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 2wbi_1_B DATA FIRST_RESID 22 DATA SEQUENCE VQTRKGQEVL IKVKHFMKQH ILPAEKEVTE FYVQNENSVD KWGKPLVIDK DATA SEQUENCE LKEMAKVEGL WNLFLPAVSG LSHVDYALIA EETGKCFFAP DVFNCQAPDT DATA SEQUENCE GNMEVLHLYG SEEQKKQWLE PLLQGNITSC FCMTEPDVAS SDATNIECSI DATA SEQUENCE QRDEDSYVIN GKKWWSSGAG NPKCKIAIVL GRTQNTSXXX XXQHSMILVP DATA SEQUENCE MNTPGVKIIR PLSVFGYTDN FHGGHFEIHF NQVRVPATNL ILGEGRGFEI DATA SEQUENCE SQGRLGPGRI HHCMRTVGLA ERALQIMCER ATQRIAFKKK LYAHEVVAHW DATA SEQUENCE IAESRIAIEK IRLLTLKAAH SMDTLGSAGA KKEIAMIKVA APRAVSKIVD DATA SEQUENCE WAIQVCGGAG VSQDYPLANM YAITRVLRLA DGPDEVHLSA IATMELRDQA DATA SEQUENCE KRL 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 22 V HA 0.000 nan 4.120 nan 0.000 0.244 22 V C 0.000 176.101 176.094 0.012 0.000 1.182 22 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 22 V CB 0.000 31.818 31.823 -0.009 0.000 1.184 23 Q N 1.697 121.503 119.800 0.009 0.000 2.417 23 Q HA 0.502 4.842 4.340 0.001 0.000 0.241 23 Q C 0.598 176.604 176.000 0.011 0.000 1.008 23 Q CA 0.185 55.996 55.803 0.014 0.000 0.901 23 Q CB 1.403 30.145 28.738 0.007 0.000 1.259 23 Q HN 0.942 nan 8.270 nan 0.000 0.489 24 T N -0.878 113.681 114.554 0.010 0.000 2.874 24 T HA 0.394 4.744 4.350 0.001 0.000 0.281 24 T C 1.206 175.904 174.700 -0.003 0.000 0.994 24 T CA 0.049 62.151 62.100 0.002 0.000 1.015 24 T CB 1.270 70.136 68.868 -0.004 0.000 1.028 24 T HN 0.781 nan 8.240 nan 0.000 0.523 25 R N 1.083 121.579 120.500 -0.006 0.000 2.081 25 R HA -0.017 4.324 4.340 0.001 0.000 0.235 25 R C 2.398 178.691 176.300 -0.011 0.000 1.131 25 R CA 2.212 58.307 56.100 -0.008 0.000 0.960 25 R CB -1.616 28.680 30.300 -0.008 0.000 0.856 25 R HN 0.831 nan 8.270 nan 0.000 0.436 26 K N -0.515 119.876 120.400 -0.015 0.000 2.026 26 K HA -0.094 4.227 4.320 0.001 0.000 0.208 26 K C 2.508 179.096 176.600 -0.021 0.000 1.048 26 K CA 1.457 57.732 56.287 -0.021 0.000 0.929 26 K CB -0.706 31.778 32.500 -0.028 0.000 0.713 26 K HN 0.466 nan 8.250 nan 0.000 0.439 27 G N 0.363 109.153 108.800 -0.017 0.000 2.505 27 G HA2 -0.407 3.554 3.960 0.001 0.000 0.220 27 G HA3 -0.407 3.554 3.960 0.001 0.000 0.220 27 G C 1.720 176.614 174.900 -0.009 0.000 1.145 27 G CA 1.889 46.983 45.100 -0.010 0.000 0.761 27 G HN 0.546 nan 8.290 nan 0.000 0.571 28 Q N -0.545 119.250 119.800 -0.008 0.000 2.084 28 Q HA 0.023 4.363 4.340 0.001 0.000 0.202 28 Q C 2.483 178.478 176.000 -0.008 0.000 0.978 28 Q CA 2.807 58.606 55.803 -0.007 0.000 0.844 28 Q CB -1.288 27.447 28.738 -0.005 0.000 0.898 28 Q HN 0.758 nan 8.270 nan 0.000 0.426 29 E N -0.033 120.160 120.200 -0.011 0.000 2.047 29 E HA -0.027 4.323 4.350 0.001 0.000 0.191 29 E C 2.345 178.936 176.600 -0.014 0.000 0.987 29 E CA 1.440 57.833 56.400 -0.012 0.000 0.799 29 E CB -0.921 28.771 29.700 -0.014 0.000 0.752 29 E HN 0.577 nan 8.360 nan 0.000 0.449 30 V N 0.408 120.307 119.914 -0.025 0.000 2.427 30 V HA -0.173 3.947 4.120 0.001 0.000 0.248 30 V C 2.641 178.707 176.094 -0.048 0.000 1.051 30 V CA 1.607 63.882 62.300 -0.043 0.000 1.048 30 V CB -0.406 31.383 31.823 -0.057 0.000 0.666 30 V HN 0.538 nan 8.190 nan 0.000 0.456 31 L N 0.191 121.395 121.223 -0.030 0.000 2.012 31 L HA -0.159 4.181 4.340 0.001 0.000 0.210 31 L C 2.192 179.063 176.870 0.002 0.000 1.073 31 L CA 1.948 56.775 54.840 -0.023 0.000 0.748 31 L CB -0.541 41.510 42.059 -0.014 0.000 0.891 31 L HN 0.219 nan 8.230 nan 0.000 0.431 32 I N -0.676 119.900 120.570 0.011 0.000 2.208 32 I HA -0.342 3.828 4.170 0.001 0.000 0.245 32 I C 2.469 178.629 176.117 0.071 0.000 1.097 32 I CA 1.466 62.787 61.300 0.034 0.000 1.363 32 I CB -0.391 37.619 38.000 0.017 0.000 1.051 32 I HN 0.291 nan 8.210 nan 0.000 0.413 33 K N 0.297 120.729 120.400 0.054 0.000 2.057 33 K HA -0.142 4.178 4.320 0.001 0.000 0.207 33 K C 2.084 178.787 176.600 0.171 0.000 1.049 33 K CA 1.289 57.639 56.287 0.106 0.000 0.931 33 K CB -0.232 32.299 32.500 0.051 0.000 0.714 33 K HN 0.139 nan 8.250 nan 0.000 0.440 34 V N 1.985 121.929 119.914 0.050 0.000 2.295 34 V HA -0.275 3.846 4.120 0.001 0.000 0.246 34 V C 2.073 178.286 176.094 0.198 0.000 1.049 34 V CA 1.736 64.058 62.300 0.038 0.000 1.024 34 V CB -0.381 31.345 31.823 -0.161 0.000 0.648 34 V HN 0.312 nan 8.190 nan 0.000 0.447 35 K N -0.583 119.898 120.400 0.136 0.000 2.032 35 K HA -0.271 4.049 4.320 0.001 0.000 0.209 35 K C 2.190 178.885 176.600 0.159 0.000 1.048 35 K CA 2.124 58.488 56.287 0.128 0.000 0.927 35 K CB -0.449 32.102 32.500 0.084 0.000 0.712 35 K HN 0.605 nan 8.250 nan 0.000 0.441 36 H N 0.103 119.233 119.070 0.099 0.000 2.319 36 H HA -0.176 4.381 4.556 0.000 0.000 0.299 36 H C 1.880 177.265 175.328 0.095 0.000 1.092 36 H CA 2.037 58.130 56.048 0.075 0.000 1.302 36 H CB -0.314 29.495 29.762 0.078 0.000 1.373 36 H HN 0.193 nan 8.280 nan 0.000 0.497 37 F N -0.336 119.666 119.950 0.087 0.000 2.134 37 F HA -0.182 4.345 4.527 0.001 0.000 0.299 37 F C 2.542 178.379 175.800 0.062 0.000 1.097 37 F CA 1.608 59.686 58.000 0.130 0.000 1.264 37 F CB -0.271 38.963 39.000 0.391 0.000 1.001 37 F HN 0.266 nan 8.300 nan 0.000 0.479 38 M N 1.249 121.039 119.600 0.316 0.000 2.080 38 M HA -0.154 4.326 4.480 0.001 0.000 0.260 38 M C 2.402 178.690 176.300 -0.020 0.000 1.068 38 M CA 2.748 58.148 55.300 0.167 0.000 1.109 38 M CB -0.631 32.067 32.600 0.163 0.000 1.342 38 M HN 0.032 nan 8.290 nan 0.000 0.405 39 K N -0.932 119.425 120.400 -0.070 0.000 2.155 39 K HA -0.119 4.201 4.320 0.001 0.000 0.203 39 K C 1.815 178.282 176.600 -0.222 0.000 1.052 39 K CA 1.908 58.124 56.287 -0.119 0.000 0.948 39 K CB -0.829 31.615 32.500 -0.094 0.000 0.728 39 K HN 0.626 nan 8.250 nan 0.000 0.448 40 Q N -1.747 117.802 119.800 -0.418 0.000 2.396 40 Q HA 0.092 4.433 4.340 0.001 0.000 0.220 40 Q C 1.561 177.147 176.000 -0.691 0.000 0.900 40 Q CA 0.775 56.199 55.803 -0.632 0.000 0.925 40 Q CB 0.572 28.704 28.738 -1.010 0.000 1.065 40 Q HN 0.815 nan 8.270 nan 0.000 0.535 41 H N -1.756 117.089 119.070 -0.375 0.000 2.258 41 H HA 0.218 4.774 4.556 0.000 0.000 0.250 41 H C 1.702 176.913 175.328 -0.195 0.000 0.908 41 H CA 0.556 56.367 56.048 -0.394 0.000 1.096 41 H CB 0.002 29.257 29.762 -0.845 0.000 1.422 41 H HN 0.097 nan 8.280 nan 0.000 0.469 42 I N 1.311 121.871 120.570 -0.016 0.000 2.133 42 I HA -0.230 3.941 4.170 0.001 0.000 0.238 42 I C 2.391 178.531 176.117 0.038 0.000 1.074 42 I CA 1.176 62.515 61.300 0.066 0.000 1.342 42 I CB -0.289 37.710 38.000 -0.002 0.000 1.053 42 I HN 0.021 nan 8.210 nan 0.000 0.404 43 L N 0.435 121.638 121.223 -0.033 0.000 2.012 43 L HA -0.150 4.190 4.340 0.001 0.000 0.210 43 L C -0.374 176.510 176.870 0.025 0.000 1.073 43 L CA 1.444 56.268 54.840 -0.026 0.000 0.748 43 L CB -2.016 40.017 42.059 -0.043 0.000 0.891 43 L HN 0.211 nan 8.230 nan 0.000 0.431 44 P HA -0.123 nan 4.420 nan 0.000 0.228 44 P C 0.955 178.286 177.300 0.052 0.000 1.151 44 P CA 1.275 64.385 63.100 0.015 0.000 0.770 44 P CB 0.027 31.716 31.700 -0.018 0.000 0.786 45 A N -0.801 122.081 122.820 0.103 0.000 2.195 45 A HA -0.013 4.307 4.320 0.001 0.000 0.210 45 A C 2.183 179.864 177.584 0.160 0.000 1.165 45 A CA 0.288 52.391 52.037 0.110 0.000 0.806 45 A CB -0.777 18.288 19.000 0.107 0.000 0.847 45 A HN 0.099 nan 8.150 nan 0.000 0.482 46 E N 0.633 121.008 120.200 0.291 0.000 2.070 46 E HA -0.266 4.084 4.350 0.001 0.000 0.197 46 E C 1.945 178.659 176.600 0.190 0.000 1.004 46 E CA 1.632 58.235 56.400 0.338 0.000 0.805 46 E CB -0.116 29.715 29.700 0.218 0.000 0.744 46 E HN 0.587 nan 8.360 nan 0.000 0.451 47 K N 0.461 120.933 120.400 0.120 0.000 2.001 47 K HA -0.278 4.043 4.320 0.001 0.000 0.214 47 K C 2.262 178.915 176.600 0.090 0.000 1.050 47 K CA 2.054 58.395 56.287 0.090 0.000 0.934 47 K CB -0.203 32.331 32.500 0.056 0.000 0.718 47 K HN 0.191 nan 8.250 nan 0.000 0.443 48 E N 0.083 120.320 120.200 0.061 0.000 2.047 48 E HA -0.158 4.192 4.350 0.001 0.000 0.191 48 E C 1.870 178.508 176.600 0.064 0.000 0.987 48 E CA 1.333 57.764 56.400 0.051 0.000 0.799 48 E CB 0.077 29.786 29.700 0.015 0.000 0.752 48 E HN 0.122 nan 8.360 nan 0.000 0.449 49 V N 1.191 121.085 119.914 -0.033 0.000 2.407 49 V HA -0.239 3.881 4.120 0.001 0.000 0.248 49 V C 2.397 178.614 176.094 0.206 0.000 1.055 49 V CA 2.120 64.353 62.300 -0.111 0.000 1.049 49 V CB -0.784 30.564 31.823 -0.791 0.000 0.662 49 V HN 0.396 nan 8.190 nan 0.000 0.455 50 T N -0.396 114.317 114.554 0.265 0.000 2.674 50 T HA -0.221 4.129 4.350 0.001 0.000 0.265 50 T C 1.799 176.682 174.700 0.306 0.000 1.039 50 T CA 1.720 64.030 62.100 0.350 0.000 1.150 50 T CB -0.300 68.731 68.868 0.271 0.000 0.864 50 T HN 0.574 nan 8.240 nan 0.000 0.427 51 E N 0.133 120.454 120.200 0.202 0.000 2.108 51 E HA -0.215 4.135 4.350 0.001 0.000 0.203 51 E C 1.828 178.520 176.600 0.152 0.000 1.022 51 E CA 1.540 58.026 56.400 0.143 0.000 0.823 51 E CB -0.335 29.431 29.700 0.110 0.000 0.744 51 E HN 0.518 nan 8.360 nan 0.000 0.456 52 F N 0.308 120.304 119.950 0.077 0.000 2.113 52 F HA -0.240 4.287 4.527 0.000 0.000 0.297 52 F C 2.349 178.203 175.800 0.089 0.000 1.103 52 F CA 1.695 59.739 58.000 0.073 0.000 1.248 52 F CB -0.443 38.615 39.000 0.097 0.000 0.999 52 F HN 0.076 nan 8.300 nan 0.000 0.475 53 Y N 0.468 120.934 120.300 0.276 0.000 2.128 53 Y HA -0.247 4.304 4.550 0.000 0.000 0.284 53 Y C 2.088 177.954 175.900 -0.057 0.000 1.154 53 Y CA 2.157 60.322 58.100 0.108 0.000 1.149 53 Y CB -1.119 37.318 38.460 -0.039 0.000 0.976 53 Y HN -0.050 nan 8.280 nan 0.000 0.505 54 V N 2.458 122.160 119.914 -0.353 0.000 2.255 54 V HA -0.386 3.734 4.120 0.001 0.000 0.247 54 V C 2.636 178.501 176.094 -0.381 0.000 1.051 54 V CA 2.553 64.590 62.300 -0.439 0.000 1.018 54 V CB -1.072 30.718 31.823 -0.056 0.000 0.641 54 V HN 0.726 nan 8.190 nan 0.000 0.445 55 Q N -0.067 119.566 119.800 -0.279 0.000 2.224 55 Q HA -0.171 4.169 4.340 0.001 0.000 0.203 55 Q C 1.360 177.150 176.000 -0.350 0.000 0.970 55 Q CA 1.706 57.350 55.803 -0.266 0.000 0.865 55 Q CB -0.422 28.193 28.738 -0.205 0.000 0.922 55 Q HN 0.623 nan 8.270 nan 0.000 0.445 56 N N 0.716 119.129 118.700 -0.479 0.000 2.280 56 N HA 0.021 4.761 4.740 0.001 0.000 0.192 56 N C -0.473 174.779 175.510 -0.429 0.000 1.109 56 N CA 0.113 52.869 53.050 -0.491 0.000 0.855 56 N CB 0.443 38.523 38.487 -0.679 0.000 0.974 56 N HN 0.244 nan 8.380 nan 0.000 0.482 57 E N 1.738 121.671 120.200 -0.445 0.000 2.366 57 E HA 0.055 4.405 4.350 0.001 0.000 0.266 57 E C 0.237 176.700 176.600 -0.228 0.000 1.015 57 E CA 0.261 56.453 56.400 -0.346 0.000 0.906 57 E CB 0.059 29.507 29.700 -0.420 0.000 0.979 57 E HN 0.043 nan 8.360 nan 0.000 0.443 58 N N 1.152 119.744 118.700 -0.179 0.000 2.965 58 N HA -0.221 4.519 4.740 0.001 0.000 0.232 58 N C -0.621 174.792 175.510 -0.162 0.000 0.913 58 N CA 1.155 54.131 53.050 -0.123 0.000 0.981 58 N CB -1.807 36.637 38.487 -0.073 0.000 1.077 58 N HN 0.417 nan 8.380 nan 0.000 0.589 59 S N 0.013 115.547 115.700 -0.277 0.000 2.552 59 S HA 0.185 4.655 4.470 0.001 0.000 0.289 59 S C 1.710 176.178 174.600 -0.221 0.000 1.304 59 S CA 0.096 58.132 58.200 -0.274 0.000 1.063 59 S CB 0.894 63.867 63.200 -0.378 0.000 0.848 59 S HN 0.112 nan 8.310 nan 0.000 0.499 60 V N 3.364 123.251 119.914 -0.046 0.000 2.626 60 V HA -0.039 4.081 4.120 0.001 0.000 0.252 60 V C 1.526 177.801 176.094 0.302 0.000 1.067 60 V CA 2.041 64.425 62.300 0.140 0.000 1.081 60 V CB -0.674 31.209 31.823 0.102 0.000 0.686 60 V HN 1.015 nan 8.190 nan 0.000 0.468 61 D N -2.000 118.454 120.400 0.091 0.000 2.539 61 D HA 0.094 4.734 4.640 0.001 0.000 0.232 61 D C 0.365 176.674 176.300 0.015 0.000 1.256 61 D CA -0.188 53.933 54.000 0.202 0.000 0.810 61 D CB -0.027 40.851 40.800 0.130 0.000 1.090 61 D HN 0.234 nan 8.370 nan 0.000 0.519 62 K N 0.488 120.633 120.400 -0.425 0.000 2.404 62 K HA 0.316 4.636 4.320 0.001 0.000 0.257 62 K C -0.884 175.381 176.600 -0.558 0.000 1.026 62 K CA -0.547 55.533 56.287 -0.345 0.000 0.951 62 K CB 0.893 33.218 32.500 -0.292 0.000 1.203 62 K HN 0.032 nan 8.250 nan 0.000 0.446 63 W N 1.422 122.770 121.300 0.080 0.000 2.846 63 W HA 0.270 4.930 4.660 0.001 0.000 0.391 63 W C 0.753 177.302 176.519 0.050 0.000 1.011 63 W CA -0.647 56.752 57.345 0.089 0.000 1.832 63 W CB 1.166 30.688 29.460 0.103 0.000 1.151 63 W HN 0.572 nan 8.180 nan 0.000 0.582 64 G N 0.657 109.561 108.800 0.173 0.000 3.209 64 G HA2 0.696 4.656 3.960 0.001 0.000 0.236 64 G HA3 0.696 4.656 3.960 0.001 0.000 0.236 64 G C -0.823 174.057 174.900 -0.033 0.000 1.329 64 G CA -0.899 44.237 45.100 0.060 0.000 1.015 64 G HN -0.197 nan 8.290 nan 0.000 0.571 65 K N 0.891 121.187 120.400 -0.173 0.000 2.375 65 K HA 0.447 4.767 4.320 0.001 0.000 0.249 65 K C -2.555 173.772 176.600 -0.454 0.000 0.942 65 K CA -1.464 54.573 56.287 -0.416 0.000 0.806 65 K CB 2.510 34.718 32.500 -0.488 0.000 1.227 65 K HN 0.335 nan 8.250 nan 0.000 0.430 66 P HA 0.098 nan 4.420 nan 0.000 0.272 66 P C 0.636 177.742 177.300 -0.322 0.000 1.230 66 P CA -0.314 62.373 63.100 -0.689 0.000 0.788 66 P CB 0.775 31.887 31.700 -0.981 0.000 0.949 67 L N 1.421 122.525 121.223 -0.198 0.000 2.131 67 L HA -0.149 4.192 4.340 0.001 0.000 0.210 67 L C 2.693 179.502 176.870 -0.101 0.000 1.092 67 L CA 0.910 55.681 54.840 -0.114 0.000 0.759 67 L CB -0.691 41.327 42.059 -0.069 0.000 0.903 67 L HN 0.236 nan 8.230 nan 0.000 0.435 68 V N 0.431 120.271 119.914 -0.123 0.000 2.380 68 V HA -0.304 3.816 4.120 0.001 0.000 0.251 68 V C 2.407 178.454 176.094 -0.079 0.000 1.063 68 V CA 1.658 63.899 62.300 -0.098 0.000 1.055 68 V CB -0.180 31.574 31.823 -0.115 0.000 0.657 68 V HN 0.280 nan 8.190 nan 0.000 0.455 69 I N 0.090 120.593 120.570 -0.112 0.000 2.264 69 I HA -0.191 3.979 4.170 0.001 0.000 0.248 69 I C 2.282 178.406 176.117 0.012 0.000 1.111 69 I CA 1.921 63.198 61.300 -0.038 0.000 1.382 69 I CB -1.432 36.536 38.000 -0.053 0.000 1.060 69 I HN 0.390 nan 8.210 nan 0.000 0.418 70 D N 0.679 121.068 120.400 -0.019 0.000 2.097 70 D HA -0.182 4.458 4.640 0.001 0.000 0.197 70 D C 2.155 178.458 176.300 0.005 0.000 0.984 70 D CA 1.079 55.080 54.000 0.002 0.000 0.826 70 D CB 0.037 40.827 40.800 -0.017 0.000 0.973 70 D HN 0.049 nan 8.370 nan 0.000 0.460 71 K N 0.122 120.516 120.400 -0.010 0.000 2.063 71 K HA -0.117 4.203 4.320 0.001 0.000 0.208 71 K C 1.888 178.500 176.600 0.020 0.000 1.048 71 K CA 0.801 57.081 56.287 -0.011 0.000 0.928 71 K CB -0.537 31.947 32.500 -0.027 0.000 0.713 71 K HN 0.016 nan 8.250 nan 0.000 0.442 72 L N 1.278 122.534 121.223 0.054 0.000 2.017 72 L HA -0.119 4.221 4.340 0.001 0.000 0.208 72 L C 2.016 179.003 176.870 0.196 0.000 1.073 72 L CA 1.813 56.743 54.840 0.150 0.000 0.745 72 L CB -0.631 41.532 42.059 0.173 0.000 0.894 72 L HN 0.182 nan 8.230 nan 0.000 0.432 73 K N -0.809 119.676 120.400 0.142 0.000 2.032 73 K HA -0.191 4.129 4.320 0.001 0.000 0.209 73 K C 1.955 178.543 176.600 -0.019 0.000 1.048 73 K CA 1.347 57.733 56.287 0.165 0.000 0.927 73 K CB -0.130 32.497 32.500 0.211 0.000 0.712 73 K HN 0.256 nan 8.250 nan 0.000 0.441 74 E N 0.716 120.889 120.200 -0.046 0.000 2.051 74 E HA -0.180 4.170 4.350 0.001 0.000 0.192 74 E C 2.028 178.596 176.600 -0.054 0.000 0.991 74 E CA 1.389 57.724 56.400 -0.109 0.000 0.799 74 E CB -0.245 29.411 29.700 -0.075 0.000 0.748 74 E HN 0.365 nan 8.360 nan 0.000 0.449 75 M N 0.465 120.092 119.600 0.045 0.000 2.080 75 M HA -0.184 4.296 4.480 0.001 0.000 0.260 75 M C 2.408 178.815 176.300 0.177 0.000 1.068 75 M CA 1.839 57.216 55.300 0.129 0.000 1.109 75 M CB -0.404 32.297 32.600 0.168 0.000 1.342 75 M HN 0.096 nan 8.290 nan 0.000 0.405 76 A N 0.401 123.303 122.820 0.137 0.000 1.908 76 A HA -0.210 4.110 4.320 0.001 0.000 0.218 76 A C 2.113 179.716 177.584 0.031 0.000 1.181 76 A CA 1.920 53.959 52.037 0.004 0.000 0.627 76 A CB -0.621 18.437 19.000 0.096 0.000 0.818 76 A HN 0.438 nan 8.150 nan 0.000 0.445 77 K N -0.643 119.674 120.400 -0.138 0.000 2.044 77 K HA -0.122 4.199 4.320 0.001 0.000 0.210 77 K C 1.901 178.425 176.600 -0.126 0.000 1.049 77 K CA 1.565 57.669 56.287 -0.305 0.000 0.927 77 K CB -0.450 31.707 32.500 -0.571 0.000 0.713 77 K HN 0.297 nan 8.250 nan 0.000 0.443 78 V N 1.741 121.612 119.914 -0.071 0.000 2.343 78 V HA -0.223 3.898 4.120 0.001 0.000 0.247 78 V C 1.589 177.695 176.094 0.020 0.000 1.051 78 V CA 1.780 64.067 62.300 -0.022 0.000 1.036 78 V CB -0.339 31.484 31.823 -0.000 0.000 0.654 78 V HN 0.347 nan 8.190 nan 0.000 0.451 79 E N -0.548 119.687 120.200 0.060 0.000 2.502 79 E HA 0.167 4.517 4.350 0.001 0.000 0.194 79 E C 1.631 178.259 176.600 0.046 0.000 1.062 79 E CA 0.531 56.978 56.400 0.078 0.000 0.867 79 E CB 0.033 29.826 29.700 0.156 0.000 0.888 79 E HN 0.666 nan 8.360 nan 0.000 0.510 80 G N 1.516 110.337 108.800 0.034 0.000 2.162 80 G HA2 -0.308 3.652 3.960 0.001 0.000 0.260 80 G HA3 -0.308 3.652 3.960 0.001 0.000 0.260 80 G C 0.306 175.249 174.900 0.072 0.000 0.976 80 G CA -0.020 45.107 45.100 0.045 0.000 0.655 80 G HN 0.254 nan 8.290 nan 0.000 0.533 81 L N 0.354 121.617 121.223 0.066 0.000 2.395 81 L HA 0.472 4.812 4.340 0.001 0.000 0.268 81 L C 0.138 177.181 176.870 0.289 0.000 1.223 81 L CA -0.419 54.424 54.840 0.006 0.000 1.093 81 L CB 0.008 41.946 42.059 -0.202 0.000 1.349 81 L HN 0.333 nan 8.230 nan 0.000 0.427 82 W N 4.718 126.005 121.300 -0.021 0.000 3.827 82 W HA 0.105 4.766 4.660 0.001 0.000 0.307 82 W C -0.379 176.152 176.519 0.020 0.000 1.204 82 W CA -0.644 56.735 57.345 0.056 0.000 1.250 82 W CB 1.587 31.072 29.460 0.041 0.000 1.281 82 W HN 0.494 nan 8.180 nan 0.000 0.494 83 N N 3.594 122.096 118.700 -0.330 0.000 2.741 83 N HA -0.249 4.491 4.740 0.001 0.000 0.250 83 N C 1.006 176.315 175.510 -0.336 0.000 1.115 83 N CA 1.586 54.496 53.050 -0.234 0.000 0.724 83 N CB -1.588 36.746 38.487 -0.255 0.000 1.090 83 N HN 0.583 nan 8.380 nan 0.000 0.558 84 L N -0.647 120.463 121.223 -0.188 0.000 2.263 84 L HA -0.177 4.163 4.340 0.001 0.000 0.216 84 L C 2.250 178.740 176.870 -0.634 0.000 1.111 84 L CA 1.745 56.423 54.840 -0.271 0.000 0.773 84 L CB -0.646 41.356 42.059 -0.094 0.000 0.906 84 L HN 0.370 nan 8.230 nan 0.000 0.439 85 F N -1.435 117.962 119.950 -0.922 0.000 2.604 85 F HA 0.082 4.609 4.527 -0.000 0.000 0.298 85 F C 0.853 176.249 175.800 -0.674 0.000 1.131 85 F CA 0.089 57.256 58.000 -1.390 0.000 1.457 85 F CB -0.033 38.346 39.000 -1.035 0.000 1.095 85 F HN -0.121 nan 8.300 nan 0.000 0.574 86 L N 3.361 123.757 121.223 -1.379 0.000 2.301 86 L HA 0.425 4.765 4.340 0.001 0.000 0.278 86 L C -1.837 174.659 176.870 -0.625 0.000 1.022 86 L CA -2.659 51.541 54.840 -1.066 0.000 0.854 86 L CB 0.927 42.174 42.059 -1.354 0.000 1.226 86 L HN -0.177 nan 8.230 nan 0.000 0.429 87 P HA -0.185 nan 4.420 nan 0.000 0.215 87 P C 1.361 178.500 177.300 -0.270 0.000 1.163 87 P CA 2.102 64.989 63.100 -0.355 0.000 0.894 87 P CB 0.328 31.819 31.700 -0.349 0.000 0.791 88 A N -1.491 121.172 122.820 -0.261 0.000 2.234 88 A HA -0.090 4.231 4.320 0.001 0.000 0.216 88 A C 2.037 179.544 177.584 -0.128 0.000 1.167 88 A CA 1.547 53.501 52.037 -0.138 0.000 0.698 88 A CB -1.162 17.830 19.000 -0.013 0.000 0.779 88 A HN 0.126 nan 8.150 nan 0.000 0.475 89 V N -0.978 118.809 119.914 -0.212 0.000 2.911 89 V HA -0.055 4.065 4.120 0.001 0.000 0.237 89 V C 2.569 178.568 176.094 -0.157 0.000 1.156 89 V CA 1.426 63.627 62.300 -0.165 0.000 1.180 89 V CB 0.047 31.749 31.823 -0.203 0.000 0.932 89 V HN 0.665 nan 8.190 nan 0.000 0.483 90 S N 0.753 116.317 115.700 -0.225 0.000 2.461 90 S HA 0.133 4.603 4.470 0.001 0.000 0.228 90 S C 1.771 176.286 174.600 -0.140 0.000 1.005 90 S CA 0.876 58.963 58.200 -0.188 0.000 0.942 90 S CB 0.054 63.097 63.200 -0.262 0.000 0.776 90 S HN 1.289 nan 8.310 nan 0.000 0.514 91 G N 1.079 109.791 108.800 -0.147 0.000 2.179 91 G HA2 -0.236 3.724 3.960 0.001 0.000 0.257 91 G HA3 -0.236 3.724 3.960 0.001 0.000 0.257 91 G C -0.159 174.672 174.900 -0.116 0.000 1.010 91 G CA 0.580 45.612 45.100 -0.115 0.000 0.736 91 G HN 0.557 nan 8.290 nan 0.000 0.513 92 L N 0.944 122.075 121.223 -0.154 0.000 2.325 92 L HA 0.628 4.968 4.340 0.001 0.000 0.278 92 L C 1.235 178.000 176.870 -0.174 0.000 1.023 92 L CA -0.447 54.316 54.840 -0.129 0.000 0.811 92 L CB 1.794 43.790 42.059 -0.106 0.000 1.249 92 L HN 0.370 nan 8.230 nan 0.000 0.431 93 S N -0.645 114.986 115.700 -0.115 0.000 2.624 93 S HA 0.148 4.618 4.470 0.001 0.000 0.263 93 S C 0.885 175.419 174.600 -0.111 0.000 1.287 93 S CA -0.333 57.784 58.200 -0.139 0.000 0.990 93 S CB 0.691 63.873 63.200 -0.030 0.000 0.950 93 S HN 0.638 nan 8.310 nan 0.000 0.561 94 H N 0.169 119.280 119.070 0.069 0.000 2.353 94 H HA -0.033 4.524 4.556 0.001 0.000 0.300 94 H C 1.951 177.358 175.328 0.132 0.000 1.090 94 H CA 1.647 57.773 56.048 0.129 0.000 1.327 94 H CB -0.439 29.380 29.762 0.094 0.000 1.383 94 H HN 0.354 nan 8.280 nan 0.000 0.508 95 V N 1.153 121.189 119.914 0.203 0.000 2.252 95 V HA -0.311 3.809 4.120 0.001 0.000 0.249 95 V C 1.857 178.011 176.094 0.099 0.000 1.056 95 V CA 2.162 64.545 62.300 0.139 0.000 1.022 95 V CB -0.386 31.515 31.823 0.130 0.000 0.641 95 V HN 0.521 nan 8.190 nan 0.000 0.445 96 D N -1.116 119.332 120.400 0.081 0.000 2.133 96 D HA -0.231 4.409 4.640 0.001 0.000 0.195 96 D C 1.964 178.324 176.300 0.099 0.000 0.997 96 D CA 1.837 55.873 54.000 0.060 0.000 0.840 96 D CB -0.307 40.511 40.800 0.030 0.000 0.947 96 D HN 0.608 nan 8.370 nan 0.000 0.452 97 Y N 1.353 121.651 120.300 -0.003 0.000 2.314 97 Y HA 0.050 4.601 4.550 0.000 0.000 0.293 97 Y C 2.205 178.123 175.900 0.030 0.000 1.129 97 Y CA 0.829 58.929 58.100 0.000 0.000 1.201 97 Y CB -0.414 38.056 38.460 0.016 0.000 0.999 97 Y HN -0.064 nan 8.280 nan 0.000 0.541 98 A N 0.435 123.234 122.820 -0.035 0.000 1.892 98 A HA -0.213 4.107 4.320 0.001 0.000 0.218 98 A C 2.255 179.752 177.584 -0.144 0.000 1.188 98 A CA 2.137 54.113 52.037 -0.102 0.000 0.631 98 A CB -1.187 17.822 19.000 0.015 0.000 0.822 98 A HN 0.516 nan 8.150 nan 0.000 0.447 99 L N -0.823 120.350 121.223 -0.083 0.000 2.056 99 L HA -0.157 4.184 4.340 0.001 0.000 0.207 99 L C 2.464 179.269 176.870 -0.107 0.000 1.078 99 L CA 1.285 56.083 54.840 -0.070 0.000 0.749 99 L CB -0.453 41.587 42.059 -0.032 0.000 0.901 99 L HN 0.370 nan 8.230 nan 0.000 0.433 100 I N -0.312 120.174 120.570 -0.141 0.000 2.179 100 I HA -0.303 3.867 4.170 0.001 0.000 0.242 100 I C 2.744 178.714 176.117 -0.245 0.000 1.088 100 I CA 1.338 62.545 61.300 -0.156 0.000 1.357 100 I CB -0.502 37.449 38.000 -0.082 0.000 1.051 100 I HN 0.198 nan 8.210 nan 0.000 0.409 101 A N 0.090 122.592 122.820 -0.531 0.000 1.933 101 A HA -0.278 4.042 4.320 0.001 0.000 0.218 101 A C 2.314 179.775 177.584 -0.206 0.000 1.175 101 A CA 1.918 53.661 52.037 -0.489 0.000 0.628 101 A CB -0.730 17.795 19.000 -0.792 0.000 0.814 101 A HN 0.534 nan 8.150 nan 0.000 0.444 102 E N -0.413 119.689 120.200 -0.164 0.000 2.097 102 E HA -0.303 4.048 4.350 0.001 0.000 0.196 102 E C 1.874 178.445 176.600 -0.047 0.000 1.000 102 E CA 1.723 58.075 56.400 -0.080 0.000 0.804 102 E CB -0.121 29.543 29.700 -0.060 0.000 0.740 102 E HN 0.592 nan 8.360 nan 0.000 0.454 103 E N -0.373 119.801 120.200 -0.044 0.000 2.106 103 E HA -0.129 4.222 4.350 0.001 0.000 0.192 103 E C 2.083 178.694 176.600 0.019 0.000 0.984 103 E CA 1.827 58.225 56.400 -0.002 0.000 0.806 103 E CB -0.249 29.460 29.700 0.014 0.000 0.750 103 E HN 0.486 nan 8.360 nan 0.000 0.458 104 T N -2.844 111.726 114.554 0.027 0.000 2.915 104 T HA -0.069 4.281 4.350 0.001 0.000 0.269 104 T C 2.021 176.717 174.700 -0.006 0.000 1.071 104 T CA 1.091 63.223 62.100 0.053 0.000 1.132 104 T CB -0.638 68.293 68.868 0.104 0.000 0.878 104 T HN 0.170 nan 8.240 nan 0.000 0.479 105 G N 1.329 110.121 108.800 -0.013 0.000 2.498 105 G HA2 -0.091 3.869 3.960 0.001 0.000 0.219 105 G HA3 -0.091 3.869 3.960 0.001 0.000 0.219 105 G C 1.528 176.423 174.900 -0.009 0.000 1.119 105 G CA 0.252 45.348 45.100 -0.007 0.000 0.766 105 G HN 0.570 nan 8.290 nan 0.000 0.552 106 K N -0.970 119.417 120.400 -0.021 0.000 2.487 106 K HA 0.201 4.521 4.320 0.001 0.000 0.192 106 K C -0.028 176.539 176.600 -0.056 0.000 1.027 106 K CA -0.185 56.089 56.287 -0.022 0.000 1.054 106 K CB 0.168 32.658 32.500 -0.016 0.000 0.824 106 K HN 0.236 nan 8.250 nan 0.000 0.510 107 C N 0.222 119.457 119.300 -0.108 0.000 2.701 107 C HA 0.276 4.736 4.460 0.001 0.000 0.336 107 C C 1.078 175.928 174.990 -0.232 0.000 1.123 107 C CA -1.437 57.435 59.018 -0.244 0.000 1.326 107 C CB 0.004 27.442 27.740 -0.503 0.000 1.833 107 C HN 0.586 nan 8.230 nan 0.000 0.473 108 F N 3.368 123.215 119.950 -0.172 0.000 2.365 108 F HA 0.122 4.649 4.527 0.000 0.000 0.300 108 F C 0.982 176.878 175.800 0.161 0.000 1.090 108 F CA 1.139 59.136 58.000 -0.005 0.000 1.408 108 F CB -0.561 38.428 39.000 -0.020 0.000 1.060 108 F HN 0.525 nan 8.300 nan 0.000 0.534 109 F N -1.091 118.474 119.950 -0.643 0.000 2.678 109 F HA 0.696 5.223 4.527 0.000 0.000 0.305 109 F C 1.765 177.489 175.800 -0.127 0.000 1.090 109 F CA -0.583 57.236 58.000 -0.301 0.000 1.272 109 F CB -1.138 37.539 39.000 -0.538 0.000 1.060 109 F HN 0.002 nan 8.300 nan 0.000 0.576 110 A N 1.809 124.386 122.820 -0.404 0.000 1.873 110 A HA 0.037 4.357 4.320 0.001 0.000 0.215 110 A C -0.105 177.392 177.584 -0.145 0.000 1.186 110 A CA 1.327 53.176 52.037 -0.314 0.000 0.616 110 A CB -1.899 16.953 19.000 -0.247 0.000 0.823 110 A HN 0.305 nan 8.150 nan 0.000 0.442 111 P HA -0.133 nan 4.420 nan 0.000 0.218 111 P C 0.210 177.520 177.300 0.016 0.000 1.148 111 P CA 1.647 64.775 63.100 0.048 0.000 0.822 111 P CB -0.208 31.514 31.700 0.037 0.000 0.784 112 D N -1.072 119.364 120.400 0.060 0.000 2.117 112 D HA -0.117 4.524 4.640 0.001 0.000 0.197 112 D C 1.835 178.152 176.300 0.027 0.000 0.987 112 D CA 0.863 54.909 54.000 0.076 0.000 0.829 112 D CB -0.801 40.126 40.800 0.212 0.000 0.961 112 D HN -0.050 nan 8.370 nan 0.000 0.460 113 V N 0.231 120.120 119.914 -0.042 0.000 2.490 113 V HA -0.199 3.922 4.120 0.001 0.000 0.250 113 V C 1.081 177.123 176.094 -0.086 0.000 1.061 113 V CA 1.260 63.501 62.300 -0.098 0.000 1.064 113 V CB -0.425 31.212 31.823 -0.309 0.000 0.670 113 V HN 0.192 nan 8.190 nan 0.000 0.461 114 F N -0.440 119.535 119.950 0.042 0.000 2.641 114 F HA 0.371 4.898 4.527 0.000 0.000 0.302 114 F C 1.107 176.655 175.800 -0.420 0.000 1.098 114 F CA -0.669 57.302 58.000 -0.048 0.000 1.318 114 F CB -1.275 37.708 39.000 -0.029 0.000 1.035 114 F HN 0.198 nan 8.300 nan 0.000 0.551 115 N N -0.648 117.794 118.700 -0.431 0.000 2.727 115 N HA -0.236 4.505 4.740 0.001 0.000 0.251 115 N C -0.055 175.228 175.510 -0.377 0.000 1.040 115 N CA 0.543 53.202 53.050 -0.652 0.000 0.712 115 N CB -1.453 36.075 38.487 -1.599 0.000 0.912 115 N HN 0.289 nan 8.380 nan 0.000 0.545 116 C N 0.099 119.268 119.300 -0.219 0.000 3.240 116 C HA 0.189 4.649 4.460 0.001 0.000 0.271 116 C C 0.516 175.346 174.990 -0.266 0.000 1.534 116 C CA -0.472 58.397 59.018 -0.249 0.000 1.796 116 C CB -0.698 27.070 27.740 0.045 0.000 2.892 116 C HN 0.539 nan 8.230 nan 0.000 0.566 117 Q N 1.426 121.102 119.800 -0.208 0.000 2.306 117 Q HA 0.645 4.985 4.340 0.001 0.000 0.241 117 Q C -0.327 175.569 176.000 -0.174 0.000 0.948 117 Q CA 0.182 55.910 55.803 -0.124 0.000 0.886 117 Q CB 1.343 30.078 28.738 -0.005 0.000 1.227 117 Q HN 0.316 nan 8.270 nan 0.000 0.457 118 A N 3.056 125.806 122.820 -0.117 0.000 2.302 118 A HA 0.480 4.801 4.320 0.001 0.000 0.285 118 A C -1.641 175.956 177.584 0.022 0.000 1.105 118 A CA -1.263 50.728 52.037 -0.077 0.000 0.816 118 A CB 0.094 19.048 19.000 -0.078 0.000 1.067 118 A HN 0.808 nan 8.150 nan 0.000 0.489 119 P HA 0.067 nan 4.420 nan 0.000 0.257 119 P C -0.115 177.173 177.300 -0.020 0.000 1.325 119 P CA 0.268 63.397 63.100 0.048 0.000 0.850 119 P CB 0.379 32.166 31.700 0.145 0.000 1.324 120 D N 0.329 120.692 120.400 -0.061 0.000 2.149 120 D HA -0.098 4.543 4.640 0.001 0.000 0.201 120 D C 1.931 178.123 176.300 -0.180 0.000 0.972 120 D CA 1.906 55.855 54.000 -0.084 0.000 0.835 120 D CB -0.523 40.236 40.800 -0.069 0.000 0.966 120 D HN 0.290 nan 8.370 nan 0.000 0.476 121 T N -0.933 113.404 114.554 -0.362 0.000 2.684 121 T HA -0.119 4.232 4.350 0.001 0.000 0.267 121 T C 2.218 176.806 174.700 -0.187 0.000 1.036 121 T CA 1.562 63.293 62.100 -0.614 0.000 1.148 121 T CB -0.975 67.327 68.868 -0.943 0.000 0.863 121 T HN 0.112 nan 8.240 nan 0.000 0.436 122 G N 1.990 110.709 108.800 -0.134 0.000 2.421 122 G HA2 -0.234 3.726 3.960 0.001 0.000 0.216 122 G HA3 -0.234 3.726 3.960 0.001 0.000 0.216 122 G C 1.734 176.576 174.900 -0.096 0.000 1.171 122 G CA 0.725 45.761 45.100 -0.107 0.000 0.775 122 G HN 0.469 nan 8.290 nan 0.000 0.543 123 N N 0.374 119.020 118.700 -0.089 0.000 2.120 123 N HA -0.056 4.685 4.740 0.001 0.000 0.188 123 N C 2.315 177.851 175.510 0.043 0.000 1.024 123 N CA 1.008 54.038 53.050 -0.034 0.000 0.852 123 N CB -0.351 38.136 38.487 0.001 0.000 1.003 123 N HN 0.329 nan 8.380 nan 0.000 0.424 124 M N 1.032 120.674 119.600 0.071 0.000 2.067 124 M HA -0.178 4.302 4.480 0.001 0.000 0.260 124 M C 2.520 178.919 176.300 0.166 0.000 1.069 124 M CA 2.179 57.570 55.300 0.152 0.000 1.117 124 M CB -0.645 32.095 32.600 0.234 0.000 1.334 124 M HN 0.306 nan 8.290 nan 0.000 0.407 125 E N 0.047 120.340 120.200 0.155 0.000 2.097 125 E HA -0.144 4.206 4.350 0.001 0.000 0.196 125 E C 1.934 178.597 176.600 0.105 0.000 1.000 125 E CA 1.998 58.467 56.400 0.114 0.000 0.804 125 E CB -1.404 28.352 29.700 0.093 0.000 0.740 125 E HN 0.386 nan 8.360 nan 0.000 0.454 126 V N 0.524 120.504 119.914 0.110 0.000 2.332 126 V HA -0.241 3.879 4.120 0.001 0.000 0.248 126 V C 2.739 178.967 176.094 0.224 0.000 1.055 126 V CA 1.939 64.362 62.300 0.204 0.000 1.038 126 V CB -0.382 31.515 31.823 0.125 0.000 0.651 126 V HN 0.565 nan 8.190 nan 0.000 0.450 127 L N -0.855 120.466 121.223 0.164 0.000 2.056 127 L HA -0.168 4.173 4.340 0.001 0.000 0.207 127 L C 2.624 179.564 176.870 0.117 0.000 1.078 127 L CA 1.759 56.694 54.840 0.157 0.000 0.749 127 L CB -0.902 41.258 42.059 0.169 0.000 0.901 127 L HN 0.456 nan 8.230 nan 0.000 0.433 128 H N 0.704 119.785 119.070 0.018 0.000 2.352 128 H HA -0.163 4.393 4.556 0.000 0.000 0.299 128 H C 2.114 177.376 175.328 -0.110 0.000 1.097 128 H CA 1.879 57.908 56.048 -0.032 0.000 1.311 128 H CB 0.182 29.921 29.762 -0.039 0.000 1.377 128 H HN 0.292 nan 8.280 nan 0.000 0.504 129 L N -0.894 120.249 121.223 -0.133 0.000 2.249 129 L HA -0.069 4.271 4.340 0.001 0.000 0.207 129 L C 1.506 178.054 176.870 -0.537 0.000 1.090 129 L CA 0.526 55.094 54.840 -0.453 0.000 0.802 129 L CB -0.011 41.538 42.059 -0.850 0.000 0.947 129 L HN 0.198 nan 8.230 nan 0.000 0.453 130 Y N -1.153 119.163 120.300 0.027 0.000 2.423 130 Y HA 0.355 4.907 4.550 0.003 0.000 0.257 130 Y C 1.521 177.436 175.900 0.025 0.000 1.087 130 Y CA -0.722 57.391 58.100 0.022 0.000 1.258 130 Y CB -0.426 38.050 38.460 0.027 0.000 1.237 130 Y HN -0.074 nan 8.280 nan 0.000 0.517 131 G N 1.435 110.325 108.800 0.149 0.000 2.432 131 G HA2 0.300 4.261 3.960 0.001 0.000 0.239 131 G HA3 0.300 4.261 3.960 0.001 0.000 0.239 131 G C 0.367 175.318 174.900 0.085 0.000 1.291 131 G CA 0.005 45.181 45.100 0.126 0.000 0.863 131 G HN 0.258 nan 8.290 nan 0.000 0.560 132 S N 1.427 117.183 115.700 0.094 0.000 2.608 132 S HA 0.149 4.619 4.470 0.001 0.000 0.261 132 S C 1.172 175.806 174.600 0.057 0.000 1.314 132 S CA -0.230 58.011 58.200 0.069 0.000 0.992 132 S CB 1.284 64.529 63.200 0.075 0.000 0.935 132 S HN 0.596 nan 8.310 nan 0.000 0.564 133 E N 1.402 121.624 120.200 0.036 0.000 2.085 133 E HA -0.122 4.228 4.350 0.001 0.000 0.194 133 E C 2.664 179.281 176.600 0.029 0.000 0.994 133 E CA 1.892 58.306 56.400 0.023 0.000 0.801 133 E CB -1.214 28.492 29.700 0.011 0.000 0.743 133 E HN 0.937 nan 8.360 nan 0.000 0.453 134 E N 1.552 121.774 120.200 0.036 0.000 2.051 134 E HA -0.232 4.118 4.350 0.001 0.000 0.192 134 E C 1.949 178.581 176.600 0.052 0.000 0.991 134 E CA 1.628 58.047 56.400 0.031 0.000 0.799 134 E CB -0.785 28.938 29.700 0.039 0.000 0.748 134 E HN 0.403 nan 8.360 nan 0.000 0.449 135 Q N -0.298 119.572 119.800 0.116 0.000 2.096 135 Q HA -0.168 4.172 4.340 0.001 0.000 0.204 135 Q C 2.520 178.643 176.000 0.206 0.000 0.982 135 Q CA 1.897 57.835 55.803 0.225 0.000 0.850 135 Q CB -0.147 28.730 28.738 0.231 0.000 0.901 135 Q HN 0.510 nan 8.270 nan 0.000 0.422 136 K N 0.487 120.962 120.400 0.125 0.000 2.002 136 K HA -0.168 4.152 4.320 0.001 0.000 0.209 136 K C 2.491 179.126 176.600 0.059 0.000 1.048 136 K CA 1.744 58.093 56.287 0.103 0.000 0.930 136 K CB -0.280 32.255 32.500 0.057 0.000 0.714 136 K HN 0.102 nan 8.250 nan 0.000 0.438 137 K N 1.471 121.878 120.400 0.011 0.000 2.152 137 K HA -0.225 4.096 4.320 0.001 0.000 0.206 137 K C 1.851 178.389 176.600 -0.103 0.000 1.048 137 K CA 1.899 58.167 56.287 -0.031 0.000 0.933 137 K CB -0.642 31.835 32.500 -0.038 0.000 0.721 137 K HN 0.348 nan 8.250 nan 0.000 0.447 138 Q N -2.782 116.904 119.800 -0.190 0.000 2.250 138 Q HA 0.016 4.357 4.340 0.001 0.000 0.200 138 Q C 1.532 177.142 176.000 -0.650 0.000 0.941 138 Q CA 1.241 56.730 55.803 -0.524 0.000 0.872 138 Q CB 0.134 28.429 28.738 -0.739 0.000 0.965 138 Q HN 0.855 nan 8.270 nan 0.000 0.480 139 W N -1.591 119.743 121.300 0.056 0.000 3.638 139 W HA 0.121 4.781 4.660 0.001 0.000 0.226 139 W C 1.465 178.026 176.519 0.071 0.000 1.065 139 W CA -0.569 56.815 57.345 0.064 0.000 1.751 139 W CB -0.322 29.178 29.460 0.068 0.000 0.873 139 W HN 0.022 nan 8.180 nan 0.000 0.786 140 L N 1.652 123.049 121.223 0.290 0.000 2.042 140 L HA -0.166 4.174 4.340 0.001 0.000 0.210 140 L C 2.196 179.165 176.870 0.165 0.000 1.076 140 L CA 2.240 57.205 54.840 0.208 0.000 0.749 140 L CB -0.780 41.380 42.059 0.168 0.000 0.893 140 L HN 0.097 nan 8.230 nan 0.000 0.432 141 E N -0.734 119.539 120.200 0.121 0.000 2.031 141 E HA -0.181 4.169 4.350 0.001 0.000 0.193 141 E C -0.496 176.172 176.600 0.114 0.000 0.994 141 E CA 1.527 57.984 56.400 0.095 0.000 0.800 141 E CB -0.740 28.988 29.700 0.047 0.000 0.752 141 E HN 0.389 nan 8.360 nan 0.000 0.447 142 P HA -0.155 nan 4.420 nan 0.000 0.216 142 P C 1.264 178.665 177.300 0.167 0.000 1.150 142 P CA 1.111 64.284 63.100 0.121 0.000 0.837 142 P CB -0.023 31.744 31.700 0.111 0.000 0.786 143 L N -1.399 119.938 121.223 0.189 0.000 2.046 143 L HA -0.153 4.187 4.340 0.001 0.000 0.208 143 L C 2.439 179.421 176.870 0.187 0.000 1.077 143 L CA 1.276 56.224 54.840 0.181 0.000 0.747 143 L CB -0.934 41.230 42.059 0.174 0.000 0.896 143 L HN -0.068 nan 8.230 nan 0.000 0.432 144 L N -0.579 120.761 121.223 0.195 0.000 2.265 144 L HA -0.209 4.131 4.340 0.001 0.000 0.215 144 L C 2.443 179.544 176.870 0.386 0.000 1.117 144 L CA 0.876 55.851 54.840 0.226 0.000 0.782 144 L CB -0.348 41.821 42.059 0.182 0.000 0.914 144 L HN 0.419 nan 8.230 nan 0.000 0.441 145 Q N -0.455 119.541 119.800 0.326 0.000 2.408 145 Q HA 0.114 4.455 4.340 0.001 0.000 0.205 145 Q C 1.467 177.725 176.000 0.430 0.000 0.919 145 Q CA 0.823 56.834 55.803 0.347 0.000 0.932 145 Q CB 0.509 29.348 28.738 0.168 0.000 1.058 145 Q HN 0.516 nan 8.270 nan 0.000 0.517 146 G N 2.082 111.116 108.800 0.390 0.000 2.176 146 G HA2 -0.268 3.693 3.960 0.001 0.000 0.252 146 G HA3 -0.268 3.693 3.960 0.001 0.000 0.252 146 G C 0.611 175.638 174.900 0.212 0.000 1.024 146 G CA 0.553 45.853 45.100 0.334 0.000 0.755 146 G HN 0.261 nan 8.290 nan 0.000 0.507 147 N N -0.214 118.588 118.700 0.170 0.000 2.207 147 N HA 0.118 4.858 4.740 0.001 0.000 0.182 147 N C 1.504 177.083 175.510 0.115 0.000 1.020 147 N CA 1.537 54.659 53.050 0.120 0.000 0.858 147 N CB 0.053 38.598 38.487 0.097 0.000 0.991 147 N HN 0.902 nan 8.380 nan 0.000 0.427 148 I N -2.234 118.418 120.570 0.136 0.000 3.023 148 I HA 0.569 4.739 4.170 0.001 0.000 0.312 148 I C 0.041 176.233 176.117 0.125 0.000 1.056 148 I CA -0.906 60.475 61.300 0.136 0.000 1.033 148 I CB 2.152 40.263 38.000 0.185 0.000 1.233 148 I HN -0.137 nan 8.210 nan 0.000 0.462 149 T N -0.208 114.409 114.554 0.105 0.000 2.910 149 T HA 0.819 5.170 4.350 0.001 0.000 0.287 149 T C -0.228 174.517 174.700 0.076 0.000 1.050 149 T CA -0.449 61.702 62.100 0.086 0.000 1.011 149 T CB 1.496 70.406 68.868 0.071 0.000 1.195 149 T HN 0.983 nan 8.240 nan 0.000 0.540 150 S N -0.972 114.765 115.700 0.062 0.000 2.661 150 S HA 0.834 5.304 4.470 0.001 0.000 0.285 150 S C -0.461 174.180 174.600 0.070 0.000 1.138 150 S CA -0.820 57.409 58.200 0.048 0.000 0.855 150 S CB 0.854 64.078 63.200 0.040 0.000 1.136 150 S HN 1.684 nan 8.310 nan 0.000 0.484 151 C N -0.210 119.142 119.300 0.086 0.000 2.898 151 C HA 0.891 5.351 4.460 0.001 0.000 0.304 151 C C -1.048 174.076 174.990 0.223 0.000 1.237 151 C CA -0.976 58.129 59.018 0.144 0.000 1.529 151 C CB 0.403 28.215 27.740 0.119 0.000 2.021 151 C HN 0.833 nan 8.230 nan 0.000 0.474 152 F N 1.838 121.831 119.950 0.071 0.000 2.420 152 F HA 0.683 5.209 4.527 -0.001 0.000 0.342 152 F C -0.322 175.533 175.800 0.092 0.000 1.113 152 F CA -1.506 56.531 58.000 0.062 0.000 1.059 152 F CB 1.015 40.053 39.000 0.062 0.000 1.128 152 F HN 0.893 nan 8.300 nan 0.000 0.475 153 C N 8.351 127.443 119.300 -0.347 0.000 2.335 153 C HA 0.425 4.885 4.460 0.001 0.000 0.318 153 C C 0.883 175.571 174.990 -0.502 0.000 1.150 153 C CA -0.511 58.333 59.018 -0.291 0.000 1.466 153 C CB -0.045 27.671 27.740 -0.039 0.000 2.024 153 C HN 1.124 nan 8.230 nan 0.000 0.429 154 M N 1.367 120.663 119.600 -0.507 0.000 2.583 154 M HA 0.136 4.617 4.480 0.001 0.000 0.217 154 M C 0.635 176.868 176.300 -0.111 0.000 1.655 154 M CA 0.855 55.919 55.300 -0.395 0.000 1.114 154 M CB 0.419 32.680 32.600 -0.565 0.000 1.384 154 M HN 0.541 nan 8.290 nan 0.000 0.562 155 T N 2.680 117.235 114.554 0.001 0.000 2.888 155 T HA 0.146 4.496 4.350 0.001 0.000 0.301 155 T C -0.669 174.229 174.700 0.329 0.000 1.001 155 T CA 0.268 62.480 62.100 0.186 0.000 1.147 155 T CB 0.356 69.383 68.868 0.264 0.000 0.931 155 T HN 0.299 nan 8.240 nan 0.000 0.541 156 E N 3.879 124.242 120.200 0.270 0.000 2.210 156 E HA 0.216 4.566 4.350 0.001 0.000 0.266 156 E C -1.683 174.910 176.600 -0.011 0.000 0.883 156 E CA -2.361 54.121 56.400 0.138 0.000 0.761 156 E CB 1.972 31.698 29.700 0.043 0.000 1.156 156 E HN 0.300 nan 8.360 nan 0.000 0.412 157 P HA -0.154 nan 4.420 nan 0.000 0.217 157 P C 0.228 177.327 177.300 -0.333 0.000 1.150 157 P CA 1.196 63.789 63.100 -0.846 0.000 0.832 157 P CB 0.374 31.313 31.700 -1.267 0.000 0.787 158 D N -0.290 119.985 120.400 -0.209 0.000 2.340 158 D HA 0.054 4.695 4.640 0.001 0.000 0.220 158 D C 0.814 177.077 176.300 -0.062 0.000 1.039 158 D CA 0.472 54.395 54.000 -0.129 0.000 0.866 158 D CB 0.549 41.282 40.800 -0.113 0.000 0.913 158 D HN 0.189 nan 8.370 nan 0.000 0.523 159 V N -2.906 116.989 119.914 -0.032 0.000 3.007 159 V HA 0.756 4.876 4.120 0.001 0.000 0.311 159 V C -0.400 175.712 176.094 0.030 0.000 1.120 159 V CA -1.676 60.624 62.300 -0.001 0.000 0.980 159 V CB 1.708 33.532 31.823 0.002 0.000 1.033 159 V HN -0.092 nan 8.190 nan 0.000 0.429 160 A N 1.904 124.740 122.820 0.026 0.000 2.489 160 A HA 0.457 4.777 4.320 0.001 0.000 0.289 160 A C 1.077 178.677 177.584 0.026 0.000 1.216 160 A CA 0.350 52.407 52.037 0.034 0.000 0.883 160 A CB -0.376 18.633 19.000 0.016 0.000 1.110 160 A HN 1.110 nan 8.150 nan 0.000 0.523 161 S N 1.373 117.102 115.700 0.050 0.000 2.603 161 S HA -0.079 4.391 4.470 0.001 0.000 0.220 161 S C 2.086 176.682 174.600 -0.005 0.000 0.967 161 S CA 0.838 59.057 58.200 0.032 0.000 0.920 161 S CB -0.040 63.209 63.200 0.082 0.000 0.773 161 S HN 1.028 nan 8.310 nan 0.000 0.529 162 S N 1.220 116.910 115.700 -0.016 0.000 2.423 162 S HA -0.071 4.399 4.470 0.001 0.000 0.231 162 S C 0.559 175.125 174.600 -0.057 0.000 1.014 162 S CA 0.522 58.693 58.200 -0.049 0.000 0.965 162 S CB -0.299 62.864 63.200 -0.062 0.000 0.785 162 S HN 0.417 nan 8.310 nan 0.000 0.495 163 D N 1.276 121.650 120.400 -0.043 0.000 2.467 163 D HA 0.627 5.267 4.640 0.001 0.000 0.220 163 D C 0.927 177.190 176.300 -0.061 0.000 1.103 163 D CA -0.085 53.887 54.000 -0.048 0.000 0.886 163 D CB 1.043 41.824 40.800 -0.033 0.000 1.025 163 D HN 0.117 nan 8.370 nan 0.000 0.514 164 A N 2.868 125.636 122.820 -0.088 0.000 2.024 164 A HA -0.174 4.146 4.320 0.001 0.000 0.220 164 A C 2.057 179.497 177.584 -0.239 0.000 1.164 164 A CA 1.977 53.923 52.037 -0.151 0.000 0.643 164 A CB -0.875 18.028 19.000 -0.160 0.000 0.806 164 A HN 0.647 nan 8.150 nan 0.000 0.451 165 T N -2.188 112.277 114.554 -0.149 0.000 3.051 165 T HA -0.085 4.265 4.350 0.001 0.000 0.269 165 T C 1.289 176.008 174.700 0.031 0.000 1.127 165 T CA 1.345 63.406 62.100 -0.064 0.000 1.107 165 T CB -0.561 68.315 68.868 0.014 0.000 0.898 165 T HN 0.413 nan 8.240 nan 0.000 0.517 166 N N 0.707 119.402 118.700 -0.008 0.000 2.494 166 N HA 0.181 4.921 4.740 0.001 0.000 0.182 166 N C 0.294 175.832 175.510 0.048 0.000 1.076 166 N CA 0.073 53.136 53.050 0.023 0.000 0.908 166 N CB -0.273 38.217 38.487 0.004 0.000 0.967 166 N HN 0.482 nan 8.380 nan 0.000 0.449 167 I N 1.826 122.424 120.570 0.046 0.000 2.662 167 I HA -0.128 4.042 4.170 0.001 0.000 0.285 167 I C 0.978 177.188 176.117 0.154 0.000 1.161 167 I CA 0.305 61.652 61.300 0.078 0.000 1.415 167 I CB 0.660 38.664 38.000 0.007 0.000 1.385 167 I HN 0.030 nan 8.210 nan 0.000 0.552 168 E N 3.210 123.446 120.200 0.060 0.000 2.498 168 E HA 0.040 4.390 4.350 0.001 0.000 0.203 168 E C 0.622 177.220 176.600 -0.003 0.000 1.013 168 E CA -0.377 56.038 56.400 0.025 0.000 0.927 168 E CB -0.287 29.415 29.700 0.002 0.000 1.012 168 E HN 0.754 nan 8.360 nan 0.000 0.482 169 C N 3.317 122.614 119.300 -0.005 0.000 2.616 169 C HA 0.302 4.762 4.460 0.001 0.000 0.402 169 C C 1.026 175.983 174.990 -0.055 0.000 1.436 169 C CA 0.187 59.184 59.018 -0.036 0.000 1.521 169 C CB -1.809 25.890 27.740 -0.069 0.000 2.413 169 C HN 0.494 nan 8.230 nan 0.000 0.617 170 S N 6.095 121.767 115.700 -0.047 0.000 2.531 170 S HA 0.530 5.000 4.470 0.001 0.000 0.279 170 S C -0.456 174.114 174.600 -0.051 0.000 1.305 170 S CA -0.299 57.873 58.200 -0.046 0.000 1.058 170 S CB 0.115 63.299 63.200 -0.026 0.000 0.899 170 S HN 0.707 nan 8.310 nan 0.000 0.493 171 I N 4.229 124.765 120.570 -0.056 0.000 2.439 171 I HA 0.336 4.506 4.170 0.001 0.000 0.285 171 I C -0.222 175.920 176.117 0.042 0.000 1.021 171 I CA -0.478 60.800 61.300 -0.037 0.000 1.091 171 I CB 1.820 39.737 38.000 -0.138 0.000 1.242 171 I HN 0.643 nan 8.210 nan 0.000 0.439 172 Q N 4.293 124.162 119.800 0.115 0.000 2.348 172 Q HA 0.621 4.961 4.340 0.001 0.000 0.271 172 Q C -0.725 175.398 176.000 0.205 0.000 1.067 172 Q CA -1.072 54.808 55.803 0.129 0.000 0.839 172 Q CB 3.072 31.845 28.738 0.059 0.000 1.354 172 Q HN 0.346 nan 8.270 nan 0.000 0.447 173 R N 1.737 122.301 120.500 0.106 0.000 2.360 173 R HA 0.264 4.604 4.340 0.001 0.000 0.318 173 R C -1.749 174.488 176.300 -0.105 0.000 0.950 173 R CA -0.493 55.555 56.100 -0.086 0.000 0.837 173 R CB 0.612 30.849 30.300 -0.105 0.000 1.165 173 R HN 0.523 nan 8.270 nan 0.000 0.458 174 D N 3.972 124.294 120.400 -0.131 0.000 2.414 174 D HA 0.248 4.888 4.640 0.001 0.000 0.232 174 D C -0.049 176.173 176.300 -0.130 0.000 1.070 174 D CA -0.595 53.346 54.000 -0.099 0.000 0.839 174 D CB 1.167 41.935 40.800 -0.053 0.000 1.079 174 D HN 0.669 nan 8.370 nan 0.000 0.521 175 E N 1.350 121.481 120.200 -0.115 0.000 3.533 175 E HA -0.374 3.977 4.350 0.001 0.000 0.457 175 E C 0.839 177.362 176.600 -0.129 0.000 1.598 175 E CA 2.414 58.755 56.400 -0.099 0.000 1.248 175 E CB -0.825 28.838 29.700 -0.061 0.000 1.278 175 E HN 0.703 nan 8.360 nan 0.000 0.395 176 D N 1.337 121.679 120.400 -0.097 0.000 2.363 176 D HA 0.015 4.655 4.640 0.001 0.000 0.220 176 D C 0.297 176.533 176.300 -0.106 0.000 0.994 176 D CA 1.146 55.097 54.000 -0.082 0.000 0.890 176 D CB 0.066 40.842 40.800 -0.040 0.000 0.906 176 D HN 0.303 nan 8.370 nan 0.000 0.530 177 S N -1.793 113.805 115.700 -0.171 0.000 2.625 177 S HA 0.570 5.041 4.470 0.001 0.000 0.271 177 S C -1.431 172.999 174.600 -0.284 0.000 1.161 177 S CA -1.054 57.055 58.200 -0.151 0.000 0.820 177 S CB 1.030 64.210 63.200 -0.032 0.000 1.137 177 S HN -0.000 nan 8.310 nan 0.000 0.470 178 Y N 0.050 120.360 120.300 0.017 0.000 2.377 178 Y HA 0.646 5.194 4.550 -0.003 0.000 0.339 178 Y C -0.245 175.662 175.900 0.012 0.000 1.011 178 Y CA -0.878 57.227 58.100 0.008 0.000 1.093 178 Y CB 1.990 40.451 38.460 0.001 0.000 1.201 178 Y HN 0.606 nan 8.280 nan 0.000 0.455 179 V N 5.390 125.413 119.914 0.181 0.000 2.398 179 V HA 0.446 4.566 4.120 0.001 0.000 0.286 179 V C -0.235 175.914 176.094 0.092 0.000 1.026 179 V CA -0.822 61.545 62.300 0.111 0.000 0.868 179 V CB 1.277 33.142 31.823 0.070 0.000 0.982 179 V HN 0.557 nan 8.190 nan 0.000 0.443 180 I N 4.989 125.607 120.570 0.079 0.000 2.406 180 I HA 0.513 4.683 4.170 0.001 0.000 0.290 180 I C -0.391 175.773 176.117 0.079 0.000 0.999 180 I CA -0.366 60.958 61.300 0.039 0.000 1.124 180 I CB 1.547 39.543 38.000 -0.006 0.000 1.289 180 I HN 0.562 nan 8.210 nan 0.000 0.441 181 N N 4.811 123.538 118.700 0.045 0.000 2.371 181 N HA 0.754 5.494 4.740 0.001 0.000 0.291 181 N C -0.567 174.967 175.510 0.040 0.000 1.053 181 N CA -0.416 52.671 53.050 0.063 0.000 0.870 181 N CB 2.840 41.344 38.487 0.029 0.000 1.503 181 N HN 0.911 nan 8.380 nan 0.000 0.485 182 G N 0.964 109.816 108.800 0.087 0.000 2.313 182 G HA2 0.184 4.144 3.960 0.001 0.000 0.296 182 G HA3 0.184 4.144 3.960 0.001 0.000 0.296 182 G C -1.820 173.153 174.900 0.121 0.000 1.356 182 G CA -0.730 44.402 45.100 0.054 0.000 0.833 182 G HN 0.298 nan 8.290 nan 0.000 0.552 183 K N 0.578 121.021 120.400 0.072 0.000 2.221 183 K HA 0.654 4.974 4.320 0.001 0.000 0.258 183 K C -0.719 176.003 176.600 0.204 0.000 0.944 183 K CA -0.926 55.453 56.287 0.155 0.000 0.823 183 K CB 2.134 34.636 32.500 0.003 0.000 1.113 183 K HN 0.249 nan 8.250 nan 0.000 0.431 184 K N 2.207 122.798 120.400 0.318 0.000 2.426 184 K HA 0.452 4.772 4.320 0.001 0.000 0.251 184 K C -0.969 175.848 176.600 0.361 0.000 0.941 184 K CA -0.767 55.700 56.287 0.300 0.000 0.808 184 K CB 2.218 34.910 32.500 0.321 0.000 1.265 184 K HN 0.658 nan 8.250 nan 0.000 0.432 185 W N 0.207 121.562 121.300 0.091 0.000 3.047 185 W HA 0.325 4.984 4.660 -0.000 0.000 0.341 185 W C -1.138 175.458 176.519 0.128 0.000 1.225 185 W CA -1.696 55.652 57.345 0.006 0.000 1.150 185 W CB -0.257 29.124 29.460 -0.133 0.000 1.470 185 W HN 0.775 nan 8.180 nan 0.000 0.578 186 W N 0.746 122.009 121.300 -0.061 0.000 4.034 186 W HA -0.156 4.504 4.660 -0.001 0.000 0.345 186 W C 0.192 176.745 176.519 0.056 0.000 1.308 186 W CA 0.977 58.221 57.345 -0.168 0.000 0.740 186 W CB -1.779 27.432 29.460 -0.414 0.000 2.404 186 W HN 0.372 nan 8.180 nan 0.000 1.353 187 S N 0.981 116.835 115.700 0.257 0.000 2.405 187 S HA 0.372 4.843 4.470 0.001 0.000 0.291 187 S C 0.561 175.329 174.600 0.281 0.000 1.137 187 S CA -0.376 57.973 58.200 0.249 0.000 1.061 187 S CB 0.812 64.130 63.200 0.198 0.000 1.001 187 S HN 0.133 nan 8.310 nan 0.000 0.507 188 S N 2.579 118.465 115.700 0.309 0.000 2.505 188 S HA 0.508 4.978 4.470 0.001 0.000 0.276 188 S C 1.408 176.102 174.600 0.157 0.000 1.274 188 S CA 0.161 58.517 58.200 0.259 0.000 1.053 188 S CB 0.863 64.277 63.200 0.356 0.000 0.919 188 S HN 1.103 nan 8.310 nan 0.000 0.490 189 G N 2.281 111.145 108.800 0.107 0.000 2.213 189 G HA2 -0.265 3.695 3.960 0.001 0.000 0.236 189 G HA3 -0.265 3.695 3.960 0.001 0.000 0.236 189 G C 1.003 175.934 174.900 0.051 0.000 0.991 189 G CA 0.199 45.366 45.100 0.112 0.000 0.629 189 G HN 0.987 nan 8.290 nan 0.000 0.517 190 A N 0.502 123.331 122.820 0.015 0.000 2.084 190 A HA 0.260 4.580 4.320 0.001 0.000 0.221 190 A C 2.646 179.914 177.584 -0.525 0.000 1.161 190 A CA 2.372 54.280 52.037 -0.214 0.000 0.653 190 A CB -0.796 18.058 19.000 -0.244 0.000 0.802 190 A HN 1.660 nan 8.150 nan 0.000 0.457 191 G N -0.615 107.833 108.800 -0.587 0.000 2.511 191 G HA2 -0.106 3.854 3.960 0.001 0.000 0.217 191 G HA3 -0.106 3.854 3.960 0.001 0.000 0.217 191 G C 0.783 175.550 174.900 -0.223 0.000 1.133 191 G CA 0.337 44.941 45.100 -0.826 0.000 0.792 191 G HN 0.519 nan 8.290 nan 0.000 0.539 192 N N 1.119 119.815 118.700 -0.007 0.000 2.475 192 N HA 0.150 4.890 4.740 0.001 0.000 0.267 192 N C -1.506 174.009 175.510 0.008 0.000 1.169 192 N CA -1.883 51.216 53.050 0.082 0.000 0.947 192 N CB 1.771 40.313 38.487 0.093 0.000 1.061 192 N HN -0.140 nan 8.380 nan 0.000 0.466 193 P HA -0.126 nan 4.420 nan 0.000 0.218 193 P C 0.536 177.848 177.300 0.020 0.000 1.146 193 P CA 1.504 64.612 63.100 0.014 0.000 0.813 193 P CB 0.282 32.007 31.700 0.041 0.000 0.778 194 K N -1.748 118.674 120.400 0.037 0.000 2.439 194 K HA -0.016 4.304 4.320 0.001 0.000 0.197 194 K C 0.539 177.172 176.600 0.055 0.000 1.041 194 K CA 0.141 56.459 56.287 0.051 0.000 0.970 194 K CB -0.484 32.052 32.500 0.059 0.000 0.773 194 K HN 0.130 nan 8.250 nan 0.000 0.479 195 C N 3.016 122.333 119.300 0.028 0.000 2.551 195 C HA 0.115 4.575 4.460 0.001 0.000 0.369 195 C C 1.092 176.093 174.990 0.020 0.000 1.154 195 C CA -0.357 58.673 59.018 0.021 0.000 1.456 195 C CB -0.882 26.849 27.740 -0.015 0.000 2.037 195 C HN 0.274 nan 8.230 nan 0.000 0.547 196 K N 3.166 123.605 120.400 0.065 0.000 2.361 196 K HA 0.246 4.566 4.320 0.001 0.000 0.194 196 K C 0.015 176.632 176.600 0.028 0.000 1.032 196 K CA 0.235 56.578 56.287 0.093 0.000 1.048 196 K CB 0.414 33.037 32.500 0.204 0.000 0.842 196 K HN 0.629 nan 8.250 nan 0.000 0.526 197 I N -0.032 120.505 120.570 -0.055 0.000 2.619 197 I HA 0.394 4.564 4.170 0.001 0.000 0.292 197 I C -1.823 174.203 176.117 -0.153 0.000 1.100 197 I CA -1.051 60.090 61.300 -0.265 0.000 1.043 197 I CB 2.031 39.646 38.000 -0.641 0.000 1.239 197 I HN -0.016 nan 8.210 nan 0.000 0.420 198 A N 7.703 130.436 122.820 -0.146 0.000 2.355 198 A HA 0.814 5.134 4.320 0.001 0.000 0.317 198 A C -1.056 176.502 177.584 -0.043 0.000 1.094 198 A CA -0.530 51.495 52.037 -0.019 0.000 0.764 198 A CB 0.829 19.883 19.000 0.090 0.000 1.230 198 A HN 0.611 nan 8.150 nan 0.000 0.448 199 I N 2.834 123.434 120.570 0.051 0.000 2.321 199 I HA 0.406 4.576 4.170 0.001 0.000 0.291 199 I C -0.782 175.390 176.117 0.091 0.000 0.998 199 I CA -0.635 60.719 61.300 0.089 0.000 1.227 199 I CB 1.592 39.709 38.000 0.196 0.000 1.368 199 I HN 0.306 nan 8.210 nan 0.000 0.466 200 V N 7.375 127.270 119.914 -0.032 0.000 2.604 200 V HA 0.429 4.549 4.120 0.001 0.000 0.305 200 V C -0.305 175.708 176.094 -0.135 0.000 1.043 200 V CA -0.701 61.501 62.300 -0.164 0.000 0.888 200 V CB 2.539 34.162 31.823 -0.333 0.000 0.995 200 V HN 0.512 nan 8.190 nan 0.000 0.429 201 L N 3.628 124.749 121.223 -0.169 0.000 2.287 201 L HA 0.902 5.243 4.340 0.001 0.000 0.287 201 L C 0.344 177.159 176.870 -0.091 0.000 1.022 201 L CA 0.221 55.002 54.840 -0.099 0.000 0.814 201 L CB 1.144 43.150 42.059 -0.089 0.000 1.217 201 L HN 0.854 nan 8.230 nan 0.000 0.420 202 G N 3.640 112.414 108.800 -0.044 0.000 2.766 202 G HA2 0.428 4.388 3.960 0.001 0.000 0.288 202 G HA3 0.428 4.388 3.960 0.001 0.000 0.288 202 G C -1.701 173.215 174.900 0.027 0.000 1.408 202 G CA -0.881 44.207 45.100 -0.021 0.000 0.852 202 G HN 0.542 nan 8.290 nan 0.000 0.487 203 R N -0.095 120.354 120.500 -0.085 0.000 2.234 203 R HA 0.472 4.812 4.340 0.001 0.000 0.324 203 R C -0.747 175.425 176.300 -0.212 0.000 1.054 203 R CA -0.134 55.774 56.100 -0.319 0.000 0.912 203 R CB 0.552 30.680 30.300 -0.288 0.000 1.030 203 R HN 0.333 nan 8.270 nan 0.000 0.455 204 T N 4.182 118.603 114.554 -0.222 0.000 3.145 204 T HA 0.136 4.486 4.350 0.001 0.000 0.362 204 T C 0.031 174.662 174.700 -0.116 0.000 1.340 204 T CA -0.208 61.818 62.100 -0.124 0.000 1.069 204 T CB 1.009 69.823 68.868 -0.090 0.000 1.129 204 T HN 0.773 nan 8.240 nan 0.000 0.585 205 Q N 1.509 121.248 119.800 -0.101 0.000 2.308 205 Q HA 0.452 4.793 4.340 0.001 0.000 0.313 205 Q C 0.296 176.269 176.000 -0.046 0.000 1.075 205 Q CA 0.608 56.364 55.803 -0.079 0.000 0.995 205 Q CB -0.867 27.836 28.738 -0.057 0.000 1.107 205 Q HN 1.035 nan 8.270 nan 0.000 0.380 206 N N -1.033 117.642 118.700 -0.043 0.000 3.227 206 N HA 0.962 5.702 4.740 0.001 0.000 0.241 206 N C -0.142 175.357 175.510 -0.019 0.000 1.480 206 N CA 0.086 53.122 53.050 -0.024 0.000 0.886 206 N CB 0.943 39.418 38.487 -0.019 0.000 1.406 206 N HN 1.652 nan 8.380 nan 0.000 0.514 207 T N -1.034 113.513 114.554 -0.010 0.000 3.237 207 T HA 0.948 5.299 4.350 0.001 0.000 0.319 207 T C 0.133 174.831 174.700 -0.003 0.000 1.037 207 T CA 0.596 62.692 62.100 -0.007 0.000 1.048 207 T CB 0.104 68.968 68.868 -0.007 0.000 1.081 207 T HN 1.846 nan 8.240 nan 0.000 0.455 215 H N -0.586 118.458 119.070 -0.043 0.000 2.768 215 H HA 0.758 5.314 4.556 0.001 0.000 0.371 215 H C -0.640 174.643 175.328 -0.076 0.000 1.151 215 H CA -0.313 55.700 56.048 -0.059 0.000 1.165 215 H CB 1.939 31.671 29.762 -0.050 0.000 1.722 215 H HN -0.158 nan 8.280 nan 0.000 0.543 216 S N 1.457 117.163 115.700 0.011 0.000 2.595 216 S HA 0.523 4.994 4.470 0.001 0.000 0.281 216 S C -1.056 173.498 174.600 -0.077 0.000 1.117 216 S CA -0.772 57.388 58.200 -0.067 0.000 0.873 216 S CB 1.994 65.102 63.200 -0.154 0.000 1.108 216 S HN 0.451 nan 8.310 nan 0.000 0.477 217 M N 2.379 121.927 119.600 -0.087 0.000 2.364 217 M HA 0.692 5.172 4.480 0.001 0.000 0.334 217 M C -1.424 174.818 176.300 -0.096 0.000 1.107 217 M CA -0.505 54.758 55.300 -0.062 0.000 0.988 217 M CB 1.084 33.671 32.600 -0.022 0.000 1.673 217 M HN 0.719 nan 8.290 nan 0.000 0.441 218 I N 4.055 124.565 120.570 -0.100 0.000 2.692 218 I HA 0.434 4.605 4.170 0.001 0.000 0.293 218 I C -1.633 174.432 176.117 -0.088 0.000 1.200 218 I CA -0.766 60.464 61.300 -0.115 0.000 1.036 218 I CB 1.604 39.486 38.000 -0.197 0.000 1.258 218 I HN 0.635 nan 8.210 nan 0.000 0.421 219 L N 7.225 128.406 121.223 -0.071 0.000 2.367 219 L HA 0.423 4.764 4.340 0.001 0.000 0.275 219 L C -0.871 175.936 176.870 -0.106 0.000 1.129 219 L CA -0.421 54.337 54.840 -0.137 0.000 0.839 219 L CB 1.173 43.123 42.059 -0.181 0.000 1.133 219 L HN 0.296 nan 8.230 nan 0.000 0.453 220 V N 4.941 124.777 119.914 -0.130 0.000 2.447 220 V HA 0.308 4.428 4.120 0.001 0.000 0.292 220 V C -2.272 173.780 176.094 -0.070 0.000 1.021 220 V CA -1.702 60.582 62.300 -0.027 0.000 0.850 220 V CB 1.751 33.625 31.823 0.084 0.000 1.005 220 V HN 0.577 nan 8.190 nan 0.000 0.426 221 P HA 0.231 nan 4.420 nan 0.000 0.271 221 P C 0.930 178.245 177.300 0.025 0.000 1.216 221 P CA -0.243 62.844 63.100 -0.021 0.000 0.776 221 P CB 0.588 32.382 31.700 0.157 0.000 0.881 222 M N 2.066 121.671 119.600 0.007 0.000 2.296 222 M HA -0.090 4.390 4.480 0.001 0.000 0.265 222 M C 1.058 177.348 176.300 -0.017 0.000 1.064 222 M CA 1.559 56.850 55.300 -0.015 0.000 1.109 222 M CB -1.365 31.212 32.600 -0.037 0.000 1.396 222 M HN 0.409 nan 8.290 nan 0.000 0.430 223 N N -0.165 118.548 118.700 0.022 0.000 2.370 223 N HA -0.018 4.722 4.740 0.001 0.000 0.198 223 N C -0.413 175.115 175.510 0.030 0.000 1.156 223 N CA 0.089 53.151 53.050 0.020 0.000 0.839 223 N CB -0.835 37.676 38.487 0.040 0.000 0.989 223 N HN -0.005 nan 8.380 nan 0.000 0.468 224 T N 3.045 117.623 114.554 0.039 0.000 2.870 224 T HA 0.187 4.537 4.350 0.001 0.000 0.300 224 T C -2.477 172.239 174.700 0.026 0.000 0.989 224 T CA -0.777 61.354 62.100 0.052 0.000 1.139 224 T CB 0.822 69.740 68.868 0.082 0.000 0.920 224 T HN 0.142 nan 8.240 nan 0.000 0.537 225 P HA 0.159 nan 4.420 nan 0.000 0.260 225 P C 1.069 178.380 177.300 0.018 0.000 1.172 225 P CA 0.916 64.026 63.100 0.016 0.000 0.760 225 P CB 0.147 31.861 31.700 0.023 0.000 0.773 226 G N 1.441 110.239 108.800 -0.004 0.000 2.232 226 G HA2 -0.208 3.752 3.960 0.001 0.000 0.226 226 G HA3 -0.208 3.752 3.960 0.001 0.000 0.226 226 G C 0.007 174.871 174.900 -0.061 0.000 0.996 226 G CA -0.256 44.842 45.100 -0.004 0.000 0.626 226 G HN 0.535 nan 8.290 nan 0.000 0.509 227 V N 1.814 121.665 119.914 -0.106 0.000 2.427 227 V HA 0.615 4.735 4.120 0.001 0.000 0.268 227 V C 0.631 176.585 176.094 -0.234 0.000 1.046 227 V CA 0.918 63.054 62.300 -0.273 0.000 0.970 227 V CB 0.765 32.445 31.823 -0.238 0.000 1.001 227 V HN 0.891 nan 8.190 nan 0.000 0.476 228 K N 5.548 125.783 120.400 -0.274 0.000 2.502 228 K HA 0.685 5.006 4.320 0.001 0.000 0.254 228 K C -0.766 175.680 176.600 -0.256 0.000 0.947 228 K CA -0.569 55.596 56.287 -0.204 0.000 0.834 228 K CB 1.226 33.655 32.500 -0.119 0.000 1.112 228 K HN 0.665 nan 8.250 nan 0.000 0.427 229 I N 4.316 124.739 120.570 -0.245 0.000 2.379 229 I HA 0.105 4.275 4.170 0.001 0.000 0.290 229 I C 0.820 176.825 176.117 -0.186 0.000 1.063 229 I CA -0.513 60.635 61.300 -0.252 0.000 1.351 229 I CB 0.833 38.618 38.000 -0.358 0.000 1.410 229 I HN 0.658 nan 8.210 nan 0.000 0.505 230 I N 5.663 126.122 120.570 -0.185 0.000 2.364 230 I HA 0.082 4.252 4.170 0.001 0.000 0.241 230 I C 1.011 177.094 176.117 -0.057 0.000 1.082 230 I CA 1.222 62.413 61.300 -0.182 0.000 1.401 230 I CB -0.586 37.190 38.000 -0.374 0.000 1.126 230 I HN 0.657 nan 8.210 nan 0.000 0.429 231 R N 1.244 121.752 120.500 0.013 0.000 2.664 231 R HA 0.445 4.785 4.340 0.001 0.000 0.266 231 R C -3.293 172.940 176.300 -0.112 0.000 1.046 231 R CA -1.256 54.853 56.100 0.014 0.000 0.885 231 R CB 1.688 31.961 30.300 -0.044 0.000 1.254 231 R HN -0.214 nan 8.270 nan 0.000 0.465 232 P HA 0.314 nan 4.420 nan 0.000 0.279 232 P C -0.818 176.213 177.300 -0.449 0.000 1.252 232 P CA -0.567 62.008 63.100 -0.875 0.000 0.811 232 P CB 1.073 32.368 31.700 -0.675 0.000 1.035 233 L N 1.195 122.119 121.223 -0.497 0.000 2.346 233 L HA 0.438 4.778 4.340 0.001 0.000 0.276 233 L C 0.765 177.532 176.870 -0.172 0.000 1.006 233 L CA -0.647 53.929 54.840 -0.441 0.000 0.817 233 L CB 1.864 43.285 42.059 -1.064 0.000 1.272 233 L HN 0.397 nan 8.230 nan 0.000 0.421 234 S N 1.466 117.135 115.700 -0.051 0.000 2.617 234 S HA 0.738 5.208 4.470 0.001 0.000 0.283 234 S C -0.470 174.208 174.600 0.130 0.000 1.189 234 S CA -0.783 57.467 58.200 0.084 0.000 1.036 234 S CB 2.065 65.302 63.200 0.062 0.000 1.014 234 S HN 0.259 nan 8.310 nan 0.000 0.522 235 V N 2.921 122.938 119.914 0.171 0.000 2.350 235 V HA 0.387 4.507 4.120 0.001 0.000 0.285 235 V C -0.769 175.428 176.094 0.172 0.000 1.014 235 V CA -0.649 61.696 62.300 0.075 0.000 0.831 235 V CB -0.300 31.602 31.823 0.132 0.000 1.000 235 V HN 0.929 nan 8.190 nan 0.000 0.433 236 F N 3.586 123.597 119.950 0.100 0.000 3.019 236 F HA -0.231 4.297 4.527 0.001 0.000 0.259 236 F C 1.681 177.406 175.800 -0.126 0.000 0.976 236 F CA 1.215 59.224 58.000 0.015 0.000 0.876 236 F CB -1.593 37.438 39.000 0.052 0.000 0.784 236 F HN 0.932 nan 8.300 nan 0.000 0.786 237 G N -2.073 106.746 108.800 0.033 0.000 2.168 237 G HA2 -0.359 3.601 3.960 0.001 0.000 0.257 237 G HA3 -0.359 3.601 3.960 0.001 0.000 0.257 237 G C -0.097 174.749 174.900 -0.091 0.000 0.997 237 G CA 0.165 45.239 45.100 -0.044 0.000 0.708 237 G HN 0.553 nan 8.290 nan 0.000 0.520 238 Y N 0.222 120.617 120.300 0.158 0.000 2.323 238 Y HA 0.504 5.054 4.550 0.000 0.000 0.331 238 Y C 1.825 177.826 175.900 0.169 0.000 1.092 238 Y CA -0.083 58.115 58.100 0.164 0.000 1.150 238 Y CB 1.748 40.338 38.460 0.216 0.000 1.200 238 Y HN 0.166 nan 8.280 nan 0.000 0.472 239 T N -3.130 111.616 114.554 0.320 0.000 3.022 239 T HA 0.083 4.434 4.350 0.001 0.000 0.250 239 T C 0.235 175.168 174.700 0.387 0.000 1.060 239 T CA 0.464 62.740 62.100 0.294 0.000 1.013 239 T CB -0.028 68.966 68.868 0.209 0.000 0.982 239 T HN 0.661 nan 8.240 nan 0.000 0.508 240 D N 1.342 121.968 120.400 0.376 0.000 2.835 240 D HA -0.152 4.489 4.640 0.001 0.000 0.230 240 D C 0.432 176.956 176.300 0.373 0.000 1.130 240 D CA 0.451 54.696 54.000 0.408 0.000 0.738 240 D CB -2.131 38.974 40.800 0.507 0.000 1.090 240 D HN 0.408 nan 8.370 nan 0.000 0.433 241 N N -0.719 118.111 118.700 0.216 0.000 2.192 241 N HA -0.141 4.599 4.740 0.001 0.000 0.188 241 N C 1.502 177.147 175.510 0.225 0.000 1.013 241 N CA 1.500 54.587 53.050 0.060 0.000 0.863 241 N CB -0.281 38.009 38.487 -0.328 0.000 0.990 241 N HN 0.471 nan 8.380 nan 0.000 0.430 242 F N 0.643 120.670 119.950 0.128 0.000 2.146 242 F HA -0.089 4.438 4.527 0.000 0.000 0.298 242 F C 1.231 177.038 175.800 0.012 0.000 1.096 242 F CA 1.459 59.512 58.000 0.088 0.000 1.275 242 F CB -0.117 38.921 39.000 0.064 0.000 1.008 242 F HN 0.190 nan 8.300 nan 0.000 0.480 243 H N -0.369 118.943 119.070 0.403 0.000 2.537 243 H HA 0.286 4.843 4.556 0.001 0.000 0.295 243 H C 1.007 176.456 175.328 0.202 0.000 1.054 243 H CA -0.016 56.186 56.048 0.257 0.000 1.156 243 H CB -0.602 29.347 29.762 0.311 0.000 1.468 243 H HN 0.211 nan 8.280 nan 0.000 0.551 244 G N 0.179 109.185 108.800 0.345 0.000 2.380 244 G HA2 0.348 4.309 3.960 0.001 0.000 0.242 244 G HA3 0.348 4.309 3.960 0.001 0.000 0.242 244 G C 0.433 175.599 174.900 0.443 0.000 1.298 244 G CA 0.339 45.764 45.100 0.542 0.000 0.878 244 G HN 0.468 nan 8.290 nan 0.000 0.542 245 G N 0.911 109.920 108.800 0.348 0.000 3.481 245 G HA2 0.506 4.466 3.960 0.001 0.000 0.180 245 G HA3 0.506 4.466 3.960 0.001 0.000 0.180 245 G C -0.822 173.806 174.900 -0.454 0.000 1.345 245 G CA -0.473 44.696 45.100 0.115 0.000 1.104 245 G HN 0.666 nan 8.290 nan 0.000 0.749 246 H N -0.336 118.686 119.070 -0.081 0.000 3.181 246 H HA 0.481 5.037 4.556 0.000 0.000 0.331 246 H C -1.640 173.424 175.328 -0.439 0.000 0.988 246 H CA -0.366 55.644 56.048 -0.064 0.000 1.449 246 H CB 1.409 31.226 29.762 0.092 0.000 1.749 246 H HN 0.201 nan 8.280 nan 0.000 0.501 247 F N 0.708 120.604 119.950 -0.089 0.000 2.546 247 F HA 0.215 4.742 4.527 -0.000 0.000 0.320 247 F C 0.791 176.520 175.800 -0.118 0.000 1.076 247 F CA -0.856 57.042 58.000 -0.170 0.000 0.928 247 F CB 2.208 41.081 39.000 -0.211 0.000 1.189 247 F HN 0.423 nan 8.300 nan 0.000 0.465 248 E N 2.757 122.993 120.200 0.059 0.000 2.259 248 E HA 0.475 4.825 4.350 0.001 0.000 0.281 248 E C -1.269 175.323 176.600 -0.012 0.000 1.037 248 E CA -0.156 56.287 56.400 0.072 0.000 0.854 248 E CB 0.679 30.386 29.700 0.012 0.000 1.051 248 E HN 0.476 nan 8.360 nan 0.000 0.409 249 I N 3.967 124.550 120.570 0.021 0.000 2.498 249 I HA 0.258 4.428 4.170 0.001 0.000 0.290 249 I C -0.427 175.679 176.117 -0.019 0.000 1.032 249 I CA -0.586 60.649 61.300 -0.109 0.000 1.073 249 I CB 1.758 39.691 38.000 -0.112 0.000 1.251 249 I HN 0.579 nan 8.210 nan 0.000 0.426 250 H N 5.131 124.073 119.070 -0.212 0.000 2.479 250 H HA 0.470 5.027 4.556 0.001 0.000 0.335 250 H C -1.279 173.828 175.328 -0.369 0.000 1.142 250 H CA -0.677 55.287 56.048 -0.139 0.000 1.234 250 H CB 1.738 31.450 29.762 -0.083 0.000 1.503 250 H HN 0.362 nan 8.280 nan 0.000 0.510 251 F N 1.778 121.789 119.950 0.103 0.000 2.366 251 F HA 0.139 4.667 4.527 0.003 0.000 0.366 251 F C 0.174 175.984 175.800 0.016 0.000 1.096 251 F CA -0.733 57.292 58.000 0.042 0.000 1.060 251 F CB 0.748 39.760 39.000 0.021 0.000 1.282 251 F HN 0.464 nan 8.300 nan 0.000 0.450 252 N N 3.667 122.432 118.700 0.108 0.000 2.699 252 N HA 0.157 4.897 4.740 0.001 0.000 0.232 252 N C -0.433 175.116 175.510 0.064 0.000 1.027 252 N CA -0.079 53.008 53.050 0.062 0.000 0.920 252 N CB 0.252 38.755 38.487 0.027 0.000 1.148 252 N HN 0.380 nan 8.380 nan 0.000 0.509 253 Q N -0.310 119.533 119.800 0.073 0.000 2.463 253 Q HA -0.153 4.188 4.340 0.001 0.000 0.299 253 Q C -0.623 175.425 176.000 0.080 0.000 1.353 253 Q CA 0.684 56.526 55.803 0.064 0.000 0.828 253 Q CB -2.109 26.653 28.738 0.040 0.000 1.157 253 Q HN 0.555 nan 8.270 nan 0.000 0.436 254 V N -1.520 118.467 119.914 0.121 0.000 2.498 254 V HA 0.608 4.728 4.120 0.001 0.000 0.279 254 V C 0.405 176.568 176.094 0.115 0.000 1.048 254 V CA -0.516 61.860 62.300 0.128 0.000 0.967 254 V CB 1.811 33.751 31.823 0.196 0.000 0.988 254 V HN 0.384 nan 8.190 nan 0.000 0.473 255 R N 4.403 124.961 120.500 0.096 0.000 2.338 255 R HA 0.763 5.103 4.340 0.001 0.000 0.317 255 R C -0.853 175.508 176.300 0.102 0.000 0.968 255 R CA -0.406 55.749 56.100 0.092 0.000 0.849 255 R CB 1.781 32.120 30.300 0.065 0.000 1.128 255 R HN 1.005 nan 8.270 nan 0.000 0.448 256 V N 1.624 121.613 119.914 0.125 0.000 3.001 256 V HA 0.692 4.812 4.120 0.001 0.000 0.314 256 V C -2.708 173.470 176.094 0.139 0.000 1.099 256 V CA -3.043 59.338 62.300 0.134 0.000 0.989 256 V CB 1.799 33.706 31.823 0.140 0.000 1.040 256 V HN 0.667 nan 8.190 nan 0.000 0.434 257 P HA 0.279 nan 4.420 nan 0.000 0.268 257 P C 0.752 178.147 177.300 0.158 0.000 1.205 257 P CA 0.445 63.611 63.100 0.109 0.000 0.771 257 P CB 1.095 32.860 31.700 0.108 0.000 0.858 258 A N 3.161 126.029 122.820 0.080 0.000 1.986 258 A HA -0.203 4.117 4.320 0.001 0.000 0.220 258 A C 1.848 179.563 177.584 0.218 0.000 1.171 258 A CA 2.455 54.557 52.037 0.109 0.000 0.640 258 A CB -1.834 17.107 19.000 -0.097 0.000 0.811 258 A HN 0.621 nan 8.150 nan 0.000 0.451 259 T N -2.872 111.768 114.554 0.143 0.000 3.163 259 T HA -0.023 4.328 4.350 0.001 0.000 0.260 259 T C 1.141 175.936 174.700 0.157 0.000 1.156 259 T CA 1.167 63.348 62.100 0.135 0.000 1.072 259 T CB -0.486 68.444 68.868 0.104 0.000 0.937 259 T HN 0.367 nan 8.240 nan 0.000 0.528 260 N N 0.482 119.289 118.700 0.179 0.000 2.446 260 N HA 0.216 4.956 4.740 0.001 0.000 0.179 260 N C 0.326 175.892 175.510 0.094 0.000 1.054 260 N CA -0.100 53.042 53.050 0.153 0.000 0.905 260 N CB -0.343 38.231 38.487 0.146 0.000 0.973 260 N HN 0.420 nan 8.380 nan 0.000 0.448 261 L N 1.316 122.602 121.223 0.105 0.000 2.485 261 L HA 0.154 4.494 4.340 0.001 0.000 0.275 261 L C -0.251 176.641 176.870 0.037 0.000 1.207 261 L CA 0.288 55.136 54.840 0.013 0.000 0.855 261 L CB 0.360 42.445 42.059 0.045 0.000 1.114 261 L HN 0.011 nan 8.230 nan 0.000 0.485 262 I N 6.907 127.477 120.570 0.000 0.000 2.304 262 I HA 0.184 4.354 4.170 0.001 0.000 0.291 262 I C 0.639 176.760 176.117 0.006 0.000 1.018 262 I CA -0.416 60.900 61.300 0.027 0.000 1.260 262 I CB 1.198 39.211 38.000 0.021 0.000 1.390 262 I HN 0.867 nan 8.210 nan 0.000 0.475 263 L N 5.272 126.524 121.223 0.049 0.000 3.153 263 L HA -0.247 4.093 4.340 0.001 0.000 0.369 263 L C 0.330 177.215 176.870 0.026 0.000 3.110 263 L CA 2.167 57.034 54.840 0.045 0.000 2.423 263 L CB -1.279 40.778 42.059 -0.004 0.000 2.474 263 L HN 0.926 nan 8.230 nan 0.000 0.797 264 G N -1.071 107.728 108.800 -0.001 0.000 2.377 264 G HA2 0.423 4.384 3.960 0.001 0.000 0.297 264 G HA3 0.423 4.384 3.960 0.001 0.000 0.297 264 G C -1.514 173.378 174.900 -0.013 0.000 1.547 264 G CA -0.329 44.776 45.100 0.008 0.000 0.833 264 G HN 0.290 nan 8.290 nan 0.000 0.583 265 E N -0.264 119.940 120.200 0.007 0.000 2.376 265 E HA 0.414 4.764 4.350 0.001 0.000 0.266 265 E C 1.202 177.795 176.600 -0.012 0.000 1.009 265 E CA 1.104 57.500 56.400 -0.008 0.000 0.902 265 E CB 1.107 30.826 29.700 0.031 0.000 0.972 265 E HN 1.758 nan 8.360 nan 0.000 0.439 266 G N 3.402 112.189 108.800 -0.023 0.000 2.176 266 G HA2 -0.256 3.704 3.960 0.001 0.000 0.232 266 G HA3 -0.256 3.704 3.960 0.001 0.000 0.232 266 G C 0.862 175.756 174.900 -0.010 0.000 0.986 266 G CA -0.287 44.807 45.100 -0.011 0.000 0.643 266 G HN 0.469 nan 8.290 nan 0.000 0.522 267 R N 0.998 121.478 120.500 -0.034 0.000 2.359 267 R HA 0.246 4.587 4.340 0.001 0.000 0.231 267 R C 2.407 178.658 176.300 -0.081 0.000 0.913 267 R CA 0.808 56.869 56.100 -0.064 0.000 1.075 267 R CB -0.249 29.992 30.300 -0.099 0.000 1.087 267 R HN 0.418 nan 8.270 nan 0.000 0.515 268 G N 0.922 109.702 108.800 -0.033 0.000 2.631 268 G HA2 -0.342 3.618 3.960 0.001 0.000 0.219 268 G HA3 -0.342 3.618 3.960 0.001 0.000 0.219 268 G C 1.491 176.374 174.900 -0.029 0.000 1.214 268 G CA 1.150 46.242 45.100 -0.014 0.000 0.785 268 G HN 0.194 nan 8.290 nan 0.000 0.596 269 F N 0.801 120.738 119.950 -0.021 0.000 2.126 269 F HA -0.071 4.456 4.527 0.001 0.000 0.299 269 F C 2.665 178.445 175.800 -0.033 0.000 1.096 269 F CA 1.499 59.480 58.000 -0.031 0.000 1.255 269 F CB -1.036 37.947 39.000 -0.027 0.000 0.997 269 F HN 0.530 nan 8.300 nan 0.000 0.479 270 E N 0.280 120.448 120.200 -0.054 0.000 2.049 270 E HA -0.259 4.092 4.350 0.001 0.000 0.198 270 E C 2.080 178.609 176.600 -0.118 0.000 1.007 270 E CA 2.240 58.596 56.400 -0.072 0.000 0.809 270 E CB -0.451 29.192 29.700 -0.095 0.000 0.749 270 E HN 0.571 nan 8.360 nan 0.000 0.450 271 I N 0.986 121.416 120.570 -0.233 0.000 2.252 271 I HA -0.257 3.913 4.170 0.001 0.000 0.245 271 I C 2.671 178.747 176.117 -0.069 0.000 1.102 271 I CA 1.272 62.382 61.300 -0.317 0.000 1.385 271 I CB -0.326 37.441 38.000 -0.387 0.000 1.064 271 I HN 0.209 nan 8.210 nan 0.000 0.414 272 S N 0.666 116.360 115.700 -0.011 0.000 2.382 272 S HA -0.261 4.209 4.470 0.001 0.000 0.228 272 S C 2.237 176.855 174.600 0.030 0.000 1.027 272 S CA 1.387 59.621 58.200 0.058 0.000 0.991 272 S CB -0.987 62.300 63.200 0.144 0.000 0.823 272 S HN 0.551 nan 8.310 nan 0.000 0.469 273 Q N 1.483 121.296 119.800 0.022 0.000 2.079 273 Q HA 0.189 4.529 4.340 0.001 0.000 0.200 273 Q C 2.504 178.527 176.000 0.038 0.000 0.974 273 Q CA 1.671 57.491 55.803 0.028 0.000 0.840 273 Q CB -1.950 26.802 28.738 0.024 0.000 0.898 273 Q HN 0.766 nan 8.270 nan 0.000 0.430 274 G N 1.232 110.080 108.800 0.080 0.000 2.440 274 G HA2 -0.302 3.659 3.960 0.001 0.000 0.218 274 G HA3 -0.302 3.659 3.960 0.001 0.000 0.218 274 G C 1.807 176.763 174.900 0.094 0.000 1.154 274 G CA 1.465 46.664 45.100 0.165 0.000 0.767 274 G HN 0.746 nan 8.290 nan 0.000 0.552 275 R N -0.110 120.414 120.500 0.039 0.000 2.090 275 R HA 0.295 4.635 4.340 0.001 0.000 0.219 275 R C 2.295 178.540 176.300 -0.092 0.000 1.100 275 R CA 0.689 56.757 56.100 -0.054 0.000 0.991 275 R CB -0.636 29.557 30.300 -0.178 0.000 0.893 275 R HN 0.324 nan 8.270 nan 0.000 0.443 276 L N 1.156 122.339 121.223 -0.067 0.000 2.217 276 L HA 0.107 4.448 4.340 0.001 0.000 0.211 276 L C 2.577 179.418 176.870 -0.048 0.000 1.107 276 L CA 0.977 55.796 54.840 -0.036 0.000 0.783 276 L CB -0.684 41.396 42.059 0.035 0.000 0.919 276 L HN 0.525 nan 8.230 nan 0.000 0.442 277 G N 1.296 110.062 108.800 -0.057 0.000 2.545 277 G HA2 -0.229 3.732 3.960 0.001 0.000 0.217 277 G HA3 -0.229 3.732 3.960 0.001 0.000 0.217 277 G C -0.691 174.104 174.900 -0.175 0.000 1.218 277 G CA 0.928 45.972 45.100 -0.094 0.000 0.787 277 G HN 0.303 nan 8.290 nan 0.000 0.571 278 P HA -0.019 nan 4.420 nan 0.000 0.216 278 P C 2.201 179.195 177.300 -0.509 0.000 1.153 278 P CA 1.720 64.552 63.100 -0.447 0.000 0.848 278 P CB -0.536 30.982 31.700 -0.304 0.000 0.787 279 G N 0.369 109.022 108.800 -0.245 0.000 2.553 279 G HA2 -0.328 3.632 3.960 0.001 0.000 0.218 279 G HA3 -0.328 3.632 3.960 0.001 0.000 0.218 279 G C 1.651 176.486 174.900 -0.109 0.000 1.195 279 G CA 1.192 46.199 45.100 -0.155 0.000 0.779 279 G HN 0.213 nan 8.290 nan 0.000 0.577 280 R N -0.340 120.125 120.500 -0.059 0.000 2.094 280 R HA 0.025 4.366 4.340 0.001 0.000 0.239 280 R C 2.606 178.883 176.300 -0.038 0.000 1.137 280 R CA 1.463 57.555 56.100 -0.013 0.000 0.943 280 R CB -0.486 29.770 30.300 -0.073 0.000 0.850 280 R HN 0.427 nan 8.270 nan 0.000 0.433 281 I N 0.097 120.588 120.570 -0.131 0.000 2.394 281 I HA -0.263 3.908 4.170 0.001 0.000 0.251 281 I C 1.550 177.670 176.117 0.005 0.000 1.136 281 I CA 1.481 62.723 61.300 -0.096 0.000 1.425 281 I CB -0.037 37.880 38.000 -0.139 0.000 1.079 281 I HN 0.347 nan 8.210 nan 0.000 0.425 282 H N -1.082 117.987 119.070 -0.002 0.000 2.357 282 H HA -0.172 4.384 4.556 0.001 0.000 0.301 282 H C 2.145 177.451 175.328 -0.037 0.000 1.082 282 H CA 1.164 57.206 56.048 -0.010 0.000 1.342 282 H CB 0.033 29.779 29.762 -0.027 0.000 1.389 282 H HN 0.365 nan 8.280 nan 0.000 0.511 283 H N -0.114 119.017 119.070 0.101 0.000 2.352 283 H HA -0.143 4.413 4.556 0.000 0.000 0.299 283 H C 2.530 177.858 175.328 -0.000 0.000 1.097 283 H CA 1.356 57.421 56.048 0.029 0.000 1.311 283 H CB -0.488 29.274 29.762 0.000 0.000 1.377 283 H HN 0.395 nan 8.280 nan 0.000 0.504 284 C N 0.424 119.795 119.300 0.118 0.000 2.446 284 C HA -0.135 4.325 4.460 0.001 0.000 0.277 284 C C 3.036 178.041 174.990 0.024 0.000 1.275 284 C CA 0.705 59.747 59.018 0.041 0.000 1.727 284 C CB -1.002 26.742 27.740 0.007 0.000 2.010 284 C HN 0.493 nan 8.230 nan 0.000 0.486 285 M N -0.034 119.581 119.600 0.026 0.000 2.117 285 M HA -0.165 4.315 4.480 0.001 0.000 0.262 285 M C 2.426 178.711 176.300 -0.026 0.000 1.065 285 M CA 1.706 56.997 55.300 -0.015 0.000 1.114 285 M CB -0.481 32.088 32.600 -0.052 0.000 1.361 285 M HN 0.307 nan 8.290 nan 0.000 0.408 286 R N -0.564 119.935 120.500 -0.000 0.000 2.115 286 R HA -0.073 4.267 4.340 0.001 0.000 0.230 286 R C 2.122 178.427 176.300 0.008 0.000 1.111 286 R CA 1.643 57.744 56.100 0.001 0.000 0.976 286 R CB -0.476 29.847 30.300 0.038 0.000 0.870 286 R HN 0.378 nan 8.270 nan 0.000 0.445 287 T N 0.531 115.094 114.554 0.015 0.000 2.833 287 T HA -0.084 4.267 4.350 0.001 0.000 0.269 287 T C 1.922 176.620 174.700 -0.004 0.000 1.054 287 T CA 1.083 63.184 62.100 0.001 0.000 1.135 287 T CB -0.097 68.766 68.868 -0.008 0.000 0.869 287 T HN 0.000 nan 8.240 nan 0.000 0.466 288 V N 1.564 121.475 119.914 -0.005 0.000 2.332 288 V HA -0.142 3.978 4.120 0.001 0.000 0.248 288 V C 2.851 178.944 176.094 -0.001 0.000 1.055 288 V CA 2.029 64.326 62.300 -0.004 0.000 1.038 288 V CB -1.336 30.481 31.823 -0.009 0.000 0.651 288 V HN 0.594 nan 8.190 nan 0.000 0.450 289 G N -0.727 108.069 108.800 -0.006 0.000 2.408 289 G HA2 -0.213 3.747 3.960 0.001 0.000 0.217 289 G HA3 -0.213 3.747 3.960 0.001 0.000 0.217 289 G C 1.644 176.548 174.900 0.006 0.000 1.150 289 G CA 0.895 45.993 45.100 -0.003 0.000 0.776 289 G HN 0.453 nan 8.290 nan 0.000 0.542 290 L N 0.705 121.932 121.223 0.006 0.000 1.990 290 L HA -0.087 4.253 4.340 0.001 0.000 0.213 290 L C 3.259 180.140 176.870 0.018 0.000 1.072 290 L CA 1.869 56.716 54.840 0.011 0.000 0.755 290 L CB -0.303 41.758 42.059 0.003 0.000 0.889 290 L HN 0.281 nan 8.230 nan 0.000 0.432 291 A N -0.724 122.105 122.820 0.015 0.000 1.883 291 A HA -0.244 4.076 4.320 0.001 0.000 0.217 291 A C 2.125 179.733 177.584 0.039 0.000 1.186 291 A CA 1.864 53.917 52.037 0.027 0.000 0.624 291 A CB -0.637 18.376 19.000 0.023 0.000 0.822 291 A HN 0.538 nan 8.150 nan 0.000 0.444 292 E N -0.754 119.465 120.200 0.031 0.000 2.153 292 E HA -0.205 4.145 4.350 0.001 0.000 0.194 292 E C 2.152 178.775 176.600 0.039 0.000 0.988 292 E CA 1.362 57.782 56.400 0.034 0.000 0.811 292 E CB -0.180 29.534 29.700 0.022 0.000 0.746 292 E HN 0.608 nan 8.360 nan 0.000 0.466 293 R N 0.883 121.406 120.500 0.037 0.000 2.073 293 R HA 0.001 4.341 4.340 0.001 0.000 0.229 293 R C 2.175 178.513 176.300 0.062 0.000 1.120 293 R CA 1.454 57.581 56.100 0.045 0.000 0.967 293 R CB -0.488 29.835 30.300 0.038 0.000 0.862 293 R HN 0.086 nan 8.270 nan 0.000 0.436 294 A N 0.872 123.729 122.820 0.061 0.000 1.892 294 A HA -0.174 4.146 4.320 0.001 0.000 0.218 294 A C 2.028 179.663 177.584 0.085 0.000 1.188 294 A CA 1.682 53.762 52.037 0.072 0.000 0.631 294 A CB -0.826 18.214 19.000 0.066 0.000 0.822 294 A HN 0.385 nan 8.150 nan 0.000 0.447 295 L N -0.225 121.049 121.223 0.085 0.000 2.141 295 L HA -0.154 4.186 4.340 0.001 0.000 0.209 295 L C 2.479 179.396 176.870 0.079 0.000 1.094 295 L CA 2.512 57.408 54.840 0.094 0.000 0.763 295 L CB -0.751 41.361 42.059 0.088 0.000 0.908 295 L HN 0.637 nan 8.230 nan 0.000 0.437 296 Q N -0.611 119.230 119.800 0.068 0.000 2.079 296 Q HA -0.206 4.134 4.340 0.001 0.000 0.200 296 Q C 2.280 178.328 176.000 0.080 0.000 0.974 296 Q CA 2.131 57.972 55.803 0.063 0.000 0.840 296 Q CB -0.173 28.598 28.738 0.055 0.000 0.898 296 Q HN 0.616 nan 8.270 nan 0.000 0.430 297 I N 0.378 121.005 120.570 0.095 0.000 2.252 297 I HA -0.296 3.874 4.170 0.001 0.000 0.245 297 I C 2.612 178.784 176.117 0.091 0.000 1.102 297 I CA 0.985 62.357 61.300 0.120 0.000 1.385 297 I CB -0.194 37.894 38.000 0.146 0.000 1.064 297 I HN 0.405 nan 8.210 nan 0.000 0.414 298 M N -0.132 119.518 119.600 0.083 0.000 2.108 298 M HA -0.287 4.193 4.480 0.001 0.000 0.261 298 M C 2.382 178.743 176.300 0.102 0.000 1.066 298 M CA 1.994 57.350 55.300 0.093 0.000 1.107 298 M CB -0.217 32.461 32.600 0.129 0.000 1.356 298 M HN 0.393 nan 8.290 nan 0.000 0.406 299 C N -0.044 119.309 119.300 0.089 0.000 2.475 299 C HA -0.045 4.415 4.460 0.001 0.000 0.279 299 C C 2.304 177.341 174.990 0.079 0.000 1.322 299 C CA 0.541 59.603 59.018 0.073 0.000 1.734 299 C CB -1.022 26.739 27.740 0.036 0.000 2.005 299 C HN 0.590 nan 8.230 nan 0.000 0.495 300 E N 0.714 120.963 120.200 0.082 0.000 2.058 300 E HA -0.261 4.089 4.350 0.001 0.000 0.194 300 E C 2.337 179.003 176.600 0.110 0.000 0.997 300 E CA 1.309 57.764 56.400 0.091 0.000 0.801 300 E CB -0.087 29.675 29.700 0.102 0.000 0.746 300 E HN 0.404 nan 8.360 nan 0.000 0.450 301 R N 0.581 121.148 120.500 0.112 0.000 2.066 301 R HA -0.052 4.289 4.340 0.001 0.000 0.232 301 R C 1.960 178.327 176.300 0.111 0.000 1.131 301 R CA 1.558 57.721 56.100 0.104 0.000 0.955 301 R CB -0.539 29.791 30.300 0.050 0.000 0.851 301 R HN 0.137 nan 8.270 nan 0.000 0.432 302 A N -0.704 122.196 122.820 0.132 0.000 2.178 302 A HA -0.122 4.198 4.320 0.001 0.000 0.218 302 A C 1.841 179.575 177.584 0.250 0.000 1.157 302 A CA 1.845 53.986 52.037 0.173 0.000 0.689 302 A CB -0.765 18.354 19.000 0.198 0.000 0.787 302 A HN 0.640 nan 8.150 nan 0.000 0.465 303 T N -4.437 110.258 114.554 0.235 0.000 3.014 303 T HA 0.124 4.475 4.350 0.001 0.000 0.250 303 T C 1.513 176.306 174.700 0.155 0.000 1.060 303 T CA 0.607 62.875 62.100 0.279 0.000 1.040 303 T CB 0.000 68.998 68.868 0.217 0.000 0.971 303 T HN 0.477 nan 8.240 nan 0.000 0.497 304 Q N 0.335 120.205 119.800 0.117 0.000 2.392 304 Q HA 0.231 4.571 4.340 0.001 0.000 0.203 304 Q C -0.019 176.018 176.000 0.062 0.000 0.917 304 Q CA 0.196 56.050 55.803 0.085 0.000 0.939 304 Q CB 0.447 29.238 28.738 0.089 0.000 1.063 304 Q HN 0.223 nan 8.270 nan 0.000 0.516 305 R N 0.680 121.214 120.500 0.056 0.000 2.480 305 R HA 0.391 4.731 4.340 0.001 0.000 0.306 305 R C -1.039 175.266 176.300 0.009 0.000 0.958 305 R CA -0.695 55.424 56.100 0.031 0.000 0.861 305 R CB 1.314 31.636 30.300 0.037 0.000 1.171 305 R HN -0.009 nan 8.270 nan 0.000 0.445 306 I N 2.108 122.672 120.570 -0.011 0.000 2.315 306 I HA 0.411 4.582 4.170 0.001 0.000 0.291 306 I C 0.169 176.260 176.117 -0.044 0.000 1.006 306 I CA -0.046 61.238 61.300 -0.027 0.000 1.265 306 I CB 1.676 39.654 38.000 -0.037 0.000 1.387 306 I HN 0.584 nan 8.210 nan 0.000 0.475 307 A N 5.321 128.141 122.820 -0.000 0.000 2.374 307 A HA 0.760 5.080 4.320 0.001 0.000 0.305 307 A C -0.369 177.293 177.584 0.131 0.000 1.053 307 A CA -0.547 51.432 52.037 -0.096 0.000 0.726 307 A CB 0.316 19.263 19.000 -0.087 0.000 1.229 307 A HN 0.612 nan 8.150 nan 0.000 0.431 308 F N 0.948 120.942 119.950 0.073 0.000 3.067 308 F HA -0.256 4.271 4.527 0.000 0.000 0.279 308 F C 1.115 176.939 175.800 0.039 0.000 0.945 308 F CA 1.380 59.424 58.000 0.073 0.000 0.948 308 F CB -2.016 37.053 39.000 0.115 0.000 0.898 308 F HN 0.894 nan 8.300 nan 0.000 0.746 309 K N -2.650 117.797 120.400 0.079 0.000 3.446 309 K HA -0.229 4.091 4.320 0.001 0.000 0.312 309 K C 0.163 176.742 176.600 -0.034 0.000 1.329 309 K CA 1.482 57.781 56.287 0.018 0.000 0.935 309 K CB -0.948 31.570 32.500 0.029 0.000 1.281 309 K HN 0.570 nan 8.250 nan 0.000 0.457 310 K N 0.657 121.025 120.400 -0.054 0.000 2.477 310 K HA 0.377 4.697 4.320 0.001 0.000 0.255 310 K C -0.688 175.810 176.600 -0.171 0.000 0.952 310 K CA -1.027 55.147 56.287 -0.187 0.000 0.826 310 K CB 2.023 34.276 32.500 -0.411 0.000 1.331 310 K HN -0.082 nan 8.250 nan 0.000 0.437 311 K N 1.461 121.692 120.400 -0.282 0.000 2.319 311 K HA 0.079 4.399 4.320 0.001 0.000 0.265 311 K C 1.100 177.517 176.600 -0.305 0.000 1.000 311 K CA -0.016 56.090 56.287 -0.302 0.000 0.943 311 K CB 0.429 32.649 32.500 -0.467 0.000 0.950 311 K HN 0.433 nan 8.250 nan 0.000 0.485 312 L N 1.801 122.972 121.223 -0.087 0.000 2.131 312 L HA -0.224 4.117 4.340 0.001 0.000 0.210 312 L C 2.230 179.100 176.870 0.001 0.000 1.092 312 L CA 1.191 56.069 54.840 0.063 0.000 0.759 312 L CB -0.581 41.534 42.059 0.092 0.000 0.903 312 L HN 0.741 nan 8.230 nan 0.000 0.435 313 Y N -0.540 119.769 120.300 0.014 0.000 2.483 313 Y HA 0.017 4.567 4.550 0.000 0.000 0.291 313 Y C 2.195 178.059 175.900 -0.059 0.000 1.143 313 Y CA 0.506 58.593 58.100 -0.023 0.000 1.289 313 Y CB -0.900 37.553 38.460 -0.011 0.000 0.983 313 Y HN 0.030 nan 8.280 nan 0.000 0.556 314 A N -0.197 122.343 122.820 -0.466 0.000 2.208 314 A HA 0.010 4.331 4.320 0.001 0.000 0.209 314 A C 0.404 177.793 177.584 -0.325 0.000 1.161 314 A CA -0.111 51.710 52.037 -0.361 0.000 0.782 314 A CB -0.794 17.906 19.000 -0.501 0.000 0.816 314 A HN 0.532 nan 8.150 nan 0.000 0.477 315 H N 0.512 119.477 119.070 -0.176 0.000 2.934 315 H HA 0.093 4.650 4.556 0.000 0.000 0.273 315 H C 0.953 176.132 175.328 -0.248 0.000 1.121 315 H CA 0.177 56.111 56.048 -0.189 0.000 1.451 315 H CB 0.868 30.523 29.762 -0.178 0.000 1.469 315 H HN 0.636 nan 8.280 nan 0.000 0.476 316 E N 2.829 122.930 120.200 -0.164 0.000 2.219 316 E HA -0.136 4.214 4.350 0.001 0.000 0.198 316 E C 1.278 177.614 176.600 -0.440 0.000 0.998 316 E CA 0.710 56.948 56.400 -0.270 0.000 0.818 316 E CB 0.389 29.902 29.700 -0.312 0.000 0.741 316 E HN 0.378 nan 8.360 nan 0.000 0.477 317 V N 0.014 119.646 119.914 -0.471 0.000 2.358 317 V HA -0.222 3.898 4.120 0.001 0.000 0.246 317 V C 2.281 177.677 176.094 -1.163 0.000 1.047 317 V CA 1.332 63.208 62.300 -0.708 0.000 1.035 317 V CB -0.041 31.426 31.823 -0.593 0.000 0.658 317 V HN 0.222 nan 8.190 nan 0.000 0.452 318 V N 0.216 119.582 119.914 -0.913 0.000 2.307 318 V HA -0.224 3.897 4.120 0.001 0.000 0.245 318 V C 2.720 178.590 176.094 -0.374 0.000 1.045 318 V CA 1.833 63.655 62.300 -0.797 0.000 1.024 318 V CB -1.148 30.478 31.823 -0.328 0.000 0.651 318 V HN 0.549 nan 8.190 nan 0.000 0.449 319 A N -0.719 121.982 122.820 -0.199 0.000 1.903 319 A HA -0.320 4.000 4.320 0.001 0.000 0.219 319 A C 2.060 179.651 177.584 0.010 0.000 1.191 319 A CA 2.340 54.364 52.037 -0.021 0.000 0.638 319 A CB -1.037 17.994 19.000 0.051 0.000 0.823 319 A HN 0.735 nan 8.150 nan 0.000 0.451 320 H N -2.803 116.104 119.070 -0.272 0.000 2.491 320 H HA -0.151 4.405 4.556 0.000 0.000 0.290 320 H C 1.785 176.974 175.328 -0.232 0.000 1.050 320 H CA 0.779 56.694 56.048 -0.221 0.000 1.309 320 H CB -0.004 29.634 29.762 -0.206 0.000 1.392 320 H HN 0.720 nan 8.280 nan 0.000 0.554 321 W N 0.877 121.961 121.300 -0.361 0.000 2.418 321 W HA -0.030 4.630 4.660 0.001 0.000 0.292 321 W C 2.159 178.468 176.519 -0.350 0.000 1.213 321 W CA 0.147 57.017 57.345 -0.793 0.000 1.283 321 W CB -0.919 27.940 29.460 -1.002 0.000 1.119 321 W HN 0.165 nan 8.180 nan 0.000 0.542 322 I N 0.693 121.301 120.570 0.064 0.000 2.163 322 I HA -0.328 3.842 4.170 0.001 0.000 0.243 322 I C 2.598 178.747 176.117 0.054 0.000 1.085 322 I CA 1.903 63.251 61.300 0.079 0.000 1.347 322 I CB -1.006 37.028 38.000 0.057 0.000 1.044 322 I HN -0.152 nan 8.210 nan 0.000 0.408 323 A N 0.282 123.105 122.820 0.005 0.000 1.873 323 A HA -0.186 4.134 4.320 0.001 0.000 0.215 323 A C 2.234 179.831 177.584 0.022 0.000 1.186 323 A CA 1.424 53.451 52.037 -0.018 0.000 0.616 323 A CB -0.486 18.454 19.000 -0.101 0.000 0.823 323 A HN 0.348 nan 8.150 nan 0.000 0.442 324 E N 0.442 120.663 120.200 0.035 0.000 2.160 324 E HA -0.131 4.219 4.350 0.001 0.000 0.195 324 E C 2.333 179.087 176.600 0.257 0.000 0.991 324 E CA 1.371 57.860 56.400 0.148 0.000 0.810 324 E CB -0.436 29.384 29.700 0.201 0.000 0.742 324 E HN 0.578 nan 8.360 nan 0.000 0.466 325 S N 0.854 116.721 115.700 0.278 0.000 2.348 325 S HA -0.173 4.297 4.470 0.001 0.000 0.221 325 S C 1.932 176.622 174.600 0.149 0.000 1.033 325 S CA 1.376 59.739 58.200 0.272 0.000 1.010 325 S CB -0.161 63.203 63.200 0.273 0.000 0.891 325 S HN 0.099 nan 8.310 nan 0.000 0.442 326 R N 1.791 122.353 120.500 0.103 0.000 2.096 326 R HA -0.009 4.332 4.340 0.001 0.000 0.240 326 R C 1.932 178.266 176.300 0.057 0.000 1.139 326 R CA 1.615 57.753 56.100 0.063 0.000 0.952 326 R CB -1.157 29.166 30.300 0.038 0.000 0.854 326 R HN 0.471 nan 8.270 nan 0.000 0.436 327 I N 0.346 120.952 120.570 0.060 0.000 2.151 327 I HA -0.304 3.866 4.170 0.001 0.000 0.243 327 I C 2.333 178.484 176.117 0.057 0.000 1.080 327 I CA 1.646 62.976 61.300 0.050 0.000 1.339 327 I CB -0.484 37.545 38.000 0.049 0.000 1.039 327 I HN 0.347 nan 8.210 nan 0.000 0.409 328 A N 0.732 123.602 122.820 0.083 0.000 1.933 328 A HA -0.145 4.175 4.320 0.001 0.000 0.218 328 A C 2.288 179.898 177.584 0.043 0.000 1.175 328 A CA 1.379 53.455 52.037 0.066 0.000 0.628 328 A CB -0.738 18.311 19.000 0.083 0.000 0.814 328 A HN 0.389 nan 8.150 nan 0.000 0.444 329 I N -0.326 120.272 120.570 0.048 0.000 2.142 329 I HA -0.217 3.953 4.170 0.001 0.000 0.240 329 I C 2.472 178.602 176.117 0.021 0.000 1.078 329 I CA 1.280 62.599 61.300 0.032 0.000 1.343 329 I CB -0.402 37.620 38.000 0.036 0.000 1.046 329 I HN 0.272 nan 8.210 nan 0.000 0.405 330 E N 1.212 121.425 120.200 0.022 0.000 2.058 330 E HA -0.251 4.099 4.350 0.001 0.000 0.194 330 E C 2.111 178.717 176.600 0.010 0.000 0.997 330 E CA 1.378 57.786 56.400 0.013 0.000 0.801 330 E CB -0.351 29.356 29.700 0.013 0.000 0.746 330 E HN 0.451 nan 8.360 nan 0.000 0.450 331 K N 0.543 120.952 120.400 0.014 0.000 2.020 331 K HA -0.148 4.172 4.320 0.001 0.000 0.212 331 K C 2.389 178.992 176.600 0.005 0.000 1.050 331 K CA 1.856 58.149 56.287 0.010 0.000 0.929 331 K CB -0.382 32.127 32.500 0.015 0.000 0.714 331 K HN 0.288 nan 8.250 nan 0.000 0.443 332 I N -1.747 118.826 120.570 0.005 0.000 2.617 332 I HA -0.118 4.052 4.170 0.001 0.000 0.256 332 I C 2.396 178.511 176.117 -0.003 0.000 1.167 332 I CA 0.869 62.168 61.300 -0.002 0.000 1.469 332 I CB -0.222 37.774 38.000 -0.006 0.000 1.098 332 I HN 0.022 nan 8.210 nan 0.000 0.436 333 R N 1.742 122.242 120.500 -0.000 0.000 2.070 333 R HA -0.109 4.231 4.340 0.001 0.000 0.233 333 R C 2.332 178.631 176.300 -0.002 0.000 1.137 333 R CA 1.924 58.023 56.100 -0.002 0.000 0.945 333 R CB -0.391 29.908 30.300 -0.002 0.000 0.845 333 R HN 0.435 nan 8.270 nan 0.000 0.430 334 L N 0.656 121.878 121.223 -0.002 0.000 2.042 334 L HA -0.214 4.126 4.340 0.001 0.000 0.210 334 L C 2.516 179.385 176.870 -0.001 0.000 1.076 334 L CA 0.813 55.651 54.840 -0.004 0.000 0.749 334 L CB -0.427 41.629 42.059 -0.005 0.000 0.893 334 L HN 0.261 nan 8.230 nan 0.000 0.432 335 L N -0.757 120.465 121.223 -0.002 0.000 2.141 335 L HA -0.142 4.198 4.340 0.001 0.000 0.209 335 L C 2.440 179.309 176.870 -0.001 0.000 1.094 335 L CA 1.794 56.633 54.840 -0.002 0.000 0.763 335 L CB -0.553 41.502 42.059 -0.007 0.000 0.908 335 L HN 0.179 nan 8.230 nan 0.000 0.437 336 T N -0.536 114.017 114.554 -0.001 0.000 2.737 336 T HA -0.161 4.189 4.350 0.001 0.000 0.265 336 T C 1.932 176.643 174.700 0.018 0.000 1.038 336 T CA 1.711 63.813 62.100 0.002 0.000 1.144 336 T CB -0.313 68.555 68.868 0.000 0.000 0.866 336 T HN 0.259 nan 8.240 nan 0.000 0.434 337 L N 0.780 122.015 121.223 0.019 0.000 2.017 337 L HA -0.117 4.223 4.340 0.001 0.000 0.208 337 L C 2.650 179.555 176.870 0.058 0.000 1.073 337 L CA 1.317 56.178 54.840 0.035 0.000 0.745 337 L CB -0.526 41.542 42.059 0.014 0.000 0.894 337 L HN 0.200 nan 8.230 nan 0.000 0.432 338 K N 0.833 121.255 120.400 0.038 0.000 2.059 338 K HA -0.229 4.092 4.320 0.001 0.000 0.212 338 K C 1.989 178.639 176.600 0.082 0.000 1.050 338 K CA 1.939 58.261 56.287 0.059 0.000 0.927 338 K CB -0.433 32.084 32.500 0.028 0.000 0.714 338 K HN 0.243 nan 8.250 nan 0.000 0.447 339 A N 0.590 123.433 122.820 0.039 0.000 1.858 339 A HA -0.029 4.292 4.320 0.001 0.000 0.216 339 A C 2.462 180.055 177.584 0.015 0.000 1.190 339 A CA 2.205 54.249 52.037 0.011 0.000 0.617 339 A CB -1.332 17.657 19.000 -0.019 0.000 0.827 339 A HN 0.506 nan 8.150 nan 0.000 0.443 340 A N -0.788 122.060 122.820 0.045 0.000 1.892 340 A HA -0.272 4.048 4.320 0.001 0.000 0.218 340 A C 2.052 179.704 177.584 0.113 0.000 1.188 340 A CA 2.380 54.465 52.037 0.080 0.000 0.631 340 A CB -0.989 18.092 19.000 0.135 0.000 0.822 340 A HN 0.822 nan 8.150 nan 0.000 0.447 341 H N -0.294 118.798 119.070 0.037 0.000 2.423 341 H HA -0.004 4.552 4.556 0.001 0.000 0.297 341 H C 2.186 177.529 175.328 0.025 0.000 1.075 341 H CA 1.679 57.750 56.048 0.038 0.000 1.342 341 H CB -0.075 29.701 29.762 0.025 0.000 1.395 341 H HN 0.394 nan 8.280 nan 0.000 0.530 342 S N -0.076 115.611 115.700 -0.022 0.000 2.356 342 S HA -0.161 4.309 4.470 0.001 0.000 0.223 342 S C 2.145 176.683 174.600 -0.103 0.000 1.032 342 S CA 1.498 59.649 58.200 -0.082 0.000 1.005 342 S CB -0.198 62.987 63.200 -0.025 0.000 0.867 342 S HN 0.459 nan 8.310 nan 0.000 0.449 343 M N 1.188 120.732 119.600 -0.093 0.000 2.108 343 M HA -0.157 4.323 4.480 0.001 0.000 0.261 343 M C 1.644 177.927 176.300 -0.029 0.000 1.066 343 M CA 1.285 56.506 55.300 -0.132 0.000 1.107 343 M CB -0.632 31.761 32.600 -0.344 0.000 1.356 343 M HN 0.139 nan 8.290 nan 0.000 0.406 344 D N -0.001 120.422 120.400 0.039 0.000 2.149 344 D HA -0.125 4.515 4.640 0.001 0.000 0.198 344 D C 2.074 178.345 176.300 -0.049 0.000 0.990 344 D CA 2.084 56.120 54.000 0.061 0.000 0.839 344 D CB -0.232 40.583 40.800 0.025 0.000 0.948 344 D HN 0.467 nan 8.370 nan 0.000 0.460 345 T N -2.896 111.571 114.554 -0.144 0.000 3.022 345 T HA 0.201 4.552 4.350 0.001 0.000 0.250 345 T C 1.700 176.351 174.700 -0.082 0.000 1.060 345 T CA -0.017 62.001 62.100 -0.136 0.000 1.013 345 T CB 0.138 68.870 68.868 -0.228 0.000 0.982 345 T HN 0.082 nan 8.240 nan 0.000 0.508 346 L N 0.124 121.305 121.223 -0.071 0.000 2.993 346 L HA 0.513 4.853 4.340 0.001 0.000 0.264 346 L C 1.246 178.096 176.870 -0.033 0.000 1.154 346 L CA -0.027 54.785 54.840 -0.046 0.000 0.972 346 L CB 0.112 42.143 42.059 -0.047 0.000 1.373 346 L HN 0.560 nan 8.230 nan 0.000 0.564 347 G N 1.101 109.881 108.800 -0.034 0.000 2.787 347 G HA2 -0.280 3.680 3.960 0.001 0.000 0.685 347 G HA3 -0.280 3.680 3.960 0.001 0.000 0.685 347 G C 0.608 175.474 174.900 -0.058 0.000 1.437 347 G CA 0.025 45.108 45.100 -0.030 0.000 0.872 347 G HN 0.272 nan 8.290 nan 0.000 0.566 348 S N -0.467 115.191 115.700 -0.069 0.000 2.489 348 S HA 0.299 4.769 4.470 0.001 0.000 0.228 348 S C 2.527 177.097 174.600 -0.049 0.000 0.995 348 S CA 1.547 59.693 58.200 -0.091 0.000 0.934 348 S CB -0.017 63.113 63.200 -0.117 0.000 0.771 348 S HN 2.169 nan 8.310 nan 0.000 0.522 349 A N 1.866 124.674 122.820 -0.022 0.000 1.872 349 A HA 0.342 4.662 4.320 0.001 0.000 0.214 349 A C 2.341 179.918 177.584 -0.012 0.000 1.187 349 A CA 1.135 53.169 52.037 -0.006 0.000 0.614 349 A CB -1.618 17.390 19.000 0.012 0.000 0.826 349 A HN 0.650 nan 8.150 nan 0.000 0.442 350 G N -1.077 107.713 108.800 -0.017 0.000 2.559 350 G HA2 0.188 4.148 3.960 0.001 0.000 0.216 350 G HA3 0.188 4.148 3.960 0.001 0.000 0.216 350 G C 1.070 175.954 174.900 -0.025 0.000 1.126 350 G CA 1.001 46.090 45.100 -0.018 0.000 0.778 350 G HN 0.843 nan 8.290 nan 0.000 0.543 351 A N -0.370 122.428 122.820 -0.038 0.000 2.465 351 A HA 0.426 4.746 4.320 0.001 0.000 0.255 351 A C 1.771 179.331 177.584 -0.041 0.000 1.274 351 A CA 0.616 52.627 52.037 -0.045 0.000 0.920 351 A CB -0.086 18.873 19.000 -0.069 0.000 1.033 351 A HN 0.286 nan 8.150 nan 0.000 0.516 352 K N 0.975 121.357 120.400 -0.030 0.000 2.049 352 K HA -0.300 4.021 4.320 0.001 0.000 0.219 352 K C 2.036 178.623 176.600 -0.022 0.000 1.056 352 K CA 2.324 58.598 56.287 -0.021 0.000 0.946 352 K CB -0.175 32.322 32.500 -0.004 0.000 0.723 352 K HN 0.464 nan 8.250 nan 0.000 0.453 353 K N 0.388 120.780 120.400 -0.014 0.000 2.009 353 K HA -0.211 4.109 4.320 0.001 0.000 0.210 353 K C 1.931 178.517 176.600 -0.024 0.000 1.049 353 K CA 2.194 58.475 56.287 -0.011 0.000 0.929 353 K CB -0.008 32.489 32.500 -0.004 0.000 0.714 353 K HN 0.138 nan 8.250 nan 0.000 0.440 354 E N 0.463 120.648 120.200 -0.026 0.000 2.150 354 E HA -0.120 4.231 4.350 0.001 0.000 0.193 354 E C 1.820 178.389 176.600 -0.052 0.000 0.985 354 E CA 1.042 57.424 56.400 -0.029 0.000 0.814 354 E CB -0.029 29.661 29.700 -0.017 0.000 0.752 354 E HN 0.364 nan 8.360 nan 0.000 0.466 355 I N 0.479 121.008 120.570 -0.069 0.000 2.202 355 I HA -0.254 3.917 4.170 0.001 0.000 0.242 355 I C 2.317 178.344 176.117 -0.149 0.000 1.091 355 I CA 0.967 62.205 61.300 -0.103 0.000 1.368 355 I CB -0.349 37.586 38.000 -0.109 0.000 1.058 355 I HN 0.102 nan 8.210 nan 0.000 0.410 356 A N 0.745 123.481 122.820 -0.140 0.000 1.884 356 A HA -0.301 4.020 4.320 0.001 0.000 0.219 356 A C 2.397 179.896 177.584 -0.140 0.000 1.197 356 A CA 2.108 54.035 52.037 -0.183 0.000 0.637 356 A CB -0.760 18.218 19.000 -0.037 0.000 0.827 356 A HN 0.355 nan 8.150 nan 0.000 0.450 357 M N -1.684 117.872 119.600 -0.074 0.000 2.080 357 M HA -0.170 4.310 4.480 0.001 0.000 0.260 357 M C 2.205 178.469 176.300 -0.060 0.000 1.068 357 M CA 1.780 57.051 55.300 -0.049 0.000 1.109 357 M CB -0.401 32.182 32.600 -0.028 0.000 1.342 357 M HN 0.496 nan 8.290 nan 0.000 0.405 358 I N 0.416 120.943 120.570 -0.072 0.000 2.439 358 I HA -0.194 3.976 4.170 0.001 0.000 0.251 358 I C 2.181 178.245 176.117 -0.088 0.000 1.139 358 I CA 1.559 62.821 61.300 -0.065 0.000 1.438 358 I CB -0.453 37.516 38.000 -0.050 0.000 1.085 358 I HN 0.056 nan 8.210 nan 0.000 0.427 359 K N 0.241 120.550 120.400 -0.151 0.000 2.152 359 K HA -0.085 4.235 4.320 0.001 0.000 0.206 359 K C 1.857 178.382 176.600 -0.126 0.000 1.048 359 K CA 1.882 58.051 56.287 -0.196 0.000 0.933 359 K CB -0.596 31.629 32.500 -0.458 0.000 0.721 359 K HN 0.278 nan 8.250 nan 0.000 0.447 360 V N 0.328 120.185 119.914 -0.095 0.000 2.273 360 V HA -0.089 4.031 4.120 0.001 0.000 0.242 360 V C 2.317 178.389 176.094 -0.036 0.000 1.035 360 V CA 1.701 63.983 62.300 -0.030 0.000 1.013 360 V CB -0.879 30.941 31.823 -0.004 0.000 0.652 360 V HN 0.414 nan 8.190 nan 0.000 0.452 361 A N 0.230 123.027 122.820 -0.038 0.000 1.865 361 A HA -0.161 4.159 4.320 0.001 0.000 0.217 361 A C 2.415 179.975 177.584 -0.039 0.000 1.191 361 A CA 2.465 54.482 52.037 -0.032 0.000 0.623 361 A CB -0.999 17.986 19.000 -0.026 0.000 0.826 361 A HN 0.566 nan 8.150 nan 0.000 0.444 362 A N 0.122 122.916 122.820 -0.042 0.000 1.845 362 A HA -0.026 4.294 4.320 0.001 0.000 0.215 362 A C 0.339 177.890 177.584 -0.055 0.000 1.195 362 A CA 1.904 53.916 52.037 -0.041 0.000 0.616 362 A CB -1.795 17.184 19.000 -0.035 0.000 0.832 362 A HN 0.449 nan 8.150 nan 0.000 0.443 363 P HA -0.210 nan 4.420 nan 0.000 0.215 363 P C 1.631 178.870 177.300 -0.101 0.000 1.153 363 P CA 1.772 64.816 63.100 -0.093 0.000 0.853 363 P CB -0.231 31.407 31.700 -0.103 0.000 0.788 364 R N -0.164 120.284 120.500 -0.086 0.000 2.092 364 R HA 0.038 4.378 4.340 0.001 0.000 0.231 364 R C 2.127 178.365 176.300 -0.104 0.000 1.119 364 R CA 1.542 57.587 56.100 -0.090 0.000 0.970 364 R CB -1.488 28.771 30.300 -0.069 0.000 0.864 364 R HN 0.014 nan 8.270 nan 0.000 0.440 365 A N 1.578 124.346 122.820 -0.085 0.000 1.858 365 A HA -0.067 4.253 4.320 0.001 0.000 0.216 365 A C 2.424 179.945 177.584 -0.104 0.000 1.190 365 A CA 1.717 53.701 52.037 -0.088 0.000 0.617 365 A CB -0.619 18.353 19.000 -0.047 0.000 0.827 365 A HN 0.177 nan 8.150 nan 0.000 0.443 366 V N -0.536 119.331 119.914 -0.078 0.000 2.427 366 V HA -0.187 3.934 4.120 0.001 0.000 0.248 366 V C 2.717 178.761 176.094 -0.083 0.000 1.051 366 V CA 2.046 64.307 62.300 -0.064 0.000 1.048 366 V CB -0.784 31.011 31.823 -0.047 0.000 0.666 366 V HN 0.632 nan 8.190 nan 0.000 0.456 367 S N -0.342 115.293 115.700 -0.109 0.000 2.368 367 S HA -0.349 4.121 4.470 0.001 0.000 0.226 367 S C 2.163 176.717 174.600 -0.078 0.000 1.044 367 S CA 2.442 60.587 58.200 -0.091 0.000 1.062 367 S CB -0.303 62.820 63.200 -0.127 0.000 0.931 367 S HN 0.612 nan 8.310 nan 0.000 0.440 368 K N 0.160 120.418 120.400 -0.236 0.000 2.063 368 K HA -0.059 4.261 4.320 0.001 0.000 0.208 368 K C 2.047 178.252 176.600 -0.659 0.000 1.048 368 K CA 1.669 57.632 56.287 -0.539 0.000 0.928 368 K CB -0.284 31.833 32.500 -0.639 0.000 0.713 368 K HN 0.449 nan 8.250 nan 0.000 0.442 369 I N 0.449 120.826 120.570 -0.321 0.000 2.226 369 I HA -0.268 3.903 4.170 0.001 0.000 0.245 369 I C 2.109 178.232 176.117 0.011 0.000 1.100 369 I CA 0.880 62.152 61.300 -0.046 0.000 1.374 369 I CB -0.110 37.924 38.000 0.056 0.000 1.057 369 I HN -0.008 nan 8.210 nan 0.000 0.413 370 V N 0.526 120.429 119.914 -0.018 0.000 2.358 370 V HA -0.307 3.814 4.120 0.001 0.000 0.246 370 V C 2.127 178.210 176.094 -0.018 0.000 1.047 370 V CA 2.246 64.564 62.300 0.030 0.000 1.035 370 V CB -0.653 31.222 31.823 0.087 0.000 0.658 370 V HN 0.427 nan 8.190 nan 0.000 0.452 371 D N -1.012 119.325 120.400 -0.105 0.000 2.144 371 D HA -0.199 4.441 4.640 0.001 0.000 0.199 371 D C 1.957 178.130 176.300 -0.211 0.000 0.984 371 D CA 1.280 55.132 54.000 -0.246 0.000 0.834 371 D CB -0.082 40.503 40.800 -0.357 0.000 0.955 371 D HN 0.460 nan 8.370 nan 0.000 0.465 372 W N 0.927 122.037 121.300 -0.315 0.000 2.381 372 W HA 0.127 4.787 4.660 0.001 0.000 0.301 372 W C 2.487 178.865 176.519 -0.235 0.000 1.205 372 W CA 0.946 57.998 57.345 -0.487 0.000 1.285 372 W CB -1.255 27.904 29.460 -0.501 0.000 1.133 372 W HN 0.046 nan 8.180 nan 0.000 0.521 373 A N 0.304 123.203 122.820 0.131 0.000 1.940 373 A HA -0.191 4.129 4.320 0.001 0.000 0.219 373 A C 2.034 179.609 177.584 -0.014 0.000 1.176 373 A CA 1.852 53.934 52.037 0.075 0.000 0.631 373 A CB -0.967 18.071 19.000 0.063 0.000 0.814 373 A HN 0.223 nan 8.150 nan 0.000 0.446 374 I N -1.057 119.482 120.570 -0.052 0.000 2.179 374 I HA -0.286 3.885 4.170 0.001 0.000 0.242 374 I C 2.755 178.826 176.117 -0.075 0.000 1.088 374 I CA 1.784 63.029 61.300 -0.093 0.000 1.357 374 I CB -0.243 37.681 38.000 -0.127 0.000 1.051 374 I HN 0.363 nan 8.210 nan 0.000 0.409 375 Q N 0.583 120.347 119.800 -0.061 0.000 2.124 375 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 375 Q C 2.087 178.140 176.000 0.088 0.000 0.977 375 Q CA 1.715 57.510 55.803 -0.012 0.000 0.850 375 Q CB -0.262 28.425 28.738 -0.086 0.000 0.901 375 Q HN 0.357 nan 8.270 nan 0.000 0.429 376 V N -0.934 119.056 119.914 0.127 0.000 2.515 376 V HA -0.240 3.881 4.120 0.001 0.000 0.250 376 V C 2.036 178.157 176.094 0.044 0.000 1.058 376 V CA 1.515 63.916 62.300 0.169 0.000 1.064 376 V CB -0.348 31.599 31.823 0.207 0.000 0.675 376 V HN 0.468 nan 8.190 nan 0.000 0.461 377 C N 0.103 119.372 119.300 -0.051 0.000 2.576 377 C HA 0.451 4.911 4.460 0.001 0.000 0.267 377 C C 1.740 176.686 174.990 -0.073 0.000 1.364 377 C CA 0.108 59.036 59.018 -0.150 0.000 1.723 377 C CB -1.833 25.667 27.740 -0.400 0.000 1.778 377 C HN 0.831 nan 8.230 nan 0.000 0.572 378 G N 0.698 109.484 108.800 -0.023 0.000 2.569 378 G HA2 -0.140 3.820 3.960 0.001 0.000 0.259 378 G HA3 -0.140 3.820 3.960 0.001 0.000 0.259 378 G C 0.896 175.788 174.900 -0.012 0.000 1.263 378 G CA 0.063 45.161 45.100 -0.003 0.000 0.928 378 G HN 0.611 nan 8.290 nan 0.000 0.572 379 G N -0.219 108.584 108.800 0.003 0.000 2.462 379 G HA2 0.205 4.165 3.960 0.001 0.000 0.220 379 G HA3 0.205 4.165 3.960 0.001 0.000 0.220 379 G C 2.110 177.026 174.900 0.025 0.000 1.121 379 G CA 2.839 47.944 45.100 0.009 0.000 0.758 379 G HN 1.964 nan 8.290 nan 0.000 0.559 380 A N 0.789 123.634 122.820 0.041 0.000 2.019 380 A HA 0.165 4.485 4.320 0.001 0.000 0.219 380 A C 2.639 180.271 177.584 0.081 0.000 1.164 380 A CA 1.877 53.981 52.037 0.112 0.000 0.644 380 A CB -0.792 18.322 19.000 0.189 0.000 0.805 380 A HN 0.506 nan 8.150 nan 0.000 0.449 381 G N -0.357 108.416 108.800 -0.044 0.000 2.448 381 G HA2 -0.046 3.914 3.960 0.001 0.000 0.219 381 G HA3 -0.046 3.914 3.960 0.001 0.000 0.219 381 G C 1.320 176.213 174.900 -0.011 0.000 1.127 381 G CA 1.472 46.522 45.100 -0.084 0.000 0.766 381 G HN 1.049 nan 8.290 nan 0.000 0.552 382 V N -0.615 119.301 119.914 0.004 0.000 3.647 382 V HA 0.304 4.424 4.120 0.001 0.000 0.279 382 V C 1.186 177.320 176.094 0.066 0.000 1.314 382 V CA 0.370 62.678 62.300 0.013 0.000 1.125 382 V CB -0.401 31.404 31.823 -0.030 0.000 0.907 382 V HN 0.343 nan 8.190 nan 0.000 0.434 383 S N 1.101 116.861 115.700 0.100 0.000 2.681 383 S HA 0.250 4.720 4.470 0.001 0.000 0.270 383 S C 1.103 175.797 174.600 0.156 0.000 1.209 383 S CA 0.096 58.367 58.200 0.118 0.000 0.988 383 S CB 1.184 64.455 63.200 0.118 0.000 1.006 383 S HN 0.592 nan 8.310 nan 0.000 0.558 384 Q N -0.165 119.714 119.800 0.132 0.000 2.472 384 Q HA -0.030 4.311 4.340 0.001 0.000 0.208 384 Q C -0.183 175.879 176.000 0.104 0.000 0.958 384 Q CA 0.933 56.820 55.803 0.140 0.000 0.932 384 Q CB -0.535 28.272 28.738 0.114 0.000 1.007 384 Q HN 0.686 nan 8.270 nan 0.000 0.508 385 D N -0.090 120.366 120.400 0.094 0.000 2.363 385 D HA 0.067 4.707 4.640 0.001 0.000 0.220 385 D C -0.496 175.692 176.300 -0.187 0.000 0.994 385 D CA 0.625 54.614 54.000 -0.018 0.000 0.890 385 D CB 0.052 40.855 40.800 0.005 0.000 0.906 385 D HN 0.244 nan 8.370 nan 0.000 0.530 386 Y N -1.092 119.240 120.300 0.053 0.000 2.576 386 Y HA 0.306 4.856 4.550 0.000 0.000 0.346 386 Y C -1.706 174.211 175.900 0.030 0.000 1.018 386 Y CA -1.900 56.225 58.100 0.043 0.000 1.050 386 Y CB 2.049 40.534 38.460 0.042 0.000 1.280 386 Y HN -0.273 nan 8.280 nan 0.000 0.474 387 P HA 0.117 nan 4.420 nan 0.000 0.257 387 P C 0.642 177.982 177.300 0.067 0.000 1.281 387 P CA 0.580 63.716 63.100 0.060 0.000 0.826 387 P CB 0.388 32.108 31.700 0.034 0.000 1.237 388 L N -0.114 121.185 121.223 0.127 0.000 2.056 388 L HA -0.085 4.255 4.340 0.001 0.000 0.207 388 L C 2.700 179.623 176.870 0.087 0.000 1.078 388 L CA 1.524 56.415 54.840 0.084 0.000 0.749 388 L CB -1.156 40.932 42.059 0.049 0.000 0.901 388 L HN -0.043 nan 8.230 nan 0.000 0.433 389 A N 0.122 123.007 122.820 0.108 0.000 1.902 389 A HA -0.219 4.101 4.320 0.001 0.000 0.217 389 A C 2.141 179.829 177.584 0.173 0.000 1.181 389 A CA 1.839 53.971 52.037 0.158 0.000 0.623 389 A CB -0.606 18.519 19.000 0.209 0.000 0.818 389 A HN 0.442 nan 8.150 nan 0.000 0.443 390 N N -0.411 118.291 118.700 0.002 0.000 2.058 390 N HA -0.143 4.597 4.740 0.001 0.000 0.191 390 N C 1.860 177.301 175.510 -0.116 0.000 1.037 390 N CA 1.860 54.756 53.050 -0.258 0.000 0.848 390 N CB -0.358 37.892 38.487 -0.395 0.000 1.021 390 N HN 0.545 nan 8.380 nan 0.000 0.422 391 M N -0.350 119.221 119.600 -0.048 0.000 2.106 391 M HA -0.245 4.235 4.480 0.001 0.000 0.259 391 M C 2.137 178.433 176.300 -0.007 0.000 1.068 391 M CA 1.564 56.853 55.300 -0.018 0.000 1.100 391 M CB -0.543 32.065 32.600 0.014 0.000 1.351 391 M HN 0.184 nan 8.290 nan 0.000 0.404 392 Y N 0.838 121.110 120.300 -0.046 0.000 2.145 392 Y HA -0.238 4.312 4.550 0.001 0.000 0.286 392 Y C 2.433 178.325 175.900 -0.013 0.000 1.145 392 Y CA 1.730 59.794 58.100 -0.059 0.000 1.148 392 Y CB -0.536 37.861 38.460 -0.104 0.000 0.981 392 Y HN 0.173 nan 8.280 nan 0.000 0.507 393 A N 0.469 123.307 122.820 0.030 0.000 1.917 393 A HA -0.235 4.085 4.320 0.001 0.000 0.219 393 A C 2.278 179.844 177.584 -0.030 0.000 1.182 393 A CA 2.254 54.374 52.037 0.139 0.000 0.633 393 A CB -1.260 17.963 19.000 0.372 0.000 0.819 393 A HN 0.608 nan 8.150 nan 0.000 0.448 394 I N 0.048 120.568 120.570 -0.083 0.000 2.179 394 I HA -0.256 3.915 4.170 0.001 0.000 0.242 394 I C 2.922 178.932 176.117 -0.178 0.000 1.088 394 I CA 1.938 63.173 61.300 -0.109 0.000 1.357 394 I CB -0.606 37.346 38.000 -0.080 0.000 1.051 394 I HN 0.570 nan 8.210 nan 0.000 0.409 395 T N -1.136 113.283 114.554 -0.225 0.000 2.821 395 T HA -0.201 4.149 4.350 0.001 0.000 0.267 395 T C 2.001 176.518 174.700 -0.304 0.000 1.046 395 T CA 1.039 62.989 62.100 -0.250 0.000 1.139 395 T CB -0.306 68.422 68.868 -0.233 0.000 0.871 395 T HN 0.098 nan 8.240 nan 0.000 0.454 396 R N 1.077 121.322 120.500 -0.426 0.000 2.091 396 R HA 0.061 4.402 4.340 0.001 0.000 0.238 396 R C 2.243 178.418 176.300 -0.208 0.000 1.136 396 R CA 1.366 57.269 56.100 -0.329 0.000 0.959 396 R CB -1.276 28.863 30.300 -0.269 0.000 0.856 396 R HN 0.384 nan 8.270 nan 0.000 0.437 397 V N 0.450 120.237 119.914 -0.211 0.000 2.667 397 V HA -0.106 4.014 4.120 0.001 0.000 0.252 397 V C 1.990 177.924 176.094 -0.267 0.000 1.065 397 V CA 1.304 63.448 62.300 -0.261 0.000 1.083 397 V CB -0.293 31.365 31.823 -0.276 0.000 0.692 397 V HN 0.302 nan 8.190 nan 0.000 0.468 398 L N -0.500 120.576 121.223 -0.245 0.000 2.465 398 L HA -0.038 4.303 4.340 0.001 0.000 0.224 398 L C 2.373 179.148 176.870 -0.159 0.000 1.145 398 L CA 0.880 55.580 54.840 -0.234 0.000 0.834 398 L CB -0.389 41.526 42.059 -0.240 0.000 0.944 398 L HN 0.274 nan 8.230 nan 0.000 0.451 399 R N -0.613 119.797 120.500 -0.150 0.000 2.307 399 R HA 0.037 4.377 4.340 0.001 0.000 0.199 399 R C 1.536 177.774 176.300 -0.103 0.000 1.000 399 R CA 0.592 56.630 56.100 -0.102 0.000 1.023 399 R CB 0.146 30.388 30.300 -0.097 0.000 0.908 399 R HN 0.358 nan 8.270 nan 0.000 0.473 400 L N -0.556 120.572 121.223 -0.158 0.000 2.519 400 L HA 0.307 4.647 4.340 0.001 0.000 0.194 400 L C 0.959 177.722 176.870 -0.179 0.000 1.072 400 L CA -0.160 54.569 54.840 -0.186 0.000 0.845 400 L CB -0.223 41.670 42.059 -0.277 0.000 1.138 400 L HN 0.007 nan 8.230 nan 0.000 0.487 401 A N 0.165 122.854 122.820 -0.218 0.000 2.507 401 A HA 0.025 4.346 4.320 0.001 0.000 0.235 401 A C 0.384 177.939 177.584 -0.048 0.000 1.070 401 A CA 0.264 52.200 52.037 -0.169 0.000 0.768 401 A CB -0.144 18.730 19.000 -0.210 0.000 1.011 401 A HN 0.559 nan 8.150 nan 0.000 0.502 402 D N -0.983 119.435 120.400 0.029 0.000 2.955 402 D HA -0.132 4.508 4.640 0.001 0.000 0.226 402 D C 0.511 176.905 176.300 0.157 0.000 1.178 402 D CA 2.835 56.902 54.000 0.112 0.000 0.808 402 D CB -1.528 39.359 40.800 0.145 0.000 1.099 402 D HN 2.106 nan 8.370 nan 0.000 0.421 403 G N -1.276 107.558 108.800 0.056 0.000 3.367 403 G HA2 0.085 4.045 3.960 0.001 0.000 0.686 403 G HA3 0.085 4.045 3.960 0.001 0.000 0.686 403 G C -3.050 171.802 174.900 -0.081 0.000 1.146 403 G CA -0.777 44.287 45.100 -0.061 0.000 0.913 403 G HN 0.045 nan 8.290 nan 0.000 0.554 404 P HA 0.276 nan 4.420 nan 0.000 0.274 404 P C 0.608 177.867 177.300 -0.070 0.000 1.231 404 P CA -0.401 62.640 63.100 -0.098 0.000 0.790 404 P CB 0.770 32.406 31.700 -0.107 0.000 0.951 405 D N 1.466 121.867 120.400 0.003 0.000 2.126 405 D HA -0.203 4.437 4.640 0.001 0.000 0.190 405 D C 1.500 177.809 176.300 0.015 0.000 1.001 405 D CA 1.742 55.772 54.000 0.050 0.000 0.841 405 D CB -0.510 40.298 40.800 0.013 0.000 0.949 405 D HN 0.475 nan 8.370 nan 0.000 0.446 406 E N 0.196 120.380 120.200 -0.025 0.000 2.130 406 E HA -0.136 4.214 4.350 0.001 0.000 0.196 406 E C 2.273 178.841 176.600 -0.053 0.000 0.998 406 E CA 0.479 56.860 56.400 -0.031 0.000 0.806 406 E CB -0.359 29.320 29.700 -0.036 0.000 0.738 406 E HN 0.164 nan 8.360 nan 0.000 0.459 407 V N 0.770 120.612 119.914 -0.120 0.000 2.379 407 V HA -0.221 3.899 4.120 0.001 0.000 0.245 407 V C 1.986 177.984 176.094 -0.161 0.000 1.044 407 V CA 1.745 63.940 62.300 -0.175 0.000 1.036 407 V CB -0.530 31.129 31.823 -0.273 0.000 0.664 407 V HN 0.373 nan 8.190 nan 0.000 0.453 408 H N -0.435 118.622 119.070 -0.022 0.000 2.389 408 H HA 0.011 4.567 4.556 0.000 0.000 0.299 408 H C 2.340 177.657 175.328 -0.017 0.000 1.081 408 H CA 1.323 57.359 56.048 -0.020 0.000 1.345 408 H CB -0.204 29.544 29.762 -0.023 0.000 1.393 408 H HN 0.319 nan 8.280 nan 0.000 0.520 409 L N 0.077 121.355 121.223 0.092 0.000 2.012 409 L HA -0.193 4.147 4.340 0.001 0.000 0.210 409 L C 2.667 179.553 176.870 0.027 0.000 1.073 409 L CA 1.155 56.022 54.840 0.046 0.000 0.748 409 L CB -0.380 41.694 42.059 0.025 0.000 0.891 409 L HN 0.115 nan 8.230 nan 0.000 0.431 410 S N -0.488 115.218 115.700 0.011 0.000 2.370 410 S HA -0.234 4.236 4.470 0.001 0.000 0.226 410 S C 2.125 176.731 174.600 0.010 0.000 1.033 410 S CA 1.305 59.506 58.200 0.002 0.000 1.011 410 S CB -0.329 62.863 63.200 -0.013 0.000 0.852 410 S HN 0.527 nan 8.310 nan 0.000 0.457 411 A N 1.290 124.122 122.820 0.020 0.000 1.902 411 A HA -0.054 4.266 4.320 0.001 0.000 0.217 411 A C 2.053 179.654 177.584 0.029 0.000 1.181 411 A CA 1.257 53.312 52.037 0.029 0.000 0.623 411 A CB -0.710 18.322 19.000 0.054 0.000 0.818 411 A HN 0.501 nan 8.150 nan 0.000 0.443 412 I N -0.148 120.443 120.570 0.035 0.000 2.163 412 I HA -0.312 3.858 4.170 0.001 0.000 0.243 412 I C 3.008 179.135 176.117 0.016 0.000 1.085 412 I CA 1.128 62.443 61.300 0.024 0.000 1.347 412 I CB -0.455 37.560 38.000 0.024 0.000 1.044 412 I HN 0.362 nan 8.210 nan 0.000 0.408 413 A N 0.598 123.427 122.820 0.014 0.000 1.892 413 A HA -0.247 4.073 4.320 0.001 0.000 0.218 413 A C 2.402 179.991 177.584 0.008 0.000 1.188 413 A CA 2.733 54.776 52.037 0.010 0.000 0.631 413 A CB -1.263 17.742 19.000 0.008 0.000 0.822 413 A HN 0.425 nan 8.150 nan 0.000 0.447 414 T N 0.114 114.673 114.554 0.008 0.000 2.684 414 T HA -0.188 4.163 4.350 0.001 0.000 0.267 414 T C 1.964 176.669 174.700 0.008 0.000 1.036 414 T CA 1.886 63.991 62.100 0.007 0.000 1.148 414 T CB -0.342 68.529 68.868 0.006 0.000 0.863 414 T HN 0.449 nan 8.240 nan 0.000 0.436 415 M N 0.582 120.188 119.600 0.009 0.000 2.117 415 M HA -0.096 4.384 4.480 0.001 0.000 0.262 415 M C 2.507 178.811 176.300 0.007 0.000 1.065 415 M CA 1.471 56.776 55.300 0.008 0.000 1.114 415 M CB -0.334 32.272 32.600 0.010 0.000 1.361 415 M HN 0.139 nan 8.290 nan 0.000 0.408 416 E N 1.152 121.357 120.200 0.008 0.000 2.058 416 E HA -0.158 4.192 4.350 0.001 0.000 0.194 416 E C 1.741 178.345 176.600 0.006 0.000 0.997 416 E CA 1.518 57.922 56.400 0.007 0.000 0.801 416 E CB -0.424 29.280 29.700 0.007 0.000 0.746 416 E HN 0.476 nan 8.360 nan 0.000 0.450 417 L N -0.215 121.011 121.223 0.006 0.000 2.201 417 L HA -0.094 4.246 4.340 0.001 0.000 0.212 417 L C 2.629 179.502 176.870 0.005 0.000 1.105 417 L CA 1.054 55.897 54.840 0.005 0.000 0.775 417 L CB -0.220 41.842 42.059 0.005 0.000 0.913 417 L HN 0.072 nan 8.230 nan 0.000 0.440 418 R N -0.237 120.266 120.500 0.005 0.000 2.062 418 R HA -0.117 4.223 4.340 0.001 0.000 0.229 418 R C 1.910 178.212 176.300 0.005 0.000 1.128 418 R CA 1.432 57.535 56.100 0.005 0.000 0.960 418 R CB -0.209 30.095 30.300 0.005 0.000 0.855 418 R HN 0.303 nan 8.270 nan 0.000 0.432 419 D N 0.227 120.630 120.400 0.005 0.000 2.144 419 D HA -0.167 4.474 4.640 0.001 0.000 0.200 419 D C 1.865 178.168 176.300 0.005 0.000 0.978 419 D CA 1.065 55.068 54.000 0.005 0.000 0.833 419 D CB -0.181 40.623 40.800 0.005 0.000 0.961 419 D HN 0.060 nan 8.370 nan 0.000 0.470 420 Q N 0.642 120.445 119.800 0.005 0.000 2.135 420 Q HA -0.063 4.277 4.340 0.001 0.000 0.204 420 Q C 1.939 177.942 176.000 0.004 0.000 0.981 420 Q CA 1.748 57.554 55.803 0.005 0.000 0.856 420 Q CB -0.378 28.363 28.738 0.005 0.000 0.902 420 Q HN 0.249 nan 8.270 nan 0.000 0.425 421 A N 0.139 122.962 122.820 0.004 0.000 1.898 421 A HA -0.112 4.209 4.320 0.001 0.000 0.216 421 A C 2.281 179.868 177.584 0.004 0.000 1.181 421 A CA 2.213 54.253 52.037 0.004 0.000 0.620 421 A CB -1.111 17.891 19.000 0.004 0.000 0.819 421 A HN 0.410 nan 8.150 nan 0.000 0.442 422 K N -0.732 119.670 120.400 0.004 0.000 2.001 422 K HA -0.215 4.105 4.320 0.001 0.000 0.214 422 K C 2.456 179.059 176.600 0.004 0.000 1.050 422 K CA 2.952 59.241 56.287 0.004 0.000 0.934 422 K CB -1.725 30.778 32.500 0.005 0.000 0.718 422 K HN 0.770 nan 8.250 nan 0.000 0.443 423 R N -0.072 120.430 120.500 0.005 0.000 2.159 423 R HA 0.409 4.749 4.340 0.001 0.000 0.237 423 R C 2.100 178.403 176.300 0.004 0.000 1.131 423 R CA 1.856 57.958 56.100 0.005 0.000 0.982 423 R CB -1.836 28.467 30.300 0.005 0.000 0.868 423 R HN 1.075 nan 8.270 nan 0.000 0.453 424 L N 0.000 121.225 121.223 0.004 0.000 2.949 424 L HA 0.000 4.340 4.340 0.001 0.000 0.249 424 L CA 0.000 54.842 54.840 0.004 0.000 0.813 424 L CB 0.000 42.061 42.059 0.004 0.000 0.961 424 L HN 0.000 nan 8.230 nan 0.000 0.502