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 3e74_1_A DATA FIRST_RESID 2 DATA SEQUENCE SFDLIIKNGT VILENEARVV DIAVKGGKIA AIGQDLGDAK EVXDASGLVV DATA SEQUENCE SPGXVDAHTH IXXXXXXXXX GYETGTRAAA KGGITTXIEX PLNQLPATVD DATA SEQUENCE RASIELKFDA AKGKLTIDAA QLGGLVSYNI DRLHELDEVG VVGFXCFVXX DATA SEQUENCE XXXXXXXXXX RDVNDWQFFK GAQKLGELGQ PVLVHCENAL ICDELGEEAK DATA SEQUENCE REGRVTAHDY VASRPVFTEV EAIRRVLYLA KVAGCRLHVC HVSSPEGVEE DATA SEQUENCE VTRARQEGQD ITCESCPHYF VLDTDQFEEI GTLAKCSPPI RDLENQKGXW DATA SEQUENCE EKLFNGEIDC LVSDHSPCPP EXKAGNIXKA WGGIAGLQSC XDVXFDEAVQ DATA SEQUENCE KRGXSLPXFG KLXATNAADI FGLQQKGRIA PGKDADFVFI QPNSSYVLTN DATA SEQUENCE DDLEYRHKVS PYVGRTIGAR ITKTILRGDV IYDIEQGFPV APKGQFILKH 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.538 174.600 -0.104 0.000 1.055 2 S CA 0.000 58.100 58.200 -0.167 0.000 1.107 2 S CB 0.000 63.163 63.200 -0.062 0.000 0.593 3 F N 2.183 122.141 119.950 0.014 0.000 2.418 3 F HA 0.267 4.794 4.527 -0.000 0.000 0.341 3 F C 1.768 177.580 175.800 0.020 0.000 1.120 3 F CA -0.509 57.503 58.000 0.020 0.000 1.232 3 F CB 0.413 39.427 39.000 0.023 0.000 1.175 3 F HN 0.567 nan 8.300 nan 0.000 0.569 4 D N 0.722 121.261 120.400 0.232 0.000 2.194 4 D HA 0.018 4.658 4.640 -0.000 0.000 0.204 4 D C 0.315 176.683 176.300 0.114 0.000 0.964 4 D CA 1.196 55.275 54.000 0.131 0.000 0.846 4 D CB 0.448 41.306 40.800 0.097 0.000 0.962 4 D HN 0.192 nan 8.370 nan 0.000 0.490 5 L N 0.003 121.300 121.223 0.124 0.000 2.556 5 L HA 0.409 4.749 4.340 -0.000 0.000 0.257 5 L C -1.868 175.032 176.870 0.049 0.000 0.955 5 L CA -0.554 54.336 54.840 0.084 0.000 0.850 5 L CB 2.447 44.551 42.059 0.076 0.000 1.398 5 L HN -0.264 nan 8.230 nan 0.000 0.412 6 I N 4.153 124.743 120.570 0.033 0.000 2.534 6 I HA 0.399 4.569 4.170 -0.000 0.000 0.288 6 I C -0.773 175.332 176.117 -0.020 0.000 1.077 6 I CA -0.450 60.839 61.300 -0.018 0.000 1.051 6 I CB 2.385 40.389 38.000 0.006 0.000 1.234 6 I HN 0.430 nan 8.210 nan 0.000 0.425 7 I N 6.676 127.206 120.570 -0.066 0.000 2.321 7 I HA 0.348 4.518 4.170 -0.000 0.000 0.291 7 I C -0.206 175.837 176.117 -0.123 0.000 0.998 7 I CA -0.467 60.788 61.300 -0.075 0.000 1.227 7 I CB 0.906 38.834 38.000 -0.119 0.000 1.368 7 I HN 0.420 nan 8.210 nan 0.000 0.466 8 K N 5.172 125.509 120.400 -0.105 0.000 2.281 8 K HA 0.485 4.805 4.320 -0.000 0.000 0.242 8 K C 0.162 176.685 176.600 -0.129 0.000 0.971 8 K CA -0.862 55.363 56.287 -0.103 0.000 0.834 8 K CB 1.234 33.698 32.500 -0.061 0.000 1.181 8 K HN 0.553 nan 8.250 nan 0.000 0.435 9 N N -1.021 117.612 118.700 -0.112 0.000 2.857 9 N HA -0.159 4.581 4.740 -0.000 0.000 0.242 9 N C 0.123 175.545 175.510 -0.148 0.000 0.983 9 N CA 1.371 54.355 53.050 -0.111 0.000 0.934 9 N CB -1.513 36.919 38.487 -0.092 0.000 1.115 9 N HN 0.876 nan 8.380 nan 0.000 0.593 10 G N -0.153 108.524 108.800 -0.205 0.000 2.503 10 G HA2 0.406 4.366 3.960 -0.000 0.000 0.257 10 G HA3 0.406 4.366 3.960 -0.000 0.000 0.257 10 G C -0.114 174.683 174.900 -0.173 0.000 1.214 10 G CA 0.048 44.997 45.100 -0.251 0.000 0.839 10 G HN 0.065 nan 8.290 nan 0.000 0.559 11 T N 1.555 116.021 114.554 -0.147 0.000 2.863 11 T HA 0.292 4.642 4.350 -0.000 0.000 0.299 11 T C 0.504 175.158 174.700 -0.076 0.000 0.973 11 T CA -0.142 61.908 62.100 -0.083 0.000 0.994 11 T CB 0.236 69.075 68.868 -0.049 0.000 0.961 11 T HN 0.271 nan 8.240 nan 0.000 0.552 12 V N 5.648 125.520 119.914 -0.071 0.000 2.546 12 V HA 0.314 4.434 4.120 -0.000 0.000 0.284 12 V C 0.664 176.765 176.094 0.011 0.000 1.050 12 V CA -0.746 61.525 62.300 -0.049 0.000 0.981 12 V CB 0.976 32.755 31.823 -0.073 0.000 0.990 12 V HN 0.744 nan 8.190 nan 0.000 0.474 13 I N 6.209 126.814 120.570 0.057 0.000 2.294 13 I HA 0.252 4.422 4.170 -0.000 0.000 0.295 13 I C 0.111 176.277 176.117 0.081 0.000 1.098 13 I CA 0.197 61.553 61.300 0.092 0.000 1.277 13 I CB 0.165 38.261 38.000 0.160 0.000 1.434 13 I HN 0.450 nan 8.210 nan 0.000 0.498 14 L N 5.331 126.588 121.223 0.057 0.000 2.544 14 L HA 0.330 4.670 4.340 -0.000 0.000 0.256 14 L C 1.549 178.449 176.870 0.049 0.000 1.097 14 L CA -0.640 54.229 54.840 0.049 0.000 0.812 14 L CB 0.657 42.735 42.059 0.031 0.000 1.440 14 L HN 0.506 nan 8.230 nan 0.000 0.496 15 E N 0.481 120.705 120.200 0.040 0.000 2.072 15 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 15 E C 1.358 177.976 176.600 0.029 0.000 0.985 15 E CA 1.399 57.819 56.400 0.033 0.000 0.801 15 E CB -0.001 29.715 29.700 0.025 0.000 0.750 15 E HN 0.632 nan 8.360 nan 0.000 0.452 16 N N 0.973 119.689 118.700 0.026 0.000 2.402 16 N HA -0.078 4.662 4.740 -0.000 0.000 0.174 16 N C 0.690 176.215 175.510 0.026 0.000 1.027 16 N CA 0.691 53.755 53.050 0.023 0.000 0.891 16 N CB 0.265 38.764 38.487 0.019 0.000 1.016 16 N HN 0.305 nan 8.380 nan 0.000 0.439 17 E N -0.902 119.315 120.200 0.028 0.000 2.449 17 E HA 0.679 5.029 4.350 -0.000 0.000 0.278 17 E C -1.896 174.723 176.600 0.032 0.000 1.059 17 E CA -1.246 55.171 56.400 0.028 0.000 0.854 17 E CB 1.196 30.908 29.700 0.020 0.000 1.465 17 E HN 0.055 nan 8.360 nan 0.000 0.462 18 A N 0.733 123.570 122.820 0.029 0.000 2.330 18 A HA 0.886 5.206 4.320 -0.000 0.000 0.327 18 A C -0.692 176.898 177.584 0.010 0.000 1.155 18 A CA -0.580 51.473 52.037 0.027 0.000 0.803 18 A CB 0.695 19.718 19.000 0.038 0.000 1.208 18 A HN 0.689 nan 8.150 nan 0.000 0.477 19 R N -0.049 120.449 120.500 -0.003 0.000 2.728 19 R HA 0.579 4.919 4.340 -0.000 0.000 0.274 19 R C -1.825 174.456 176.300 -0.032 0.000 1.030 19 R CA -0.934 55.157 56.100 -0.014 0.000 0.876 19 R CB 0.921 31.215 30.300 -0.010 0.000 1.259 19 R HN 0.281 nan 8.270 nan 0.000 0.468 20 V N 2.032 121.923 119.914 -0.037 0.000 2.405 20 V HA 0.495 4.615 4.120 -0.000 0.000 0.264 20 V C 0.041 176.104 176.094 -0.052 0.000 1.048 20 V CA -0.131 62.136 62.300 -0.054 0.000 0.966 20 V CB 0.468 32.260 31.823 -0.051 0.000 1.015 20 V HN 0.623 nan 8.190 nan 0.000 0.477 21 V N 1.503 121.377 119.914 -0.067 0.000 3.188 21 V HA 0.714 4.834 4.120 -0.000 0.000 0.305 21 V C -1.129 174.911 176.094 -0.090 0.000 1.232 21 V CA -1.065 61.197 62.300 -0.063 0.000 1.043 21 V CB 2.490 34.283 31.823 -0.050 0.000 1.068 21 V HN 0.538 nan 8.190 nan 0.000 0.439 22 D N 1.373 121.723 120.400 -0.084 0.000 2.294 22 D HA 0.712 5.352 4.640 -0.000 0.000 0.250 22 D C -0.544 175.678 176.300 -0.129 0.000 1.058 22 D CA 0.021 53.958 54.000 -0.106 0.000 0.950 22 D CB 2.215 42.968 40.800 -0.078 0.000 1.158 22 D HN 0.649 nan 8.370 nan 0.000 0.453 23 I N 0.867 121.337 120.570 -0.167 0.000 2.418 23 I HA 0.431 4.601 4.170 -0.000 0.000 0.287 23 I C -0.214 175.780 176.117 -0.206 0.000 1.008 23 I CA -0.907 60.282 61.300 -0.185 0.000 1.104 23 I CB 1.850 39.692 38.000 -0.262 0.000 1.264 23 I HN 0.247 nan 8.210 nan 0.000 0.438 24 A N 6.508 129.143 122.820 -0.309 0.000 2.290 24 A HA 0.812 5.132 4.320 -0.000 0.000 0.310 24 A C -0.508 176.871 177.584 -0.342 0.000 1.202 24 A CA -0.431 51.274 52.037 -0.554 0.000 0.837 24 A CB 0.954 19.108 19.000 -1.409 0.000 1.139 24 A HN 0.471 nan 8.150 nan 0.000 0.509 25 V N 2.061 121.871 119.914 -0.173 0.000 2.680 25 V HA 0.721 4.841 4.120 -0.000 0.000 0.309 25 V C -0.329 175.812 176.094 0.078 0.000 1.052 25 V CA -0.663 61.640 62.300 0.005 0.000 0.908 25 V CB 1.951 33.836 31.823 0.104 0.000 1.001 25 V HN 0.960 nan 8.190 nan 0.000 0.431 26 K N 2.169 122.628 120.400 0.100 0.000 2.565 26 K HA 0.604 4.924 4.320 -0.000 0.000 0.251 26 K C 0.159 176.809 176.600 0.083 0.000 0.956 26 K CA 0.351 56.721 56.287 0.138 0.000 0.809 26 K CB 1.430 34.065 32.500 0.223 0.000 1.267 26 K HN 1.165 nan 8.250 nan 0.000 0.438 27 G N 2.565 111.404 108.800 0.065 0.000 2.305 27 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.287 27 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.287 27 G C 0.889 175.802 174.900 0.022 0.000 1.036 27 G CA 0.999 46.122 45.100 0.039 0.000 0.887 27 G HN 1.831 nan 8.290 nan 0.000 0.505 28 G N -2.019 106.794 108.800 0.021 0.000 2.155 28 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.257 28 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.257 28 G C 0.248 175.137 174.900 -0.018 0.000 0.983 28 G CA 1.408 46.505 45.100 -0.005 0.000 0.676 28 G HN 1.135 nan 8.290 nan 0.000 0.528 29 K N -0.627 119.778 120.400 0.008 0.000 2.385 29 K HA 0.736 5.056 4.320 -0.000 0.000 0.248 29 K C 0.337 176.955 176.600 0.030 0.000 0.955 29 K CA -0.926 55.363 56.287 0.004 0.000 0.816 29 K CB 1.239 33.747 32.500 0.014 0.000 1.250 29 K HN 0.125 nan 8.250 nan 0.000 0.434 30 I N 2.882 123.472 120.570 0.034 0.000 2.421 30 I HA 0.051 4.221 4.170 -0.000 0.000 0.291 30 I C 0.903 177.029 176.117 0.016 0.000 1.089 30 I CA 0.094 61.431 61.300 0.060 0.000 1.354 30 I CB 1.194 39.257 38.000 0.104 0.000 1.413 30 I HN 0.761 nan 8.210 nan 0.000 0.513 31 A N 5.589 128.386 122.820 -0.038 0.000 1.984 31 A HA 0.604 4.924 4.320 -0.000 0.000 0.214 31 A C 0.983 178.532 177.584 -0.057 0.000 1.173 31 A CA 1.001 53.029 52.037 -0.016 0.000 0.673 31 A CB 0.139 19.159 19.000 0.033 0.000 0.830 31 A HN 0.774 nan 8.150 nan 0.000 0.453 32 A N -1.375 121.335 122.820 -0.183 0.000 2.597 32 A HA 0.669 4.989 4.320 -0.000 0.000 0.292 32 A C -1.440 176.063 177.584 -0.134 0.000 1.057 32 A CA -0.417 51.541 52.037 -0.131 0.000 0.674 32 A CB 0.574 19.500 19.000 -0.124 0.000 1.278 32 A HN 0.280 nan 8.150 nan 0.000 0.416 33 I N 0.466 120.996 120.570 -0.066 0.000 2.619 33 I HA 0.721 4.891 4.170 -0.000 0.000 0.292 33 I C 0.541 176.636 176.117 -0.036 0.000 1.100 33 I CA 0.155 61.422 61.300 -0.056 0.000 1.043 33 I CB 2.372 40.358 38.000 -0.025 0.000 1.239 33 I HN 1.482 nan 8.210 nan 0.000 0.420 34 G N 4.712 113.487 108.800 -0.042 0.000 2.347 34 G HA2 0.105 4.066 3.960 -0.000 0.000 0.224 34 G HA3 0.105 4.066 3.960 -0.000 0.000 0.224 34 G C -1.907 172.978 174.900 -0.024 0.000 1.318 34 G CA -0.632 44.454 45.100 -0.023 0.000 1.016 34 G HN 0.390 nan 8.290 nan 0.000 0.469 35 Q N 0.586 120.381 119.800 -0.008 0.000 2.306 35 Q HA 0.454 4.794 4.340 -0.000 0.000 0.269 35 Q C -0.640 175.367 176.000 0.012 0.000 1.053 35 Q CA -0.396 55.404 55.803 -0.005 0.000 0.879 35 Q CB 0.964 29.700 28.738 -0.004 0.000 1.344 35 Q HN 0.702 nan 8.270 nan 0.000 0.464 36 D N 1.146 121.555 120.400 0.014 0.000 2.720 36 D HA -0.197 4.443 4.640 -0.000 0.000 0.229 36 D C 0.613 176.949 176.300 0.060 0.000 1.198 36 D CA 0.476 54.495 54.000 0.031 0.000 0.639 36 D CB -0.903 39.912 40.800 0.025 0.000 1.003 36 D HN 0.471 nan 8.370 nan 0.000 0.411 37 L N -0.824 120.443 121.223 0.074 0.000 2.551 37 L HA 0.064 4.404 4.340 -0.000 0.000 0.228 37 L C 1.897 178.924 176.870 0.262 0.000 1.153 37 L CA 0.900 55.834 54.840 0.156 0.000 0.851 37 L CB -0.559 41.543 42.059 0.072 0.000 0.959 37 L HN 0.569 nan 8.230 nan 0.000 0.451 38 G N 0.860 109.751 108.800 0.151 0.000 2.466 38 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 38 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 38 G C -1.027 173.944 174.900 0.120 0.000 1.237 38 G CA -0.091 45.079 45.100 0.116 0.000 0.954 38 G HN 0.316 nan 8.290 nan 0.000 0.580 39 D N 0.729 121.178 120.400 0.082 0.000 2.299 39 D HA 0.790 5.430 4.640 -0.000 0.000 0.243 39 D C 0.079 176.448 176.300 0.116 0.000 0.982 39 D CA 0.199 54.246 54.000 0.078 0.000 0.924 39 D CB 1.814 42.630 40.800 0.027 0.000 1.238 39 D HN 1.769 nan 8.370 nan 0.000 0.484 40 A N 0.972 123.861 122.820 0.116 0.000 2.566 40 A HA 0.433 4.753 4.320 -0.000 0.000 0.292 40 A C 0.491 178.123 177.584 0.079 0.000 1.112 40 A CA -0.724 51.397 52.037 0.139 0.000 0.707 40 A CB 1.666 20.782 19.000 0.193 0.000 1.302 40 A HN 0.398 nan 8.150 nan 0.000 0.409 41 K N 0.341 120.785 120.400 0.073 0.000 2.063 41 K HA -0.054 4.266 4.320 -0.000 0.000 0.208 41 K C 0.732 177.358 176.600 0.042 0.000 1.048 41 K CA 1.969 58.284 56.287 0.047 0.000 0.928 41 K CB 0.105 32.632 32.500 0.044 0.000 0.713 41 K HN 0.682 nan 8.250 nan 0.000 0.442 42 E N -0.529 119.702 120.200 0.052 0.000 2.369 42 E HA 0.446 4.796 4.350 -0.000 0.000 0.270 42 E C -1.285 175.342 176.600 0.045 0.000 0.909 42 E CA -0.740 55.685 56.400 0.041 0.000 0.775 42 E CB 1.945 31.666 29.700 0.035 0.000 1.270 42 E HN -0.196 nan 8.360 nan 0.000 0.445 46 A N 2.142 124.849 122.820 -0.189 0.000 2.460 46 A HA 0.344 4.664 4.320 -0.000 0.000 0.258 46 A C 0.591 178.023 177.584 -0.255 0.000 1.300 46 A CA -0.170 51.653 52.037 -0.356 0.000 0.913 46 A CB 0.040 18.634 19.000 -0.676 0.000 1.031 46 A HN 0.345 nan 8.150 nan 0.000 0.512 47 S N 0.020 115.627 115.700 -0.156 0.000 2.642 47 S HA 0.314 4.784 4.470 -0.000 0.000 0.308 47 S C 1.541 176.074 174.600 -0.112 0.000 1.255 47 S CA 1.088 59.219 58.200 -0.115 0.000 1.057 47 S CB 0.213 63.367 63.200 -0.077 0.000 0.785 47 S HN 1.678 nan 8.310 nan 0.000 0.500 48 G N 1.871 110.611 108.800 -0.099 0.000 2.189 48 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.267 48 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.267 48 G C -0.046 174.792 174.900 -0.103 0.000 0.975 48 G CA 0.398 45.449 45.100 -0.082 0.000 0.644 48 G HN 0.576 nan 8.290 nan 0.000 0.537 49 L N -0.334 120.794 121.223 -0.158 0.000 2.322 49 L HA 0.753 5.093 4.340 -0.000 0.000 0.269 49 L C 0.355 177.104 176.870 -0.201 0.000 1.012 49 L CA -1.445 53.280 54.840 -0.193 0.000 0.815 49 L CB 2.081 43.972 42.059 -0.279 0.000 1.295 49 L HN -0.105 nan 8.230 nan 0.000 0.438 50 V N 2.079 121.886 119.914 -0.179 0.000 2.394 50 V HA 0.277 4.397 4.120 -0.000 0.000 0.282 50 V C -0.089 175.931 176.094 -0.123 0.000 1.031 50 V CA -0.549 61.679 62.300 -0.121 0.000 0.881 50 V CB 1.855 33.639 31.823 -0.065 0.000 0.982 50 V HN 0.385 nan 8.190 nan 0.000 0.451 51 V N 4.756 124.602 119.914 -0.114 0.000 2.311 51 V HA 0.434 4.554 4.120 -0.000 0.000 0.275 51 V C 0.298 176.452 176.094 0.098 0.000 1.022 51 V CA -0.027 62.241 62.300 -0.053 0.000 0.830 51 V CB 1.370 33.051 31.823 -0.236 0.000 1.012 51 V HN 0.886 nan 8.190 nan 0.000 0.452 52 S N 7.274 123.102 115.700 0.213 0.000 2.621 52 S HA 0.696 5.166 4.470 -0.000 0.000 0.302 52 S C -2.687 172.094 174.600 0.301 0.000 1.093 52 S CA -1.778 56.581 58.200 0.264 0.000 1.017 52 S CB 2.170 65.576 63.200 0.342 0.000 1.077 52 S HN 0.539 nan 8.310 nan 0.000 0.517 53 P HA 0.217 nan 4.420 nan 0.000 0.271 53 P C 0.480 177.862 177.300 0.137 0.000 1.218 53 P CA -0.065 63.157 63.100 0.202 0.000 0.780 53 P CB 0.021 31.790 31.700 0.116 0.000 0.901 57 D N 3.934 124.332 120.400 -0.003 0.000 2.365 57 D HA 0.518 5.158 4.640 -0.000 0.000 0.237 57 D C 0.908 177.205 176.300 -0.005 0.000 1.190 57 D CA 0.358 54.367 54.000 0.016 0.000 0.867 57 D CB 1.910 42.729 40.800 0.031 0.000 1.050 57 D HN 0.689 nan 8.370 nan 0.000 0.491 58 A N 3.975 126.797 122.820 0.003 0.000 2.291 58 A HA 0.036 4.356 4.320 -0.000 0.000 0.220 58 A C 0.509 178.054 177.584 -0.065 0.000 1.262 58 A CA 0.115 52.084 52.037 -0.113 0.000 0.867 58 A CB -0.525 18.440 19.000 -0.058 0.000 0.888 58 A HN 0.763 nan 8.150 nan 0.000 0.487 59 H N -0.758 118.263 119.070 -0.081 0.000 2.734 59 H HA 0.304 4.860 4.556 -0.000 0.000 0.247 59 H C -0.899 174.387 175.328 -0.070 0.000 1.415 59 H CA 0.232 56.235 56.048 -0.076 0.000 1.514 59 H CB 0.361 30.142 29.762 0.032 0.000 1.841 59 H HN 0.184 nan 8.280 nan 0.000 0.609 60 T N 2.087 116.673 114.554 0.052 0.000 2.876 60 T HA 0.305 4.655 4.350 -0.000 0.000 0.289 60 T C -1.159 173.470 174.700 -0.117 0.000 1.014 60 T CA -0.667 61.462 62.100 0.049 0.000 0.986 60 T CB 1.300 70.225 68.868 0.095 0.000 1.021 60 T HN 0.547 nan 8.240 nan 0.000 0.458 61 H N 4.800 123.992 119.070 0.203 0.000 2.476 61 H HA 0.452 5.008 4.556 -0.000 0.000 0.328 61 H C 0.068 175.441 175.328 0.074 0.000 1.073 61 H CA -0.607 55.517 56.048 0.128 0.000 1.229 61 H CB 1.106 30.948 29.762 0.134 0.000 1.432 61 H HN 0.471 nan 8.280 nan 0.000 0.477 73 Y N 0.162 120.489 120.300 0.045 0.000 2.145 73 Y HA -0.035 4.515 4.550 -0.000 0.000 0.286 73 Y C 2.829 178.724 175.900 -0.009 0.000 1.145 73 Y CA 2.189 60.304 58.100 0.025 0.000 1.148 73 Y CB -0.041 38.435 38.460 0.026 0.000 0.981 73 Y HN 0.717 nan 8.280 nan 0.000 0.507 74 E N -0.663 119.623 120.200 0.144 0.000 2.038 74 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 74 E C 2.065 178.652 176.600 -0.021 0.000 1.000 74 E CA 2.011 58.430 56.400 0.032 0.000 0.803 74 E CB -0.172 29.534 29.700 0.009 0.000 0.750 74 E HN 0.349 nan 8.360 nan 0.000 0.448 75 T N -0.865 113.691 114.554 0.003 0.000 2.770 75 T HA -0.018 4.332 4.350 -0.000 0.000 0.258 75 T C 1.603 176.337 174.700 0.057 0.000 1.039 75 T CA 1.152 63.254 62.100 0.003 0.000 1.143 75 T CB -0.511 68.375 68.868 0.029 0.000 0.866 75 T HN 0.412 nan 8.240 nan 0.000 0.428 76 G N 0.583 109.440 108.800 0.095 0.000 2.440 76 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 76 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 76 G C 1.695 176.642 174.900 0.078 0.000 1.154 76 G CA 1.597 46.772 45.100 0.125 0.000 0.767 76 G HN 0.467 nan 8.290 nan 0.000 0.552 77 T N 0.108 114.702 114.554 0.067 0.000 2.867 77 T HA -0.019 4.331 4.350 -0.000 0.000 0.268 77 T C 2.488 177.207 174.700 0.031 0.000 1.057 77 T CA 0.976 63.106 62.100 0.051 0.000 1.136 77 T CB -0.044 68.859 68.868 0.058 0.000 0.874 77 T HN 0.236 nan 8.240 nan 0.000 0.466 78 R N 0.814 121.295 120.500 -0.032 0.000 2.062 78 R HA 0.112 4.452 4.340 -0.000 0.000 0.229 78 R C 2.800 179.166 176.300 0.110 0.000 1.128 78 R CA 1.203 57.257 56.100 -0.076 0.000 0.960 78 R CB -0.418 29.567 30.300 -0.524 0.000 0.855 78 R HN 0.336 nan 8.270 nan 0.000 0.432 79 A N 0.981 123.821 122.820 0.033 0.000 1.908 79 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 79 A C 2.319 179.894 177.584 -0.014 0.000 1.181 79 A CA 1.786 53.820 52.037 -0.005 0.000 0.627 79 A CB -0.770 18.271 19.000 0.068 0.000 0.818 79 A HN 0.426 nan 8.150 nan 0.000 0.445 80 A N -0.053 122.774 122.820 0.012 0.000 1.865 80 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 80 A C 2.553 180.125 177.584 -0.020 0.000 1.191 80 A CA 2.405 54.440 52.037 -0.004 0.000 0.623 80 A CB -1.174 17.833 19.000 0.012 0.000 0.826 80 A HN 1.129 nan 8.150 nan 0.000 0.444 81 A N -0.403 122.429 122.820 0.019 0.000 1.902 81 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 81 A C 2.146 179.605 177.584 -0.208 0.000 1.181 81 A CA 2.088 54.129 52.037 0.007 0.000 0.623 81 A CB -0.466 18.633 19.000 0.166 0.000 0.818 81 A HN 0.568 nan 8.150 nan 0.000 0.443 82 K N -0.617 119.563 120.400 -0.367 0.000 2.211 82 K HA -0.064 4.256 4.320 -0.000 0.000 0.203 82 K C 1.577 177.839 176.600 -0.562 0.000 1.050 82 K CA 1.115 56.793 56.287 -1.015 0.000 0.945 82 K CB -0.363 31.700 32.500 -0.727 0.000 0.732 82 K HN 0.398 nan 8.250 nan 0.000 0.451 83 G N -0.597 108.052 108.800 -0.253 0.000 3.088 83 G HA2 0.133 4.093 3.960 -0.000 0.000 0.212 83 G HA3 0.133 4.093 3.960 -0.000 0.000 0.212 83 G C 0.715 175.581 174.900 -0.056 0.000 1.173 83 G CA 0.237 45.267 45.100 -0.117 0.000 0.779 83 G HN 0.464 nan 8.290 nan 0.000 0.540 84 G N -0.143 108.614 108.800 -0.071 0.000 2.136 84 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.242 84 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.242 84 G C 0.214 175.123 174.900 0.015 0.000 0.989 84 G CA 0.122 45.223 45.100 0.003 0.000 0.682 84 G HN 0.477 nan 8.290 nan 0.000 0.522 85 I N 1.521 122.089 120.570 -0.005 0.000 2.336 85 I HA 0.355 4.525 4.170 -0.000 0.000 0.292 85 I C 1.613 177.725 176.117 -0.008 0.000 0.991 85 I CA 0.109 61.408 61.300 -0.001 0.000 1.227 85 I CB 1.608 39.608 38.000 -0.001 0.000 1.366 85 I HN 0.212 nan 8.210 nan 0.000 0.466 86 T N -0.299 114.245 114.554 -0.017 0.000 2.990 86 T HA 0.191 4.541 4.350 -0.000 0.000 0.249 86 T C 0.753 175.427 174.700 -0.043 0.000 1.039 86 T CA 0.168 62.247 62.100 -0.035 0.000 1.036 86 T CB 0.351 69.184 68.868 -0.058 0.000 0.994 86 T HN 0.525 nan 8.240 nan 0.000 0.489 93 L N 1.909 123.234 121.223 0.169 0.000 2.475 93 L HA 0.344 4.684 4.340 -0.000 0.000 0.250 93 L C 0.789 177.752 176.870 0.155 0.000 1.224 93 L CA 0.572 55.512 54.840 0.166 0.000 0.821 93 L CB -0.516 41.674 42.059 0.219 0.000 1.141 93 L HN 0.162 nan 8.230 nan 0.000 0.494 94 N N 0.854 119.604 118.700 0.084 0.000 2.696 94 N HA -0.196 4.544 4.740 -0.000 0.000 0.256 94 N C -0.626 174.928 175.510 0.074 0.000 1.031 94 N CA 0.681 53.768 53.050 0.062 0.000 0.730 94 N CB -0.598 37.922 38.487 0.055 0.000 0.894 94 N HN 0.625 nan 8.380 nan 0.000 0.544 95 Q N -0.809 119.025 119.800 0.057 0.000 2.553 95 Q HA 0.468 4.808 4.340 -0.000 0.000 0.293 95 Q C 1.253 177.268 176.000 0.024 0.000 1.038 95 Q CA -0.957 54.870 55.803 0.040 0.000 0.777 95 Q CB 1.430 30.197 28.738 0.049 0.000 1.487 95 Q HN 0.043 nan 8.270 nan 0.000 0.426 96 L N 0.971 122.203 121.223 0.015 0.000 1.884 96 L HA -0.027 4.313 4.340 -0.000 0.000 0.236 96 L C -1.280 175.599 176.870 0.016 0.000 1.088 96 L CA 0.545 55.391 54.840 0.009 0.000 0.841 96 L CB -1.337 40.728 42.059 0.010 0.000 0.900 96 L HN 0.489 nan 8.230 nan 0.000 0.427 97 P HA 0.184 nan 4.420 nan 0.000 0.282 97 P C -1.212 176.106 177.300 0.030 0.000 1.249 97 P CA -0.228 62.883 63.100 0.019 0.000 0.806 97 P CB 1.170 32.874 31.700 0.006 0.000 0.984 98 A N 2.323 125.176 122.820 0.056 0.000 2.363 98 A HA 0.319 4.639 4.320 -0.000 0.000 0.270 98 A C 0.570 178.175 177.584 0.035 0.000 1.121 98 A CA -0.190 51.886 52.037 0.066 0.000 0.800 98 A CB -0.497 18.573 19.000 0.117 0.000 1.052 98 A HN 0.497 nan 8.150 nan 0.000 0.493 99 T N 2.759 117.317 114.554 0.005 0.000 3.462 99 T HA 0.274 4.624 4.350 -0.000 0.000 0.257 99 T C 1.130 175.807 174.700 -0.037 0.000 1.015 99 T CA 0.715 62.786 62.100 -0.048 0.000 1.135 99 T CB -0.846 67.975 68.868 -0.078 0.000 1.061 99 T HN 1.133 nan 8.240 nan 0.000 0.772 100 V N -0.796 119.111 119.914 -0.011 0.000 3.432 100 V HA 0.391 4.511 4.120 -0.000 0.000 0.298 100 V C -0.066 176.034 176.094 0.011 0.000 1.464 100 V CA -0.354 61.951 62.300 0.008 0.000 1.046 100 V CB -0.084 31.750 31.823 0.018 0.000 0.887 100 V HN 0.670 nan 8.190 nan 0.000 0.441 101 D N -1.265 119.120 120.400 -0.025 0.000 2.792 101 D HA 0.249 4.889 4.640 -0.000 0.000 0.335 101 D C 0.698 176.948 176.300 -0.085 0.000 1.353 101 D CA -0.265 53.709 54.000 -0.043 0.000 0.839 101 D CB 1.279 42.066 40.800 -0.021 0.000 1.396 101 D HN -0.144 nan 8.370 nan 0.000 0.479 102 R N 0.471 120.920 120.500 -0.085 0.000 2.097 102 R HA -0.049 4.291 4.340 -0.000 0.000 0.236 102 R C 2.036 178.269 176.300 -0.111 0.000 1.135 102 R CA 3.010 59.054 56.100 -0.092 0.000 0.934 102 R CB -1.160 29.104 30.300 -0.060 0.000 0.846 102 R HN 0.530 nan 8.270 nan 0.000 0.431 103 A N -0.290 122.484 122.820 -0.076 0.000 1.892 103 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 103 A C 2.393 179.914 177.584 -0.105 0.000 1.188 103 A CA 2.266 54.259 52.037 -0.072 0.000 0.631 103 A CB -1.139 17.838 19.000 -0.038 0.000 0.822 103 A HN 0.502 nan 8.150 nan 0.000 0.447 104 S N -0.945 114.696 115.700 -0.098 0.000 2.353 104 S HA -0.131 4.339 4.470 -0.000 0.000 0.222 104 S C 1.901 176.377 174.600 -0.207 0.000 1.035 104 S CA 1.441 59.577 58.200 -0.108 0.000 1.025 104 S CB -0.393 62.769 63.200 -0.065 0.000 0.902 104 S HN 0.559 nan 8.310 nan 0.000 0.440 105 I N 0.833 121.219 120.570 -0.307 0.000 2.439 105 I HA -0.126 4.044 4.170 -0.000 0.000 0.251 105 I C 2.284 177.853 176.117 -0.912 0.000 1.139 105 I CA 1.221 62.170 61.300 -0.585 0.000 1.438 105 I CB -0.078 37.570 38.000 -0.586 0.000 1.085 105 I HN 0.211 nan 8.210 nan 0.000 0.427 106 E N 0.722 120.584 120.200 -0.563 0.000 2.058 106 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 106 E C 2.086 178.529 176.600 -0.262 0.000 0.997 106 E CA 1.239 57.413 56.400 -0.378 0.000 0.801 106 E CB -0.357 29.253 29.700 -0.149 0.000 0.746 106 E HN 0.373 nan 8.360 nan 0.000 0.450 107 L N 0.704 121.805 121.223 -0.202 0.000 2.083 107 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 107 L C 2.032 178.841 176.870 -0.102 0.000 1.083 107 L CA 1.863 56.641 54.840 -0.104 0.000 0.752 107 L CB -0.683 41.333 42.059 -0.072 0.000 0.899 107 L HN 0.083 nan 8.230 nan 0.000 0.433 108 K N -0.183 120.087 120.400 -0.217 0.000 2.009 108 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 108 K C 2.007 178.576 176.600 -0.053 0.000 1.049 108 K CA 1.979 58.181 56.287 -0.142 0.000 0.929 108 K CB -0.368 31.950 32.500 -0.303 0.000 0.714 108 K HN 0.180 nan 8.250 nan 0.000 0.440 109 F N 1.926 121.704 119.950 -0.288 0.000 2.091 109 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 109 F C 2.099 177.863 175.800 -0.059 0.000 1.103 109 F CA 1.393 59.171 58.000 -0.369 0.000 1.228 109 F CB -0.984 37.763 39.000 -0.422 0.000 0.984 109 F HN 0.196 nan 8.300 nan 0.000 0.477 110 D N -0.171 120.316 120.400 0.146 0.000 2.178 110 D HA -0.068 4.572 4.640 -0.000 0.000 0.202 110 D C 2.334 178.689 176.300 0.091 0.000 0.974 110 D CA 1.306 55.367 54.000 0.101 0.000 0.841 110 D CB -0.356 40.480 40.800 0.061 0.000 0.953 110 D HN 0.255 nan 8.370 nan 0.000 0.478 111 A N 0.881 123.759 122.820 0.096 0.000 2.014 111 A HA 0.073 4.393 4.320 -0.000 0.000 0.218 111 A C 2.178 179.840 177.584 0.130 0.000 1.163 111 A CA 1.585 53.688 52.037 0.110 0.000 0.652 111 A CB -0.194 18.883 19.000 0.128 0.000 0.808 111 A HN 0.217 nan 8.150 nan 0.000 0.449 112 A N -1.003 121.888 122.820 0.118 0.000 2.178 112 A HA 0.266 4.586 4.320 -0.000 0.000 0.211 112 A C 0.923 178.482 177.584 -0.041 0.000 1.157 112 A CA 0.084 52.087 52.037 -0.056 0.000 0.780 112 A CB -0.158 18.583 19.000 -0.432 0.000 0.828 112 A HN 0.249 nan 8.150 nan 0.000 0.476 113 K N 0.212 120.644 120.400 0.054 0.000 2.477 113 K HA 0.209 4.529 4.320 -0.000 0.000 0.275 113 K C 1.298 177.891 176.600 -0.012 0.000 1.054 113 K CA 1.240 57.545 56.287 0.030 0.000 1.135 113 K CB -0.483 32.044 32.500 0.045 0.000 0.854 113 K HN 0.829 nan 8.250 nan 0.000 0.484 114 G N 2.839 111.614 108.800 -0.041 0.000 2.184 114 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.264 114 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.264 114 G C 0.861 175.731 174.900 -0.051 0.000 0.975 114 G CA 0.776 45.851 45.100 -0.042 0.000 0.642 114 G HN 0.557 nan 8.290 nan 0.000 0.536 115 K N -0.317 120.040 120.400 -0.072 0.000 2.352 115 K HA 0.412 4.732 4.320 -0.000 0.000 0.194 115 K C 1.203 177.757 176.600 -0.077 0.000 1.038 115 K CA 0.080 56.339 56.287 -0.047 0.000 1.023 115 K CB 0.148 32.658 32.500 0.018 0.000 0.840 115 K HN 0.448 nan 8.250 nan 0.000 0.519 116 L N 1.744 122.861 121.223 -0.177 0.000 2.407 116 L HA 0.074 4.414 4.340 -0.000 0.000 0.282 116 L C 0.589 177.390 176.870 -0.115 0.000 1.110 116 L CA 0.026 54.749 54.840 -0.195 0.000 0.863 116 L CB 0.845 42.666 42.059 -0.396 0.000 1.207 116 L HN 0.125 nan 8.230 nan 0.000 0.454 117 T N 3.514 118.035 114.554 -0.056 0.000 3.043 117 T HA 0.161 4.511 4.350 -0.000 0.000 0.263 117 T C 0.642 175.334 174.700 -0.014 0.000 1.094 117 T CA 0.608 62.699 62.100 -0.015 0.000 1.127 117 T CB -0.037 68.845 68.868 0.024 0.000 0.905 117 T HN 0.572 nan 8.240 nan 0.000 0.490 118 I N -2.182 118.364 120.570 -0.040 0.000 3.108 118 I HA 0.665 4.835 4.170 -0.000 0.000 0.312 118 I C -1.436 174.620 176.117 -0.102 0.000 1.095 118 I CA -1.425 59.846 61.300 -0.049 0.000 1.000 118 I CB 1.626 39.614 38.000 -0.021 0.000 1.229 118 I HN -0.345 nan 8.210 nan 0.000 0.454 119 D N 1.984 122.326 120.400 -0.097 0.000 2.339 119 D HA 0.623 5.263 4.640 -0.000 0.000 0.245 119 D C -0.537 175.701 176.300 -0.103 0.000 1.115 119 D CA 0.172 54.098 54.000 -0.124 0.000 0.917 119 D CB 1.727 42.470 40.800 -0.096 0.000 1.192 119 D HN 0.826 nan 8.370 nan 0.000 0.428 120 A N 0.874 123.624 122.820 -0.118 0.000 2.446 120 A HA 0.662 4.982 4.320 -0.000 0.000 0.282 120 A C -0.226 177.394 177.584 0.060 0.000 1.102 120 A CA -0.640 51.381 52.037 -0.027 0.000 0.737 120 A CB 1.033 20.027 19.000 -0.011 0.000 1.212 120 A HN 0.541 nan 8.150 nan 0.000 0.434 121 A N 2.023 124.855 122.820 0.020 0.000 2.280 121 A HA 0.742 5.062 4.320 -0.000 0.000 0.268 121 A C -0.039 177.564 177.584 0.033 0.000 1.111 121 A CA -0.270 51.774 52.037 0.011 0.000 0.814 121 A CB 0.421 19.390 19.000 -0.052 0.000 1.093 121 A HN 0.771 nan 8.150 nan 0.000 0.498 122 Q N -0.582 119.214 119.800 -0.006 0.000 2.397 122 Q HA 0.594 4.934 4.340 -0.000 0.000 0.275 122 Q C -1.570 174.335 176.000 -0.159 0.000 1.090 122 Q CA -0.390 55.398 55.803 -0.026 0.000 0.809 122 Q CB 2.108 30.880 28.738 0.056 0.000 1.362 122 Q HN 0.632 nan 8.270 nan 0.000 0.431 123 L N 0.324 121.430 121.223 -0.195 0.000 2.346 123 L HA 0.769 5.109 4.340 -0.000 0.000 0.274 123 L C 0.522 177.185 176.870 -0.345 0.000 1.007 123 L CA -0.893 53.769 54.840 -0.297 0.000 0.818 123 L CB 2.031 43.931 42.059 -0.265 0.000 1.284 123 L HN 0.687 nan 8.230 nan 0.000 0.424 124 G N 0.377 108.802 108.800 -0.626 0.000 2.461 124 G HA2 0.613 4.573 3.960 -0.000 0.000 0.329 124 G HA3 0.613 4.573 3.960 -0.000 0.000 0.329 124 G C -0.570 174.174 174.900 -0.259 0.000 1.170 124 G CA -0.555 44.189 45.100 -0.592 0.000 0.935 124 G HN 0.702 nan 8.290 nan 0.000 0.492 125 G N -0.947 107.845 108.800 -0.012 0.000 2.371 125 G HA2 0.513 4.473 3.960 -0.000 0.000 0.326 125 G HA3 0.513 4.473 3.960 -0.000 0.000 0.326 125 G C -1.007 174.023 174.900 0.217 0.000 1.127 125 G CA -0.466 44.701 45.100 0.112 0.000 0.885 125 G HN 0.707 nan 8.290 nan 0.000 0.477 126 L N 3.959 125.295 121.223 0.189 0.000 2.264 126 L HA 0.672 5.012 4.340 -0.000 0.000 0.287 126 L C 0.083 176.962 176.870 0.014 0.000 1.039 126 L CA -0.842 54.044 54.840 0.078 0.000 0.829 126 L CB 0.917 43.000 42.059 0.040 0.000 1.211 126 L HN 0.487 nan 8.230 nan 0.000 0.427 127 V N 1.847 121.689 119.914 -0.121 0.000 3.158 127 V HA 0.671 4.791 4.120 -0.000 0.000 0.315 127 V C 1.037 177.005 176.094 -0.211 0.000 1.148 127 V CA 0.077 62.251 62.300 -0.209 0.000 1.042 127 V CB 1.169 32.666 31.823 -0.544 0.000 1.101 127 V HN 0.786 nan 8.190 nan 0.000 0.448 128 S N 0.368 116.005 115.700 -0.105 0.000 2.399 128 S HA -0.189 4.281 4.470 -0.000 0.000 0.231 128 S C 1.292 175.922 174.600 0.051 0.000 1.022 128 S CA 1.769 59.984 58.200 0.025 0.000 0.983 128 S CB -1.002 62.283 63.200 0.141 0.000 0.803 128 S HN 1.345 nan 8.310 nan 0.000 0.480 129 Y N 2.229 122.561 120.300 0.054 0.000 2.645 129 Y HA 0.553 5.103 4.550 -0.000 0.000 0.307 129 Y C 0.607 176.528 175.900 0.036 0.000 1.151 129 Y CA -0.543 57.584 58.100 0.045 0.000 1.291 129 Y CB -0.806 37.678 38.460 0.040 0.000 1.135 129 Y HN 0.439 nan 8.280 nan 0.000 0.523 130 N N 0.680 119.339 118.700 -0.069 0.000 2.127 130 N HA -0.047 4.693 4.740 -0.000 0.000 0.229 130 N C 0.497 175.973 175.510 -0.057 0.000 1.374 130 N CA 0.316 53.343 53.050 -0.038 0.000 0.763 130 N CB -1.258 37.173 38.487 -0.094 0.000 1.269 130 N HN 0.502 nan 8.380 nan 0.000 0.516 131 I N -1.127 119.402 120.570 -0.069 0.000 3.010 131 I HA 0.074 4.244 4.170 -0.000 0.000 0.271 131 I C 0.940 177.017 176.117 -0.066 0.000 1.293 131 I CA 1.376 62.609 61.300 -0.111 0.000 1.452 131 I CB -0.052 37.861 38.000 -0.146 0.000 1.082 131 I HN -0.038 nan 8.210 nan 0.000 0.484 132 D N 0.288 120.687 120.400 -0.002 0.000 2.360 132 D HA 0.061 4.701 4.640 -0.000 0.000 0.210 132 D C 1.900 178.276 176.300 0.126 0.000 1.047 132 D CA 0.431 54.462 54.000 0.051 0.000 0.854 132 D CB 0.194 41.031 40.800 0.061 0.000 0.936 132 D HN 0.249 nan 8.370 nan 0.000 0.514 133 R N -0.638 119.888 120.500 0.043 0.000 2.334 133 R HA 0.330 4.670 4.340 -0.000 0.000 0.212 133 R C 1.938 178.155 176.300 -0.138 0.000 0.897 133 R CA -0.029 56.037 56.100 -0.056 0.000 1.056 133 R CB 0.061 30.335 30.300 -0.044 0.000 1.046 133 R HN 0.156 nan 8.270 nan 0.000 0.513 134 L N 1.476 122.662 121.223 -0.063 0.000 2.151 134 L HA -0.334 4.006 4.340 -0.000 0.000 0.215 134 L C 2.444 179.301 176.870 -0.022 0.000 1.084 134 L CA 1.811 56.584 54.840 -0.111 0.000 0.764 134 L CB -0.906 40.939 42.059 -0.355 0.000 0.891 134 L HN 0.492 nan 8.230 nan 0.000 0.435 135 H N -0.139 118.922 119.070 -0.014 0.000 2.423 135 H HA -0.123 4.433 4.556 -0.000 0.000 0.297 135 H C 1.647 177.017 175.328 0.070 0.000 1.075 135 H CA 1.325 57.385 56.048 0.020 0.000 1.342 135 H CB -0.414 29.346 29.762 -0.005 0.000 1.395 135 H HN 0.487 nan 8.280 nan 0.000 0.530 136 E N 1.058 120.894 120.200 -0.607 0.000 2.038 136 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 136 E C 2.627 179.190 176.600 -0.061 0.000 1.000 136 E CA 1.354 57.561 56.400 -0.322 0.000 0.803 136 E CB -0.010 29.495 29.700 -0.324 0.000 0.750 136 E HN 0.408 nan 8.360 nan 0.000 0.448 137 L N 0.750 121.983 121.223 0.016 0.000 2.141 137 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 137 L C 2.276 179.205 176.870 0.098 0.000 1.094 137 L CA 1.058 55.920 54.840 0.038 0.000 0.763 137 L CB -0.317 41.736 42.059 -0.010 0.000 0.908 137 L HN 0.161 nan 8.230 nan 0.000 0.437 138 D N 0.175 120.709 120.400 0.224 0.000 2.144 138 D HA -0.202 4.438 4.640 -0.000 0.000 0.199 138 D C 1.985 178.377 176.300 0.155 0.000 0.984 138 D CA 1.221 55.348 54.000 0.212 0.000 0.834 138 D CB 0.219 41.145 40.800 0.211 0.000 0.955 138 D HN 0.334 nan 8.370 nan 0.000 0.465 139 E N -0.408 119.875 120.200 0.139 0.000 2.072 139 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 139 E C 2.325 179.043 176.600 0.197 0.000 0.982 139 E CA 0.724 57.216 56.400 0.154 0.000 0.803 139 E CB 0.116 29.886 29.700 0.115 0.000 0.755 139 E HN 0.170 nan 8.360 nan 0.000 0.453 140 V N 0.113 120.107 119.914 0.134 0.000 2.490 140 V HA -0.122 3.998 4.120 -0.000 0.000 0.250 140 V C 1.600 177.784 176.094 0.151 0.000 1.061 140 V CA 1.650 64.040 62.300 0.150 0.000 1.064 140 V CB -0.438 31.431 31.823 0.078 0.000 0.670 140 V HN 0.608 nan 8.190 nan 0.000 0.461 141 G N -1.023 107.805 108.800 0.047 0.000 2.147 141 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.128 141 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.128 141 G C 0.001 174.828 174.900 -0.122 0.000 1.026 141 G CA -0.080 44.926 45.100 -0.157 0.000 0.693 141 G HN 0.271 nan 8.290 nan 0.000 0.499 142 V N -0.075 119.780 119.914 -0.098 0.000 2.999 142 V HA 0.212 4.332 4.120 -0.000 0.000 0.307 142 V C 1.757 177.775 176.094 -0.126 0.000 1.084 142 V CA 0.999 63.195 62.300 -0.174 0.000 1.155 142 V CB 1.754 33.345 31.823 -0.386 0.000 0.975 142 V HN 0.287 nan 8.190 nan 0.000 0.490 143 V N 3.096 122.934 119.914 -0.128 0.000 3.621 143 V HA 0.525 4.645 4.120 -0.000 0.000 0.285 143 V C 0.649 176.778 176.094 0.058 0.000 1.346 143 V CA 1.271 63.556 62.300 -0.024 0.000 1.104 143 V CB -0.044 31.763 31.823 -0.025 0.000 0.913 143 V HN 1.124 nan 8.190 nan 0.000 0.432 144 G N -1.155 107.614 108.800 -0.052 0.000 2.313 144 G HA2 0.401 4.361 3.960 -0.000 0.000 0.296 144 G HA3 0.401 4.361 3.960 -0.000 0.000 0.296 144 G C -1.712 173.130 174.900 -0.096 0.000 1.356 144 G CA -0.561 44.595 45.100 0.094 0.000 0.833 144 G HN -0.078 nan 8.290 nan 0.000 0.552 148 F N 2.127 122.138 119.950 0.102 0.000 2.467 148 F HA 0.752 5.279 4.527 -0.000 0.000 0.336 148 F C 0.754 176.582 175.800 0.048 0.000 1.123 148 F CA -0.016 58.029 58.000 0.076 0.000 0.964 148 F CB 1.574 40.584 39.000 0.016 0.000 1.136 148 F HN 0.949 nan 8.300 nan 0.000 0.447 163 D N 0.696 121.150 120.400 0.089 0.000 2.326 163 D HA 0.536 5.176 4.640 -0.000 0.000 0.251 163 D C -0.254 176.135 176.300 0.149 0.000 1.023 163 D CA -0.615 53.479 54.000 0.158 0.000 0.966 163 D CB 1.713 42.594 40.800 0.136 0.000 1.156 163 D HN 0.245 nan 8.370 nan 0.000 0.494 164 V N -1.544 118.474 119.914 0.173 0.000 2.667 164 V HA 0.489 4.609 4.120 -0.000 0.000 0.308 164 V C 0.198 176.396 176.094 0.174 0.000 1.048 164 V CA -1.043 61.355 62.300 0.164 0.000 0.928 164 V CB 1.534 33.462 31.823 0.175 0.000 1.004 164 V HN 0.660 nan 8.190 nan 0.000 0.444 165 N N 1.379 120.187 118.700 0.181 0.000 2.405 165 N HA 0.179 4.919 4.740 -0.000 0.000 0.269 165 N C -0.147 175.504 175.510 0.236 0.000 1.249 165 N CA -0.381 52.780 53.050 0.186 0.000 0.974 165 N CB 0.736 39.338 38.487 0.191 0.000 1.204 165 N HN 0.664 nan 8.380 nan 0.000 0.565 166 D N -0.376 120.163 120.400 0.231 0.000 2.149 166 D HA -0.186 4.454 4.640 -0.000 0.000 0.198 166 D C 1.404 177.924 176.300 0.367 0.000 0.990 166 D CA 1.082 55.249 54.000 0.278 0.000 0.839 166 D CB -0.312 40.616 40.800 0.213 0.000 0.948 166 D HN 0.628 nan 8.370 nan 0.000 0.460 167 W N 1.494 122.905 121.300 0.185 0.000 2.407 167 W HA -0.169 4.491 4.660 -0.000 0.000 0.305 167 W C 1.810 178.450 176.519 0.202 0.000 1.196 167 W CA 0.938 58.399 57.345 0.194 0.000 1.311 167 W CB -0.006 29.531 29.460 0.129 0.000 1.135 167 W HN 0.018 nan 8.180 nan 0.000 0.514 168 Q N -0.394 119.397 119.800 -0.014 0.000 2.124 168 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 168 Q C 2.141 178.054 176.000 -0.145 0.000 0.977 168 Q CA 2.016 57.719 55.803 -0.166 0.000 0.850 168 Q CB -0.753 28.012 28.738 0.045 0.000 0.901 168 Q HN 0.285 nan 8.270 nan 0.000 0.429 169 F N 0.628 120.535 119.950 -0.073 0.000 2.102 169 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 169 F C 1.906 177.648 175.800 -0.097 0.000 1.105 169 F CA 1.188 59.157 58.000 -0.052 0.000 1.239 169 F CB -0.329 38.689 39.000 0.031 0.000 0.991 169 F HN 0.032 nan 8.300 nan 0.000 0.474 170 F N 1.387 121.192 119.950 -0.243 0.000 2.102 170 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 170 F C 2.446 177.925 175.800 -0.535 0.000 1.105 170 F CA 2.231 60.022 58.000 -0.350 0.000 1.239 170 F CB -0.785 38.129 39.000 -0.142 0.000 0.991 170 F HN -0.030 nan 8.300 nan 0.000 0.474 171 K N 0.253 120.163 120.400 -0.816 0.000 2.032 171 K HA -0.062 4.258 4.320 -0.000 0.000 0.209 171 K C 2.323 178.525 176.600 -0.663 0.000 1.048 171 K CA 1.828 57.563 56.287 -0.919 0.000 0.927 171 K CB -1.184 30.640 32.500 -1.127 0.000 0.712 171 K HN 0.327 nan 8.250 nan 0.000 0.441 172 G N -0.394 108.067 108.800 -0.566 0.000 2.408 172 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 172 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 172 G C 1.602 176.179 174.900 -0.539 0.000 1.150 172 G CA 0.761 45.575 45.100 -0.475 0.000 0.776 172 G HN 0.438 nan 8.290 nan 0.000 0.542 173 A N 0.088 122.495 122.820 -0.688 0.000 1.969 173 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 173 A C 2.233 179.499 177.584 -0.531 0.000 1.169 173 A CA 1.888 53.532 52.037 -0.655 0.000 0.635 173 A CB -0.400 18.067 19.000 -0.890 0.000 0.810 173 A HN 0.433 nan 8.150 nan 0.000 0.445 174 Q N -0.588 118.830 119.800 -0.636 0.000 2.084 174 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 174 Q C 2.139 177.912 176.000 -0.379 0.000 0.978 174 Q CA 1.995 57.469 55.803 -0.548 0.000 0.844 174 Q CB -0.092 28.216 28.738 -0.717 0.000 0.898 174 Q HN 0.599 nan 8.270 nan 0.000 0.426 175 K N 0.470 120.644 120.400 -0.377 0.000 2.025 175 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 175 K C 1.865 178.301 176.600 -0.273 0.000 1.049 175 K CA 1.169 57.284 56.287 -0.286 0.000 0.933 175 K CB -0.323 32.009 32.500 -0.279 0.000 0.714 175 K HN 0.193 nan 8.250 nan 0.000 0.438 176 L N -0.051 120.968 121.223 -0.339 0.000 2.079 176 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 176 L C 2.502 179.253 176.870 -0.198 0.000 1.081 176 L CA 1.471 56.124 54.840 -0.313 0.000 0.752 176 L CB -0.957 40.885 42.059 -0.361 0.000 0.896 176 L HN 0.511 nan 8.230 nan 0.000 0.433 177 G N -0.325 108.350 108.800 -0.208 0.000 2.422 177 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 177 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 177 G C 1.418 176.247 174.900 -0.119 0.000 1.146 177 G CA 0.561 45.570 45.100 -0.151 0.000 0.769 177 G HN 0.447 nan 8.290 nan 0.000 0.547 178 E N -0.044 120.076 120.200 -0.134 0.000 2.152 178 E HA 0.053 4.403 4.350 -0.000 0.000 0.192 178 E C 2.291 178.847 176.600 -0.072 0.000 0.983 178 E CA 0.262 56.603 56.400 -0.099 0.000 0.818 178 E CB -0.119 29.516 29.700 -0.108 0.000 0.758 178 E HN 0.378 nan 8.360 nan 0.000 0.467 179 L N -0.053 121.122 121.223 -0.079 0.000 2.554 179 L HA 0.097 4.437 4.340 -0.000 0.000 0.226 179 L C 1.139 178.002 176.870 -0.012 0.000 1.137 179 L CA 0.310 55.127 54.840 -0.038 0.000 0.863 179 L CB -0.162 41.872 42.059 -0.043 0.000 0.985 179 L HN 0.259 nan 8.230 nan 0.000 0.451 180 G N 0.323 109.105 108.800 -0.030 0.000 2.225 180 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.264 180 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.264 180 G C 0.010 174.920 174.900 0.016 0.000 1.060 180 G CA -0.156 44.937 45.100 -0.011 0.000 0.833 180 G HN 0.318 nan 8.290 nan 0.000 0.498 181 Q N -0.065 119.743 119.800 0.014 0.000 2.337 181 Q HA 0.476 4.816 4.340 -0.000 0.000 0.266 181 Q C -2.336 173.705 176.000 0.068 0.000 1.023 181 Q CA -1.727 54.127 55.803 0.086 0.000 0.829 181 Q CB 2.969 31.802 28.738 0.160 0.000 1.306 181 Q HN 0.352 nan 8.270 nan 0.000 0.449 182 P HA 0.187 nan 4.420 nan 0.000 0.281 182 P C -0.650 176.739 177.300 0.149 0.000 1.249 182 P CA -0.420 62.740 63.100 0.099 0.000 0.810 182 P CB 1.412 33.168 31.700 0.095 0.000 1.008 183 V N 4.044 124.024 119.914 0.110 0.000 2.435 183 V HA 0.317 4.437 4.120 -0.000 0.000 0.290 183 V C -0.691 175.509 176.094 0.176 0.000 1.030 183 V CA -0.807 61.571 62.300 0.130 0.000 0.881 183 V CB 0.895 32.749 31.823 0.052 0.000 0.983 183 V HN 0.262 nan 8.190 nan 0.000 0.445 184 L N 7.240 128.561 121.223 0.164 0.000 2.282 184 L HA 0.653 4.993 4.340 -0.000 0.000 0.288 184 L C -0.301 176.583 176.870 0.024 0.000 1.033 184 L CA 0.021 54.943 54.840 0.137 0.000 0.807 184 L CB 1.806 43.926 42.059 0.101 0.000 1.209 184 L HN 0.453 nan 8.230 nan 0.000 0.423 185 V N 1.601 121.496 119.914 -0.032 0.000 2.656 185 V HA 0.289 4.409 4.120 -0.000 0.000 0.307 185 V C -0.616 175.352 176.094 -0.210 0.000 1.051 185 V CA -0.881 61.350 62.300 -0.114 0.000 0.893 185 V CB 1.720 33.502 31.823 -0.069 0.000 0.999 185 V HN 0.733 nan 8.190 nan 0.000 0.426 186 H N 3.559 122.416 119.070 -0.354 0.000 2.934 186 H HA 0.332 4.888 4.556 -0.000 0.000 0.273 186 H C -0.510 174.780 175.328 -0.064 0.000 1.121 186 H CA -0.254 55.665 56.048 -0.215 0.000 1.451 186 H CB 0.366 29.970 29.762 -0.263 0.000 1.469 186 H HN 0.742 nan 8.280 nan 0.000 0.476 187 C N 6.190 125.409 119.300 -0.134 0.000 2.146 187 C HA 0.357 4.817 4.460 -0.000 0.000 0.338 187 C C -0.143 174.831 174.990 -0.025 0.000 1.074 187 C CA -0.513 58.470 59.018 -0.058 0.000 1.527 187 C CB -1.514 26.161 27.740 -0.108 0.000 1.915 187 C HN 0.835 nan 8.230 nan 0.000 0.453 188 E N 1.300 121.553 120.200 0.088 0.000 2.343 188 E HA 0.163 4.513 4.350 -0.000 0.000 0.278 188 E C -0.891 175.734 176.600 0.043 0.000 0.910 188 E CA -0.567 55.862 56.400 0.049 0.000 0.757 188 E CB 1.312 31.086 29.700 0.122 0.000 1.218 188 E HN 0.501 nan 8.360 nan 0.000 0.435 189 N N 2.259 120.945 118.700 -0.023 0.000 2.466 189 N HA 0.047 4.787 4.740 -0.000 0.000 0.263 189 N C 0.578 176.083 175.510 -0.008 0.000 1.178 189 N CA 0.238 53.282 53.050 -0.010 0.000 0.983 189 N CB 0.861 39.335 38.487 -0.022 0.000 1.331 189 N HN 0.651 nan 8.380 nan 0.000 0.500 190 A N 4.179 127.016 122.820 0.028 0.000 1.903 190 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 190 A C 2.015 179.603 177.584 0.007 0.000 1.191 190 A CA 1.174 53.224 52.037 0.022 0.000 0.638 190 A CB -0.570 18.450 19.000 0.033 0.000 0.823 190 A HN 0.649 nan 8.150 nan 0.000 0.451 191 L N 0.036 121.268 121.223 0.016 0.000 1.971 191 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 191 L C 2.345 179.222 176.870 0.011 0.000 1.072 191 L CA 2.276 57.127 54.840 0.018 0.000 0.758 191 L CB -0.516 41.560 42.059 0.030 0.000 0.889 191 L HN 0.480 nan 8.230 nan 0.000 0.433 192 I N -1.468 119.107 120.570 0.008 0.000 2.286 192 I HA -0.373 3.797 4.170 -0.000 0.000 0.248 192 I C 2.535 178.630 176.117 -0.037 0.000 1.115 192 I CA 1.298 62.601 61.300 0.005 0.000 1.392 192 I CB -0.544 37.466 38.000 0.018 0.000 1.065 192 I HN 0.421 nan 8.210 nan 0.000 0.418 193 C N 0.748 120.007 119.300 -0.070 0.000 2.429 193 C HA -0.164 4.296 4.460 -0.000 0.000 0.277 193 C C 2.461 177.429 174.990 -0.037 0.000 1.262 193 C CA 0.817 59.783 59.018 -0.086 0.000 1.733 193 C CB -0.997 26.689 27.740 -0.090 0.000 2.010 193 C HN 0.530 nan 8.230 nan 0.000 0.483 194 D N 0.622 121.014 120.400 -0.013 0.000 2.117 194 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 194 D C 2.185 178.491 176.300 0.011 0.000 0.987 194 D CA 1.093 55.096 54.000 0.006 0.000 0.829 194 D CB -0.527 40.278 40.800 0.008 0.000 0.961 194 D HN 0.520 nan 8.370 nan 0.000 0.460 195 E N 0.497 120.704 120.200 0.011 0.000 2.077 195 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 195 E C 2.528 179.139 176.600 0.018 0.000 0.989 195 E CA 0.263 56.674 56.400 0.018 0.000 0.800 195 E CB -0.316 29.399 29.700 0.025 0.000 0.746 195 E HN 0.352 nan 8.360 nan 0.000 0.452 196 L N 0.259 121.488 121.223 0.010 0.000 2.141 196 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 196 L C 2.460 179.337 176.870 0.010 0.000 1.094 196 L CA 1.161 56.007 54.840 0.009 0.000 0.763 196 L CB -0.637 41.416 42.059 -0.010 0.000 0.908 196 L HN 0.182 nan 8.230 nan 0.000 0.437 197 G N -0.463 108.343 108.800 0.011 0.000 2.414 197 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.215 197 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.215 197 G C 1.425 176.349 174.900 0.041 0.000 1.188 197 G CA 0.649 45.772 45.100 0.038 0.000 0.783 197 G HN 0.262 nan 8.290 nan 0.000 0.537 198 E N 0.567 120.786 120.200 0.032 0.000 2.118 198 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 198 E C 2.249 178.864 176.600 0.026 0.000 0.992 198 E CA 1.451 57.867 56.400 0.028 0.000 0.804 198 E CB -0.295 29.419 29.700 0.023 0.000 0.741 198 E HN 0.635 nan 8.360 nan 0.000 0.458 199 E N -0.712 119.503 120.200 0.025 0.000 2.085 199 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 199 E C 1.880 178.494 176.600 0.024 0.000 0.994 199 E CA 1.090 57.504 56.400 0.023 0.000 0.801 199 E CB -0.188 29.526 29.700 0.024 0.000 0.743 199 E HN 0.330 nan 8.360 nan 0.000 0.453 200 A N 1.772 124.609 122.820 0.029 0.000 1.855 200 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 200 A C 1.767 179.369 177.584 0.030 0.000 1.191 200 A CA 1.834 53.890 52.037 0.032 0.000 0.613 200 A CB -0.455 18.571 19.000 0.044 0.000 0.829 200 A HN 0.250 nan 8.150 nan 0.000 0.442 201 K N -1.105 119.315 120.400 0.033 0.000 3.165 201 K HA 0.371 4.691 4.320 -0.000 0.000 0.270 201 K C 0.677 177.289 176.600 0.020 0.000 1.111 201 K CA 0.398 56.701 56.287 0.027 0.000 1.216 201 K CB 0.267 32.785 32.500 0.030 0.000 1.229 201 K HN 0.261 nan 8.250 nan 0.000 0.435 202 R N 0.337 120.848 120.500 0.019 0.000 2.551 202 R HA 0.178 4.518 4.340 -0.000 0.000 0.202 202 R C 0.721 177.029 176.300 0.013 0.000 0.861 202 R CA 0.430 56.539 56.100 0.015 0.000 1.018 202 R CB 0.587 30.897 30.300 0.016 0.000 1.435 202 R HN 0.345 nan 8.270 nan 0.000 0.659 203 E N -0.830 119.379 120.200 0.014 0.000 2.474 203 E HA 0.231 4.581 4.350 -0.000 0.000 0.195 203 E C 0.247 176.853 176.600 0.011 0.000 1.039 203 E CA 0.485 56.893 56.400 0.012 0.000 0.881 203 E CB 1.031 30.739 29.700 0.013 0.000 0.970 203 E HN 0.439 nan 8.360 nan 0.000 0.486 204 G N 2.131 110.938 108.800 0.012 0.000 2.141 204 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.242 204 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.242 204 G C 0.056 174.963 174.900 0.011 0.000 0.982 204 G CA -0.313 44.793 45.100 0.010 0.000 0.662 204 G HN 0.079 nan 8.290 nan 0.000 0.527 205 R N 0.505 121.015 120.500 0.017 0.000 2.593 205 R HA 0.492 4.832 4.340 -0.000 0.000 0.282 205 R C 1.217 177.535 176.300 0.030 0.000 1.300 205 R CA 0.396 56.509 56.100 0.021 0.000 1.221 205 R CB 0.911 31.227 30.300 0.026 0.000 1.157 205 R HN 0.675 nan 8.270 nan 0.000 0.555 206 V N -1.322 118.604 119.914 0.020 0.000 3.121 206 V HA 0.267 4.387 4.120 -0.000 0.000 0.344 206 V C 0.457 176.553 176.094 0.004 0.000 1.390 206 V CA -0.477 61.836 62.300 0.021 0.000 1.177 206 V CB 0.606 32.434 31.823 0.010 0.000 1.163 206 V HN 0.349 nan 8.190 nan 0.000 0.484 207 T N 1.239 115.796 114.554 0.005 0.000 2.882 207 T HA 0.596 4.946 4.350 -0.000 0.000 0.287 207 T C 1.579 176.242 174.700 -0.061 0.000 1.014 207 T CA 0.583 62.667 62.100 -0.026 0.000 1.049 207 T CB 1.670 70.540 68.868 0.004 0.000 1.001 207 T HN 0.591 nan 8.240 nan 0.000 0.525 208 A N 1.659 124.339 122.820 -0.234 0.000 1.908 208 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 208 A C 2.026 179.447 177.584 -0.270 0.000 1.181 208 A CA 1.528 53.214 52.037 -0.586 0.000 0.627 208 A CB -0.844 17.382 19.000 -1.290 0.000 0.818 208 A HN 0.966 nan 8.150 nan 0.000 0.445 209 H N -0.452 118.521 119.070 -0.161 0.000 2.423 209 H HA -0.097 4.459 4.556 -0.000 0.000 0.297 209 H C 1.305 176.628 175.328 -0.009 0.000 1.075 209 H CA 1.552 57.568 56.048 -0.053 0.000 1.342 209 H CB 0.030 29.764 29.762 -0.047 0.000 1.395 209 H HN 0.508 nan 8.280 nan 0.000 0.530 210 D N 0.159 120.618 120.400 0.099 0.000 2.149 210 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 210 D C 2.006 178.355 176.300 0.081 0.000 0.972 210 D CA 0.639 54.684 54.000 0.076 0.000 0.835 210 D CB -0.366 40.472 40.800 0.065 0.000 0.966 210 D HN 0.367 nan 8.370 nan 0.000 0.476 211 Y N 2.077 122.373 120.300 -0.006 0.000 2.145 211 Y HA -0.224 4.326 4.550 -0.000 0.000 0.286 211 Y C 2.189 178.113 175.900 0.040 0.000 1.145 211 Y CA 1.100 59.215 58.100 0.025 0.000 1.148 211 Y CB -0.479 38.020 38.460 0.064 0.000 0.981 211 Y HN -0.237 nan 8.280 nan 0.000 0.507 212 V N 0.762 120.628 119.914 -0.079 0.000 2.287 212 V HA -0.342 3.778 4.120 -0.000 0.000 0.248 212 V C 2.733 178.729 176.094 -0.163 0.000 1.053 212 V CA 1.998 64.205 62.300 -0.155 0.000 1.027 212 V CB -1.745 30.069 31.823 -0.016 0.000 0.646 212 V HN 0.566 nan 8.190 nan 0.000 0.447 213 A N 0.691 123.467 122.820 -0.074 0.000 2.019 213 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 213 A C 2.428 179.965 177.584 -0.078 0.000 1.164 213 A CA 2.030 54.040 52.037 -0.044 0.000 0.644 213 A CB -0.644 18.362 19.000 0.011 0.000 0.805 213 A HN 0.717 nan 8.150 nan 0.000 0.449 214 S N -1.125 114.499 115.700 -0.126 0.000 2.561 214 S HA 0.074 4.544 4.470 -0.000 0.000 0.225 214 S C 0.945 175.419 174.600 -0.210 0.000 0.977 214 S CA 0.174 58.297 58.200 -0.128 0.000 0.926 214 S CB -0.096 63.048 63.200 -0.093 0.000 0.769 214 S HN 0.531 nan 8.310 nan 0.000 0.533 215 R N 2.014 122.343 120.500 -0.285 0.000 2.738 215 R HA 0.340 4.680 4.340 -0.000 0.000 0.280 215 R C -2.920 173.216 176.300 -0.272 0.000 1.456 215 R CA -1.764 54.152 56.100 -0.307 0.000 1.612 215 R CB 1.061 31.134 30.300 -0.378 0.000 1.286 215 R HN 0.392 nan 8.270 nan 0.000 0.660 216 P HA -0.046 nan 4.420 nan 0.000 0.269 216 P C 1.252 178.405 177.300 -0.245 0.000 1.217 216 P CA -0.049 62.930 63.100 -0.203 0.000 0.783 216 P CB 1.215 32.853 31.700 -0.103 0.000 0.898 217 V N 1.918 121.771 119.914 -0.102 0.000 2.380 217 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 217 V C 2.259 178.319 176.094 -0.057 0.000 1.063 217 V CA 2.573 64.828 62.300 -0.076 0.000 1.055 217 V CB -1.642 30.171 31.823 -0.016 0.000 0.657 217 V HN 0.659 nan 8.190 nan 0.000 0.455 218 F N 1.939 121.863 119.950 -0.044 0.000 2.333 218 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 218 F C 2.353 178.131 175.800 -0.037 0.000 1.083 218 F CA 1.531 59.508 58.000 -0.038 0.000 1.395 218 F CB -1.639 37.343 39.000 -0.030 0.000 1.056 218 F HN 0.232 nan 8.300 nan 0.000 0.529 219 T N -1.983 112.130 114.554 -0.735 0.000 2.951 219 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 219 T C 1.709 176.285 174.700 -0.206 0.000 1.073 219 T CA 1.223 63.017 62.100 -0.509 0.000 1.134 219 T CB -0.574 67.975 68.868 -0.532 0.000 0.884 219 T HN 0.684 nan 8.240 nan 0.000 0.479 220 E N 0.719 120.813 120.200 -0.177 0.000 2.122 220 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 220 E C 2.115 178.671 176.600 -0.073 0.000 0.977 220 E CA 0.524 56.853 56.400 -0.119 0.000 0.820 220 E CB -0.063 29.552 29.700 -0.142 0.000 0.770 220 E HN 0.371 nan 8.360 nan 0.000 0.462 221 V N 2.083 121.973 119.914 -0.040 0.000 2.343 221 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 221 V C 2.581 178.683 176.094 0.013 0.000 1.051 221 V CA 2.047 64.344 62.300 -0.005 0.000 1.036 221 V CB -0.559 31.283 31.823 0.031 0.000 0.654 221 V HN 0.364 nan 8.190 nan 0.000 0.451 222 E N 0.760 120.987 120.200 0.046 0.000 2.038 222 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 222 E C 2.291 178.899 176.600 0.013 0.000 1.000 222 E CA 1.936 58.369 56.400 0.055 0.000 0.803 222 E CB -0.297 29.471 29.700 0.114 0.000 0.750 222 E HN 0.497 nan 8.360 nan 0.000 0.448 223 A N 1.342 124.156 122.820 -0.010 0.000 1.883 223 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 223 A C 2.477 180.029 177.584 -0.053 0.000 1.186 223 A CA 1.670 53.687 52.037 -0.034 0.000 0.624 223 A CB -0.788 18.191 19.000 -0.035 0.000 0.822 223 A HN 0.345 nan 8.150 nan 0.000 0.444 224 I N -1.091 119.449 120.570 -0.050 0.000 2.208 224 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 224 I C 2.810 178.916 176.117 -0.019 0.000 1.097 224 I CA 1.486 62.755 61.300 -0.051 0.000 1.363 224 I CB -0.368 37.599 38.000 -0.056 0.000 1.051 224 I HN 0.311 nan 8.210 nan 0.000 0.413 225 R N 0.313 120.811 120.500 -0.003 0.000 2.075 225 R HA -0.187 4.153 4.340 -0.000 0.000 0.232 225 R C 2.435 178.766 176.300 0.052 0.000 1.126 225 R CA 1.428 57.541 56.100 0.022 0.000 0.963 225 R CB -0.308 29.998 30.300 0.010 0.000 0.858 225 R HN 0.242 nan 8.270 nan 0.000 0.435 226 R N 0.657 121.174 120.500 0.029 0.000 2.070 226 R HA -0.110 4.230 4.340 -0.000 0.000 0.233 226 R C 1.967 178.299 176.300 0.054 0.000 1.137 226 R CA 1.628 57.759 56.100 0.051 0.000 0.945 226 R CB -0.544 29.759 30.300 0.005 0.000 0.845 226 R HN 0.001 nan 8.270 nan 0.000 0.430 227 V N 1.190 121.068 119.914 -0.060 0.000 2.343 227 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 227 V C 2.416 178.561 176.094 0.084 0.000 1.051 227 V CA 1.902 64.122 62.300 -0.132 0.000 1.036 227 V CB -0.536 31.129 31.823 -0.263 0.000 0.654 227 V HN 0.326 nan 8.190 nan 0.000 0.451 228 L N -1.315 119.956 121.223 0.080 0.000 2.012 228 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 228 L C 2.511 179.479 176.870 0.164 0.000 1.073 228 L CA 2.223 57.129 54.840 0.110 0.000 0.748 228 L CB -0.700 41.411 42.059 0.086 0.000 0.891 228 L HN 0.389 nan 8.230 nan 0.000 0.431 229 Y N 0.464 120.804 120.300 0.068 0.000 2.145 229 Y HA -0.227 4.323 4.550 -0.000 0.000 0.286 229 Y C 2.349 178.329 175.900 0.134 0.000 1.145 229 Y CA 1.464 59.610 58.100 0.078 0.000 1.148 229 Y CB -0.286 38.204 38.460 0.050 0.000 0.981 229 Y HN -0.017 nan 8.280 nan 0.000 0.507 230 L N -0.501 120.805 121.223 0.138 0.000 2.046 230 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 230 L C 2.751 179.765 176.870 0.240 0.000 1.077 230 L CA 1.221 56.184 54.840 0.205 0.000 0.747 230 L CB -1.034 41.303 42.059 0.465 0.000 0.896 230 L HN 0.312 nan 8.230 nan 0.000 0.432 231 A N 0.300 123.289 122.820 0.282 0.000 1.902 231 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 231 A C 2.292 179.893 177.584 0.028 0.000 1.181 231 A CA 2.094 54.220 52.037 0.148 0.000 0.623 231 A CB -0.418 18.698 19.000 0.193 0.000 0.818 231 A HN 0.290 nan 8.150 nan 0.000 0.443 232 K N -0.013 120.391 120.400 0.007 0.000 1.991 232 K HA -0.111 4.208 4.320 -0.000 0.000 0.212 232 K C 1.604 178.161 176.600 -0.072 0.000 1.049 232 K CA 2.230 58.493 56.287 -0.040 0.000 0.932 232 K CB -0.774 31.697 32.500 -0.049 0.000 0.717 232 K HN 0.173 nan 8.250 nan 0.000 0.441 233 V N 0.948 120.780 119.914 -0.137 0.000 2.515 233 V HA -0.143 3.977 4.120 -0.000 0.000 0.250 233 V C 2.324 178.489 176.094 0.118 0.000 1.058 233 V CA 1.801 64.074 62.300 -0.046 0.000 1.064 233 V CB -0.833 30.908 31.823 -0.136 0.000 0.675 233 V HN 0.512 nan 8.190 nan 0.000 0.461 234 A N -0.243 122.633 122.820 0.092 0.000 2.119 234 A HA 0.311 4.631 4.320 -0.000 0.000 0.217 234 A C 1.978 179.447 177.584 -0.190 0.000 1.153 234 A CA 1.102 53.024 52.037 -0.192 0.000 0.692 234 A CB -0.592 18.160 19.000 -0.414 0.000 0.799 234 A HN 1.315 nan 8.150 nan 0.000 0.458 235 G N -1.808 106.930 108.800 -0.103 0.000 2.212 235 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.255 235 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.255 235 G C -0.008 174.827 174.900 -0.109 0.000 1.062 235 G CA 0.236 45.282 45.100 -0.091 0.000 0.815 235 G HN 1.157 nan 8.290 nan 0.000 0.497 236 C N 0.048 119.282 119.300 -0.111 0.000 2.455 236 C HA 0.811 5.271 4.460 -0.000 0.000 0.320 236 C C 1.028 175.987 174.990 -0.052 0.000 1.226 236 C CA -1.224 57.728 59.018 -0.110 0.000 1.569 236 C CB 1.004 28.633 27.740 -0.185 0.000 2.200 236 C HN 0.761 nan 8.230 nan 0.000 0.491 237 R N 4.048 124.526 120.500 -0.038 0.000 2.590 237 R HA 0.464 4.804 4.340 -0.000 0.000 0.274 237 R C -0.833 175.479 176.300 0.020 0.000 1.061 237 R CA 0.005 56.098 56.100 -0.013 0.000 1.081 237 R CB 0.457 30.744 30.300 -0.022 0.000 0.984 237 R HN 0.746 nan 8.270 nan 0.000 0.448 238 L N 4.767 126.015 121.223 0.041 0.000 2.381 238 L HA 0.382 4.722 4.340 -0.000 0.000 0.268 238 L C -1.642 175.292 176.870 0.107 0.000 0.997 238 L CA -0.545 54.346 54.840 0.084 0.000 0.818 238 L CB 1.838 43.951 42.059 0.090 0.000 1.310 238 L HN 0.854 nan 8.230 nan 0.000 0.416 239 H N 4.640 123.727 119.070 0.028 0.000 2.727 239 H HA 0.411 4.967 4.556 -0.000 0.000 0.330 239 H C -1.532 173.798 175.328 0.003 0.000 0.986 239 H CA -0.491 55.569 56.048 0.019 0.000 1.251 239 H CB 2.044 31.853 29.762 0.077 0.000 1.493 239 H HN 0.434 nan 8.280 nan 0.000 0.515 240 V N 6.025 125.690 119.914 -0.416 0.000 2.427 240 V HA 0.035 4.155 4.120 -0.000 0.000 0.268 240 V C 0.809 176.608 176.094 -0.492 0.000 1.046 240 V CA -0.386 61.704 62.300 -0.349 0.000 0.970 240 V CB 0.066 31.750 31.823 -0.233 0.000 1.001 240 V HN 0.786 nan 8.190 nan 0.000 0.476 241 C N 5.348 124.407 119.300 -0.402 0.000 2.657 241 C HA 0.230 4.690 4.460 -0.000 0.000 0.404 241 C C 0.883 175.573 174.990 -0.501 0.000 1.291 241 C CA -0.495 58.249 59.018 -0.456 0.000 2.218 241 C CB -0.592 26.782 27.740 -0.611 0.000 2.687 241 C HN 1.179 nan 8.230 nan 0.000 0.634 242 H N -0.238 118.832 119.070 0.001 0.000 1.779 242 H HA -0.081 4.475 4.556 -0.000 0.000 0.310 242 H C -0.571 174.590 175.328 -0.278 0.000 0.785 242 H CA 0.047 56.056 56.048 -0.064 0.000 1.035 242 H CB -1.878 27.911 29.762 0.045 0.000 1.505 242 H HN 0.308 nan 8.280 nan 0.000 0.260 243 V N 2.440 122.262 119.914 -0.154 0.000 2.555 243 V HA 0.143 4.263 4.120 -0.000 0.000 0.286 243 V C 1.442 177.196 176.094 -0.567 0.000 1.044 243 V CA 0.462 62.600 62.300 -0.269 0.000 1.026 243 V CB 1.450 33.157 31.823 -0.192 0.000 0.981 243 V HN 0.956 nan 8.190 nan 0.000 0.480 244 S N 1.569 116.900 115.700 -0.614 0.000 2.512 244 S HA 0.159 4.629 4.470 -0.000 0.000 0.216 244 S C 0.638 174.972 174.600 -0.443 0.000 1.006 244 S CA 0.234 57.935 58.200 -0.831 0.000 0.915 244 S CB 0.259 63.032 63.200 -0.711 0.000 0.824 244 S HN 0.908 nan 8.310 nan 0.000 0.497 245 S N 0.758 116.279 115.700 -0.299 0.000 2.570 245 S HA 0.612 5.082 4.470 -0.000 0.000 0.286 245 S C -2.563 171.951 174.600 -0.143 0.000 1.099 245 S CA -1.375 56.712 58.200 -0.188 0.000 0.913 245 S CB 1.946 65.067 63.200 -0.133 0.000 1.085 245 S HN -0.021 nan 8.310 nan 0.000 0.480 246 P HA -0.026 nan 4.420 nan 0.000 0.221 246 P C 0.764 178.040 177.300 -0.041 0.000 1.150 246 P CA 1.090 64.157 63.100 -0.056 0.000 0.800 246 P CB 0.084 31.770 31.700 -0.023 0.000 0.787 247 E N 0.205 120.380 120.200 -0.042 0.000 2.110 247 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 247 E C 2.347 178.925 176.600 -0.038 0.000 0.988 247 E CA 1.597 57.980 56.400 -0.028 0.000 0.804 247 E CB -1.249 28.441 29.700 -0.017 0.000 0.745 247 E HN 0.282 nan 8.360 nan 0.000 0.458 248 G N 0.143 108.904 108.800 -0.065 0.000 2.402 248 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 248 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 248 G C 1.716 176.576 174.900 -0.066 0.000 1.162 248 G CA 0.754 45.809 45.100 -0.075 0.000 0.777 248 G HN 0.179 nan 8.290 nan 0.000 0.539 249 V N 0.890 120.763 119.914 -0.067 0.000 2.332 249 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 249 V C 2.637 178.716 176.094 -0.025 0.000 1.055 249 V CA 2.223 64.494 62.300 -0.047 0.000 1.038 249 V CB -0.583 31.219 31.823 -0.034 0.000 0.651 249 V HN 0.460 nan 8.190 nan 0.000 0.450 250 E N -0.376 119.814 120.200 -0.018 0.000 2.160 250 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 250 E C 2.249 178.845 176.600 -0.006 0.000 0.991 250 E CA 1.340 57.737 56.400 -0.006 0.000 0.810 250 E CB -0.094 29.604 29.700 -0.003 0.000 0.742 250 E HN 0.518 nan 8.360 nan 0.000 0.466 251 E N 0.166 120.358 120.200 -0.014 0.000 2.047 251 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 251 E C 1.991 178.587 176.600 -0.007 0.000 0.987 251 E CA 0.668 57.063 56.400 -0.009 0.000 0.799 251 E CB -0.069 29.621 29.700 -0.016 0.000 0.752 251 E HN 0.031 nan 8.360 nan 0.000 0.449 252 V N 0.192 120.095 119.914 -0.019 0.000 2.343 252 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 252 V C 2.223 178.313 176.094 -0.006 0.000 1.051 252 V CA 2.148 64.437 62.300 -0.019 0.000 1.036 252 V CB -0.788 31.012 31.823 -0.039 0.000 0.654 252 V HN 0.324 nan 8.190 nan 0.000 0.451 253 T N 0.006 114.558 114.554 -0.004 0.000 2.708 253 T HA -0.244 4.106 4.350 -0.000 0.000 0.266 253 T C 2.009 176.714 174.700 0.008 0.000 1.037 253 T CA 1.942 64.044 62.100 0.004 0.000 1.146 253 T CB -0.300 68.573 68.868 0.008 0.000 0.865 253 T HN 0.505 nan 8.240 nan 0.000 0.435 254 R N 1.367 121.873 120.500 0.009 0.000 2.097 254 R HA -0.124 4.216 4.340 -0.000 0.000 0.236 254 R C 2.579 178.889 176.300 0.018 0.000 1.135 254 R CA 1.843 57.951 56.100 0.013 0.000 0.934 254 R CB -0.706 29.601 30.300 0.012 0.000 0.846 254 R HN 0.335 nan 8.270 nan 0.000 0.431 255 A N 1.317 124.149 122.820 0.021 0.000 1.892 255 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 255 A C 2.294 179.892 177.584 0.022 0.000 1.188 255 A CA 1.873 53.927 52.037 0.029 0.000 0.631 255 A CB -0.559 18.461 19.000 0.033 0.000 0.822 255 A HN 0.504 nan 8.150 nan 0.000 0.447 256 R N -0.831 119.677 120.500 0.014 0.000 2.096 256 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 256 R C 2.362 178.669 176.300 0.011 0.000 1.127 256 R CA 1.534 57.640 56.100 0.010 0.000 0.968 256 R CB -0.341 29.962 30.300 0.005 0.000 0.861 256 R HN 0.668 nan 8.270 nan 0.000 0.440 257 Q N 0.507 120.315 119.800 0.013 0.000 2.291 257 Q HA -0.134 4.206 4.340 -0.000 0.000 0.205 257 Q C 1.167 177.176 176.000 0.015 0.000 0.970 257 Q CA 1.071 56.882 55.803 0.013 0.000 0.876 257 Q CB 0.222 28.968 28.738 0.014 0.000 0.935 257 Q HN 0.453 nan 8.270 nan 0.000 0.455 258 E N -1.197 119.015 120.200 0.019 0.000 2.489 258 E HA 0.042 4.392 4.350 -0.000 0.000 0.193 258 E C 0.810 177.422 176.600 0.021 0.000 1.057 258 E CA 0.359 56.773 56.400 0.023 0.000 0.866 258 E CB 0.516 30.236 29.700 0.033 0.000 0.916 258 E HN 0.468 nan 8.360 nan 0.000 0.500 259 G N 1.438 110.248 108.800 0.016 0.000 2.179 259 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 259 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 259 G C 0.102 175.008 174.900 0.010 0.000 0.990 259 G CA -0.365 44.742 45.100 0.012 0.000 0.646 259 G HN 0.207 nan 8.290 nan 0.000 0.517 260 Q N 0.521 120.330 119.800 0.015 0.000 2.352 260 Q HA 0.274 4.614 4.340 -0.000 0.000 0.260 260 Q C -0.638 175.366 176.000 0.005 0.000 0.976 260 Q CA -0.239 55.572 55.803 0.014 0.000 0.881 260 Q CB 0.865 29.618 28.738 0.025 0.000 1.235 260 Q HN 0.212 nan 8.270 nan 0.000 0.419 261 D N 3.318 123.718 120.400 -0.000 0.000 2.435 261 D HA 0.259 4.899 4.640 -0.000 0.000 0.230 261 D C -1.001 175.298 176.300 -0.002 0.000 1.215 261 D CA 0.134 54.129 54.000 -0.008 0.000 0.947 261 D CB -0.156 40.634 40.800 -0.017 0.000 1.048 261 D HN 0.348 nan 8.370 nan 0.000 0.512 262 I N 1.645 122.215 120.570 -0.001 0.000 2.619 262 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 262 I C 0.343 176.460 176.117 0.000 0.000 1.100 262 I CA -0.664 60.639 61.300 0.004 0.000 1.043 262 I CB 2.463 40.465 38.000 0.004 0.000 1.239 262 I HN 0.123 nan 8.210 nan 0.000 0.420 263 T N 0.898 115.462 114.554 0.017 0.000 2.888 263 T HA 0.848 5.198 4.350 -0.000 0.000 0.288 263 T C -0.494 174.177 174.700 -0.050 0.000 1.063 263 T CA -0.811 61.313 62.100 0.039 0.000 1.010 263 T CB 1.987 70.925 68.868 0.117 0.000 1.214 263 T HN 0.921 nan 8.240 nan 0.000 0.533 264 C N -0.232 119.021 119.300 -0.079 0.000 3.318 264 C HA 0.975 5.435 4.460 -0.000 0.000 0.322 264 C C -1.166 173.761 174.990 -0.106 0.000 1.398 264 C CA -0.862 57.993 59.018 -0.272 0.000 1.339 264 C CB 1.013 28.650 27.740 -0.171 0.000 1.668 264 C HN 1.402 nan 8.230 nan 0.000 0.462 265 E N 1.131 121.255 120.200 -0.127 0.000 2.445 265 E HA 0.835 5.185 4.350 -0.000 0.000 0.273 265 E C -0.933 175.690 176.600 0.038 0.000 0.961 265 E CA -0.421 56.013 56.400 0.056 0.000 0.807 265 E CB 2.005 31.830 29.700 0.209 0.000 1.362 265 E HN 0.933 nan 8.360 nan 0.000 0.453 266 S N -0.992 114.774 115.700 0.110 0.000 2.776 266 S HA 0.667 5.137 4.470 -0.000 0.000 0.292 266 S C -1.502 173.223 174.600 0.207 0.000 1.187 266 S CA -0.502 57.793 58.200 0.159 0.000 0.834 266 S CB 1.306 64.648 63.200 0.237 0.000 1.199 266 S HN 0.715 nan 8.310 nan 0.000 0.514 267 C N 1.500 120.954 119.300 0.257 0.000 2.889 267 C HA 0.533 4.993 4.460 -0.000 0.000 0.307 267 C C -1.694 173.308 174.990 0.021 0.000 1.251 267 C CA -1.198 57.828 59.018 0.013 0.000 1.593 267 C CB 1.195 28.719 27.740 -0.361 0.000 2.104 267 C HN 0.691 nan 8.230 nan 0.000 0.476 268 P HA -0.168 nan 4.420 nan 0.000 0.216 268 P C 0.989 178.401 177.300 0.187 0.000 1.150 268 P CA 1.683 64.883 63.100 0.167 0.000 0.843 268 P CB -0.216 31.570 31.700 0.143 0.000 0.787 269 H N -3.851 115.256 119.070 0.062 0.000 2.518 269 H HA -0.104 4.452 4.556 -0.000 0.000 0.289 269 H C 0.957 176.140 175.328 -0.241 0.000 1.051 269 H CA 0.910 56.898 56.048 -0.098 0.000 1.280 269 H CB -1.365 28.208 29.762 -0.315 0.000 1.380 269 H HN 0.223 nan 8.280 nan 0.000 0.566 270 Y N -0.982 119.223 120.300 -0.158 0.000 2.511 270 Y HA 0.142 4.692 4.550 -0.000 0.000 0.279 270 Y C 0.903 176.516 175.900 -0.479 0.000 1.157 270 Y CA -0.059 57.857 58.100 -0.307 0.000 1.300 270 Y CB 0.112 38.289 38.460 -0.472 0.000 1.052 270 Y HN 0.210 nan 8.280 nan 0.000 0.529 271 F N -3.343 116.583 119.950 -0.039 0.000 2.694 271 F HA 0.160 4.687 4.527 -0.000 0.000 0.292 271 F C 1.704 177.643 175.800 0.232 0.000 1.121 271 F CA 0.288 58.192 58.000 -0.160 0.000 1.352 271 F CB 0.179 38.831 39.000 -0.579 0.000 1.107 271 F HN -0.282 nan 8.300 nan 0.000 0.597 272 V N 0.313 120.456 119.914 0.381 0.000 3.643 272 V HA 0.281 4.401 4.120 -0.000 0.000 0.280 272 V C 0.060 176.328 176.094 0.291 0.000 1.351 272 V CA 0.492 63.025 62.300 0.387 0.000 1.073 272 V CB 0.409 32.460 31.823 0.379 0.000 0.863 272 V HN -0.035 nan 8.190 nan 0.000 0.436 273 L N 0.462 121.814 121.223 0.216 0.000 2.350 273 L HA 0.597 4.937 4.340 -0.000 0.000 0.260 273 L C -1.171 175.776 176.870 0.128 0.000 1.015 273 L CA -0.746 54.186 54.840 0.153 0.000 0.821 273 L CB 2.350 44.461 42.059 0.087 0.000 1.370 273 L HN 0.221 nan 8.230 nan 0.000 0.416 274 D N -1.778 118.699 120.400 0.128 0.000 2.614 274 D HA 0.316 4.956 4.640 -0.000 0.000 0.264 274 D C 0.412 176.792 176.300 0.132 0.000 1.092 274 D CA -0.529 53.543 54.000 0.120 0.000 1.071 274 D CB 0.919 41.791 40.800 0.119 0.000 1.443 274 D HN 0.363 nan 8.370 nan 0.000 0.528 275 T N -0.717 113.891 114.554 0.090 0.000 2.746 275 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 275 T C 0.891 175.585 174.700 -0.010 0.000 1.039 275 T CA 1.535 63.636 62.100 0.002 0.000 1.142 275 T CB -0.395 68.322 68.868 -0.252 0.000 0.866 275 T HN 0.409 nan 8.240 nan 0.000 0.444 276 D N 1.498 121.969 120.400 0.118 0.000 2.104 276 D HA -0.099 4.541 4.640 -0.000 0.000 0.194 276 D C 2.403 178.788 176.300 0.142 0.000 0.994 276 D CA 1.140 55.264 54.000 0.206 0.000 0.830 276 D CB -0.309 40.596 40.800 0.175 0.000 0.959 276 D HN 0.519 nan 8.370 nan 0.000 0.452 277 Q N -0.591 119.292 119.800 0.138 0.000 2.170 277 Q HA -0.142 4.198 4.340 -0.000 0.000 0.203 277 Q C 2.074 178.179 176.000 0.175 0.000 0.976 277 Q CA 0.641 56.524 55.803 0.132 0.000 0.858 277 Q CB -0.207 28.605 28.738 0.124 0.000 0.907 277 Q HN 0.264 nan 8.270 nan 0.000 0.433 278 F N 2.308 122.255 119.950 -0.005 0.000 2.146 278 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 278 F C 2.044 177.836 175.800 -0.013 0.000 1.096 278 F CA 1.771 59.751 58.000 -0.033 0.000 1.275 278 F CB -0.409 38.561 39.000 -0.050 0.000 1.008 278 F HN -0.019 nan 8.300 nan 0.000 0.480 279 E N 0.480 120.624 120.200 -0.093 0.000 2.085 279 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 279 E C 2.130 178.712 176.600 -0.029 0.000 0.994 279 E CA 1.654 57.961 56.400 -0.155 0.000 0.801 279 E CB -0.286 29.433 29.700 0.032 0.000 0.743 279 E HN 0.438 nan 8.360 nan 0.000 0.453 280 E N 0.065 120.289 120.200 0.041 0.000 2.017 280 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 280 E C 2.001 178.631 176.600 0.051 0.000 0.997 280 E CA 1.600 58.028 56.400 0.046 0.000 0.804 280 E CB -0.273 29.463 29.700 0.060 0.000 0.757 280 E HN 0.384 nan 8.360 nan 0.000 0.448 281 I N -0.509 120.111 120.570 0.084 0.000 2.226 281 I HA -0.073 4.097 4.170 -0.000 0.000 0.245 281 I C 1.513 177.677 176.117 0.077 0.000 1.100 281 I CA 0.899 62.245 61.300 0.076 0.000 1.374 281 I CB -0.595 37.448 38.000 0.071 0.000 1.057 281 I HN 0.347 nan 8.210 nan 0.000 0.413 282 G N 0.466 109.340 108.800 0.123 0.000 2.428 282 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.202 282 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.202 282 G C 0.634 175.648 174.900 0.190 0.000 1.247 282 G CA 0.085 45.241 45.100 0.094 0.000 1.020 282 G HN 0.214 nan 8.290 nan 0.000 0.529 283 T N -0.330 114.282 114.554 0.096 0.000 2.977 283 T HA 0.038 4.388 4.350 -0.000 0.000 0.271 283 T C 2.449 177.142 174.700 -0.013 0.000 1.105 283 T CA 1.779 63.918 62.100 0.065 0.000 1.116 283 T CB -0.177 68.695 68.868 0.007 0.000 0.878 283 T HN 0.629 nan 8.240 nan 0.000 0.509 284 L N 0.250 121.460 121.223 -0.023 0.000 2.362 284 L HA 0.129 4.469 4.340 -0.000 0.000 0.219 284 L C 2.689 179.436 176.870 -0.205 0.000 1.134 284 L CA 0.993 55.779 54.840 -0.090 0.000 0.807 284 L CB -0.455 41.564 42.059 -0.066 0.000 0.927 284 L HN 0.433 nan 8.230 nan 0.000 0.447 285 A N -0.282 122.406 122.820 -0.220 0.000 2.423 285 A HA 0.071 4.391 4.320 -0.000 0.000 0.246 285 A C 0.683 177.685 177.584 -0.970 0.000 1.278 285 A CA -0.277 51.465 52.037 -0.493 0.000 0.903 285 A CB -0.106 18.698 19.000 -0.326 0.000 0.997 285 A HN 0.143 nan 8.150 nan 0.000 0.510 286 K N 0.930 120.943 120.400 -0.646 0.000 2.276 286 K HA 0.450 4.770 4.320 -0.000 0.000 0.285 286 K C -0.507 175.804 176.600 -0.481 0.000 1.062 286 K CA -0.118 55.779 56.287 -0.650 0.000 0.918 286 K CB 0.201 32.505 32.500 -0.326 0.000 1.055 286 K HN 0.483 nan 8.250 nan 0.000 0.477 287 C N 1.246 120.325 119.300 -0.368 0.000 3.090 287 C HA 0.533 4.993 4.460 -0.000 0.000 0.305 287 C C 1.593 176.564 174.990 -0.031 0.000 1.292 287 C CA -0.887 57.978 59.018 -0.255 0.000 1.482 287 C CB 1.145 28.697 27.740 -0.314 0.000 1.897 287 C HN 0.878 nan 8.230 nan 0.000 0.469 288 S N 1.650 117.320 115.700 -0.049 0.000 2.523 288 S HA -0.004 4.466 4.470 -0.000 0.000 0.226 288 S C -1.897 172.722 174.600 0.033 0.000 1.062 288 S CA 1.555 59.783 58.200 0.046 0.000 1.207 288 S CB -1.224 62.052 63.200 0.127 0.000 1.151 288 S HN 0.848 nan 8.310 nan 0.000 0.408 289 P HA 0.202 nan 4.420 nan 0.000 0.262 289 P C -2.410 174.941 177.300 0.084 0.000 1.199 289 P CA -1.057 61.982 63.100 -0.103 0.000 0.763 289 P CB 0.408 31.928 31.700 -0.299 0.000 0.790 290 P HA 0.105 nan 4.420 nan 0.000 0.272 290 P C -0.151 177.268 177.300 0.197 0.000 1.230 290 P CA 0.015 63.182 63.100 0.111 0.000 0.788 290 P CB 0.846 32.524 31.700 -0.038 0.000 0.949 291 I N 2.194 122.843 120.570 0.132 0.000 2.421 291 I HA 0.099 4.269 4.170 -0.000 0.000 0.291 291 I C 1.397 177.592 176.117 0.131 0.000 1.089 291 I CA -0.097 61.283 61.300 0.133 0.000 1.354 291 I CB 0.147 38.124 38.000 -0.037 0.000 1.413 291 I HN 0.235 nan 8.210 nan 0.000 0.513 292 R N 4.365 124.925 120.500 0.100 0.000 2.652 292 R HA 0.166 4.506 4.340 -0.000 0.000 0.272 292 R C -0.140 176.190 176.300 0.050 0.000 1.162 292 R CA -0.536 55.590 56.100 0.044 0.000 1.199 292 R CB 0.205 30.505 30.300 -0.000 0.000 1.166 292 R HN 0.610 nan 8.270 nan 0.000 0.597 293 D N -0.471 119.953 120.400 0.041 0.000 2.371 293 D HA -0.059 4.581 4.640 -0.000 0.000 0.242 293 D C 1.162 177.505 176.300 0.071 0.000 1.218 293 D CA -0.272 53.765 54.000 0.062 0.000 0.945 293 D CB 0.369 41.213 40.800 0.072 0.000 1.137 293 D HN 0.339 nan 8.370 nan 0.000 0.464 294 L N -0.514 120.762 121.223 0.088 0.000 2.043 294 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 294 L C 2.325 179.249 176.870 0.091 0.000 1.075 294 L CA 2.154 57.053 54.840 0.098 0.000 0.752 294 L CB -0.359 41.757 42.059 0.096 0.000 0.891 294 L HN 0.710 nan 8.230 nan 0.000 0.432 295 E N -0.195 120.049 120.200 0.072 0.000 2.153 295 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 295 E C 1.921 178.555 176.600 0.057 0.000 0.988 295 E CA 1.393 57.831 56.400 0.063 0.000 0.811 295 E CB -0.180 29.550 29.700 0.050 0.000 0.746 295 E HN 0.514 nan 8.360 nan 0.000 0.466 296 N N 0.693 119.417 118.700 0.041 0.000 2.171 296 N HA -0.231 4.509 4.740 -0.000 0.000 0.184 296 N C 1.953 177.464 175.510 0.001 0.000 1.021 296 N CA 1.374 54.429 53.050 0.010 0.000 0.854 296 N CB -0.144 38.336 38.487 -0.011 0.000 0.994 296 N HN 0.357 nan 8.380 nan 0.000 0.426 297 Q N 0.406 120.226 119.800 0.035 0.000 2.124 297 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 297 Q C 1.581 177.698 176.000 0.195 0.000 0.977 297 Q CA 1.359 57.193 55.803 0.052 0.000 0.850 297 Q CB 0.120 28.945 28.738 0.146 0.000 0.901 297 Q HN 0.111 nan 8.270 nan 0.000 0.429 298 K N 0.358 120.878 120.400 0.200 0.000 2.002 298 K HA -0.036 4.284 4.320 -0.000 0.000 0.209 298 K C 1.020 177.749 176.600 0.215 0.000 1.048 298 K CA 1.134 57.563 56.287 0.237 0.000 0.930 298 K CB -0.935 31.648 32.500 0.138 0.000 0.714 298 K HN 0.368 nan 8.250 nan 0.000 0.438 302 E N 1.373 121.856 120.200 0.471 0.000 2.077 302 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 302 E C 1.669 178.443 176.600 0.290 0.000 0.989 302 E CA 1.640 58.231 56.400 0.317 0.000 0.800 302 E CB 0.190 30.003 29.700 0.188 0.000 0.746 302 E HN -0.086 nan 8.360 nan 0.000 0.452 303 K N 0.723 121.264 120.400 0.236 0.000 2.057 303 K HA -0.054 4.266 4.320 -0.000 0.000 0.207 303 K C 2.015 178.725 176.600 0.184 0.000 1.049 303 K CA 0.673 57.061 56.287 0.169 0.000 0.931 303 K CB -0.477 32.089 32.500 0.109 0.000 0.714 303 K HN 0.173 nan 8.250 nan 0.000 0.440 304 L N -0.648 120.723 121.223 0.246 0.000 1.994 304 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 304 L C 1.891 178.812 176.870 0.085 0.000 1.071 304 L CA 1.639 56.543 54.840 0.107 0.000 0.745 304 L CB -0.262 41.772 42.059 -0.041 0.000 0.892 304 L HN 0.151 nan 8.230 nan 0.000 0.431 305 F N 0.663 120.715 119.950 0.170 0.000 2.202 305 F HA -0.240 4.287 4.527 -0.000 0.000 0.301 305 F C 2.043 177.896 175.800 0.089 0.000 1.082 305 F CA 1.811 59.894 58.000 0.138 0.000 1.313 305 F CB -0.480 38.614 39.000 0.157 0.000 1.024 305 F HN 0.428 nan 8.300 nan 0.000 0.495 306 N N -0.584 118.260 118.700 0.241 0.000 2.389 306 N HA 0.218 4.958 4.740 -0.000 0.000 0.237 306 N C 1.035 176.597 175.510 0.087 0.000 1.148 306 N CA 0.545 53.684 53.050 0.148 0.000 0.854 306 N CB 0.030 38.593 38.487 0.127 0.000 1.115 306 N HN 0.172 nan 8.380 nan 0.000 0.492 307 G N 0.555 109.391 108.800 0.060 0.000 2.225 307 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.267 307 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.267 307 G C 0.399 175.313 174.900 0.023 0.000 1.024 307 G CA 0.528 45.643 45.100 0.024 0.000 0.784 307 G HN 0.647 nan 8.290 nan 0.000 0.507 308 E N -0.995 119.227 120.200 0.037 0.000 2.474 308 E HA 0.229 4.579 4.350 -0.000 0.000 0.194 308 E C 0.866 177.476 176.600 0.017 0.000 1.041 308 E CA 0.171 56.588 56.400 0.028 0.000 0.874 308 E CB 0.430 30.152 29.700 0.038 0.000 0.914 308 E HN 0.648 nan 8.360 nan 0.000 0.498 309 I N 1.593 122.173 120.570 0.016 0.000 2.382 309 I HA 0.079 4.249 4.170 -0.000 0.000 0.285 309 I C 0.588 176.702 176.117 -0.005 0.000 1.007 309 I CA -0.446 60.861 61.300 0.011 0.000 1.142 309 I CB 1.596 39.621 38.000 0.041 0.000 1.289 309 I HN -0.098 nan 8.210 nan 0.000 0.453 310 D N 4.622 125.028 120.400 0.010 0.000 2.097 310 D HA -0.094 4.546 4.640 -0.000 0.000 0.195 310 D C 0.485 176.790 176.300 0.008 0.000 0.989 310 D CA 1.398 55.405 54.000 0.012 0.000 0.827 310 D CB 0.283 41.105 40.800 0.037 0.000 0.966 310 D HN 0.578 nan 8.370 nan 0.000 0.456 311 C N -0.815 118.512 119.300 0.045 0.000 3.241 311 C HA 0.712 5.172 4.460 -0.000 0.000 0.312 311 C C -0.991 174.011 174.990 0.020 0.000 1.350 311 C CA -1.253 57.778 59.018 0.021 0.000 1.415 311 C CB 1.008 28.786 27.740 0.064 0.000 1.770 311 C HN 0.021 nan 8.230 nan 0.000 0.466 312 L N 2.315 123.520 121.223 -0.030 0.000 2.322 312 L HA 0.834 5.174 4.340 -0.000 0.000 0.281 312 L C 0.234 177.120 176.870 0.027 0.000 1.014 312 L CA 0.024 54.848 54.840 -0.025 0.000 0.815 312 L CB 1.684 43.668 42.059 -0.126 0.000 1.247 312 L HN 0.936 nan 8.230 nan 0.000 0.421 313 V N 0.191 120.152 119.914 0.078 0.000 3.126 313 V HA 0.705 4.825 4.120 -0.000 0.000 0.314 313 V C 0.572 176.728 176.094 0.103 0.000 1.138 313 V CA 0.084 62.445 62.300 0.102 0.000 1.034 313 V CB 1.621 33.548 31.823 0.174 0.000 1.075 313 V HN 0.754 nan 8.190 nan 0.000 0.442 314 S N -0.757 115.015 115.700 0.119 0.000 2.439 314 S HA -0.020 4.450 4.470 -0.000 0.000 0.224 314 S C 1.047 175.760 174.600 0.189 0.000 1.029 314 S CA 1.176 59.477 58.200 0.169 0.000 0.946 314 S CB -0.586 62.716 63.200 0.171 0.000 0.797 314 S HN 1.604 nan 8.310 nan 0.000 0.504 315 D N 1.021 121.452 120.400 0.052 0.000 2.751 315 D HA -0.244 4.396 4.640 -0.000 0.000 0.233 315 D C -0.196 176.229 176.300 0.208 0.000 1.149 315 D CA 0.808 54.763 54.000 -0.074 0.000 0.682 315 D CB -2.486 38.253 40.800 -0.102 0.000 1.068 315 D HN 0.811 nan 8.370 nan 0.000 0.429 316 H N 0.338 119.493 119.070 0.140 0.000 3.157 316 H HA 0.313 4.869 4.556 -0.000 0.000 0.299 316 H C -0.318 175.121 175.328 0.184 0.000 0.961 316 H CA 1.390 57.502 56.048 0.107 0.000 1.428 316 H CB 0.370 30.177 29.762 0.075 0.000 1.459 316 H HN 0.019 nan 8.280 nan 0.000 0.566 317 S N 7.816 123.353 115.700 -0.272 0.000 2.312 317 S HA 0.290 4.760 4.470 -0.000 0.000 0.173 317 S C -2.980 171.514 174.600 -0.176 0.000 1.488 317 S CA -1.226 56.885 58.200 -0.148 0.000 1.239 317 S CB 0.334 63.494 63.200 -0.066 0.000 1.215 317 S HN 0.655 nan 8.310 nan 0.000 0.438 318 P HA 0.638 nan 4.420 nan 0.000 0.278 318 P C -0.547 176.660 177.300 -0.154 0.000 1.266 318 P CA -0.370 62.570 63.100 -0.267 0.000 0.807 318 P CB 0.900 32.396 31.700 -0.339 0.000 1.094 319 C N -2.196 116.994 119.300 -0.184 0.000 3.303 319 C HA 0.536 4.996 4.460 -0.000 0.000 0.340 319 C C -3.041 171.753 174.990 -0.326 0.000 1.274 319 C CA -2.064 56.719 59.018 -0.392 0.000 1.234 319 C CB 0.164 27.439 27.740 -0.774 0.000 1.532 319 C HN 0.339 nan 8.230 nan 0.000 0.483 320 P HA 0.215 nan 4.420 nan 0.000 0.264 320 P C -1.624 175.424 177.300 -0.419 0.000 1.193 320 P CA -0.565 62.216 63.100 -0.533 0.000 0.763 320 P CB 0.382 31.878 31.700 -0.341 0.000 0.810 321 P HA -0.165 nan 4.420 nan 0.000 0.229 321 P C 0.149 177.355 177.300 -0.157 0.000 1.150 321 P CA 1.169 64.131 63.100 -0.231 0.000 0.765 321 P CB 0.255 31.843 31.700 -0.187 0.000 0.783 325 A N 0.425 123.231 122.820 -0.023 0.000 2.286 325 A HA 0.826 5.146 4.320 -0.000 0.000 0.286 325 A C 0.750 178.325 177.584 -0.015 0.000 1.097 325 A CA 0.411 52.436 52.037 -0.021 0.000 0.821 325 A CB 0.173 19.157 19.000 -0.027 0.000 1.076 325 A HN 0.582 nan 8.150 nan 0.000 0.490 326 G N 0.608 109.400 108.800 -0.013 0.000 2.685 326 G HA2 0.072 4.032 3.960 -0.000 0.000 0.387 326 G HA3 0.072 4.032 3.960 -0.000 0.000 0.387 326 G C -0.335 174.556 174.900 -0.015 0.000 1.324 326 G CA -0.115 44.977 45.100 -0.012 0.000 0.878 326 G HN 2.025 nan 8.290 nan 0.000 0.527 327 N N -0.218 118.472 118.700 -0.016 0.000 2.354 327 N HA 0.488 5.228 4.740 -0.000 0.000 0.246 327 N C 1.063 176.551 175.510 -0.036 0.000 1.285 327 N CA -0.457 52.580 53.050 -0.023 0.000 0.925 327 N CB 0.440 38.917 38.487 -0.016 0.000 1.174 327 N HN 0.690 nan 8.380 nan 0.000 0.478 331 A N 0.944 123.750 122.820 -0.024 0.000 2.366 331 A HA 0.481 4.801 4.320 -0.000 0.000 0.249 331 A C -0.635 176.966 177.584 0.029 0.000 1.084 331 A CA -0.241 51.798 52.037 0.004 0.000 0.794 331 A CB 0.084 19.071 19.000 -0.022 0.000 1.034 331 A HN 0.336 nan 8.150 nan 0.000 0.491 332 W N 1.386 122.617 121.300 -0.116 0.000 2.190 332 W HA 0.455 5.115 4.660 -0.000 0.000 0.330 332 W C 0.680 177.108 176.519 -0.151 0.000 1.299 332 W CA 0.911 58.183 57.345 -0.122 0.000 1.215 332 W CB 0.660 30.047 29.460 -0.121 0.000 1.147 332 W HN 0.808 nan 8.180 nan 0.000 0.563 333 G N 2.429 110.813 108.800 -0.693 0.000 2.356 333 G HA2 0.599 4.559 3.960 -0.000 0.000 0.298 333 G HA3 0.599 4.559 3.960 -0.000 0.000 0.298 333 G C -0.587 173.802 174.900 -0.852 0.000 1.145 333 G CA -0.027 44.696 45.100 -0.628 0.000 0.850 333 G HN 1.058 nan 8.290 nan 0.000 0.487 334 G N 0.598 109.108 108.800 -0.483 0.000 2.378 334 G HA2 0.365 4.325 3.960 -0.000 0.000 0.302 334 G HA3 0.365 4.325 3.960 -0.000 0.000 0.302 334 G C -1.298 173.433 174.900 -0.281 0.000 1.669 334 G CA -0.882 43.992 45.100 -0.377 0.000 0.920 334 G HN 0.552 nan 8.290 nan 0.000 0.697 335 I N 1.598 121.972 120.570 -0.327 0.000 2.339 335 I HA 0.589 4.759 4.170 -0.000 0.000 0.290 335 I C 0.725 176.729 176.117 -0.188 0.000 0.994 335 I CA -0.992 60.091 61.300 -0.361 0.000 1.191 335 I CB 1.396 38.981 38.000 -0.691 0.000 1.343 335 I HN 0.780 nan 8.210 nan 0.000 0.458 336 A N 4.646 127.383 122.820 -0.138 0.000 2.478 336 A HA 0.654 4.974 4.320 -0.000 0.000 0.327 336 A C 0.816 178.506 177.584 0.176 0.000 1.431 336 A CA -0.149 51.826 52.037 -0.103 0.000 1.014 336 A CB -0.230 18.636 19.000 -0.223 0.000 1.143 336 A HN 0.961 nan 8.150 nan 0.000 0.532 337 G N 1.435 110.470 108.800 0.392 0.000 4.596 337 G HA2 0.202 4.162 3.960 -0.000 0.000 0.276 337 G HA3 0.202 4.162 3.960 -0.000 0.000 0.276 337 G C 0.861 175.970 174.900 0.348 0.000 1.013 337 G CA 0.165 45.582 45.100 0.528 0.000 0.778 337 G HN 0.583 nan 8.290 nan 0.000 0.389 338 L N -0.044 121.250 121.223 0.118 0.000 2.051 338 L HA -0.152 4.188 4.340 -0.000 0.000 0.214 338 L C 2.613 179.525 176.870 0.069 0.000 1.076 338 L CA 1.855 56.642 54.840 -0.089 0.000 0.758 338 L CB 0.089 41.731 42.059 -0.694 0.000 0.890 338 L HN 0.403 nan 8.230 nan 0.000 0.433 339 Q N -1.280 118.638 119.800 0.196 0.000 2.472 339 Q HA -0.079 4.261 4.340 -0.000 0.000 0.208 339 Q C 1.129 177.153 176.000 0.039 0.000 0.958 339 Q CA 0.910 56.738 55.803 0.041 0.000 0.932 339 Q CB 0.323 28.979 28.738 -0.138 0.000 1.007 339 Q HN 0.407 nan 8.270 nan 0.000 0.508 340 S N -0.635 115.110 115.700 0.075 0.000 2.593 340 S HA 0.164 4.634 4.470 -0.000 0.000 0.236 340 S C 0.181 174.726 174.600 -0.091 0.000 0.991 340 S CA -0.599 57.577 58.200 -0.041 0.000 0.963 340 S CB 0.285 63.371 63.200 -0.190 0.000 0.865 340 S HN 0.315 nan 8.310 nan 0.000 0.488 347 D N 1.157 121.680 120.400 0.205 0.000 2.084 347 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 347 D C 1.846 178.160 176.300 0.023 0.000 0.990 347 D CA 2.264 56.337 54.000 0.121 0.000 0.826 347 D CB 0.028 40.918 40.800 0.151 0.000 0.971 347 D HN 0.400 nan 8.370 nan 0.000 0.453 348 E N 0.207 120.466 120.200 0.098 0.000 2.028 348 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 348 E C 2.084 178.694 176.600 0.016 0.000 0.988 348 E CA 1.145 57.606 56.400 0.103 0.000 0.799 348 E CB -0.548 29.348 29.700 0.327 0.000 0.755 348 E HN 0.373 nan 8.360 nan 0.000 0.447 349 A N 0.960 123.883 122.820 0.173 0.000 1.840 349 A HA -0.073 4.247 4.320 -0.000 0.000 0.214 349 A C 2.609 180.185 177.584 -0.012 0.000 1.198 349 A CA 1.417 53.562 52.037 0.180 0.000 0.608 349 A CB -0.653 18.518 19.000 0.285 0.000 0.839 349 A HN 0.111 nan 8.150 nan 0.000 0.443 350 V N -0.147 119.620 119.914 -0.245 0.000 2.256 350 V HA -0.219 3.901 4.120 -0.000 0.000 0.240 350 V C 2.647 178.552 176.094 -0.316 0.000 1.036 350 V CA 1.972 64.029 62.300 -0.405 0.000 1.008 350 V CB -1.051 30.177 31.823 -0.991 0.000 0.648 350 V HN 0.589 nan 8.190 nan 0.000 0.453 351 Q N 0.022 119.611 119.800 -0.351 0.000 2.016 351 Q HA -0.198 4.142 4.340 -0.000 0.000 0.200 351 Q C 2.320 178.258 176.000 -0.103 0.000 0.978 351 Q CA 1.558 57.259 55.803 -0.171 0.000 0.833 351 Q CB -0.177 28.519 28.738 -0.070 0.000 0.895 351 Q HN 0.576 nan 8.270 nan 0.000 0.427 352 K N 0.198 120.539 120.400 -0.100 0.000 2.116 352 K HA -0.006 4.314 4.320 -0.000 0.000 0.203 352 K C 1.827 178.346 176.600 -0.136 0.000 1.052 352 K CA 0.721 56.947 56.287 -0.102 0.000 0.952 352 K CB 0.130 32.569 32.500 -0.102 0.000 0.729 352 K HN 0.013 nan 8.250 nan 0.000 0.446 353 R N 0.271 120.687 120.500 -0.140 0.000 2.362 353 R HA 0.133 4.473 4.340 -0.000 0.000 0.227 353 R C 0.325 176.630 176.300 0.008 0.000 0.905 353 R CA 0.213 56.237 56.100 -0.127 0.000 1.067 353 R CB 0.988 31.175 30.300 -0.189 0.000 1.078 353 R HN 0.259 nan 8.270 nan 0.000 0.516 357 L N 0.700 121.948 121.223 0.042 0.000 2.046 357 L HA 0.118 4.458 4.340 -0.000 0.000 0.208 357 L C -1.212 175.761 176.870 0.172 0.000 1.077 357 L CA 0.830 55.737 54.840 0.112 0.000 0.747 357 L CB -1.526 40.593 42.059 0.099 0.000 0.896 357 L HN 0.532 nan 8.230 nan 0.000 0.432 361 G N 1.511 110.340 108.800 0.048 0.000 2.440 361 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 361 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 361 G C 1.423 176.259 174.900 -0.106 0.000 1.154 361 G CA 1.364 46.443 45.100 -0.035 0.000 0.767 361 G HN 0.231 nan 8.290 nan 0.000 0.552 362 K N 0.057 120.416 120.400 -0.069 0.000 2.026 362 K HA 0.121 4.441 4.320 -0.000 0.000 0.208 362 K C 1.587 178.119 176.600 -0.114 0.000 1.048 362 K CA 0.201 56.447 56.287 -0.069 0.000 0.929 362 K CB -0.684 31.790 32.500 -0.043 0.000 0.713 362 K HN 0.324 nan 8.250 nan 0.000 0.439 366 T N 1.886 116.419 114.554 -0.035 0.000 2.684 366 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 366 T C 1.710 176.395 174.700 -0.024 0.000 1.036 366 T CA 1.864 63.952 62.100 -0.021 0.000 1.148 366 T CB -0.454 68.404 68.868 -0.016 0.000 0.863 366 T HN 0.447 nan 8.240 nan 0.000 0.436 367 N N 1.599 120.279 118.700 -0.033 0.000 2.084 367 N HA 0.007 4.747 4.740 -0.000 0.000 0.190 367 N C 2.193 177.682 175.510 -0.035 0.000 1.030 367 N CA 1.413 54.440 53.050 -0.038 0.000 0.849 367 N CB -0.807 37.658 38.487 -0.036 0.000 1.012 367 N HN 0.455 nan 8.380 nan 0.000 0.423 368 A N 1.038 123.865 122.820 0.012 0.000 1.883 368 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 368 A C 2.374 180.030 177.584 0.120 0.000 1.186 368 A CA 2.197 54.296 52.037 0.103 0.000 0.624 368 A CB -1.047 18.035 19.000 0.136 0.000 0.822 368 A HN 0.327 nan 8.150 nan 0.000 0.444 369 A N -0.096 122.759 122.820 0.059 0.000 1.908 369 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 369 A C 1.804 179.393 177.584 0.008 0.000 1.181 369 A CA 2.070 54.135 52.037 0.046 0.000 0.627 369 A CB -0.645 18.363 19.000 0.013 0.000 0.818 369 A HN 0.482 nan 8.150 nan 0.000 0.445 370 D N -0.179 120.201 120.400 -0.033 0.000 2.117 370 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 370 D C 1.852 178.070 176.300 -0.137 0.000 0.982 370 D CA 1.046 55.007 54.000 -0.064 0.000 0.828 370 D CB -0.345 40.419 40.800 -0.060 0.000 0.967 370 D HN 0.516 nan 8.370 nan 0.000 0.464 371 I N -0.252 120.171 120.570 -0.245 0.000 2.286 371 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 371 I C 1.109 176.820 176.117 -0.676 0.000 1.115 371 I CA 0.930 61.918 61.300 -0.519 0.000 1.392 371 I CB -0.072 37.447 38.000 -0.802 0.000 1.065 371 I HN -0.101 nan 8.210 nan 0.000 0.418 372 F N 0.492 120.389 119.950 -0.088 0.000 2.639 372 F HA 0.355 4.882 4.527 -0.000 0.000 0.300 372 F C 1.594 177.356 175.800 -0.063 0.000 1.109 372 F CA 0.023 57.971 58.000 -0.086 0.000 1.335 372 F CB -0.190 38.744 39.000 -0.110 0.000 1.014 372 F HN 0.086 nan 8.300 nan 0.000 0.537 373 G N 1.115 109.932 108.800 0.028 0.000 2.225 373 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.267 373 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.267 373 G C 0.270 175.185 174.900 0.024 0.000 1.024 373 G CA -0.096 45.015 45.100 0.018 0.000 0.784 373 G HN 0.382 nan 8.290 nan 0.000 0.507 374 L N 0.459 121.705 121.223 0.038 0.000 2.384 374 L HA 0.175 4.515 4.340 -0.000 0.000 0.258 374 L C 2.014 178.886 176.870 0.003 0.000 1.266 374 L CA -0.502 54.349 54.840 0.019 0.000 1.162 374 L CB 0.435 42.510 42.059 0.027 0.000 1.375 374 L HN 0.193 nan 8.230 nan 0.000 0.420 375 Q N 0.822 120.621 119.800 -0.001 0.000 2.173 375 Q HA -0.221 4.119 4.340 -0.000 0.000 0.208 375 Q C 1.441 177.436 176.000 -0.008 0.000 0.989 375 Q CA 1.683 57.484 55.803 -0.003 0.000 0.872 375 Q CB 0.268 29.006 28.738 -0.000 0.000 0.909 375 Q HN 0.664 nan 8.270 nan 0.000 0.420 376 Q N -0.267 119.525 119.800 -0.014 0.000 2.425 376 Q HA 0.065 4.405 4.340 -0.000 0.000 0.204 376 Q C 0.133 176.111 176.000 -0.037 0.000 0.933 376 Q CA 0.418 56.206 55.803 -0.024 0.000 0.939 376 Q CB 0.502 29.222 28.738 -0.030 0.000 1.044 376 Q HN -0.012 nan 8.270 nan 0.000 0.513 377 K N -1.024 119.358 120.400 -0.030 0.000 2.280 377 K HA 0.545 4.865 4.320 -0.000 0.000 0.234 377 K C 0.691 177.277 176.600 -0.023 0.000 1.028 377 K CA -0.066 56.199 56.287 -0.037 0.000 0.882 377 K CB 0.681 33.162 32.500 -0.032 0.000 1.194 377 K HN 0.057 nan 8.250 nan 0.000 0.458 378 G N 0.422 109.206 108.800 -0.026 0.000 2.186 378 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.266 378 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.266 378 G C -0.012 174.891 174.900 0.006 0.000 0.982 378 G CA 1.019 46.113 45.100 -0.011 0.000 0.670 378 G HN 0.389 nan 8.290 nan 0.000 0.533 379 R N -0.622 119.885 120.500 0.011 0.000 2.564 379 R HA 0.540 4.880 4.340 -0.000 0.000 0.284 379 R C -0.346 175.992 176.300 0.064 0.000 1.031 379 R CA -1.039 55.082 56.100 0.035 0.000 0.904 379 R CB 0.894 31.207 30.300 0.022 0.000 1.199 379 R HN 0.128 nan 8.270 nan 0.000 0.443 380 I N 4.080 124.715 120.570 0.108 0.000 2.278 380 I HA 0.377 4.547 4.170 -0.000 0.000 0.296 380 I C -0.107 176.071 176.117 0.101 0.000 1.121 380 I CA 0.053 61.452 61.300 0.165 0.000 1.267 380 I CB 0.979 39.107 38.000 0.213 0.000 1.447 380 I HN 0.609 nan 8.210 nan 0.000 0.509 381 A N 8.734 131.602 122.820 0.082 0.000 2.604 381 A HA 0.735 5.055 4.320 -0.000 0.000 0.295 381 A C -2.818 174.792 177.584 0.043 0.000 1.067 381 A CA -1.323 50.745 52.037 0.051 0.000 0.683 381 A CB 1.565 20.587 19.000 0.036 0.000 1.281 381 A HN 0.351 nan 8.150 nan 0.000 0.407 382 P HA 0.227 nan 4.420 nan 0.000 0.264 382 P C 1.013 178.329 177.300 0.025 0.000 1.183 382 P CA 2.030 65.147 63.100 0.027 0.000 0.763 382 P CB 0.674 32.389 31.700 0.025 0.000 0.807 383 G N 1.572 110.387 108.800 0.025 0.000 2.205 383 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.261 383 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.261 383 G C 0.189 175.094 174.900 0.009 0.000 0.980 383 G CA 0.319 45.431 45.100 0.020 0.000 0.632 383 G HN 0.552 nan 8.290 nan 0.000 0.533 384 K N 1.124 121.528 120.400 0.006 0.000 2.090 384 K HA 0.547 4.867 4.320 -0.000 0.000 0.250 384 K C 0.080 176.654 176.600 -0.043 0.000 1.004 384 K CA -0.642 55.636 56.287 -0.014 0.000 0.919 384 K CB 0.373 32.867 32.500 -0.009 0.000 1.045 384 K HN 0.124 nan 8.250 nan 0.000 0.471 385 D N 0.820 121.174 120.400 -0.076 0.000 2.455 385 D HA 0.072 4.712 4.640 -0.000 0.000 0.241 385 D C -0.367 175.791 176.300 -0.237 0.000 1.138 385 D CA 0.292 54.219 54.000 -0.122 0.000 0.877 385 D CB 0.632 41.355 40.800 -0.127 0.000 1.187 385 D HN 0.493 nan 8.370 nan 0.000 0.451 386 A N 3.004 125.663 122.820 -0.268 0.000 3.026 386 A HA 0.120 4.440 4.320 -0.000 0.000 0.272 386 A C -0.508 176.489 177.584 -0.978 0.000 1.782 386 A CA -0.285 51.421 52.037 -0.552 0.000 1.451 386 A CB -0.361 18.566 19.000 -0.121 0.000 1.081 386 A HN 0.267 nan 8.150 nan 0.000 0.611 387 D N 1.150 120.913 120.400 -1.062 0.000 2.392 387 D HA 0.637 5.277 4.640 -0.000 0.000 0.228 387 D C -0.547 175.297 176.300 -0.760 0.000 1.074 387 D CA 0.349 53.925 54.000 -0.708 0.000 0.838 387 D CB 0.774 41.379 40.800 -0.326 0.000 1.067 387 D HN 0.299 nan 8.370 nan 0.000 0.511 388 F N 0.314 120.275 119.950 0.018 0.000 2.629 388 F HA 0.617 5.144 4.527 -0.000 0.000 0.316 388 F C -0.320 175.505 175.800 0.043 0.000 1.081 388 F CA -1.394 56.647 58.000 0.069 0.000 0.954 388 F CB 1.487 40.582 39.000 0.158 0.000 1.337 388 F HN -0.001 nan 8.300 nan 0.000 0.474 389 V N 2.198 122.320 119.914 0.347 0.000 2.638 389 V HA 0.613 4.733 4.120 -0.000 0.000 0.306 389 V C -1.726 174.611 176.094 0.404 0.000 1.052 389 V CA -0.654 61.788 62.300 0.236 0.000 0.885 389 V CB 1.531 33.452 31.823 0.163 0.000 0.999 389 V HN 0.535 nan 8.190 nan 0.000 0.424 390 F N 6.797 126.767 119.950 0.034 0.000 2.410 390 F HA 0.627 5.154 4.527 -0.000 0.000 0.349 390 F C 0.333 176.086 175.800 -0.079 0.000 1.117 390 F CA -1.335 56.646 58.000 -0.032 0.000 1.104 390 F CB 1.258 40.232 39.000 -0.044 0.000 1.122 390 F HN 0.290 nan 8.300 nan 0.000 0.483 391 I N 2.861 123.431 120.570 0.000 0.000 2.465 391 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 391 I C -0.543 175.434 176.117 -0.234 0.000 1.014 391 I CA -1.122 60.059 61.300 -0.198 0.000 1.093 391 I CB 2.025 39.717 38.000 -0.513 0.000 1.267 391 I HN 0.340 nan 8.210 nan 0.000 0.431 392 Q N 9.261 128.954 119.800 -0.178 0.000 2.390 392 Q HA 0.386 4.726 4.340 -0.000 0.000 0.249 392 Q C -2.473 173.446 176.000 -0.135 0.000 0.996 392 Q CA -2.082 53.645 55.803 -0.127 0.000 0.899 392 Q CB 0.945 29.643 28.738 -0.067 0.000 1.216 392 Q HN 0.222 nan 8.270 nan 0.000 0.465 393 P HA 0.010 nan 4.420 nan 0.000 0.272 393 P C -0.754 176.575 177.300 0.049 0.000 1.230 393 P CA -0.025 63.083 63.100 0.013 0.000 0.788 393 P CB 0.478 32.243 31.700 0.108 0.000 0.949 394 N N -1.447 117.311 118.700 0.097 0.000 2.686 394 N HA -0.188 4.552 4.740 -0.000 0.000 0.261 394 N C -0.441 175.101 175.510 0.053 0.000 1.001 394 N CA 1.074 54.166 53.050 0.070 0.000 0.764 394 N CB -1.729 36.788 38.487 0.051 0.000 0.898 394 N HN 0.481 nan 8.380 nan 0.000 0.544 395 S N -0.508 115.232 115.700 0.066 0.000 2.673 395 S HA 0.428 4.898 4.470 -0.000 0.000 0.256 395 S C -0.084 174.588 174.600 0.121 0.000 1.141 395 S CA -0.304 57.934 58.200 0.064 0.000 1.109 395 S CB 0.595 63.813 63.200 0.031 0.000 1.101 395 S HN 0.376 nan 8.310 nan 0.000 0.471 396 S N 3.516 119.293 115.700 0.129 0.000 2.713 396 S HA 0.948 5.418 4.470 -0.000 0.000 0.283 396 S C -0.646 174.119 174.600 0.274 0.000 1.161 396 S CA -0.524 57.784 58.200 0.180 0.000 0.999 396 S CB 1.043 64.297 63.200 0.091 0.000 1.039 396 S HN 1.377 nan 8.310 nan 0.000 0.548 397 Y N -2.762 117.557 120.300 0.032 0.000 2.741 397 Y HA 0.676 5.226 4.550 -0.000 0.000 0.339 397 Y C -2.109 173.815 175.900 0.041 0.000 1.226 397 Y CA -1.583 56.537 58.100 0.032 0.000 1.072 397 Y CB 0.399 38.876 38.460 0.028 0.000 1.331 397 Y HN 0.509 nan 8.280 nan 0.000 0.453 398 V N 3.187 123.066 119.914 -0.058 0.000 2.417 398 V HA 0.378 4.498 4.120 -0.000 0.000 0.291 398 V C -0.439 175.617 176.094 -0.065 0.000 1.024 398 V CA -0.748 61.462 62.300 -0.150 0.000 0.861 398 V CB 1.306 33.120 31.823 -0.015 0.000 0.985 398 V HN 0.786 nan 8.190 nan 0.000 0.436 399 L N 5.471 126.596 121.223 -0.165 0.000 2.455 399 L HA 0.393 4.733 4.340 -0.000 0.000 0.272 399 L C 0.363 177.292 176.870 0.098 0.000 1.174 399 L CA 1.388 56.261 54.840 0.054 0.000 0.869 399 L CB 0.756 42.846 42.059 0.051 0.000 1.130 399 L HN 0.790 nan 8.230 nan 0.000 0.474 400 T N 4.534 119.168 114.554 0.134 0.000 2.908 400 T HA 0.316 4.666 4.350 -0.000 0.000 0.290 400 T C 1.157 175.913 174.700 0.093 0.000 1.034 400 T CA -0.565 61.596 62.100 0.102 0.000 1.010 400 T CB 1.366 70.292 68.868 0.098 0.000 1.068 400 T HN 0.619 nan 8.240 nan 0.000 0.481 401 N N 1.500 120.250 118.700 0.083 0.000 2.137 401 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 401 N C 1.293 176.841 175.510 0.062 0.000 1.017 401 N CA 1.496 54.595 53.050 0.081 0.000 0.859 401 N CB -0.084 38.450 38.487 0.078 0.000 1.002 401 N HN 0.659 nan 8.380 nan 0.000 0.428 402 D N 0.896 121.331 120.400 0.059 0.000 2.182 402 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 402 D C 1.116 177.441 176.300 0.041 0.000 0.986 402 D CA 0.933 54.962 54.000 0.048 0.000 0.847 402 D CB 0.057 40.886 40.800 0.049 0.000 0.942 402 D HN 0.153 nan 8.370 nan 0.000 0.467 403 D N -0.301 120.128 120.400 0.049 0.000 2.219 403 D HA -0.049 4.591 4.640 -0.000 0.000 0.205 403 D C 0.557 176.841 176.300 -0.026 0.000 0.970 403 D CA 0.252 54.274 54.000 0.036 0.000 0.851 403 D CB -0.037 40.813 40.800 0.083 0.000 0.943 403 D HN 0.324 nan 8.370 nan 0.000 0.488 404 L N 1.506 122.689 121.223 -0.066 0.000 2.485 404 L HA 0.021 4.361 4.340 -0.000 0.000 0.275 404 L C 1.402 178.154 176.870 -0.198 0.000 1.207 404 L CA 0.125 54.819 54.840 -0.243 0.000 0.855 404 L CB 0.612 42.536 42.059 -0.226 0.000 1.114 404 L HN -0.209 nan 8.230 nan 0.000 0.485 405 E N 1.380 121.396 120.200 -0.308 0.000 2.481 405 E HA 0.080 4.430 4.350 -0.000 0.000 0.198 405 E C -0.418 176.158 176.600 -0.040 0.000 1.027 405 E CA -0.080 56.246 56.400 -0.124 0.000 0.900 405 E CB 0.203 29.868 29.700 -0.059 0.000 0.993 405 E HN 0.366 nan 8.360 nan 0.000 0.482 406 Y N 1.063 121.393 120.300 0.050 0.000 2.426 406 Y HA 0.001 4.551 4.550 -0.000 0.000 0.344 406 Y C 1.983 177.891 175.900 0.012 0.000 1.256 406 Y CA -0.402 57.739 58.100 0.069 0.000 1.451 406 Y CB 0.188 38.735 38.460 0.145 0.000 1.342 406 Y HN -0.082 nan 8.280 nan 0.000 0.600 407 R N 0.469 121.067 120.500 0.164 0.000 2.094 407 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 407 R C -0.277 175.902 176.300 -0.202 0.000 1.137 407 R CA 1.875 57.939 56.100 -0.060 0.000 0.943 407 R CB -0.384 29.862 30.300 -0.089 0.000 0.850 407 R HN 0.655 nan 8.270 nan 0.000 0.433 408 H N 0.519 119.664 119.070 0.126 0.000 2.551 408 H HA 0.214 4.770 4.556 -0.000 0.000 0.321 408 H C -0.537 174.898 175.328 0.178 0.000 1.028 408 H CA -0.815 55.294 56.048 0.102 0.000 1.215 408 H CB 1.609 31.400 29.762 0.047 0.000 1.414 408 H HN 0.001 nan 8.280 nan 0.000 0.480 409 K N 2.479 123.012 120.400 0.221 0.000 2.146 409 K HA 0.179 4.499 4.320 -0.000 0.000 0.220 409 K C -0.509 176.214 176.600 0.206 0.000 1.227 409 K CA 0.004 56.409 56.287 0.196 0.000 1.185 409 K CB -0.256 32.308 32.500 0.107 0.000 1.333 409 K HN 0.190 nan 8.250 nan 0.000 0.242 410 V N -0.060 120.022 119.914 0.280 0.000 2.971 410 V HA 0.713 4.833 4.120 -0.000 0.000 0.309 410 V C -1.493 174.750 176.094 0.248 0.000 1.130 410 V CA -0.462 61.960 62.300 0.204 0.000 0.964 410 V CB 2.413 34.314 31.823 0.129 0.000 1.029 410 V HN 0.403 nan 8.190 nan 0.000 0.427 411 S N 5.275 121.077 115.700 0.172 0.000 2.556 411 S HA 0.530 5.000 4.470 -0.000 0.000 0.280 411 S C -2.681 171.930 174.600 0.019 0.000 1.141 411 S CA -0.351 57.940 58.200 0.151 0.000 0.883 411 S CB 2.404 65.816 63.200 0.353 0.000 1.103 411 S HN 0.633 nan 8.310 nan 0.000 0.453 412 P HA 0.037 nan 4.420 nan 0.000 0.239 412 P C 0.409 177.548 177.300 -0.268 0.000 1.184 412 P CA 0.650 63.601 63.100 -0.247 0.000 0.760 412 P CB -0.187 31.273 31.700 -0.401 0.000 0.884 413 Y N -0.651 119.692 120.300 0.072 0.000 2.500 413 Y HA 0.072 4.622 4.550 -0.000 0.000 0.270 413 Y C 1.523 177.455 175.900 0.054 0.000 1.134 413 Y CA -0.624 57.517 58.100 0.069 0.000 1.293 413 Y CB -0.718 37.798 38.460 0.094 0.000 1.063 413 Y HN -0.302 nan 8.280 nan 0.000 0.534 414 V N 0.693 120.706 119.914 0.166 0.000 2.694 414 V HA 0.213 4.333 4.120 -0.000 0.000 0.306 414 V C 1.331 177.475 176.094 0.083 0.000 1.054 414 V CA 1.461 63.833 62.300 0.119 0.000 1.161 414 V CB 0.222 32.106 31.823 0.101 0.000 0.916 414 V HN 0.692 nan 8.190 nan 0.000 0.490 415 G N 4.062 112.899 108.800 0.062 0.000 2.195 415 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.246 415 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.246 415 G C 0.373 175.291 174.900 0.030 0.000 0.984 415 G CA 0.302 45.428 45.100 0.043 0.000 0.633 415 G HN 0.702 nan 8.290 nan 0.000 0.525 416 R N 0.982 121.503 120.500 0.034 0.000 2.390 416 R HA 0.529 4.869 4.340 -0.000 0.000 0.291 416 R C -0.137 176.110 176.300 -0.088 0.000 1.070 416 R CA 0.193 56.304 56.100 0.018 0.000 1.014 416 R CB 0.445 30.801 30.300 0.092 0.000 1.007 416 R HN 0.080 nan 8.270 nan 0.000 0.466 417 T N 5.647 120.161 114.554 -0.068 0.000 2.729 417 T HA 0.322 4.672 4.350 -0.000 0.000 0.296 417 T C 0.005 174.624 174.700 -0.135 0.000 0.928 417 T CA -0.120 61.911 62.100 -0.116 0.000 1.045 417 T CB 0.126 68.970 68.868 -0.039 0.000 0.902 417 T HN 0.382 nan 8.240 nan 0.000 0.500 418 I N 2.469 122.868 120.570 -0.285 0.000 2.378 418 I HA 0.359 4.529 4.170 -0.000 0.000 0.291 418 I C 1.365 177.472 176.117 -0.017 0.000 0.992 418 I CA -0.744 60.454 61.300 -0.170 0.000 1.154 418 I CB 1.729 39.556 38.000 -0.289 0.000 1.315 418 I HN 0.740 nan 8.210 nan 0.000 0.448 419 G N 4.754 113.593 108.800 0.065 0.000 3.210 419 G HA2 0.487 4.447 3.960 -0.000 0.000 0.220 419 G HA3 0.487 4.447 3.960 -0.000 0.000 0.220 419 G C 0.298 175.288 174.900 0.150 0.000 1.200 419 G CA 0.289 45.452 45.100 0.105 0.000 0.834 419 G HN 0.694 nan 8.290 nan 0.000 0.524 420 A N -0.133 122.798 122.820 0.185 0.000 2.604 420 A HA 0.856 5.176 4.320 -0.000 0.000 0.295 420 A C -0.815 176.847 177.584 0.131 0.000 1.067 420 A CA -0.950 51.159 52.037 0.120 0.000 0.683 420 A CB 1.517 20.574 19.000 0.095 0.000 1.281 420 A HN 0.239 nan 8.150 nan 0.000 0.407 421 R N 0.397 120.904 120.500 0.012 0.000 2.686 421 R HA 0.611 4.951 4.340 -0.000 0.000 0.283 421 R C -1.164 175.100 176.300 -0.061 0.000 0.978 421 R CA -0.629 55.452 56.100 -0.031 0.000 0.897 421 R CB 2.151 32.385 30.300 -0.110 0.000 1.192 421 R HN 0.636 nan 8.270 nan 0.000 0.457 422 I N 1.832 122.381 120.570 -0.035 0.000 2.396 422 I HA 0.032 4.202 4.170 -0.000 0.000 0.289 422 I C 0.845 177.000 176.117 0.064 0.000 1.056 422 I CA 0.268 61.581 61.300 0.022 0.000 1.365 422 I CB 1.440 39.461 38.000 0.034 0.000 1.407 422 I HN 0.738 nan 8.210 nan 0.000 0.509 423 T N 4.586 119.174 114.554 0.057 0.000 2.983 423 T HA 0.113 4.463 4.350 -0.000 0.000 0.250 423 T C 0.397 175.056 174.700 -0.068 0.000 1.037 423 T CA 0.846 62.953 62.100 0.012 0.000 1.142 423 T CB 0.167 69.071 68.868 0.060 0.000 0.876 423 T HN 0.334 nan 8.240 nan 0.000 0.455 424 K N 0.569 120.944 120.400 -0.042 0.000 2.527 424 K HA 0.570 4.890 4.320 -0.000 0.000 0.260 424 K C -1.465 175.041 176.600 -0.157 0.000 0.937 424 K CA -0.376 55.772 56.287 -0.232 0.000 0.826 424 K CB 2.411 34.574 32.500 -0.563 0.000 1.359 424 K HN -0.122 nan 8.250 nan 0.000 0.434 425 T N 2.136 116.638 114.554 -0.086 0.000 2.841 425 T HA 0.628 4.978 4.350 -0.000 0.000 0.285 425 T C -0.650 173.996 174.700 -0.090 0.000 0.991 425 T CA -0.552 61.529 62.100 -0.033 0.000 0.966 425 T CB 0.504 69.410 68.868 0.064 0.000 0.962 425 T HN 0.321 nan 8.240 nan 0.000 0.438 426 I N 3.546 124.068 120.570 -0.080 0.000 2.436 426 I HA 0.486 4.656 4.170 -0.000 0.000 0.289 426 I C -1.154 174.912 176.117 -0.085 0.000 1.010 426 I CA -1.002 60.260 61.300 -0.064 0.000 1.098 426 I CB 1.976 39.983 38.000 0.013 0.000 1.266 426 I HN 0.333 nan 8.210 nan 0.000 0.434 427 L N 6.761 127.936 121.223 -0.080 0.000 2.325 427 L HA 0.548 4.888 4.340 -0.000 0.000 0.281 427 L C 0.348 177.156 176.870 -0.103 0.000 1.004 427 L CA -0.258 54.519 54.840 -0.105 0.000 0.823 427 L CB 0.909 42.927 42.059 -0.068 0.000 1.236 427 L HN 0.547 nan 8.230 nan 0.000 0.415 428 R N 4.359 124.773 120.500 -0.144 0.000 3.333 428 R HA -0.166 4.174 4.340 -0.000 0.000 0.256 428 R C 1.015 177.279 176.300 -0.060 0.000 1.010 428 R CA 1.088 57.125 56.100 -0.106 0.000 0.680 428 R CB -1.626 28.629 30.300 -0.074 0.000 1.102 428 R HN 1.373 nan 8.270 nan 0.000 0.440 429 G N -1.507 107.262 108.800 -0.050 0.000 2.179 429 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 429 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 429 G C -0.267 174.646 174.900 0.022 0.000 0.977 429 G CA 0.372 45.489 45.100 0.029 0.000 0.641 429 G HN 0.489 nan 8.290 nan 0.000 0.533 430 D N 0.057 120.452 120.400 -0.009 0.000 2.362 430 D HA 0.487 5.127 4.640 -0.000 0.000 0.247 430 D C 0.313 176.592 176.300 -0.035 0.000 1.050 430 D CA -0.430 53.560 54.000 -0.016 0.000 0.839 430 D CB 2.210 43.001 40.800 -0.015 0.000 1.283 430 D HN 0.048 nan 8.370 nan 0.000 0.477 431 V N 3.294 123.176 119.914 -0.053 0.000 2.446 431 V HA 0.034 4.154 4.120 -0.000 0.000 0.276 431 V C 1.596 177.655 176.094 -0.058 0.000 1.030 431 V CA 0.182 62.426 62.300 -0.093 0.000 1.033 431 V CB 0.225 31.969 31.823 -0.132 0.000 0.993 431 V HN 0.486 nan 8.190 nan 0.000 0.477 432 I N 2.319 122.871 120.570 -0.030 0.000 4.070 432 I HA 0.399 4.569 4.170 -0.000 0.000 0.328 432 I C 0.195 176.348 176.117 0.060 0.000 1.298 432 I CA 0.170 61.496 61.300 0.042 0.000 1.173 432 I CB 0.343 38.388 38.000 0.075 0.000 1.051 432 I HN 0.499 nan 8.210 nan 0.000 0.409 433 Y N 1.731 121.915 120.300 -0.193 0.000 2.441 433 Y HA 0.597 5.147 4.550 -0.000 0.000 0.334 433 Y C -2.153 173.563 175.900 -0.308 0.000 1.061 433 Y CA -1.441 56.436 58.100 -0.373 0.000 1.032 433 Y CB 1.508 39.725 38.460 -0.405 0.000 1.266 433 Y HN 0.073 nan 8.280 nan 0.000 0.441 434 D N 6.015 125.639 120.400 -1.294 0.000 2.863 434 D HA 0.161 4.801 4.640 -0.000 0.000 0.245 434 D C 0.409 176.020 176.300 -1.148 0.000 1.211 434 D CA -0.399 53.035 54.000 -0.943 0.000 0.888 434 D CB 1.849 42.357 40.800 -0.486 0.000 1.483 434 D HN 0.870 nan 8.370 nan 0.000 0.533 435 I N 2.754 122.837 120.570 -0.811 0.000 2.657 435 I HA -0.194 3.976 4.170 -0.000 0.000 0.261 435 I C 1.039 176.979 176.117 -0.296 0.000 1.212 435 I CA 1.352 62.379 61.300 -0.455 0.000 1.453 435 I CB 0.351 38.236 38.000 -0.192 0.000 1.092 435 I HN 0.431 nan 8.210 nan 0.000 0.452 436 E N -0.897 119.130 120.200 -0.288 0.000 2.372 436 E HA -0.027 4.323 4.350 -0.000 0.000 0.201 436 E C 1.617 178.116 176.600 -0.168 0.000 0.938 436 E CA 0.042 56.333 56.400 -0.181 0.000 0.944 436 E CB 0.317 29.936 29.700 -0.134 0.000 0.937 436 E HN 0.402 nan 8.360 nan 0.000 0.495 437 Q N -0.302 119.363 119.800 -0.225 0.000 2.378 437 Q HA 0.185 4.525 4.340 -0.000 0.000 0.229 437 Q C 1.013 176.913 176.000 -0.166 0.000 0.882 437 Q CA 0.830 56.534 55.803 -0.165 0.000 0.936 437 Q CB 1.704 30.353 28.738 -0.149 0.000 1.092 437 Q HN 0.282 nan 8.270 nan 0.000 0.535 438 G N 1.096 109.712 108.800 -0.307 0.000 2.545 438 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.240 438 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.240 438 G C -0.800 173.866 174.900 -0.390 0.000 1.172 438 G CA -0.378 44.563 45.100 -0.264 0.000 0.949 438 G HN 0.170 nan 8.290 nan 0.000 0.574 439 F N 3.495 123.458 119.950 0.023 0.000 2.300 439 F HA 0.442 4.969 4.527 -0.000 0.000 0.364 439 F C -0.320 175.476 175.800 -0.007 0.000 1.090 439 F CA -1.096 56.927 58.000 0.038 0.000 1.200 439 F CB 1.428 40.464 39.000 0.060 0.000 1.493 439 F HN 0.281 nan 8.300 nan 0.000 0.518 440 P HA -0.121 nan 4.420 nan 0.000 0.216 440 P C 0.438 177.762 177.300 0.040 0.000 1.150 440 P CA 1.187 64.302 63.100 0.024 0.000 0.837 440 P CB 0.244 31.923 31.700 -0.035 0.000 0.786 441 V N -3.687 116.260 119.914 0.054 0.000 2.975 441 V HA 0.823 4.943 4.120 -0.000 0.000 0.318 441 V C 0.061 176.182 176.094 0.045 0.000 1.077 441 V CA -1.360 60.962 62.300 0.037 0.000 1.000 441 V CB 1.016 32.852 31.823 0.020 0.000 1.066 441 V HN 0.183 nan 8.190 nan 0.000 0.452 442 A N 2.675 125.508 122.820 0.021 0.000 2.425 442 A HA 0.599 4.919 4.320 -0.000 0.000 0.242 442 A C -2.139 175.447 177.584 0.004 0.000 1.077 442 A CA -1.103 50.940 52.037 0.009 0.000 0.781 442 A CB -1.008 17.992 19.000 -0.001 0.000 1.020 442 A HN 0.894 nan 8.150 nan 0.000 0.494 443 P HA 0.033 nan 4.420 nan 0.000 0.260 443 P C -0.064 177.214 177.300 -0.036 0.000 1.172 443 P CA 0.747 63.832 63.100 -0.024 0.000 0.760 443 P CB 0.292 31.965 31.700 -0.045 0.000 0.773 444 K N 1.587 121.964 120.400 -0.038 0.000 2.501 444 K HA 0.316 4.636 4.320 -0.000 0.000 0.204 444 K C 0.695 177.249 176.600 -0.077 0.000 1.067 444 K CA -0.382 55.875 56.287 -0.050 0.000 1.060 444 K CB -0.001 32.480 32.500 -0.032 0.000 0.873 444 K HN 0.319 nan 8.250 nan 0.000 0.540 445 G N 0.759 109.497 108.800 -0.103 0.000 2.527 445 G HA2 0.384 4.344 3.960 -0.000 0.000 0.248 445 G HA3 0.384 4.344 3.960 -0.000 0.000 0.248 445 G C -0.949 173.823 174.900 -0.214 0.000 1.231 445 G CA -0.367 44.645 45.100 -0.147 0.000 0.838 445 G HN 0.340 nan 8.290 nan 0.000 0.570 446 Q N -0.410 119.255 119.800 -0.225 0.000 2.451 446 Q HA 0.471 4.811 4.340 -0.000 0.000 0.281 446 Q C -1.250 174.571 176.000 -0.299 0.000 1.099 446 Q CA -0.790 54.865 55.803 -0.247 0.000 0.806 446 Q CB 2.331 30.992 28.738 -0.128 0.000 1.419 446 Q HN 0.476 nan 8.270 nan 0.000 0.427 447 F N 0.922 120.758 119.950 -0.191 0.000 2.410 447 F HA 0.333 4.860 4.527 -0.000 0.000 0.334 447 F C 0.271 175.965 175.800 -0.176 0.000 1.134 447 F CA -0.113 57.768 58.000 -0.199 0.000 1.227 447 F CB 0.559 39.321 39.000 -0.397 0.000 1.194 447 F HN 0.241 nan 8.300 nan 0.000 0.571 448 I N 4.250 124.870 120.570 0.084 0.000 2.389 448 I HA 0.351 4.521 4.170 -0.000 0.000 0.288 448 I C -1.020 175.092 176.117 -0.010 0.000 0.999 448 I CA -0.470 60.832 61.300 0.003 0.000 1.129 448 I CB 1.396 39.386 38.000 -0.016 0.000 1.288 448 I HN 0.277 nan 8.210 nan 0.000 0.444 449 L N 6.214 127.398 121.223 -0.065 0.000 2.362 449 L HA 0.527 4.867 4.340 -0.000 0.000 0.275 449 L C -0.421 176.278 176.870 -0.284 0.000 0.998 449 L CA -0.797 53.962 54.840 -0.134 0.000 0.820 449 L CB 1.980 43.985 42.059 -0.091 0.000 1.270 449 L HN 0.428 nan 8.230 nan 0.000 0.415 450 K N 1.455 121.637 120.400 -0.364 0.000 2.168 450 K HA 0.689 5.009 4.320 -0.000 0.000 0.239 450 K C -0.833 175.342 176.600 -0.709 0.000 0.999 450 K CA -0.604 55.457 56.287 -0.377 0.000 0.900 450 K CB 1.039 33.451 32.500 -0.146 0.000 1.111 450 K HN 0.405 nan 8.250 nan 0.000 0.452 451 H N 0.000 119.083 119.070 0.021 0.000 2.539 451 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 451 H CA 0.000 56.062 56.048 0.022 0.000 1.023 451 H CB 0.000 29.773 29.762 0.018 0.000 1.292 451 H HN 0.000 nan 8.280 nan 0.000 0.496