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 3euj_1_A DATA FIRST_RESID 32 DATA SEQUENCE MIARGKFRSL TLINWNGFFA RTFDFDELVT TLSGGNGAGK STTMAGFVTA DATA SEQUENCE LIPDLTLLNF RNTTEAGSTS SSRDKGLYGK LKAGVCYAVL ETVNSRAQRI DATA SEQUENCE ITGVRLQQIA GRDKKVDIRP FSLQNVPMTD SVISLFTEQV ANKARVLSLN DATA SEQUENCE DLKEKFEETA VTFKPYHSIT DYHSFMFDLG ILPKRLRSSS DRNKFYKLIE DATA SEQUENCE ASLYGGISSV ITKSLRDYLL PENSGVRQAF QDXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXAESVANI LRKTIQREQN DATA SEQUENCE RILQLNQGLQ NIAFGQVKGV RLVVNIRDTH SILLNALSDQ XXXXXXXXXX DATA SEQUENCE XXXSFSEALA MLYKRIXXXX XXXXXXXXXX GEELLDYRNY LDLEVETLRG DATA SEQUENCE AYGWMRAESS ALSTGEAIGT GMSILLMVVQ SWEEESRRMR AKDILPCRLL DATA SEQUENCE FLDQAARLDA MSINTLFELC ERLDMQLLIA APENISPERG TTYKLVRKIL DATA SEQUENCE ANQEYVHVVG LKGFG 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 32 M HA 0.000 nan 4.480 nan 0.000 0.227 32 M C 0.000 176.292 176.300 -0.014 0.000 1.140 32 M CA 0.000 55.294 55.300 -0.011 0.000 0.988 32 M CB 0.000 32.595 32.600 -0.009 0.000 1.302 33 I N 2.912 123.472 120.570 -0.016 0.000 2.710 33 I HA 0.368 4.539 4.170 0.001 0.000 0.286 33 I C 0.924 177.028 176.117 -0.021 0.000 1.181 33 I CA -0.187 61.100 61.300 -0.021 0.000 1.430 33 I CB 0.814 38.799 38.000 -0.025 0.000 1.367 33 I HN 0.743 nan 8.210 nan 0.000 0.577 34 A N 7.197 130.002 122.820 -0.024 0.000 2.363 34 A HA 0.435 4.755 4.320 0.001 0.000 0.270 34 A C 0.175 177.741 177.584 -0.031 0.000 1.121 34 A CA -0.482 51.540 52.037 -0.024 0.000 0.800 34 A CB 0.530 19.516 19.000 -0.023 0.000 1.052 34 A HN 0.840 nan 8.150 nan 0.000 0.493 35 R N 1.693 122.176 120.500 -0.028 0.000 2.532 35 R HA 0.479 4.819 4.340 0.001 0.000 0.272 35 R C 0.508 176.780 176.300 -0.048 0.000 1.032 35 R CA 0.014 56.092 56.100 -0.036 0.000 1.089 35 R CB 0.931 31.216 30.300 -0.024 0.000 1.098 35 R HN 0.836 nan 8.270 nan 0.000 0.526 36 G N 2.802 111.559 108.800 -0.072 0.000 2.406 36 G HA2 0.188 4.148 3.960 0.001 0.000 0.251 36 G HA3 0.188 4.148 3.960 0.001 0.000 0.251 36 G C -0.772 174.064 174.900 -0.106 0.000 1.271 36 G CA -0.296 44.739 45.100 -0.109 0.000 0.859 36 G HN 0.386 nan 8.290 nan 0.000 0.540 37 K N 0.913 121.252 120.400 -0.101 0.000 2.395 37 K HA 0.418 4.738 4.320 0.001 0.000 0.247 37 K C -1.170 175.393 176.600 -0.063 0.000 0.973 37 K CA -0.770 55.499 56.287 -0.030 0.000 0.828 37 K CB 2.178 34.703 32.500 0.043 0.000 1.272 37 K HN 0.387 nan 8.250 nan 0.000 0.439 38 F N 1.629 121.650 119.950 0.118 0.000 2.404 38 F HA 0.298 4.826 4.527 0.000 0.000 0.345 38 F C 1.768 177.751 175.800 0.305 0.000 1.110 38 F CA -0.238 57.891 58.000 0.214 0.000 1.130 38 F CB 1.034 40.196 39.000 0.269 0.000 1.129 38 F HN 0.231 nan 8.300 nan 0.000 0.500 39 R N 0.753 121.499 120.500 0.410 0.000 2.195 39 R HA 0.188 4.528 4.340 0.001 0.000 0.197 39 R C -0.201 176.215 176.300 0.194 0.000 0.990 39 R CA 0.475 56.743 56.100 0.279 0.000 1.048 39 R CB 0.156 30.543 30.300 0.145 0.000 0.997 39 R HN 0.665 nan 8.270 nan 0.000 0.502 40 S N -0.631 115.166 115.700 0.162 0.000 2.567 40 S HA 0.487 4.958 4.470 0.001 0.000 0.270 40 S C -1.555 172.968 174.600 -0.127 0.000 1.152 40 S CA -0.996 57.125 58.200 -0.132 0.000 0.835 40 S CB 1.581 64.752 63.200 -0.049 0.000 1.115 40 S HN -0.006 nan 8.310 nan 0.000 0.459 41 L N 1.595 122.641 121.223 -0.293 0.000 2.376 41 L HA 0.800 5.140 4.340 0.001 0.000 0.275 41 L C -0.992 175.834 176.870 -0.074 0.000 0.987 41 L CA 0.262 55.018 54.840 -0.140 0.000 0.828 41 L CB 1.973 43.984 42.059 -0.081 0.000 1.249 41 L HN 0.969 nan 8.230 nan 0.000 0.409 42 T N 6.032 120.539 114.554 -0.078 0.000 2.840 42 T HA 0.586 4.936 4.350 0.001 0.000 0.287 42 T C -0.490 174.126 174.700 -0.140 0.000 0.991 42 T CA -0.330 61.726 62.100 -0.074 0.000 0.964 42 T CB 0.998 69.858 68.868 -0.013 0.000 0.954 42 T HN 0.385 nan 8.240 nan 0.000 0.438 43 L N 4.126 125.231 121.223 -0.196 0.000 2.295 43 L HA 0.641 4.981 4.340 0.001 0.000 0.285 43 L C -0.426 176.464 176.870 0.033 0.000 1.035 43 L CA -0.834 53.825 54.840 -0.302 0.000 0.806 43 L CB 1.130 42.829 42.059 -0.599 0.000 1.214 43 L HN 0.529 nan 8.230 nan 0.000 0.426 44 I N 3.296 124.010 120.570 0.241 0.000 2.418 44 I HA 0.321 4.492 4.170 0.001 0.000 0.287 44 I C 0.287 176.636 176.117 0.386 0.000 1.008 44 I CA -0.457 60.989 61.300 0.244 0.000 1.104 44 I CB 1.574 39.697 38.000 0.205 0.000 1.264 44 I HN 0.750 nan 8.210 nan 0.000 0.438 45 N N 3.467 122.381 118.700 0.357 0.000 2.909 45 N HA -0.212 4.528 4.740 0.001 0.000 0.242 45 N C -0.713 175.010 175.510 0.356 0.000 0.975 45 N CA 0.693 53.995 53.050 0.421 0.000 0.921 45 N CB -0.657 38.008 38.487 0.296 0.000 1.112 45 N HN 0.596 nan 8.380 nan 0.000 0.581 46 W N 1.737 123.158 121.300 0.202 0.000 2.209 46 W HA 0.186 4.846 4.660 0.001 0.000 0.344 46 W C 1.276 177.941 176.519 0.244 0.000 1.285 46 W CA 0.417 57.874 57.345 0.187 0.000 1.267 46 W CB -0.059 29.509 29.460 0.180 0.000 1.167 46 W HN 0.219 nan 8.180 nan 0.000 0.574 47 N N 1.777 120.618 118.700 0.236 0.000 2.301 47 N HA 0.077 4.817 4.740 0.001 0.000 0.267 47 N C 1.157 176.809 175.510 0.237 0.000 1.304 47 N CA 1.803 54.956 53.050 0.172 0.000 0.851 47 N CB 0.321 38.850 38.487 0.070 0.000 1.070 47 N HN 0.757 nan 8.380 nan 0.000 0.483 48 G N 2.290 111.168 108.800 0.130 0.000 2.189 48 G HA2 -0.273 3.687 3.960 0.001 0.000 0.267 48 G HA3 -0.273 3.687 3.960 0.001 0.000 0.267 48 G C -0.158 174.659 174.900 -0.139 0.000 0.975 48 G CA 0.500 45.585 45.100 -0.024 0.000 0.644 48 G HN 0.544 nan 8.290 nan 0.000 0.537 49 F N -0.185 119.934 119.950 0.282 0.000 2.949 49 F HA 0.504 5.031 4.527 0.001 0.000 0.376 49 F C 0.821 176.839 175.800 0.364 0.000 1.205 49 F CA -1.281 56.901 58.000 0.303 0.000 1.155 49 F CB 0.426 39.604 39.000 0.298 0.000 1.495 49 F HN 0.024 nan 8.300 nan 0.000 0.551 50 F N 1.985 122.132 119.950 0.328 0.000 2.022 50 F HA 0.268 4.795 4.527 0.000 0.000 0.293 50 F C 0.974 176.918 175.800 0.239 0.000 1.142 50 F CA 0.982 59.126 58.000 0.240 0.000 1.177 50 F CB 0.312 39.409 39.000 0.161 0.000 0.982 50 F HN 0.332 nan 8.300 nan 0.000 0.473 51 A N 0.634 123.474 122.820 0.033 0.000 2.375 51 A HA 0.671 4.991 4.320 0.001 0.000 0.291 51 A C -1.222 176.378 177.584 0.026 0.000 1.160 51 A CA -0.444 51.525 52.037 -0.113 0.000 0.747 51 A CB 1.101 19.939 19.000 -0.271 0.000 1.170 51 A HN 0.385 nan 8.150 nan 0.000 0.458 52 R N 1.156 121.661 120.500 0.008 0.000 2.564 52 R HA 0.670 5.010 4.340 0.001 0.000 0.284 52 R C -1.289 174.886 176.300 -0.208 0.000 1.031 52 R CA 0.078 56.124 56.100 -0.089 0.000 0.904 52 R CB 1.611 31.927 30.300 0.027 0.000 1.199 52 R HN 0.537 nan 8.270 nan 0.000 0.443 53 T N 4.646 118.990 114.554 -0.351 0.000 2.797 53 T HA 0.549 4.899 4.350 0.001 0.000 0.279 53 T C -1.054 173.269 174.700 -0.627 0.000 0.991 53 T CA -0.170 61.739 62.100 -0.318 0.000 0.979 53 T CB 0.455 69.209 68.868 -0.189 0.000 0.943 53 T HN 0.308 nan 8.240 nan 0.000 0.444 54 F N 2.110 121.853 119.950 -0.344 0.000 2.403 54 F HA 0.294 4.821 4.527 0.001 0.000 0.355 54 F C 0.502 176.168 175.800 -0.225 0.000 1.119 54 F CA -1.061 56.737 58.000 -0.335 0.000 1.007 54 F CB 1.203 40.014 39.000 -0.315 0.000 1.194 54 F HN 0.434 nan 8.300 nan 0.000 0.443 55 D N 4.286 124.869 120.400 0.306 0.000 2.325 55 D HA 0.113 4.753 4.640 0.001 0.000 0.251 55 D C -0.299 176.061 176.300 0.100 0.000 1.196 55 D CA 0.154 54.224 54.000 0.116 0.000 0.866 55 D CB 0.807 41.712 40.800 0.175 0.000 1.101 55 D HN 0.097 nan 8.370 nan 0.000 0.476 56 F N 1.426 121.512 119.950 0.227 0.000 2.429 56 F HA 0.084 4.611 4.527 0.000 0.000 0.348 56 F C 1.244 177.090 175.800 0.077 0.000 1.109 56 F CA -0.858 57.236 58.000 0.156 0.000 1.232 56 F CB 0.407 39.522 39.000 0.192 0.000 1.157 56 F HN 0.230 nan 8.300 nan 0.000 0.564 57 D N 1.054 121.591 120.400 0.229 0.000 2.360 57 D HA 0.014 4.654 4.640 0.001 0.000 0.242 57 D C 1.055 177.411 176.300 0.093 0.000 1.184 57 D CA -0.016 54.042 54.000 0.097 0.000 0.930 57 D CB 0.827 41.639 40.800 0.019 0.000 1.161 57 D HN 0.619 nan 8.370 nan 0.000 0.447 58 E N 0.346 120.576 120.200 0.049 0.000 2.333 58 E HA -0.028 4.322 4.350 0.001 0.000 0.198 58 E C 0.827 177.428 176.600 0.001 0.000 1.007 58 E CA 1.158 57.579 56.400 0.035 0.000 0.845 58 E CB 0.141 29.852 29.700 0.018 0.000 0.766 58 E HN 0.505 nan 8.360 nan 0.000 0.507 59 L N -2.045 119.159 121.223 -0.033 0.000 2.865 59 L HA 0.255 4.596 4.340 0.001 0.000 0.167 59 L C -0.451 176.323 176.870 -0.160 0.000 1.135 59 L CA -0.100 54.684 54.840 -0.093 0.000 0.895 59 L CB 0.884 42.875 42.059 -0.113 0.000 1.643 59 L HN -0.233 nan 8.230 nan 0.000 0.518 60 V N 0.499 120.296 119.914 -0.195 0.000 2.444 60 V HA 0.445 4.566 4.120 0.001 0.000 0.294 60 V C -0.650 175.374 176.094 -0.116 0.000 1.022 60 V CA -0.366 61.780 62.300 -0.256 0.000 0.850 60 V CB 1.475 32.971 31.823 -0.546 0.000 0.992 60 V HN 0.186 nan 8.190 nan 0.000 0.426 61 T N 3.210 117.735 114.554 -0.048 0.000 2.786 61 T HA 0.473 4.823 4.350 0.001 0.000 0.283 61 T C -0.089 174.652 174.700 0.068 0.000 0.992 61 T CA -0.247 61.879 62.100 0.043 0.000 0.954 61 T CB 1.395 70.391 68.868 0.213 0.000 0.934 61 T HN 0.671 nan 8.240 nan 0.000 0.440 62 T N 4.282 118.877 114.554 0.067 0.000 2.779 62 T HA 0.512 4.862 4.350 0.001 0.000 0.280 62 T C -0.231 174.557 174.700 0.147 0.000 0.987 62 T CA -0.558 61.605 62.100 0.105 0.000 0.966 62 T CB 0.501 69.431 68.868 0.103 0.000 0.933 62 T HN 0.351 nan 8.240 nan 0.000 0.442 63 L N 3.133 124.455 121.223 0.163 0.000 2.255 63 L HA 0.469 4.810 4.340 0.001 0.000 0.289 63 L C 0.507 177.469 176.870 0.153 0.000 1.046 63 L CA -0.440 54.520 54.840 0.200 0.000 0.816 63 L CB 1.134 43.286 42.059 0.155 0.000 1.197 63 L HN 0.559 nan 8.230 nan 0.000 0.427 64 S N 1.386 117.182 115.700 0.160 0.000 2.690 64 S HA 0.940 5.410 4.470 0.001 0.000 0.291 64 S C 0.173 174.844 174.600 0.118 0.000 1.138 64 S CA -0.271 58.000 58.200 0.119 0.000 1.013 64 S CB 2.019 65.279 63.200 0.100 0.000 1.053 64 S HN 0.875 nan 8.310 nan 0.000 0.539 65 G N -0.319 108.534 108.800 0.089 0.000 2.350 65 G HA2 0.444 4.404 3.960 0.001 0.000 0.304 65 G HA3 0.444 4.404 3.960 0.001 0.000 0.304 65 G C -0.528 174.409 174.900 0.061 0.000 1.421 65 G CA -0.378 44.770 45.100 0.079 0.000 0.934 65 G HN 0.920 nan 8.290 nan 0.000 0.632 66 G N -1.096 107.734 108.800 0.049 0.000 2.557 66 G HA2 0.521 4.481 3.960 0.001 0.000 0.292 66 G HA3 0.521 4.481 3.960 0.001 0.000 0.292 66 G C 0.187 175.112 174.900 0.041 0.000 1.237 66 G CA -0.616 44.508 45.100 0.040 0.000 0.978 66 G HN 0.847 nan 8.290 nan 0.000 0.498 67 N N -0.283 118.438 118.700 0.036 0.000 2.356 67 N HA 0.239 4.980 4.740 0.001 0.000 0.252 67 N C 1.316 176.848 175.510 0.036 0.000 1.241 67 N CA 1.042 54.114 53.050 0.037 0.000 0.861 67 N CB 0.376 38.881 38.487 0.030 0.000 1.075 67 N HN 0.967 nan 8.380 nan 0.000 0.461 68 G N 0.950 109.776 108.800 0.043 0.000 2.189 68 G HA2 -0.395 3.565 3.960 0.001 0.000 0.267 68 G HA3 -0.395 3.565 3.960 0.001 0.000 0.267 68 G C 1.022 175.947 174.900 0.041 0.000 0.975 68 G CA 0.521 45.646 45.100 0.042 0.000 0.644 68 G HN 0.768 nan 8.290 nan 0.000 0.537 69 A N -0.454 122.395 122.820 0.048 0.000 1.940 69 A HA 0.401 4.722 4.320 0.001 0.000 0.219 69 A C 2.825 180.453 177.584 0.073 0.000 1.176 69 A CA 2.679 54.745 52.037 0.048 0.000 0.631 69 A CB -0.479 18.561 19.000 0.066 0.000 0.814 69 A HN 2.556 nan 8.150 nan 0.000 0.446 70 G N -1.995 106.876 108.800 0.118 0.000 2.164 70 G HA2 -0.161 3.800 3.960 0.001 0.000 0.154 70 G HA3 -0.161 3.800 3.960 0.001 0.000 0.154 70 G C 0.741 175.771 174.900 0.216 0.000 1.014 70 G CA 0.531 45.757 45.100 0.209 0.000 0.683 70 G HN 0.460 nan 8.290 nan 0.000 0.500 71 K N 0.574 121.052 120.400 0.131 0.000 2.097 71 K HA 0.045 4.365 4.320 0.001 0.000 0.205 71 K C 2.479 179.084 176.600 0.008 0.000 1.050 71 K CA 1.555 57.884 56.287 0.069 0.000 0.938 71 K CB -0.127 32.417 32.500 0.074 0.000 0.718 71 K HN 0.281 nan 8.250 nan 0.000 0.442 72 S N 0.424 116.143 115.700 0.032 0.000 2.395 72 S HA -0.084 4.387 4.470 0.001 0.000 0.225 72 S C 2.030 176.621 174.600 -0.016 0.000 1.027 72 S CA 1.548 59.749 58.200 0.002 0.000 0.965 72 S CB -0.171 63.056 63.200 0.047 0.000 0.812 72 S HN 0.530 nan 8.310 nan 0.000 0.482 73 T N -0.353 114.227 114.554 0.043 0.000 3.051 73 T HA -0.025 4.325 4.350 0.001 0.000 0.269 73 T C 1.627 176.304 174.700 -0.038 0.000 1.127 73 T CA 1.419 63.566 62.100 0.079 0.000 1.107 73 T CB -0.550 68.462 68.868 0.240 0.000 0.898 73 T HN 0.212 nan 8.240 nan 0.000 0.517 74 T N 2.217 116.682 114.554 -0.149 0.000 2.735 74 T HA 0.165 4.515 4.350 0.001 0.000 0.256 74 T C 2.004 176.542 174.700 -0.270 0.000 1.042 74 T CA 1.152 63.017 62.100 -0.392 0.000 1.147 74 T CB -0.331 68.204 68.868 -0.554 0.000 0.865 74 T HN 0.324 nan 8.240 nan 0.000 0.421 75 M N 1.150 120.631 119.600 -0.198 0.000 2.267 75 M HA -0.073 4.408 4.480 0.001 0.000 0.263 75 M C 2.622 178.805 176.300 -0.196 0.000 1.063 75 M CA 1.157 56.307 55.300 -0.249 0.000 1.090 75 M CB -0.681 31.699 32.600 -0.366 0.000 1.392 75 M HN 0.285 nan 8.290 nan 0.000 0.422 76 A N 1.214 123.971 122.820 -0.105 0.000 1.824 76 A HA -0.024 4.296 4.320 0.001 0.000 0.215 76 A C 2.421 180.052 177.584 0.079 0.000 1.209 76 A CA 1.931 53.974 52.037 0.009 0.000 0.614 76 A CB -1.693 17.163 19.000 -0.239 0.000 0.852 76 A HN 0.474 nan 8.150 nan 0.000 0.447 77 G N -1.116 107.563 108.800 -0.202 0.000 2.547 77 G HA2 -0.360 3.601 3.960 0.001 0.000 0.221 77 G HA3 -0.360 3.601 3.960 0.001 0.000 0.221 77 G C 1.512 176.363 174.900 -0.081 0.000 1.140 77 G CA 1.359 46.156 45.100 -0.504 0.000 0.760 77 G HN 0.519 nan 8.290 nan 0.000 0.583 78 F N 0.907 120.745 119.950 -0.186 0.000 2.011 78 F HA -0.233 4.294 4.527 0.000 0.000 0.296 78 F C 2.862 178.707 175.800 0.075 0.000 1.144 78 F CA 2.093 60.074 58.000 -0.031 0.000 1.185 78 F CB -0.419 38.581 39.000 0.000 0.000 0.961 78 F HN 0.049 nan 8.300 nan 0.000 0.485 79 V N 0.448 120.659 119.914 0.496 0.000 2.222 79 V HA -0.457 3.663 4.120 0.001 0.000 0.252 79 V C 2.260 178.612 176.094 0.430 0.000 1.060 79 V CA 2.654 65.190 62.300 0.393 0.000 1.027 79 V CB -1.431 30.513 31.823 0.201 0.000 0.644 79 V HN 0.555 nan 8.190 nan 0.000 0.448 80 T N 0.078 114.900 114.554 0.447 0.000 2.653 80 T HA -0.351 3.999 4.350 0.001 0.000 0.267 80 T C 1.873 176.788 174.700 0.358 0.000 1.037 80 T CA 2.284 64.647 62.100 0.438 0.000 1.159 80 T CB -0.516 68.642 68.868 0.483 0.000 0.859 80 T HN 0.667 nan 8.240 nan 0.000 0.449 81 A N 0.284 123.283 122.820 0.297 0.000 1.930 81 A HA 0.217 4.537 4.320 0.001 0.000 0.215 81 A C 2.295 180.110 177.584 0.386 0.000 1.176 81 A CA 0.730 52.924 52.037 0.262 0.000 0.632 81 A CB -0.669 18.401 19.000 0.117 0.000 0.819 81 A HN 0.486 nan 8.150 nan 0.000 0.445 82 L N -0.778 120.680 121.223 0.392 0.000 2.131 82 L HA 0.031 4.371 4.340 0.001 0.000 0.210 82 L C -0.227 176.979 176.870 0.559 0.000 1.092 82 L CA 1.183 56.307 54.840 0.472 0.000 0.759 82 L CB -0.008 42.404 42.059 0.587 0.000 0.903 82 L HN 0.361 nan 8.230 nan 0.000 0.435 83 I N 0.060 120.957 120.570 0.545 0.000 2.649 83 I HA 0.173 4.343 4.170 0.001 0.000 0.275 83 I C -2.285 174.080 176.117 0.413 0.000 1.180 83 I CA -1.047 60.593 61.300 0.566 0.000 1.049 83 I CB 1.679 40.021 38.000 0.570 0.000 1.234 83 I HN -0.151 nan 8.210 nan 0.000 0.506 84 P HA 0.053 nan 4.420 nan 0.000 0.237 84 P C -0.571 176.827 177.300 0.164 0.000 1.723 84 P CA 0.234 63.472 63.100 0.231 0.000 0.882 84 P CB 0.061 31.850 31.700 0.148 0.000 1.810 85 D N 0.793 121.293 120.400 0.166 0.000 2.427 85 D HA 0.147 4.787 4.640 0.001 0.000 0.226 85 D C 1.276 177.604 176.300 0.045 0.000 1.076 85 D CA -0.586 53.467 54.000 0.088 0.000 0.849 85 D CB 0.877 41.719 40.800 0.071 0.000 1.052 85 D HN 0.011 nan 8.370 nan 0.000 0.515 86 L N 2.496 123.752 121.223 0.054 0.000 2.549 86 L HA -0.066 4.275 4.340 0.001 0.000 0.229 86 L C 1.967 178.838 176.870 0.001 0.000 1.158 86 L CA 0.647 55.517 54.840 0.051 0.000 0.842 86 L CB -0.103 41.995 42.059 0.064 0.000 0.952 86 L HN 0.365 nan 8.230 nan 0.000 0.452 87 T N -0.422 114.116 114.554 -0.027 0.000 2.942 87 T HA -0.012 4.338 4.350 0.001 0.000 0.265 87 T C 1.673 176.292 174.700 -0.134 0.000 1.062 87 T CA 0.879 62.947 62.100 -0.053 0.000 1.139 87 T CB 0.182 69.029 68.868 -0.035 0.000 0.883 87 T HN 0.051 nan 8.240 nan 0.000 0.468 88 L N 0.121 121.193 121.223 -0.252 0.000 2.347 88 L HA 0.388 4.729 4.340 0.001 0.000 0.196 88 L C 0.693 177.165 176.870 -0.663 0.000 1.072 88 L CA 0.452 54.924 54.840 -0.612 0.000 0.817 88 L CB -0.892 40.553 42.059 -1.023 0.000 1.029 88 L HN 0.171 nan 8.230 nan 0.000 0.478 89 L N 2.847 123.829 121.223 -0.402 0.000 2.841 89 L HA -0.147 4.193 4.340 0.001 0.000 0.282 89 L C 0.092 176.898 176.870 -0.107 0.000 1.130 89 L CA 0.565 55.324 54.840 -0.136 0.000 0.996 89 L CB -0.710 41.431 42.059 0.137 0.000 1.364 89 L HN 0.433 nan 8.230 nan 0.000 0.466 90 N N 4.593 123.161 118.700 -0.221 0.000 2.599 90 N HA 0.173 4.913 4.740 0.001 0.000 0.283 90 N C -1.264 174.183 175.510 -0.104 0.000 1.160 90 N CA -0.484 52.541 53.050 -0.042 0.000 0.869 90 N CB 0.908 39.417 38.487 0.037 0.000 1.448 90 N HN 0.145 nan 8.380 nan 0.000 0.535 91 F N 3.425 123.497 119.950 0.204 0.000 2.467 91 F HA 0.451 4.978 4.527 0.000 0.000 0.349 91 F C 1.207 177.130 175.800 0.207 0.000 1.182 91 F CA -0.709 57.428 58.000 0.229 0.000 1.279 91 F CB 0.175 39.279 39.000 0.175 0.000 1.626 91 F HN 0.095 nan 8.300 nan 0.000 0.596 92 R N 0.268 120.946 120.500 0.298 0.000 2.827 92 R HA 0.081 4.422 4.340 0.001 0.000 0.269 92 R C 0.077 176.450 176.300 0.122 0.000 1.048 92 R CA -0.580 55.600 56.100 0.133 0.000 1.173 92 R CB 0.242 30.533 30.300 -0.016 0.000 1.070 92 R HN 0.384 nan 8.270 nan 0.000 0.498 93 N N -0.456 118.270 118.700 0.043 0.000 2.530 93 N HA -0.027 4.713 4.740 0.001 0.000 0.273 93 N C 0.839 176.301 175.510 -0.081 0.000 1.173 93 N CA -0.030 53.043 53.050 0.039 0.000 0.967 93 N CB 1.006 39.510 38.487 0.029 0.000 1.109 93 N HN 0.633 nan 8.380 nan 0.000 0.453 94 T N -1.292 113.238 114.554 -0.040 0.000 2.803 94 T HA -0.241 4.109 4.350 0.001 0.000 0.269 94 T C 1.745 176.366 174.700 -0.131 0.000 1.052 94 T CA 1.825 63.843 62.100 -0.137 0.000 1.136 94 T CB -1.092 67.796 68.868 0.035 0.000 0.864 94 T HN 0.711 nan 8.240 nan 0.000 0.467 95 T N -0.026 114.489 114.554 -0.066 0.000 3.025 95 T HA -0.024 4.327 4.350 0.001 0.000 0.270 95 T C 0.649 175.304 174.700 -0.075 0.000 1.126 95 T CA 0.659 62.728 62.100 -0.052 0.000 1.105 95 T CB -0.410 68.444 68.868 -0.024 0.000 0.884 95 T HN 0.631 nan 8.240 nan 0.000 0.522 96 E N 0.329 120.462 120.200 -0.112 0.000 2.593 96 E HA 0.604 4.955 4.350 0.001 0.000 0.232 96 E C 0.501 176.980 176.600 -0.202 0.000 1.026 96 E CA -0.386 55.944 56.400 -0.115 0.000 0.772 96 E CB 1.466 31.120 29.700 -0.076 0.000 1.310 96 E HN 0.363 nan 8.360 nan 0.000 0.413 97 A N 2.000 124.697 122.820 -0.205 0.000 1.982 97 A HA 0.188 4.508 4.320 0.001 0.000 0.217 97 A C 1.826 179.315 177.584 -0.157 0.000 1.457 97 A CA 0.699 52.571 52.037 -0.275 0.000 0.654 97 A CB -0.635 18.226 19.000 -0.232 0.000 1.150 97 A HN 0.528 nan 8.150 nan 0.000 0.509 98 G N 0.978 109.720 108.800 -0.096 0.000 3.302 98 G HA2 0.303 4.263 3.960 0.001 0.000 0.220 98 G HA3 0.303 4.263 3.960 0.001 0.000 0.220 98 G C 0.040 174.914 174.900 -0.043 0.000 1.297 98 G CA 0.345 45.412 45.100 -0.056 0.000 1.213 98 G HN 0.292 nan 8.290 nan 0.000 0.508 99 S N -0.326 115.342 115.700 -0.052 0.000 2.499 99 S HA 0.253 4.724 4.470 0.001 0.000 0.275 99 S C 1.303 175.897 174.600 -0.010 0.000 1.257 99 S CA -0.401 57.779 58.200 -0.032 0.000 1.050 99 S CB 1.551 64.728 63.200 -0.038 0.000 0.937 99 S HN 0.258 nan 8.310 nan 0.000 0.490 100 T N 2.018 116.570 114.554 -0.004 0.000 3.100 100 T HA 0.052 4.402 4.350 0.001 0.000 0.253 100 T C 0.684 175.390 174.700 0.010 0.000 1.118 100 T CA 0.073 62.177 62.100 0.007 0.000 1.058 100 T CB 0.040 68.911 68.868 0.005 0.000 0.953 100 T HN 0.528 nan 8.240 nan 0.000 0.515 101 S N 2.174 117.878 115.700 0.006 0.000 2.673 101 S HA 0.019 4.490 4.470 0.001 0.000 0.308 101 S C 1.023 175.633 174.600 0.017 0.000 1.246 101 S CA -0.210 57.996 58.200 0.010 0.000 1.077 101 S CB 0.286 63.491 63.200 0.008 0.000 0.814 101 S HN 0.325 nan 8.310 nan 0.000 0.503 102 S N 1.835 117.543 115.700 0.015 0.000 2.578 102 S HA 0.090 4.560 4.470 0.001 0.000 0.228 102 S C 1.812 176.420 174.600 0.014 0.000 1.022 102 S CA -0.114 58.096 58.200 0.015 0.000 0.967 102 S CB 0.402 63.609 63.200 0.012 0.000 0.914 102 S HN 0.648 nan 8.310 nan 0.000 0.515 103 S N 1.661 117.368 115.700 0.012 0.000 2.355 103 S HA 0.174 4.644 4.470 0.001 0.000 0.216 103 S C 0.851 175.459 174.600 0.013 0.000 1.037 103 S CA 0.020 58.225 58.200 0.009 0.000 0.955 103 S CB -0.075 63.128 63.200 0.005 0.000 0.877 103 S HN 0.366 nan 8.310 nan 0.000 0.488 104 R N 2.007 122.517 120.500 0.016 0.000 2.715 104 R HA -0.060 4.281 4.340 0.001 0.000 0.266 104 R C -0.095 176.225 176.300 0.032 0.000 0.981 104 R CA 0.639 56.752 56.100 0.022 0.000 1.105 104 R CB -0.307 30.008 30.300 0.025 0.000 0.953 104 R HN 0.491 nan 8.270 nan 0.000 0.432 105 D N 1.029 121.450 120.400 0.034 0.000 2.533 105 D HA -0.078 4.562 4.640 0.001 0.000 0.236 105 D C 0.514 176.868 176.300 0.090 0.000 1.137 105 D CA 0.243 54.271 54.000 0.046 0.000 0.867 105 D CB 0.814 41.638 40.800 0.040 0.000 1.170 105 D HN 0.195 nan 8.370 nan 0.000 0.474 106 K N 3.007 123.472 120.400 0.108 0.000 2.283 106 K HA 0.055 4.376 4.320 0.001 0.000 0.202 106 K C 1.626 178.397 176.600 0.285 0.000 1.048 106 K CA 0.947 57.339 56.287 0.174 0.000 0.948 106 K CB -0.583 32.014 32.500 0.163 0.000 0.742 106 K HN 0.788 nan 8.250 nan 0.000 0.458 107 G N 1.223 110.154 108.800 0.220 0.000 2.179 107 G HA2 -0.298 3.662 3.960 0.001 0.000 0.260 107 G HA3 -0.298 3.662 3.960 0.001 0.000 0.260 107 G C 0.711 175.689 174.900 0.130 0.000 0.977 107 G CA 0.649 45.874 45.100 0.209 0.000 0.641 107 G HN 0.409 nan 8.290 nan 0.000 0.533 108 L N -1.436 119.877 121.223 0.151 0.000 2.221 108 L HA 0.385 4.725 4.340 0.001 0.000 0.202 108 L C 2.307 179.142 176.870 -0.059 0.000 1.074 108 L CA 1.287 56.105 54.840 -0.035 0.000 0.795 108 L CB -0.309 41.809 42.059 0.098 0.000 0.960 108 L HN 0.222 nan 8.230 nan 0.000 0.458 109 Y N 1.253 121.509 120.300 -0.074 0.000 2.133 109 Y HA -0.348 4.202 4.550 0.001 0.000 0.279 109 Y C 2.077 177.901 175.900 -0.126 0.000 1.209 109 Y CA 2.225 60.267 58.100 -0.097 0.000 1.152 109 Y CB -0.580 37.855 38.460 -0.041 0.000 0.961 109 Y HN 0.287 nan 8.280 nan 0.000 0.512 110 G N -0.948 107.882 108.800 0.050 0.000 2.650 110 G HA2 -0.138 3.822 3.960 0.001 0.000 0.214 110 G HA3 -0.138 3.822 3.960 0.001 0.000 0.214 110 G C 1.433 176.266 174.900 -0.113 0.000 1.136 110 G CA 0.396 45.485 45.100 -0.017 0.000 0.789 110 G HN 0.409 nan 8.290 nan 0.000 0.536 111 K N -0.758 119.529 120.400 -0.189 0.000 2.426 111 K HA 0.199 4.519 4.320 0.001 0.000 0.193 111 K C -0.006 176.372 176.600 -0.370 0.000 1.028 111 K CA -0.238 55.942 56.287 -0.179 0.000 1.047 111 K CB 0.254 32.671 32.500 -0.139 0.000 0.821 111 K HN 0.150 nan 8.250 nan 0.000 0.513 112 L N 0.681 121.592 121.223 -0.521 0.000 2.400 112 L HA 0.291 4.631 4.340 0.001 0.000 0.264 112 L C 0.090 176.751 176.870 -0.348 0.000 1.061 112 L CA -0.287 54.192 54.840 -0.602 0.000 0.799 112 L CB 0.619 42.271 42.059 -0.678 0.000 1.240 112 L HN -0.252 nan 8.230 nan 0.000 0.461 113 K N -0.131 120.112 120.400 -0.261 0.000 2.280 113 K HA 0.822 5.142 4.320 0.001 0.000 0.234 113 K C -0.762 175.738 176.600 -0.166 0.000 1.028 113 K CA -0.546 55.657 56.287 -0.140 0.000 0.882 113 K CB 1.551 34.041 32.500 -0.015 0.000 1.194 113 K HN 0.664 nan 8.250 nan 0.000 0.458 114 A N 0.701 123.455 122.820 -0.110 0.000 2.425 114 A HA 0.538 4.858 4.320 0.001 0.000 0.242 114 A C 0.617 178.164 177.584 -0.063 0.000 1.077 114 A CA 0.796 52.775 52.037 -0.096 0.000 0.781 114 A CB -0.899 18.067 19.000 -0.056 0.000 1.020 114 A HN 0.894 nan 8.150 nan 0.000 0.494 115 G N -0.637 108.127 108.800 -0.060 0.000 2.553 115 G HA2 -0.018 3.942 3.960 0.001 0.000 0.242 115 G HA3 -0.018 3.942 3.960 0.001 0.000 0.242 115 G C -0.037 174.827 174.900 -0.060 0.000 1.277 115 G CA -0.320 44.758 45.100 -0.037 0.000 0.910 115 G HN 1.677 nan 8.290 nan 0.000 0.576 116 V N 0.184 120.074 119.914 -0.040 0.000 2.637 116 V HA 0.435 4.555 4.120 0.001 0.000 0.296 116 V C 0.850 176.878 176.094 -0.110 0.000 1.046 116 V CA 0.341 62.579 62.300 -0.103 0.000 1.066 116 V CB 0.470 32.252 31.823 -0.069 0.000 0.968 116 V HN 0.982 nan 8.190 nan 0.000 0.483 117 C N 4.162 123.315 119.300 -0.245 0.000 2.994 117 C HA 0.747 5.208 4.460 0.001 0.000 0.305 117 C C -0.848 173.979 174.990 -0.272 0.000 1.251 117 C CA -0.992 57.947 59.018 -0.132 0.000 1.478 117 C CB 1.753 29.410 27.740 -0.138 0.000 1.922 117 C HN 0.797 nan 8.230 nan 0.000 0.472 118 Y N 0.302 120.719 120.300 0.194 0.000 2.602 118 Y HA 0.734 5.284 4.550 0.001 0.000 0.342 118 Y C 0.175 176.192 175.900 0.196 0.000 1.029 118 Y CA -0.653 57.509 58.100 0.102 0.000 1.080 118 Y CB 1.734 40.057 38.460 -0.228 0.000 1.284 118 Y HN 0.811 nan 8.280 nan 0.000 0.485 119 A N 1.506 124.483 122.820 0.262 0.000 2.547 119 A HA 0.695 5.015 4.320 0.001 0.000 0.279 119 A C -2.078 175.516 177.584 0.016 0.000 1.088 119 A CA -0.481 51.586 52.037 0.050 0.000 0.796 119 A CB 0.233 19.311 19.000 0.130 0.000 1.308 119 A HN 0.421 nan 8.150 nan 0.000 0.415 120 V N 3.019 122.912 119.914 -0.034 0.000 2.604 120 V HA 0.600 4.720 4.120 0.001 0.000 0.305 120 V C -0.303 175.799 176.094 0.013 0.000 1.043 120 V CA -0.524 61.789 62.300 0.021 0.000 0.888 120 V CB 1.787 33.686 31.823 0.126 0.000 0.995 120 V HN 0.771 nan 8.190 nan 0.000 0.429 121 L N 3.341 124.596 121.223 0.055 0.000 2.346 121 L HA 0.633 4.974 4.340 0.001 0.000 0.276 121 L C -0.169 176.799 176.870 0.164 0.000 1.006 121 L CA -0.301 54.588 54.840 0.082 0.000 0.817 121 L CB 2.041 44.151 42.059 0.084 0.000 1.272 121 L HN 0.708 nan 8.230 nan 0.000 0.421 122 E N 1.990 122.305 120.200 0.191 0.000 2.155 122 E HA 0.413 4.763 4.350 0.001 0.000 0.264 122 E C -1.395 175.294 176.600 0.149 0.000 0.886 122 E CA -0.386 56.106 56.400 0.154 0.000 0.752 122 E CB 1.593 31.365 29.700 0.119 0.000 1.133 122 E HN 0.498 nan 8.360 nan 0.000 0.414 123 T N 2.760 117.341 114.554 0.045 0.000 2.856 123 T HA 0.388 4.739 4.350 0.001 0.000 0.283 123 T C -0.842 173.816 174.700 -0.069 0.000 1.008 123 T CA -0.527 61.516 62.100 -0.096 0.000 0.997 123 T CB 1.493 70.194 68.868 -0.279 0.000 0.992 123 T HN 0.229 nan 8.240 nan 0.000 0.454 124 V N 4.020 123.885 119.914 -0.081 0.000 2.350 124 V HA 0.320 4.440 4.120 0.001 0.000 0.285 124 V C 0.638 176.678 176.094 -0.089 0.000 1.014 124 V CA -1.092 61.174 62.300 -0.057 0.000 0.831 124 V CB 0.955 32.766 31.823 -0.021 0.000 1.000 124 V HN 0.850 nan 8.190 nan 0.000 0.433 125 N N 2.216 120.858 118.700 -0.095 0.000 2.237 125 N HA -0.036 4.705 4.740 0.001 0.000 0.222 125 N C 1.206 176.664 175.510 -0.087 0.000 1.311 125 N CA 0.165 53.149 53.050 -0.109 0.000 0.880 125 N CB 0.401 38.824 38.487 -0.107 0.000 1.106 125 N HN 0.646 nan 8.380 nan 0.000 0.435 126 S N 0.356 116.000 115.700 -0.094 0.000 2.474 126 S HA -0.055 4.415 4.470 0.001 0.000 0.235 126 S C 0.877 175.440 174.600 -0.061 0.000 0.997 126 S CA 1.052 59.208 58.200 -0.073 0.000 0.949 126 S CB -0.024 63.129 63.200 -0.079 0.000 0.766 126 S HN 0.432 nan 8.310 nan 0.000 0.517 127 R N 0.691 121.152 120.500 -0.065 0.000 2.694 127 R HA 0.421 4.762 4.340 0.001 0.000 0.334 127 R C 0.806 177.080 176.300 -0.043 0.000 1.143 127 R CA 0.344 56.413 56.100 -0.052 0.000 1.073 127 R CB 0.080 30.346 30.300 -0.057 0.000 1.366 127 R HN 0.238 nan 8.270 nan 0.000 0.577 128 A N 0.935 123.730 122.820 -0.042 0.000 2.765 128 A HA -0.264 4.056 4.320 0.001 0.000 0.286 128 A C 0.206 177.773 177.584 -0.030 0.000 1.457 128 A CA 1.136 53.154 52.037 -0.032 0.000 0.899 128 A CB -1.274 17.712 19.000 -0.022 0.000 0.983 128 A HN 0.530 nan 8.150 nan 0.000 0.584 129 Q N -0.582 119.194 119.800 -0.040 0.000 2.323 129 Q HA 0.252 4.593 4.340 0.001 0.000 0.257 129 Q C 0.459 176.442 176.000 -0.028 0.000 1.022 129 Q CA -0.333 55.450 55.803 -0.033 0.000 0.919 129 Q CB 0.763 29.475 28.738 -0.044 0.000 1.220 129 Q HN 0.559 nan 8.270 nan 0.000 0.427 130 R N 4.227 124.721 120.500 -0.010 0.000 2.345 130 R HA 0.208 4.548 4.340 0.001 0.000 0.331 130 R C -0.815 175.498 176.300 0.021 0.000 1.067 130 R CA 0.105 56.206 56.100 0.003 0.000 0.962 130 R CB -0.042 30.263 30.300 0.009 0.000 0.987 130 R HN 0.508 nan 8.270 nan 0.000 0.451 131 I N 5.192 125.777 120.570 0.024 0.000 2.607 131 I HA 0.383 4.553 4.170 0.001 0.000 0.305 131 I C -0.002 176.187 176.117 0.120 0.000 0.995 131 I CA -1.023 60.323 61.300 0.078 0.000 1.148 131 I CB 2.003 40.018 38.000 0.026 0.000 1.323 131 I HN 0.536 nan 8.210 nan 0.000 0.461 132 I N 3.513 124.203 120.570 0.201 0.000 2.497 132 I HA 0.253 4.423 4.170 0.001 0.000 0.284 132 I C -0.751 175.539 176.117 0.288 0.000 1.060 132 I CA -0.252 61.182 61.300 0.223 0.000 1.071 132 I CB 2.055 40.182 38.000 0.212 0.000 1.216 132 I HN 0.586 nan 8.210 nan 0.000 0.442 133 T N 1.845 116.545 114.554 0.244 0.000 2.809 133 T HA 0.865 5.215 4.350 0.001 0.000 0.284 133 T C -0.189 174.547 174.700 0.059 0.000 0.992 133 T CA -0.679 61.568 62.100 0.244 0.000 0.957 133 T CB 2.038 71.141 68.868 0.393 0.000 0.942 133 T HN 0.703 nan 8.240 nan 0.000 0.439 134 G N 1.066 109.615 108.800 -0.418 0.000 3.058 134 G HA2 0.744 4.704 3.960 0.001 0.000 0.282 134 G HA3 0.744 4.704 3.960 0.001 0.000 0.282 134 G C -1.673 172.835 174.900 -0.653 0.000 1.248 134 G CA -0.864 43.967 45.100 -0.449 0.000 0.822 134 G HN 0.894 nan 8.290 nan 0.000 0.579 135 V N -0.080 119.726 119.914 -0.180 0.000 3.012 135 V HA 0.576 4.696 4.120 0.001 0.000 0.307 135 V C -0.766 175.537 176.094 0.349 0.000 1.166 135 V CA -0.861 61.478 62.300 0.066 0.000 0.974 135 V CB 2.220 34.084 31.823 0.067 0.000 1.040 135 V HN 0.709 nan 8.190 nan 0.000 0.428 136 R N 3.205 123.880 120.500 0.292 0.000 2.278 136 R HA 0.519 4.859 4.340 0.001 0.000 0.322 136 R C -1.678 174.593 176.300 -0.047 0.000 1.058 136 R CA -0.606 55.494 56.100 -0.000 0.000 0.991 136 R CB 0.543 30.815 30.300 -0.047 0.000 1.140 136 R HN 0.539 nan 8.270 nan 0.000 0.518 137 L N 3.672 124.862 121.223 -0.055 0.000 2.290 137 L HA 0.311 4.651 4.340 0.001 0.000 0.284 137 L C 0.182 176.975 176.870 -0.129 0.000 1.078 137 L CA 0.431 55.242 54.840 -0.048 0.000 0.815 137 L CB 1.184 43.228 42.059 -0.024 0.000 1.162 137 L HN 0.516 nan 8.230 nan 0.000 0.435 138 Q N 3.271 123.015 119.800 -0.094 0.000 2.309 138 Q HA 0.281 4.621 4.340 0.001 0.000 0.254 138 Q C -1.441 174.522 176.000 -0.061 0.000 0.938 138 Q CA -0.697 55.047 55.803 -0.098 0.000 0.789 138 Q CB 1.341 30.035 28.738 -0.074 0.000 1.313 138 Q HN 0.632 nan 8.270 nan 0.000 0.438 139 Q N 3.989 123.722 119.800 -0.113 0.000 2.274 139 Q HA 0.139 4.479 4.340 0.001 0.000 0.280 139 Q C 0.169 176.211 176.000 0.070 0.000 1.047 139 Q CA 0.473 56.261 55.803 -0.026 0.000 0.907 139 Q CB 0.680 29.246 28.738 -0.286 0.000 1.171 139 Q HN 0.563 nan 8.270 nan 0.000 0.381 140 I N 1.429 122.084 120.570 0.141 0.000 2.836 140 I HA -0.000 4.170 4.170 0.001 0.000 0.285 140 I C 0.774 176.944 176.117 0.090 0.000 1.174 140 I CA -0.353 60.999 61.300 0.087 0.000 1.405 140 I CB 0.498 38.539 38.000 0.068 0.000 1.385 140 I HN 0.749 nan 8.210 nan 0.000 0.594 141 A N 5.360 128.211 122.820 0.051 0.000 2.134 141 A HA -0.107 4.214 4.320 0.001 0.000 0.327 141 A C 1.484 179.100 177.584 0.053 0.000 1.194 141 A CA 0.621 52.683 52.037 0.041 0.000 1.405 141 A CB -1.616 17.399 19.000 0.025 0.000 0.704 141 A HN 1.190 nan 8.150 nan 0.000 0.342 142 G N 1.157 110.004 108.800 0.077 0.000 1.967 142 G HA2 -0.267 3.694 3.960 0.001 0.000 0.244 142 G HA3 -0.267 3.694 3.960 0.001 0.000 0.244 142 G C 1.141 176.073 174.900 0.054 0.000 0.709 142 G CA 0.816 45.974 45.100 0.096 0.000 0.899 142 G HN 0.880 nan 8.290 nan 0.000 0.392 143 R N -0.555 119.963 120.500 0.030 0.000 2.119 143 R HA 0.127 4.467 4.340 0.001 0.000 0.202 143 R C 0.854 177.133 176.300 -0.034 0.000 1.114 143 R CA 1.191 57.291 56.100 0.000 0.000 1.089 143 R CB 0.309 30.607 30.300 -0.003 0.000 1.000 143 R HN 0.503 nan 8.270 nan 0.000 0.487 144 D N -0.606 119.750 120.400 -0.073 0.000 2.482 144 D HA 0.221 4.861 4.640 0.001 0.000 0.223 144 D C -0.508 175.574 176.300 -0.365 0.000 1.262 144 D CA -0.307 53.602 54.000 -0.153 0.000 1.125 144 D CB 1.143 41.867 40.800 -0.127 0.000 1.196 144 D HN -0.129 nan 8.370 nan 0.000 0.594 145 K N -0.091 119.995 120.400 -0.524 0.000 3.278 145 K HA 0.218 4.539 4.320 0.001 0.000 0.200 145 K C -0.911 175.253 176.600 -0.726 0.000 1.107 145 K CA -0.226 55.360 56.287 -1.169 0.000 0.923 145 K CB 1.017 33.077 32.500 -0.733 0.000 0.787 145 K HN 0.087 nan 8.250 nan 0.000 0.481 146 K N 1.213 121.404 120.400 -0.349 0.000 2.123 146 K HA 0.440 4.761 4.320 0.001 0.000 0.259 146 K C -0.713 175.990 176.600 0.171 0.000 0.960 146 K CA -0.568 55.694 56.287 -0.041 0.000 0.872 146 K CB 1.422 33.908 32.500 -0.023 0.000 1.079 146 K HN -0.128 nan 8.250 nan 0.000 0.440 147 V N 2.203 122.221 119.914 0.173 0.000 2.815 147 V HA 0.252 4.372 4.120 0.001 0.000 0.314 147 V C -0.837 175.310 176.094 0.089 0.000 1.064 147 V CA -0.812 61.586 62.300 0.163 0.000 0.952 147 V CB 1.780 33.689 31.823 0.143 0.000 1.020 147 V HN 0.931 nan 8.190 nan 0.000 0.439 148 D N 2.319 122.754 120.400 0.058 0.000 2.308 148 D HA 0.624 5.264 4.640 0.001 0.000 0.242 148 D C -0.937 175.385 176.300 0.036 0.000 1.059 148 D CA -0.161 53.864 54.000 0.042 0.000 0.830 148 D CB 1.226 42.044 40.800 0.030 0.000 1.161 148 D HN 0.447 nan 8.370 nan 0.000 0.494 149 I N 3.006 123.607 120.570 0.051 0.000 2.689 149 I HA 0.517 4.687 4.170 0.001 0.000 0.299 149 I C -0.287 175.868 176.117 0.063 0.000 1.059 149 I CA -0.997 60.339 61.300 0.061 0.000 1.055 149 I CB 1.908 39.957 38.000 0.082 0.000 1.243 149 I HN 0.277 nan 8.210 nan 0.000 0.425 150 R N 4.974 125.522 120.500 0.081 0.000 2.531 150 R HA 0.363 4.703 4.340 0.001 0.000 0.293 150 R C -2.817 173.557 176.300 0.124 0.000 1.124 150 R CA -1.644 54.519 56.100 0.104 0.000 0.945 150 R CB 2.485 32.864 30.300 0.133 0.000 1.195 150 R HN 0.199 nan 8.270 nan 0.000 0.433 151 P HA 0.273 nan 4.420 nan 0.000 0.274 151 P C -0.969 176.337 177.300 0.009 0.000 1.231 151 P CA -0.080 62.810 63.100 -0.350 0.000 0.790 151 P CB 0.477 31.747 31.700 -0.717 0.000 0.951 152 F N -1.573 118.326 119.950 -0.085 0.000 2.877 152 F HA 0.796 5.323 4.527 0.000 0.000 0.319 152 F C -1.370 174.578 175.800 0.246 0.000 1.174 152 F CA -1.090 56.943 58.000 0.054 0.000 0.903 152 F CB 0.813 39.919 39.000 0.177 0.000 1.357 152 F HN 0.350 nan 8.300 nan 0.000 0.472 153 S N 0.821 116.774 115.700 0.422 0.000 2.537 153 S HA 0.809 5.279 4.470 0.001 0.000 0.270 153 S C -2.107 172.722 174.600 0.382 0.000 1.142 153 S CA -0.753 57.650 58.200 0.337 0.000 0.870 153 S CB 1.658 64.869 63.200 0.018 0.000 1.112 153 S HN 0.957 nan 8.310 nan 0.000 0.466 154 L N 1.951 123.389 121.223 0.358 0.000 2.362 154 L HA 0.722 5.062 4.340 0.001 0.000 0.271 154 L C -0.413 176.525 176.870 0.114 0.000 1.002 154 L CA -0.467 54.480 54.840 0.178 0.000 0.818 154 L CB 2.189 44.303 42.059 0.092 0.000 1.298 154 L HN 0.864 nan 8.230 nan 0.000 0.420 155 Q N 1.565 121.376 119.800 0.019 0.000 2.345 155 Q HA 0.375 4.716 4.340 0.001 0.000 0.275 155 Q C -0.716 175.275 176.000 -0.016 0.000 1.063 155 Q CA -0.460 55.378 55.803 0.058 0.000 0.819 155 Q CB 1.667 30.481 28.738 0.126 0.000 1.356 155 Q HN 0.637 nan 8.270 nan 0.000 0.418 156 N N 0.056 118.756 118.700 0.000 0.000 2.882 156 N HA -0.149 4.591 4.740 0.001 0.000 0.249 156 N C -1.212 174.273 175.510 -0.043 0.000 1.079 156 N CA 0.744 53.784 53.050 -0.016 0.000 0.800 156 N CB -1.138 37.342 38.487 -0.011 0.000 1.124 156 N HN 0.248 nan 8.380 nan 0.000 0.557 157 V N 0.879 120.756 119.914 -0.063 0.000 2.637 157 V HA 0.248 4.369 4.120 0.001 0.000 0.296 157 V C -1.522 174.555 176.094 -0.029 0.000 1.046 157 V CA -0.884 61.371 62.300 -0.075 0.000 1.066 157 V CB 0.675 32.438 31.823 -0.099 0.000 0.968 157 V HN -0.021 nan 8.190 nan 0.000 0.483 158 P HA 0.118 nan 4.420 nan 0.000 0.268 158 P C 0.739 178.037 177.300 -0.004 0.000 1.205 158 P CA -0.261 62.836 63.100 -0.005 0.000 0.771 158 P CB 0.351 32.051 31.700 0.001 0.000 0.858 159 M N 1.394 120.993 119.600 -0.000 0.000 2.629 159 M HA -0.086 4.394 4.480 0.001 0.000 0.257 159 M C 1.183 177.486 176.300 0.004 0.000 1.071 159 M CA 1.591 56.893 55.300 0.003 0.000 1.077 159 M CB -1.233 31.369 32.600 0.004 0.000 1.423 159 M HN 0.343 nan 8.290 nan 0.000 0.508 160 T N -0.535 114.020 114.554 0.002 0.000 2.953 160 T HA -0.007 4.343 4.350 0.001 0.000 0.247 160 T C 0.090 174.790 174.700 -0.000 0.000 1.029 160 T CA 0.099 62.200 62.100 0.002 0.000 1.144 160 T CB 0.008 68.877 68.868 0.001 0.000 0.870 160 T HN 0.238 nan 8.240 nan 0.000 0.446 161 D N 2.518 122.917 120.400 -0.002 0.000 2.531 161 D HA 0.145 4.785 4.640 0.001 0.000 0.239 161 D C 0.074 176.368 176.300 -0.009 0.000 1.144 161 D CA 0.310 54.306 54.000 -0.006 0.000 0.869 161 D CB 0.405 41.204 40.800 -0.002 0.000 1.160 161 D HN 0.089 nan 8.370 nan 0.000 0.484 162 S N 1.501 117.194 115.700 -0.012 0.000 2.572 162 S HA 0.040 4.510 4.470 0.001 0.000 0.279 162 S C 1.389 175.981 174.600 -0.014 0.000 1.341 162 S CA -0.903 57.291 58.200 -0.011 0.000 1.043 162 S CB 0.753 63.944 63.200 -0.014 0.000 0.887 162 S HN 0.261 nan 8.310 nan 0.000 0.516 163 V N 6.236 126.155 119.914 0.009 0.000 2.759 163 V HA -0.118 4.002 4.120 0.001 0.000 0.256 163 V C 1.930 178.068 176.094 0.075 0.000 1.080 163 V CA 1.454 63.780 62.300 0.043 0.000 1.101 163 V CB -0.799 31.084 31.823 0.100 0.000 0.698 163 V HN 0.801 nan 8.190 nan 0.000 0.477 164 I N 1.136 121.730 120.570 0.040 0.000 2.193 164 I HA -0.174 3.996 4.170 0.001 0.000 0.240 164 I C 2.769 178.883 176.117 -0.005 0.000 1.084 164 I CA 1.568 62.893 61.300 0.042 0.000 1.365 164 I CB -0.738 37.256 38.000 -0.011 0.000 1.064 164 I HN 0.485 nan 8.210 nan 0.000 0.410 165 S N 1.963 117.641 115.700 -0.037 0.000 2.407 165 S HA -0.199 4.271 4.470 0.001 0.000 0.235 165 S C 1.983 176.514 174.600 -0.114 0.000 1.036 165 S CA 1.233 59.397 58.200 -0.060 0.000 1.013 165 S CB -1.040 62.133 63.200 -0.046 0.000 0.820 165 S HN 0.426 nan 8.310 nan 0.000 0.476 166 L N -1.059 120.050 121.223 -0.189 0.000 2.093 166 L HA 0.033 4.374 4.340 0.001 0.000 0.208 166 L C 1.920 178.475 176.870 -0.525 0.000 1.085 166 L CA 1.354 55.987 54.840 -0.344 0.000 0.755 166 L CB -0.572 41.159 42.059 -0.546 0.000 0.904 166 L HN 0.311 nan 8.230 nan 0.000 0.435 167 F N -0.511 119.337 119.950 -0.170 0.000 2.727 167 F HA 0.079 4.606 4.527 0.000 0.000 0.302 167 F C 1.059 176.750 175.800 -0.182 0.000 1.097 167 F CA -0.194 57.627 58.000 -0.298 0.000 1.330 167 F CB -0.164 38.500 39.000 -0.560 0.000 1.084 167 F HN -0.004 nan 8.300 nan 0.000 0.578 168 T N -2.875 111.669 114.554 -0.016 0.000 2.900 168 T HA 0.586 4.937 4.350 0.001 0.000 0.295 168 T C -0.358 174.325 174.700 -0.029 0.000 1.044 168 T CA -0.912 61.181 62.100 -0.011 0.000 0.995 168 T CB 2.797 71.641 68.868 -0.041 0.000 1.072 168 T HN -0.017 nan 8.240 nan 0.000 0.473 169 E N 0.468 120.667 120.200 -0.002 0.000 2.819 169 E HA 0.473 4.824 4.350 0.001 0.000 0.241 169 E C -0.618 175.991 176.600 0.015 0.000 0.987 169 E CA -1.034 55.360 56.400 -0.010 0.000 1.024 169 E CB 0.656 30.351 29.700 -0.009 0.000 1.448 169 E HN 0.399 nan 8.360 nan 0.000 0.484 170 Q N 1.139 120.945 119.800 0.009 0.000 2.961 170 Q HA 0.269 4.609 4.340 0.001 0.000 0.223 170 Q C -1.748 174.259 176.000 0.012 0.000 0.859 170 Q CA -0.138 55.676 55.803 0.018 0.000 0.771 170 Q CB 1.737 30.480 28.738 0.008 0.000 1.389 170 Q HN 0.215 nan 8.270 nan 0.000 0.460 171 V N 1.234 121.160 119.914 0.021 0.000 2.311 171 V HA 0.580 4.700 4.120 0.001 0.000 0.275 171 V C 0.652 176.753 176.094 0.012 0.000 1.022 171 V CA 0.104 62.411 62.300 0.012 0.000 0.830 171 V CB 1.045 32.877 31.823 0.015 0.000 1.012 171 V HN 0.789 nan 8.190 nan 0.000 0.452 172 A N 5.099 127.922 122.820 0.005 0.000 2.876 172 A HA -0.197 4.123 4.320 0.001 0.000 0.287 172 A C 1.069 178.656 177.584 0.005 0.000 1.455 172 A CA 0.849 52.888 52.037 0.003 0.000 0.744 172 A CB -2.255 16.746 19.000 0.002 0.000 1.041 172 A HN 1.471 nan 8.150 nan 0.000 0.500 173 N N -2.031 116.674 118.700 0.008 0.000 2.732 173 N HA -0.212 4.528 4.740 0.001 0.000 0.250 173 N C -0.120 175.401 175.510 0.017 0.000 1.097 173 N CA 2.354 55.410 53.050 0.010 0.000 0.812 173 N CB -0.723 37.767 38.487 0.005 0.000 1.148 173 N HN 1.175 nan 8.380 nan 0.000 0.572 174 K N -0.063 120.351 120.400 0.023 0.000 2.259 174 K HA 0.716 5.036 4.320 0.001 0.000 0.252 174 K C -0.548 176.092 176.600 0.067 0.000 0.936 174 K CA -0.340 55.968 56.287 0.034 0.000 0.810 174 K CB 1.367 33.879 32.500 0.020 0.000 1.143 174 K HN 0.068 nan 8.250 nan 0.000 0.427 175 A N 3.686 126.577 122.820 0.119 0.000 2.388 175 A HA 0.338 4.658 4.320 0.001 0.000 0.257 175 A C -0.442 177.278 177.584 0.226 0.000 1.095 175 A CA -0.437 51.712 52.037 0.188 0.000 0.791 175 A CB 0.408 19.604 19.000 0.326 0.000 1.029 175 A HN 0.882 nan 8.150 nan 0.000 0.489 176 R N 2.066 122.672 120.500 0.177 0.000 2.621 176 R HA 0.532 4.872 4.340 0.001 0.000 0.284 176 R C -2.077 174.311 176.300 0.146 0.000 0.998 176 R CA -0.521 55.680 56.100 0.168 0.000 0.895 176 R CB 1.732 32.087 30.300 0.093 0.000 1.195 176 R HN 0.455 nan 8.270 nan 0.000 0.450 177 V N 6.527 126.554 119.914 0.188 0.000 2.368 177 V HA 0.213 4.334 4.120 0.001 0.000 0.266 177 V C 0.520 176.716 176.094 0.170 0.000 1.045 177 V CA -0.594 61.816 62.300 0.183 0.000 0.899 177 V CB 0.655 32.624 31.823 0.244 0.000 1.006 177 V HN 0.578 nan 8.190 nan 0.000 0.470 178 L N 4.006 125.314 121.223 0.141 0.000 2.439 178 L HA 0.731 5.071 4.340 0.001 0.000 0.261 178 L C 0.698 177.678 176.870 0.183 0.000 1.153 178 L CA -0.185 54.713 54.840 0.097 0.000 0.808 178 L CB 0.643 42.701 42.059 -0.001 0.000 1.126 178 L HN 0.621 nan 8.230 nan 0.000 0.460 179 S N 1.092 116.858 115.700 0.109 0.000 2.738 179 S HA 0.449 4.920 4.470 0.001 0.000 0.284 179 S C 1.069 175.714 174.600 0.076 0.000 1.146 179 S CA -0.943 57.331 58.200 0.123 0.000 0.997 179 S CB 1.098 64.332 63.200 0.056 0.000 1.081 179 S HN 0.714 nan 8.310 nan 0.000 0.553 180 L N 0.922 122.193 121.223 0.079 0.000 2.013 180 L HA -0.162 4.178 4.340 0.001 0.000 0.212 180 L C 2.868 179.741 176.870 0.005 0.000 1.073 180 L CA 1.724 56.586 54.840 0.036 0.000 0.753 180 L CB -0.876 41.294 42.059 0.184 0.000 0.890 180 L HN 0.800 nan 8.230 nan 0.000 0.432 181 N N 0.074 118.804 118.700 0.050 0.000 2.289 181 N HA -0.191 4.550 4.740 0.001 0.000 0.184 181 N C 1.231 176.727 175.510 -0.024 0.000 1.016 181 N CA 1.366 54.443 53.050 0.045 0.000 0.872 181 N CB 0.014 38.526 38.487 0.042 0.000 0.973 181 N HN 0.377 nan 8.380 nan 0.000 0.433 182 D N 0.520 120.884 120.400 -0.060 0.000 2.234 182 D HA -0.030 4.610 4.640 0.001 0.000 0.205 182 D C 2.093 178.264 176.300 -0.215 0.000 0.962 182 D CA 0.224 54.160 54.000 -0.106 0.000 0.855 182 D CB 0.044 40.800 40.800 -0.073 0.000 0.951 182 D HN 0.325 nan 8.370 nan 0.000 0.500 183 L N 0.755 121.800 121.223 -0.297 0.000 2.044 183 L HA -0.121 4.219 4.340 0.001 0.000 0.205 183 L C 2.524 179.147 176.870 -0.411 0.000 1.075 183 L CA 0.916 55.465 54.840 -0.485 0.000 0.747 183 L CB -0.274 41.333 42.059 -0.753 0.000 0.903 183 L HN -0.055 nan 8.230 nan 0.000 0.435 184 K N 0.685 120.908 120.400 -0.295 0.000 1.988 184 K HA -0.280 4.040 4.320 0.001 0.000 0.221 184 K C 1.827 178.435 176.600 0.014 0.000 1.053 184 K CA 2.168 58.507 56.287 0.087 0.000 0.959 184 K CB -0.152 32.477 32.500 0.215 0.000 0.728 184 K HN 0.237 nan 8.250 nan 0.000 0.447 185 E N 0.409 120.580 120.200 -0.049 0.000 2.037 185 E HA -0.319 4.031 4.350 0.001 0.000 0.214 185 E C 2.056 178.567 176.600 -0.149 0.000 1.041 185 E CA 2.093 58.449 56.400 -0.074 0.000 0.872 185 E CB -0.245 29.401 29.700 -0.091 0.000 0.785 185 E HN 0.313 nan 8.360 nan 0.000 0.476 186 K N 0.007 120.228 120.400 -0.298 0.000 2.184 186 K HA -0.230 4.091 4.320 0.001 0.000 0.210 186 K C 1.192 177.440 176.600 -0.588 0.000 1.048 186 K CA 1.885 57.854 56.287 -0.529 0.000 0.931 186 K CB -0.232 31.763 32.500 -0.841 0.000 0.718 186 K HN 0.147 nan 8.250 nan 0.000 0.465 187 F N -0.527 119.369 119.950 -0.091 0.000 2.668 187 F HA 0.176 4.703 4.527 0.000 0.000 0.301 187 F C 1.619 177.418 175.800 -0.001 0.000 1.106 187 F CA -0.725 57.247 58.000 -0.047 0.000 1.289 187 F CB 0.570 39.544 39.000 -0.043 0.000 1.006 187 F HN 0.034 nan 8.300 nan 0.000 0.535 188 E N 1.512 121.778 120.200 0.110 0.000 2.016 188 E HA -0.099 4.252 4.350 0.001 0.000 0.190 188 E C 0.861 177.501 176.600 0.067 0.000 0.985 188 E CA 1.208 57.661 56.400 0.087 0.000 0.802 188 E CB 0.033 29.760 29.700 0.046 0.000 0.762 188 E HN 0.327 nan 8.360 nan 0.000 0.448 189 E N 0.542 120.765 120.200 0.040 0.000 2.422 189 E HA 0.139 4.489 4.350 0.001 0.000 0.267 189 E C -0.833 175.793 176.600 0.044 0.000 1.466 189 E CA -0.044 56.374 56.400 0.031 0.000 1.767 189 E CB 0.391 30.097 29.700 0.010 0.000 1.471 189 E HN 0.105 nan 8.360 nan 0.000 0.446 190 T N -1.120 113.480 114.554 0.077 0.000 2.865 190 T HA 0.389 4.739 4.350 0.001 0.000 0.294 190 T C 0.926 175.674 174.700 0.080 0.000 1.119 190 T CA -0.536 61.622 62.100 0.096 0.000 1.007 190 T CB 1.711 70.695 68.868 0.193 0.000 1.225 190 T HN 0.086 nan 8.240 nan 0.000 0.515 191 A N 0.607 123.465 122.820 0.062 0.000 1.929 191 A HA 0.265 4.585 4.320 0.001 0.000 0.216 191 A C 1.115 178.715 177.584 0.026 0.000 1.176 191 A CA 0.679 52.739 52.037 0.037 0.000 0.628 191 A CB -0.674 18.341 19.000 0.025 0.000 0.816 191 A HN 0.660 nan 8.150 nan 0.000 0.444 192 V N 1.491 121.416 119.914 0.018 0.000 2.843 192 V HA 0.050 4.171 4.120 0.001 0.000 0.305 192 V C 0.337 176.403 176.094 -0.046 0.000 1.120 192 V CA 1.002 63.252 62.300 -0.084 0.000 1.254 192 V CB 0.378 32.033 31.823 -0.279 0.000 0.901 192 V HN 0.440 nan 8.190 nan 0.000 0.503 193 T N 6.059 120.575 114.554 -0.064 0.000 2.977 193 T HA 0.343 4.693 4.350 0.001 0.000 0.346 193 T C -0.584 174.120 174.700 0.006 0.000 1.140 193 T CA -0.172 61.923 62.100 -0.009 0.000 1.040 193 T CB 0.145 69.011 68.868 -0.005 0.000 1.046 193 T HN 0.442 nan 8.240 nan 0.000 0.494 194 F N 3.714 123.600 119.950 -0.106 0.000 2.421 194 F HA 0.496 5.023 4.527 0.001 0.000 0.358 194 F C 0.278 176.007 175.800 -0.118 0.000 1.115 194 F CA -0.957 56.995 58.000 -0.081 0.000 1.160 194 F CB 0.485 39.492 39.000 0.012 0.000 1.123 194 F HN 0.250 nan 8.300 nan 0.000 0.508 195 K N 9.211 129.174 120.400 -0.729 0.000 2.507 195 K HA 0.378 4.699 4.320 0.001 0.000 0.253 195 K C -2.972 172.902 176.600 -1.210 0.000 0.969 195 K CA -2.130 53.594 56.287 -0.938 0.000 0.908 195 K CB 1.627 33.623 32.500 -0.840 0.000 1.127 195 K HN 0.331 nan 8.250 nan 0.000 0.437 196 P HA 0.132 nan 4.420 nan 0.000 0.293 196 P C -1.203 175.743 177.300 -0.589 0.000 1.313 196 P CA -0.343 62.364 63.100 -0.654 0.000 0.787 196 P CB 0.414 31.854 31.700 -0.433 0.000 0.910 197 Y N 1.474 121.675 120.300 -0.165 0.000 2.299 197 Y HA 0.190 4.741 4.550 0.000 0.000 0.326 197 Y C 2.178 178.065 175.900 -0.020 0.000 1.164 197 Y CA 0.211 58.218 58.100 -0.156 0.000 1.234 197 Y CB 0.678 39.093 38.460 -0.074 0.000 1.219 197 Y HN 0.495 nan 8.280 nan 0.000 0.497 198 H N -0.274 118.864 119.070 0.114 0.000 2.431 198 H HA 0.062 4.619 4.556 0.001 0.000 0.295 198 H C 0.448 175.817 175.328 0.068 0.000 1.038 198 H CA 0.499 56.585 56.048 0.064 0.000 1.360 198 H CB 0.639 30.424 29.762 0.039 0.000 1.433 198 H HN 0.431 nan 8.280 nan 0.000 0.536 199 S N 0.337 116.161 115.700 0.208 0.000 2.449 199 S HA 0.135 4.606 4.470 0.001 0.000 0.310 199 S C 1.123 175.769 174.600 0.077 0.000 1.096 199 S CA -0.713 57.558 58.200 0.118 0.000 1.095 199 S CB 1.133 64.390 63.200 0.094 0.000 1.007 199 S HN 0.403 nan 8.310 nan 0.000 0.474 200 I N 4.691 125.281 120.570 0.032 0.000 2.248 200 I HA -0.199 3.971 4.170 0.001 0.000 0.248 200 I C 1.869 177.924 176.117 -0.104 0.000 1.107 200 I CA 1.913 63.191 61.300 -0.038 0.000 1.373 200 I CB -0.378 37.588 38.000 -0.056 0.000 1.055 200 I HN 0.758 nan 8.210 nan 0.000 0.418 201 T N 1.001 115.534 114.554 -0.036 0.000 2.721 201 T HA -0.214 4.136 4.350 0.001 0.000 0.268 201 T C 1.330 176.013 174.700 -0.028 0.000 1.038 201 T CA 1.908 63.996 62.100 -0.019 0.000 1.145 201 T CB -0.377 68.495 68.868 0.007 0.000 0.858 201 T HN 0.534 nan 8.240 nan 0.000 0.459 202 D N -0.370 120.016 120.400 -0.022 0.000 2.213 202 D HA -0.015 4.626 4.640 0.001 0.000 0.205 202 D C 1.749 177.874 176.300 -0.291 0.000 0.961 202 D CA 0.498 54.474 54.000 -0.040 0.000 0.853 202 D CB -0.455 40.407 40.800 0.105 0.000 0.967 202 D HN 0.365 nan 8.370 nan 0.000 0.496 203 Y N 2.011 121.956 120.300 -0.592 0.000 2.128 203 Y HA -0.256 4.294 4.550 0.001 0.000 0.284 203 Y C 2.151 177.859 175.900 -0.321 0.000 1.154 203 Y CA 1.665 59.263 58.100 -0.837 0.000 1.149 203 Y CB -0.768 37.387 38.460 -0.508 0.000 0.976 203 Y HN 0.149 nan 8.280 nan 0.000 0.505 204 H N -2.059 116.837 119.070 -0.289 0.000 2.357 204 H HA -0.111 4.446 4.556 0.001 0.000 0.301 204 H C 2.558 177.784 175.328 -0.170 0.000 1.082 204 H CA 0.954 56.814 56.048 -0.313 0.000 1.342 204 H CB -0.215 29.392 29.762 -0.259 0.000 1.389 204 H HN 0.288 nan 8.280 nan 0.000 0.511 205 S N 0.123 115.839 115.700 0.025 0.000 2.420 205 S HA -0.220 4.251 4.470 0.001 0.000 0.237 205 S C 1.811 176.488 174.600 0.128 0.000 1.023 205 S CA 1.253 59.496 58.200 0.072 0.000 0.991 205 S CB -0.358 62.874 63.200 0.053 0.000 0.792 205 S HN 0.379 nan 8.310 nan 0.000 0.488 206 F N 1.706 121.591 119.950 -0.108 0.000 2.094 206 F HA 0.167 4.694 4.527 0.001 0.000 0.291 206 F C 2.062 177.814 175.800 -0.079 0.000 1.109 206 F CA 1.538 59.487 58.000 -0.084 0.000 1.221 206 F CB -0.607 38.299 39.000 -0.157 0.000 1.014 206 F HN 0.155 nan 8.300 nan 0.000 0.473 207 M N -0.735 118.727 119.600 -0.230 0.000 2.267 207 M HA -0.198 4.282 4.480 0.001 0.000 0.263 207 M C 2.083 178.237 176.300 -0.244 0.000 1.063 207 M CA 1.662 56.770 55.300 -0.319 0.000 1.090 207 M CB -0.804 31.668 32.600 -0.214 0.000 1.392 207 M HN 0.321 nan 8.290 nan 0.000 0.422 208 F N 1.555 121.341 119.950 -0.273 0.000 2.206 208 F HA -0.152 4.375 4.527 0.001 0.000 0.298 208 F C 1.729 177.403 175.800 -0.210 0.000 1.090 208 F CA 1.563 59.426 58.000 -0.228 0.000 1.323 208 F CB -0.237 38.647 39.000 -0.194 0.000 1.028 208 F HN 0.080 nan 8.300 nan 0.000 0.492 209 D N 0.467 120.633 120.400 -0.390 0.000 2.120 209 D HA -0.061 4.579 4.640 0.001 0.000 0.202 209 D C 2.148 178.190 176.300 -0.429 0.000 0.972 209 D CA 1.216 54.955 54.000 -0.434 0.000 0.837 209 D CB -0.544 40.132 40.800 -0.207 0.000 0.989 209 D HN 0.283 nan 8.370 nan 0.000 0.469 210 L N 0.501 121.433 121.223 -0.484 0.000 2.711 210 L HA 0.110 4.451 4.340 0.001 0.000 0.242 210 L C 0.624 177.280 176.870 -0.356 0.000 1.153 210 L CA 0.033 54.618 54.840 -0.426 0.000 0.898 210 L CB -0.866 40.848 42.059 -0.574 0.000 1.044 210 L HN 0.088 nan 8.230 nan 0.000 0.437 211 G N 0.782 109.351 108.800 -0.385 0.000 2.342 211 G HA2 -0.268 3.692 3.960 0.001 0.000 0.267 211 G HA3 -0.268 3.692 3.960 0.001 0.000 0.267 211 G C 0.360 175.108 174.900 -0.253 0.000 0.922 211 G CA 0.324 45.231 45.100 -0.321 0.000 1.342 211 G HN 0.426 nan 8.290 nan 0.000 0.430 212 I N 0.501 120.936 120.570 -0.225 0.000 3.746 212 I HA 0.197 4.367 4.170 0.001 0.000 0.262 212 I C 1.171 177.248 176.117 -0.065 0.000 1.153 212 I CA -0.341 60.838 61.300 -0.202 0.000 1.395 212 I CB -0.137 37.737 38.000 -0.209 0.000 1.589 212 I HN 0.196 nan 8.210 nan 0.000 0.441 213 L N 3.591 124.791 121.223 -0.038 0.000 2.452 213 L HA 0.136 4.476 4.340 0.001 0.000 0.267 213 L C -1.359 175.559 176.870 0.080 0.000 1.188 213 L CA -0.467 54.379 54.840 0.009 0.000 0.821 213 L CB 0.046 42.009 42.059 -0.160 0.000 1.102 213 L HN 0.015 nan 8.230 nan 0.000 0.470 214 P HA 0.023 nan 4.420 nan 0.000 0.239 214 P C 0.203 177.580 177.300 0.127 0.000 1.188 214 P CA 0.670 63.877 63.100 0.180 0.000 0.794 214 P CB 1.088 32.971 31.700 0.306 0.000 0.937 215 K N -0.366 119.986 120.400 -0.079 0.000 2.331 215 K HA 0.419 4.739 4.320 0.001 0.000 0.238 215 K C -0.341 175.917 176.600 -0.569 0.000 1.058 215 K CA -0.916 55.158 56.287 -0.353 0.000 0.871 215 K CB 1.780 33.832 32.500 -0.747 0.000 1.292 215 K HN -0.354 nan 8.250 nan 0.000 0.470 216 R N 2.451 122.468 120.500 -0.806 0.000 2.247 216 R HA 0.267 4.607 4.340 0.001 0.000 0.329 216 R C -0.929 174.998 176.300 -0.622 0.000 1.014 216 R CA -0.674 54.824 56.100 -1.003 0.000 0.907 216 R CB 0.303 29.969 30.300 -1.057 0.000 1.146 216 R HN 0.345 nan 8.270 nan 0.000 0.499 217 L N 5.327 126.229 121.223 -0.534 0.000 2.423 217 L HA 0.250 4.590 4.340 0.001 0.000 0.249 217 L C 1.643 178.391 176.870 -0.202 0.000 1.276 217 L CA 0.360 54.971 54.840 -0.382 0.000 1.199 217 L CB 0.040 41.819 42.059 -0.467 0.000 1.407 217 L HN 0.299 nan 8.230 nan 0.000 0.410 218 R N -0.853 119.516 120.500 -0.218 0.000 2.193 218 R HA 0.097 4.437 4.340 0.001 0.000 0.213 218 R C 0.809 177.060 176.300 -0.082 0.000 1.055 218 R CA 0.446 56.462 56.100 -0.140 0.000 0.995 218 R CB 0.124 30.332 30.300 -0.154 0.000 0.893 218 R HN 0.469 nan 8.270 nan 0.000 0.459 219 S N -1.668 113.983 115.700 -0.083 0.000 2.618 219 S HA 0.217 4.687 4.470 0.001 0.000 0.277 219 S C 0.418 175.003 174.600 -0.026 0.000 1.138 219 S CA -0.751 57.422 58.200 -0.045 0.000 0.844 219 S CB 2.054 65.225 63.200 -0.047 0.000 1.127 219 S HN 0.006 nan 8.310 nan 0.000 0.474 220 S N 1.288 116.985 115.700 -0.004 0.000 2.465 220 S HA -0.089 4.381 4.470 0.001 0.000 0.241 220 S C 1.875 176.480 174.600 0.007 0.000 1.000 220 S CA 1.568 59.775 58.200 0.012 0.000 0.964 220 S CB -0.413 62.794 63.200 0.012 0.000 0.763 220 S HN 0.786 nan 8.310 nan 0.000 0.512 221 S N 1.636 117.328 115.700 -0.013 0.000 2.414 221 S HA -0.046 4.424 4.470 0.001 0.000 0.227 221 S C 1.113 175.690 174.600 -0.038 0.000 1.022 221 S CA 0.928 59.117 58.200 -0.018 0.000 0.958 221 S CB -0.414 62.768 63.200 -0.031 0.000 0.797 221 S HN 0.441 nan 8.310 nan 0.000 0.493 222 D N 1.476 121.833 120.400 -0.072 0.000 2.194 222 D HA 0.081 4.721 4.640 0.001 0.000 0.204 222 D C 2.282 178.535 176.300 -0.078 0.000 0.964 222 D CA 0.680 54.599 54.000 -0.135 0.000 0.846 222 D CB -0.069 40.607 40.800 -0.207 0.000 0.962 222 D HN 0.316 nan 8.370 nan 0.000 0.490 223 R N 0.378 120.874 120.500 -0.006 0.000 2.066 223 R HA -0.079 4.262 4.340 0.001 0.000 0.232 223 R C 2.017 178.428 176.300 0.185 0.000 1.131 223 R CA 1.050 57.208 56.100 0.097 0.000 0.955 223 R CB -0.515 29.857 30.300 0.121 0.000 0.851 223 R HN 0.145 nan 8.270 nan 0.000 0.432 224 N N 1.038 119.813 118.700 0.125 0.000 2.036 224 N HA -0.235 4.506 4.740 0.001 0.000 0.199 224 N C 1.509 177.177 175.510 0.264 0.000 1.036 224 N CA 2.053 55.199 53.050 0.159 0.000 0.870 224 N CB 0.037 38.587 38.487 0.105 0.000 1.055 224 N HN 0.129 nan 8.380 nan 0.000 0.436 225 K N -1.010 119.521 120.400 0.218 0.000 2.057 225 K HA -0.163 4.158 4.320 0.001 0.000 0.207 225 K C 1.943 178.844 176.600 0.502 0.000 1.049 225 K CA 1.236 57.721 56.287 0.330 0.000 0.931 225 K CB -0.385 32.138 32.500 0.038 0.000 0.714 225 K HN 0.198 nan 8.250 nan 0.000 0.440 226 F N 1.014 121.085 119.950 0.201 0.000 2.069 226 F HA -0.296 4.231 4.527 0.001 0.000 0.298 226 F C 2.331 178.298 175.800 0.278 0.000 1.113 226 F CA 1.514 59.642 58.000 0.214 0.000 1.214 226 F CB -0.683 38.299 39.000 -0.029 0.000 0.978 226 F HN 0.050 nan 8.300 nan 0.000 0.474 227 Y N 0.946 121.349 120.300 0.171 0.000 2.114 227 Y HA -0.259 4.292 4.550 0.001 0.000 0.284 227 Y C 2.595 178.505 175.900 0.016 0.000 1.143 227 Y CA 2.407 60.535 58.100 0.046 0.000 1.135 227 Y CB -0.739 37.786 38.460 0.109 0.000 0.980 227 Y HN 0.054 nan 8.280 nan 0.000 0.499 228 K N 0.645 121.220 120.400 0.292 0.000 2.107 228 K HA -0.264 4.056 4.320 0.001 0.000 0.211 228 K C 2.138 178.740 176.600 0.003 0.000 1.049 228 K CA 2.011 58.408 56.287 0.183 0.000 0.927 228 K CB -0.822 31.862 32.500 0.308 0.000 0.714 228 K HN 0.576 nan 8.250 nan 0.000 0.452 229 L N -0.024 121.226 121.223 0.045 0.000 2.005 229 L HA -0.064 4.276 4.340 0.001 0.000 0.207 229 L C 2.057 178.820 176.870 -0.178 0.000 1.072 229 L CA 1.432 56.240 54.840 -0.054 0.000 0.744 229 L CB -0.246 41.829 42.059 0.026 0.000 0.895 229 L HN 0.225 nan 8.230 nan 0.000 0.433 230 I N -0.104 120.301 120.570 -0.274 0.000 2.151 230 I HA -0.333 3.837 4.170 0.001 0.000 0.243 230 I C 2.584 178.504 176.117 -0.329 0.000 1.080 230 I CA 1.772 62.904 61.300 -0.280 0.000 1.339 230 I CB -0.620 37.175 38.000 -0.343 0.000 1.039 230 I HN 0.442 nan 8.210 nan 0.000 0.409 231 E N 1.076 120.971 120.200 -0.508 0.000 2.130 231 E HA -0.258 4.092 4.350 0.001 0.000 0.196 231 E C 2.131 178.571 176.600 -0.266 0.000 0.998 231 E CA 1.455 57.545 56.400 -0.517 0.000 0.806 231 E CB -0.038 29.380 29.700 -0.471 0.000 0.738 231 E HN 0.533 nan 8.360 nan 0.000 0.459 232 A N 0.303 123.023 122.820 -0.167 0.000 2.235 232 A HA -0.057 4.263 4.320 0.001 0.000 0.208 232 A C 2.013 179.544 177.584 -0.089 0.000 1.172 232 A CA 1.281 53.265 52.037 -0.090 0.000 0.786 232 A CB -0.131 18.806 19.000 -0.105 0.000 0.804 232 A HN 0.331 nan 8.150 nan 0.000 0.479 233 S N -1.458 114.177 115.700 -0.109 0.000 2.539 233 S HA 0.189 4.659 4.470 0.001 0.000 0.226 233 S C 1.673 176.253 174.600 -0.033 0.000 1.054 233 S CA 0.302 58.465 58.200 -0.062 0.000 0.910 233 S CB -0.442 62.719 63.200 -0.064 0.000 0.818 233 S HN 0.343 nan 8.310 nan 0.000 0.490 234 L N -0.043 121.092 121.223 -0.147 0.000 2.023 234 L HA 0.075 4.415 4.340 0.001 0.000 0.205 234 L C 2.370 179.126 176.870 -0.190 0.000 1.073 234 L CA 1.575 56.236 54.840 -0.298 0.000 0.745 234 L CB -0.529 41.108 42.059 -0.704 0.000 0.900 234 L HN 0.344 nan 8.230 nan 0.000 0.435 235 Y N -0.088 120.168 120.300 -0.073 0.000 2.457 235 Y HA 0.119 4.669 4.550 0.000 0.000 0.292 235 Y C 1.531 177.403 175.900 -0.046 0.000 1.125 235 Y CA -0.127 57.941 58.100 -0.053 0.000 1.254 235 Y CB -0.152 38.272 38.460 -0.060 0.000 1.012 235 Y HN 0.296 nan 8.280 nan 0.000 0.555 236 G N 0.358 109.205 108.800 0.079 0.000 2.801 236 G HA2 0.173 4.134 3.960 0.001 0.000 0.686 236 G HA3 0.173 4.134 3.960 0.001 0.000 0.686 236 G C 0.071 174.972 174.900 0.001 0.000 1.507 236 G CA -0.263 44.848 45.100 0.019 0.000 0.980 236 G HN 1.043 nan 8.290 nan 0.000 0.589 237 G N -0.351 108.422 108.800 -0.046 0.000 2.409 237 G HA2 0.291 4.252 3.960 0.001 0.000 0.421 237 G HA3 0.291 4.252 3.960 0.001 0.000 0.421 237 G C -0.285 174.566 174.900 -0.081 0.000 1.259 237 G CA -0.289 44.775 45.100 -0.061 0.000 1.011 237 G HN 1.625 nan 8.290 nan 0.000 0.497 238 I N 1.688 122.211 120.570 -0.078 0.000 2.301 238 I HA 0.368 4.538 4.170 0.001 0.000 0.292 238 I C 1.138 177.206 176.117 -0.082 0.000 1.046 238 I CA -0.128 61.118 61.300 -0.089 0.000 1.282 238 I CB 1.347 39.300 38.000 -0.079 0.000 1.409 238 I HN 0.527 nan 8.210 nan 0.000 0.484 239 S N 4.081 119.719 115.700 -0.103 0.000 2.516 239 S HA 0.024 4.494 4.470 0.001 0.000 0.282 239 S C 1.210 175.748 174.600 -0.103 0.000 1.286 239 S CA -0.147 57.992 58.200 -0.102 0.000 1.066 239 S CB 1.009 64.123 63.200 -0.144 0.000 0.884 239 S HN 0.700 nan 8.310 nan 0.000 0.491 240 S N 3.710 119.367 115.700 -0.072 0.000 2.388 240 S HA -0.044 4.427 4.470 0.001 0.000 0.223 240 S C 1.807 176.367 174.600 -0.067 0.000 1.034 240 S CA 1.011 59.174 58.200 -0.062 0.000 0.963 240 S CB -0.346 62.831 63.200 -0.039 0.000 0.827 240 S HN 0.651 nan 8.310 nan 0.000 0.481 241 V N 2.427 122.306 119.914 -0.057 0.000 2.332 241 V HA -0.190 3.930 4.120 0.001 0.000 0.248 241 V C 2.209 178.233 176.094 -0.117 0.000 1.055 241 V CA 1.956 64.233 62.300 -0.038 0.000 1.038 241 V CB -0.615 31.213 31.823 0.009 0.000 0.651 241 V HN 0.515 nan 8.190 nan 0.000 0.450 242 I N -0.642 119.766 120.570 -0.270 0.000 2.202 242 I HA -0.203 3.967 4.170 0.001 0.000 0.242 242 I C 2.571 178.491 176.117 -0.329 0.000 1.091 242 I CA 1.731 62.685 61.300 -0.576 0.000 1.368 242 I CB -0.742 36.873 38.000 -0.641 0.000 1.058 242 I HN 0.293 nan 8.210 nan 0.000 0.410 243 T N 1.091 115.524 114.554 -0.201 0.000 2.607 243 T HA -0.228 4.122 4.350 0.001 0.000 0.267 243 T C 1.870 176.526 174.700 -0.074 0.000 1.049 243 T CA 1.659 63.686 62.100 -0.122 0.000 1.162 243 T CB -0.248 68.566 68.868 -0.090 0.000 0.863 243 T HN 0.260 nan 8.240 nan 0.000 0.424 244 K N 1.009 121.377 120.400 -0.054 0.000 2.097 244 K HA -0.084 4.236 4.320 0.001 0.000 0.214 244 K C 1.067 177.669 176.600 0.004 0.000 1.052 244 K CA 1.527 57.803 56.287 -0.019 0.000 0.932 244 K CB -0.103 32.394 32.500 -0.005 0.000 0.716 244 K HN 0.146 nan 8.250 nan 0.000 0.455 245 S N 0.610 116.326 115.700 0.026 0.000 2.143 245 S HA 0.232 4.702 4.470 0.001 0.000 0.188 245 S C 0.624 175.311 174.600 0.145 0.000 1.431 245 S CA -0.376 57.880 58.200 0.093 0.000 1.253 245 S CB 0.483 63.781 63.200 0.163 0.000 1.137 245 S HN 0.168 nan 8.310 nan 0.000 0.457 246 L N 1.682 122.934 121.223 0.047 0.000 2.131 246 L HA -0.077 4.264 4.340 0.001 0.000 0.210 246 L C 2.055 178.993 176.870 0.112 0.000 1.092 246 L CA 1.321 56.185 54.840 0.041 0.000 0.759 246 L CB -0.013 42.031 42.059 -0.024 0.000 0.903 246 L HN 0.487 nan 8.230 nan 0.000 0.435 247 R N -1.821 118.722 120.500 0.071 0.000 3.298 247 R HA 0.026 4.367 4.340 0.001 0.000 0.249 247 R C -0.009 176.323 176.300 0.053 0.000 1.563 247 R CA 0.418 56.537 56.100 0.033 0.000 1.378 247 R CB -0.212 30.066 30.300 -0.035 0.000 1.250 247 R HN 0.148 nan 8.270 nan 0.000 0.580 248 D N -1.517 118.975 120.400 0.154 0.000 2.399 248 D HA 0.065 4.705 4.640 0.001 0.000 0.269 248 D C -0.087 176.215 176.300 0.002 0.000 1.105 248 D CA 0.289 54.324 54.000 0.059 0.000 0.844 248 D CB 0.239 41.070 40.800 0.051 0.000 1.372 248 D HN 0.278 nan 8.370 nan 0.000 0.517 249 Y N -0.015 120.335 120.300 0.083 0.000 2.507 249 Y HA 0.449 5.000 4.550 0.001 0.000 0.254 249 Y C 1.363 177.203 175.900 -0.101 0.000 1.171 249 Y CA 0.111 58.237 58.100 0.044 0.000 1.238 249 Y CB 0.595 38.993 38.460 -0.104 0.000 1.148 249 Y HN -0.099 nan 8.280 nan 0.000 0.525 250 L N -1.966 119.324 121.223 0.112 0.000 2.932 250 L HA 0.201 4.541 4.340 0.001 0.000 0.168 250 L C -0.402 176.515 176.870 0.079 0.000 1.125 250 L CA -0.354 54.514 54.840 0.048 0.000 0.868 250 L CB -0.190 41.880 42.059 0.017 0.000 1.496 250 L HN -0.221 nan 8.230 nan 0.000 0.519 251 L N 3.230 124.485 121.223 0.052 0.000 2.654 251 L HA 0.063 4.403 4.340 0.001 0.000 0.271 251 L C -2.174 174.750 176.870 0.090 0.000 1.169 251 L CA -0.632 54.236 54.840 0.046 0.000 0.947 251 L CB -0.986 41.004 42.059 -0.115 0.000 1.232 251 L HN -0.095 nan 8.230 nan 0.000 0.486 252 P HA 0.159 nan 4.420 nan 0.000 0.277 252 P C -0.773 176.649 177.300 0.203 0.000 1.240 252 P CA -0.498 62.702 63.100 0.165 0.000 0.798 252 P CB 0.601 32.394 31.700 0.154 0.000 0.979 253 E N 1.905 122.186 120.200 0.135 0.000 1.936 253 E HA 0.121 4.471 4.350 0.001 0.000 0.267 253 E C -0.399 176.272 176.600 0.119 0.000 1.076 253 E CA -0.392 56.093 56.400 0.141 0.000 0.870 253 E CB -0.153 29.588 29.700 0.068 0.000 1.093 253 E HN 0.314 nan 8.360 nan 0.000 0.411 254 N N 1.978 120.762 118.700 0.140 0.000 2.412 254 N HA -0.038 4.702 4.740 0.001 0.000 0.279 254 N C -0.369 175.165 175.510 0.041 0.000 1.287 254 N CA 0.311 53.391 53.050 0.049 0.000 0.948 254 N CB 0.540 39.006 38.487 -0.036 0.000 1.255 254 N HN 0.201 nan 8.380 nan 0.000 0.485 255 S N 1.588 117.308 115.700 0.034 0.000 3.944 255 S HA 0.241 4.711 4.470 0.001 0.000 0.215 255 S C 1.406 176.021 174.600 0.024 0.000 1.220 255 S CA -0.141 58.077 58.200 0.030 0.000 0.950 255 S CB -0.081 63.133 63.200 0.023 0.000 1.615 255 S HN 0.809 nan 8.310 nan 0.000 0.466 256 G N -0.167 108.650 108.800 0.028 0.000 4.276 256 G HA2 -0.084 3.876 3.960 0.001 0.000 0.178 256 G HA3 -0.084 3.876 3.960 0.001 0.000 0.178 256 G C 0.711 175.633 174.900 0.037 0.000 0.785 256 G CA -0.187 44.929 45.100 0.027 0.000 0.853 256 G HN 0.424 nan 8.290 nan 0.000 0.428 257 V N 1.294 121.223 119.914 0.025 0.000 2.626 257 V HA -0.037 4.083 4.120 0.001 0.000 0.252 257 V C 2.720 178.862 176.094 0.079 0.000 1.067 257 V CA 2.147 64.461 62.300 0.024 0.000 1.081 257 V CB -0.383 31.424 31.823 -0.026 0.000 0.686 257 V HN 0.306 nan 8.190 nan 0.000 0.468 258 R N -0.590 119.963 120.500 0.089 0.000 2.075 258 R HA -0.029 4.311 4.340 0.001 0.000 0.220 258 R C 2.404 178.814 176.300 0.184 0.000 1.118 258 R CA 0.944 57.127 56.100 0.139 0.000 0.986 258 R CB -0.287 30.071 30.300 0.096 0.000 0.884 258 R HN 0.495 nan 8.270 nan 0.000 0.439 259 Q N 0.838 120.704 119.800 0.109 0.000 2.030 259 Q HA -0.125 4.216 4.340 0.001 0.000 0.204 259 Q C 1.679 177.722 176.000 0.071 0.000 0.986 259 Q CA 1.932 57.782 55.803 0.078 0.000 0.843 259 Q CB -0.099 28.667 28.738 0.047 0.000 0.904 259 Q HN 0.346 nan 8.270 nan 0.000 0.420 260 A N -0.790 122.075 122.820 0.074 0.000 2.239 260 A HA -0.051 4.269 4.320 0.001 0.000 0.209 260 A C 1.290 178.923 177.584 0.082 0.000 1.171 260 A CA 0.406 52.474 52.037 0.052 0.000 0.768 260 A CB -0.421 18.603 19.000 0.041 0.000 0.790 260 A HN 0.584 nan 8.150 nan 0.000 0.478 261 F N -0.689 119.247 119.950 -0.023 0.000 2.485 261 F HA 0.105 4.632 4.527 0.000 0.000 0.274 261 F C 2.223 178.002 175.800 -0.036 0.000 0.963 261 F CA 1.096 59.075 58.000 -0.035 0.000 1.169 261 F CB -0.429 38.564 39.000 -0.013 0.000 1.145 261 F HN 0.185 nan 8.300 nan 0.000 0.682 262 Q N 0.673 120.499 119.800 0.043 0.000 2.173 262 Q HA -0.185 4.155 4.340 0.001 0.000 0.208 262 Q C 0.181 176.093 176.000 -0.146 0.000 0.989 262 Q CA 1.462 57.234 55.803 -0.052 0.000 0.872 262 Q CB -0.485 28.309 28.738 0.094 0.000 0.909 262 Q HN 0.441 nan 8.270 nan 0.000 0.420 1266 E N 1.290 121.540 120.200 0.083 0.000 2.358 1266 E HA 0.021 4.371 4.350 0.001 0.000 0.195 1266 E C 1.779 178.418 176.600 0.065 0.000 1.010 1266 E CA 0.828 57.276 56.400 0.080 0.000 0.856 1266 E CB -0.041 29.692 29.700 0.055 0.000 0.795 1266 E HN 0.450 nan 8.360 nan 0.000 0.504 1267 S N 0.837 116.565 115.700 0.047 0.000 2.389 1267 S HA -0.202 4.268 4.470 0.001 0.000 0.231 1267 S C 2.176 176.811 174.600 0.058 0.000 1.052 1267 S CA 1.322 59.544 58.200 0.036 0.000 1.053 1267 S CB -0.287 62.921 63.200 0.014 0.000 0.886 1267 S HN 0.106 nan 8.310 nan 0.000 0.456 1268 V N 1.984 121.958 119.914 0.100 0.000 2.229 1268 V HA -0.190 3.931 4.120 0.001 0.000 0.243 1268 V C 2.708 178.829 176.094 0.045 0.000 1.042 1268 V CA 1.672 64.034 62.300 0.103 0.000 1.000 1268 V CB -1.460 30.479 31.823 0.194 0.000 0.637 1268 V HN 0.558 nan 8.190 nan 0.000 0.446 1269 A N 0.593 123.458 122.820 0.074 0.000 1.958 1269 A HA -0.351 3.969 4.320 0.001 0.000 0.221 1269 A C 2.205 179.790 177.584 0.002 0.000 1.178 1269 A CA 2.502 54.563 52.037 0.039 0.000 0.642 1269 A CB -0.928 18.114 19.000 0.071 0.000 0.816 1269 A HN 0.648 nan 8.150 nan 0.000 0.453 1270 N N 0.130 118.837 118.700 0.011 0.000 2.080 1270 N HA -0.092 4.648 4.740 0.001 0.000 0.189 1270 N C 1.776 177.269 175.510 -0.028 0.000 1.036 1270 N CA 1.709 54.756 53.050 -0.005 0.000 0.846 1270 N CB -0.257 38.232 38.487 0.003 0.000 1.015 1270 N HN 0.528 nan 8.380 nan 0.000 0.423 1271 I N 1.201 121.756 120.570 -0.026 0.000 2.286 1271 I HA -0.244 3.927 4.170 0.001 0.000 0.248 1271 I C 2.330 178.389 176.117 -0.097 0.000 1.115 1271 I CA 0.554 61.824 61.300 -0.049 0.000 1.392 1271 I CB -0.182 37.804 38.000 -0.023 0.000 1.065 1271 I HN 0.182 nan 8.210 nan 0.000 0.418 1272 L N 0.259 121.415 121.223 -0.111 0.000 1.989 1272 L HA -0.246 4.095 4.340 0.001 0.000 0.211 1272 L C 2.827 179.600 176.870 -0.162 0.000 1.071 1272 L CA 1.662 56.392 54.840 -0.184 0.000 0.749 1272 L CB -0.541 41.353 42.059 -0.274 0.000 0.890 1272 L HN 0.204 nan 8.230 nan 0.000 0.431 1273 R N -0.045 120.388 120.500 -0.110 0.000 2.066 1273 R HA -0.134 4.206 4.340 0.001 0.000 0.232 1273 R C 2.018 178.275 176.300 -0.072 0.000 1.131 1273 R CA 0.987 57.044 56.100 -0.072 0.000 0.955 1273 R CB -0.225 30.052 30.300 -0.038 0.000 0.851 1273 R HN 0.223 nan 8.270 nan 0.000 0.432 1274 K N 0.079 120.436 120.400 -0.073 0.000 2.633 1274 K HA -0.045 4.275 4.320 0.001 0.000 0.193 1274 K C 0.781 177.315 176.600 -0.110 0.000 1.033 1274 K CA 0.770 57.014 56.287 -0.072 0.000 0.980 1274 K CB 0.247 32.713 32.500 -0.057 0.000 0.800 1274 K HN 0.179 nan 8.250 nan 0.000 0.493 1275 T N -0.027 114.433 114.554 -0.157 0.000 3.058 1275 T HA 0.167 4.517 4.350 0.001 0.000 0.247 1275 T C 1.646 176.196 174.700 -0.250 0.000 0.987 1275 T CA -0.140 61.795 62.100 -0.274 0.000 1.062 1275 T CB 0.244 68.857 68.868 -0.425 0.000 1.048 1275 T HN 0.046 nan 8.240 nan 0.000 0.468 1276 I N 1.540 122.034 120.570 -0.127 0.000 2.208 1276 I HA -0.208 3.963 4.170 0.001 0.000 0.245 1276 I C 2.675 178.797 176.117 0.009 0.000 1.097 1276 I CA 1.377 62.692 61.300 0.025 0.000 1.363 1276 I CB -0.243 37.784 38.000 0.044 0.000 1.051 1276 I HN 0.210 nan 8.210 nan 0.000 0.413 1277 Q N 0.893 120.678 119.800 -0.026 0.000 2.046 1277 Q HA -0.185 4.155 4.340 0.001 0.000 0.200 1277 Q C 2.295 178.280 176.000 -0.025 0.000 0.975 1277 Q CA 1.529 57.321 55.803 -0.019 0.000 0.836 1277 Q CB -0.222 28.501 28.738 -0.025 0.000 0.896 1277 Q HN 0.234 nan 8.270 nan 0.000 0.428 1278 R N -0.174 120.296 120.500 -0.051 0.000 2.103 1278 R HA -0.225 4.115 4.340 0.001 0.000 0.242 1278 R C 1.819 178.101 176.300 -0.031 0.000 1.142 1278 R CA 1.790 57.859 56.100 -0.052 0.000 0.960 1278 R CB -0.072 30.176 30.300 -0.086 0.000 0.858 1278 R HN 0.170 nan 8.270 nan 0.000 0.439 1279 E N 0.330 120.518 120.200 -0.021 0.000 2.046 1279 E HA -0.203 4.147 4.350 0.001 0.000 0.190 1279 E C 1.893 178.516 176.600 0.039 0.000 0.982 1279 E CA 1.435 57.860 56.400 0.041 0.000 0.800 1279 E CB -0.114 29.681 29.700 0.158 0.000 0.756 1279 E HN 0.342 nan 8.360 nan 0.000 0.449 1280 Q N 0.193 120.013 119.800 0.033 0.000 2.096 1280 Q HA -0.234 4.106 4.340 0.001 0.000 0.208 1280 Q C 1.888 177.887 176.000 -0.002 0.000 0.993 1280 Q CA 1.931 57.742 55.803 0.014 0.000 0.862 1280 Q CB -0.156 28.586 28.738 0.007 0.000 0.915 1280 Q HN 0.266 nan 8.270 nan 0.000 0.416 1281 N N 0.068 118.765 118.700 -0.006 0.000 2.149 1281 N HA -0.200 4.540 4.740 0.001 0.000 0.188 1281 N C 1.768 177.274 175.510 -0.006 0.000 1.019 1281 N CA 1.155 54.199 53.050 -0.010 0.000 0.857 1281 N CB -0.284 38.195 38.487 -0.013 0.000 0.997 1281 N HN 0.278 nan 8.380 nan 0.000 0.426 1282 R N 1.087 121.588 120.500 0.001 0.000 2.070 1282 R HA -0.030 4.311 4.340 0.001 0.000 0.233 1282 R C 2.340 178.642 176.300 0.005 0.000 1.137 1282 R CA 1.030 57.134 56.100 0.007 0.000 0.945 1282 R CB -0.294 30.018 30.300 0.020 0.000 0.845 1282 R HN 0.165 nan 8.270 nan 0.000 0.430 1283 I N 0.954 121.528 120.570 0.005 0.000 2.226 1283 I HA -0.296 3.874 4.170 0.001 0.000 0.245 1283 I C 2.251 178.356 176.117 -0.020 0.000 1.100 1283 I CA 0.655 61.952 61.300 -0.006 0.000 1.374 1283 I CB -0.272 37.723 38.000 -0.007 0.000 1.057 1283 I HN 0.228 nan 8.210 nan 0.000 0.413 1284 L N 0.641 121.850 121.223 -0.024 0.000 2.270 1284 L HA -0.267 4.073 4.340 0.001 0.000 0.217 1284 L C 2.346 179.201 176.870 -0.025 0.000 1.107 1284 L CA 1.861 56.680 54.840 -0.035 0.000 0.772 1284 L CB -0.703 41.337 42.059 -0.032 0.000 0.902 1284 L HN 0.325 nan 8.230 nan 0.000 0.439 1285 Q N -1.677 118.115 119.800 -0.014 0.000 2.134 1285 Q HA -0.058 4.282 4.340 0.001 0.000 0.195 1285 Q C 2.235 178.233 176.000 -0.004 0.000 0.958 1285 Q CA 1.028 56.827 55.803 -0.007 0.000 0.840 1285 Q CB -0.133 28.604 28.738 -0.002 0.000 0.918 1285 Q HN 0.456 nan 8.270 nan 0.000 0.467 1286 L N 1.088 122.308 121.223 -0.005 0.000 1.990 1286 L HA -0.266 4.074 4.340 0.001 0.000 0.213 1286 L C 1.893 178.762 176.870 -0.001 0.000 1.072 1286 L CA 1.177 56.015 54.840 -0.004 0.000 0.755 1286 L CB -0.747 41.304 42.059 -0.012 0.000 0.889 1286 L HN 0.238 nan 8.230 nan 0.000 0.432 1287 N N -0.229 118.462 118.700 -0.014 0.000 2.322 1287 N HA -0.227 4.513 4.740 0.001 0.000 0.189 1287 N C 1.822 177.337 175.510 0.008 0.000 1.012 1287 N CA 1.114 54.153 53.050 -0.017 0.000 0.880 1287 N CB -0.152 38.297 38.487 -0.063 0.000 0.967 1287 N HN 0.479 nan 8.380 nan 0.000 0.439 1288 Q N -1.261 118.545 119.800 0.010 0.000 2.137 1288 Q HA 0.083 4.424 4.340 0.001 0.000 0.198 1288 Q C 1.556 177.581 176.000 0.042 0.000 0.960 1288 Q CA 1.052 56.870 55.803 0.026 0.000 0.847 1288 Q CB -0.039 28.708 28.738 0.015 0.000 0.915 1288 Q HN 0.333 nan 8.270 nan 0.000 0.448 1289 G N 0.334 109.156 108.800 0.036 0.000 3.295 1289 G HA2 0.172 4.133 3.960 0.001 0.000 0.231 1289 G HA3 0.172 4.133 3.960 0.001 0.000 0.231 1289 G C 0.443 175.381 174.900 0.063 0.000 1.277 1289 G CA 0.178 45.303 45.100 0.043 0.000 1.013 1289 G HN 0.160 nan 8.290 nan 0.000 0.509 1290 L N -1.349 119.924 121.223 0.082 0.000 3.556 1290 L HA 0.228 4.569 4.340 0.001 0.000 0.346 1290 L C 1.499 178.465 176.870 0.161 0.000 1.340 1290 L CA -0.047 54.864 54.840 0.118 0.000 0.962 1290 L CB 0.383 42.508 42.059 0.109 0.000 1.384 1290 L HN 0.073 nan 8.230 nan 0.000 0.615 1291 Q N -0.185 119.702 119.800 0.145 0.000 2.297 1291 Q HA 0.175 4.516 4.340 0.001 0.000 0.203 1291 Q C 0.752 176.822 176.000 0.117 0.000 0.931 1291 Q CA 0.496 56.410 55.803 0.184 0.000 0.885 1291 Q CB 0.553 29.388 28.738 0.162 0.000 0.991 1291 Q HN 0.231 nan 8.270 nan 0.000 0.498 1292 N N 0.985 119.732 118.700 0.079 0.000 3.301 1292 N HA 0.279 5.019 4.740 0.001 0.000 0.289 1292 N C -1.187 174.339 175.510 0.027 0.000 1.343 1292 N CA 0.073 53.146 53.050 0.039 0.000 1.136 1292 N CB 0.327 38.829 38.487 0.024 0.000 1.402 1292 N HN 0.171 nan 8.380 nan 0.000 0.516 1293 I N 0.087 120.685 120.570 0.046 0.000 3.062 1293 I HA 0.549 4.719 4.170 0.001 0.000 0.318 1293 I C -0.072 176.006 176.117 -0.065 0.000 1.026 1293 I CA -0.694 60.636 61.300 0.050 0.000 1.096 1293 I CB 1.468 39.602 38.000 0.224 0.000 1.348 1293 I HN 0.241 nan 8.210 nan 0.000 0.543 1294 A N 4.136 126.796 122.820 -0.267 0.000 3.124 1294 A HA 0.471 4.791 4.320 0.001 0.000 0.295 1294 A C -1.483 175.789 177.584 -0.520 0.000 1.199 1294 A CA -0.264 51.588 52.037 -0.307 0.000 0.845 1294 A CB -0.284 18.549 19.000 -0.279 0.000 1.381 1294 A HN 0.421 nan 8.150 nan 0.000 0.537 1295 F N 1.328 121.256 119.950 -0.036 0.000 2.430 1295 F HA 0.576 5.103 4.527 0.001 0.000 0.362 1295 F C 1.189 176.966 175.800 -0.038 0.000 1.103 1295 F CA 0.444 58.422 58.000 -0.036 0.000 1.045 1295 F CB 1.579 40.561 39.000 -0.029 0.000 1.276 1295 F HN 1.013 nan 8.300 nan 0.000 0.444 1296 G N 2.500 111.350 108.800 0.084 0.000 2.561 1296 G HA2 -0.278 3.682 3.960 0.001 0.000 0.289 1296 G HA3 -0.278 3.682 3.960 0.001 0.000 0.289 1296 G C 0.691 175.602 174.900 0.018 0.000 1.169 1296 G CA 0.011 45.137 45.100 0.043 0.000 0.980 1296 G HN 0.447 nan 8.290 nan 0.000 0.550 1297 Q N 0.093 119.901 119.800 0.013 0.000 2.280 1297 Q HA 0.322 4.663 4.340 0.001 0.000 0.201 1297 Q C 0.796 176.786 176.000 -0.016 0.000 0.890 1297 Q CA 0.306 56.103 55.803 -0.010 0.000 0.947 1297 Q CB 1.001 29.729 28.738 -0.016 0.000 1.081 1297 Q HN 0.453 nan 8.270 nan 0.000 0.502 1298 V N 1.834 121.760 119.914 0.021 0.000 2.432 1298 V HA 0.124 4.245 4.120 0.001 0.000 0.271 1298 V C 0.733 176.842 176.094 0.025 0.000 1.046 1298 V CA 0.022 62.333 62.300 0.018 0.000 0.945 1298 V CB 1.286 33.154 31.823 0.076 0.000 0.992 1298 V HN -0.034 nan 8.190 nan 0.000 0.471 1299 K N 2.746 123.112 120.400 -0.056 0.000 2.358 1299 K HA 0.467 4.787 4.320 0.001 0.000 0.200 1299 K C 0.455 177.038 176.600 -0.029 0.000 1.030 1299 K CA 0.349 56.605 56.287 -0.053 0.000 1.097 1299 K CB 1.006 33.447 32.500 -0.098 0.000 0.862 1299 K HN 0.920 nan 8.250 nan 0.000 0.534 1300 G N -0.860 107.927 108.800 -0.023 0.000 2.411 1300 G HA2 0.422 4.382 3.960 0.001 0.000 0.295 1300 G HA3 0.422 4.382 3.960 0.001 0.000 0.295 1300 G C -1.845 173.185 174.900 0.217 0.000 1.542 1300 G CA -0.675 44.488 45.100 0.105 0.000 0.814 1300 G HN -0.160 nan 8.290 nan 0.000 0.557 1301 V N 0.951 121.066 119.914 0.336 0.000 2.525 1301 V HA 0.656 4.776 4.120 0.001 0.000 0.299 1301 V C 0.074 176.318 176.094 0.249 0.000 1.034 1301 V CA -0.909 61.580 62.300 0.314 0.000 0.863 1301 V CB 1.565 33.465 31.823 0.128 0.000 0.999 1301 V HN 0.842 nan 8.190 nan 0.000 0.423 1302 R N 3.371 123.980 120.500 0.181 0.000 2.856 1302 R HA 0.746 5.086 4.340 0.001 0.000 0.258 1302 R C -1.241 175.023 176.300 -0.059 0.000 1.066 1302 R CA -0.956 55.092 56.100 -0.087 0.000 1.045 1302 R CB 2.091 32.126 30.300 -0.442 0.000 1.178 1302 R HN 0.510 nan 8.270 nan 0.000 0.499 1303 L N 2.027 123.195 121.223 -0.092 0.000 2.318 1303 L HA 0.368 4.708 4.340 0.001 0.000 0.277 1303 L C -1.028 175.788 176.870 -0.090 0.000 1.008 1303 L CA -0.824 53.975 54.840 -0.068 0.000 0.846 1303 L CB 1.864 43.891 42.059 -0.053 0.000 1.220 1303 L HN 0.311 nan 8.230 nan 0.000 0.423 1304 V N 4.909 124.774 119.914 -0.082 0.000 2.432 1304 V HA 0.206 4.326 4.120 0.001 0.000 0.275 1304 V C 0.214 176.277 176.094 -0.052 0.000 1.043 1304 V CA -0.463 61.785 62.300 -0.086 0.000 0.925 1304 V CB 1.858 33.634 31.823 -0.079 0.000 0.985 1304 V HN 0.358 nan 8.190 nan 0.000 0.466 1305 V N 6.382 126.269 119.914 -0.046 0.000 2.334 1305 V HA 0.365 4.486 4.120 0.001 0.000 0.267 1305 V C 0.088 176.174 176.094 -0.013 0.000 1.040 1305 V CA -0.653 61.634 62.300 -0.022 0.000 0.866 1305 V CB 0.604 32.422 31.823 -0.009 0.000 1.019 1305 V HN 0.843 nan 8.190 nan 0.000 0.468 1306 N N 4.901 123.595 118.700 -0.009 0.000 2.405 1306 N HA 0.576 5.316 4.740 0.001 0.000 0.299 1306 N C -0.643 174.872 175.510 0.010 0.000 1.075 1306 N CA -0.491 52.559 53.050 -0.000 0.000 0.884 1306 N CB 2.769 41.255 38.487 -0.003 0.000 1.194 1306 N HN 0.453 nan 8.380 nan 0.000 0.491 1307 I N 1.745 122.330 120.570 0.025 0.000 2.331 1307 I HA 0.218 4.388 4.170 0.001 0.000 0.292 1307 I C 0.838 176.978 176.117 0.040 0.000 0.998 1307 I CA -0.640 60.687 61.300 0.046 0.000 1.267 1307 I CB 0.962 39.009 38.000 0.077 0.000 1.386 1307 I HN 0.163 nan 8.210 nan 0.000 0.476 1308 R N 4.967 125.474 120.500 0.011 0.000 2.537 1308 R HA -0.054 4.287 4.340 0.001 0.000 0.281 1308 R C 0.512 176.863 176.300 0.084 0.000 0.988 1308 R CA -0.160 55.949 56.100 0.014 0.000 1.077 1308 R CB 0.434 30.686 30.300 -0.081 0.000 0.932 1308 R HN 0.585 nan 8.270 nan 0.000 0.409 1309 D N 1.965 122.407 120.400 0.071 0.000 2.182 1309 D HA -0.140 4.501 4.640 0.001 0.000 0.201 1309 D C 1.231 177.584 176.300 0.089 0.000 0.986 1309 D CA 1.690 55.731 54.000 0.069 0.000 0.847 1309 D CB 0.153 40.977 40.800 0.041 0.000 0.942 1309 D HN 0.566 nan 8.370 nan 0.000 0.467 1310 T N 0.425 115.057 114.554 0.131 0.000 2.612 1310 T HA -0.139 4.212 4.350 0.001 0.000 0.259 1310 T C 1.662 176.453 174.700 0.152 0.000 1.065 1310 T CA 1.177 63.345 62.100 0.114 0.000 1.167 1310 T CB -0.646 68.319 68.868 0.161 0.000 0.863 1310 T HN 0.231 nan 8.240 nan 0.000 0.407 1311 H N 0.804 119.903 119.070 0.049 0.000 2.518 1311 H HA 0.079 4.635 4.556 0.001 0.000 0.292 1311 H C 2.478 177.894 175.328 0.146 0.000 1.068 1311 H CA 0.919 56.977 56.048 0.018 0.000 1.275 1311 H CB -0.559 29.036 29.762 -0.278 0.000 1.375 1311 H HN 0.262 nan 8.280 nan 0.000 0.563 1312 S N -0.274 115.571 115.700 0.240 0.000 2.399 1312 S HA -0.090 4.380 4.470 0.001 0.000 0.231 1312 S C 1.906 176.584 174.600 0.131 0.000 1.022 1312 S CA 1.088 59.392 58.200 0.173 0.000 0.983 1312 S CB -0.182 63.087 63.200 0.116 0.000 0.803 1312 S HN 0.413 nan 8.310 nan 0.000 0.480 1313 I N 0.655 121.286 120.570 0.102 0.000 2.400 1313 I HA 0.010 4.180 4.170 0.001 0.000 0.248 1313 I C 2.330 178.494 176.117 0.077 0.000 1.109 1313 I CA 0.530 61.869 61.300 0.064 0.000 1.425 1313 I CB -0.399 37.613 38.000 0.021 0.000 1.094 1313 I HN 0.266 nan 8.210 nan 0.000 0.425 1314 L N 1.063 122.345 121.223 0.098 0.000 2.042 1314 L HA -0.224 4.117 4.340 0.001 0.000 0.210 1314 L C 2.486 179.447 176.870 0.152 0.000 1.076 1314 L CA 1.699 56.608 54.840 0.114 0.000 0.749 1314 L CB -0.124 42.011 42.059 0.126 0.000 0.893 1314 L HN 0.242 nan 8.230 nan 0.000 0.432 1315 L N -0.044 121.302 121.223 0.205 0.000 2.275 1315 L HA -0.212 4.128 4.340 0.001 0.000 0.215 1315 L C 2.359 179.294 176.870 0.108 0.000 1.119 1315 L CA 0.992 55.935 54.840 0.173 0.000 0.790 1315 L CB -0.709 41.461 42.059 0.185 0.000 0.919 1315 L HN 0.473 nan 8.230 nan 0.000 0.443 1316 N N 0.515 119.271 118.700 0.094 0.000 2.300 1316 N HA -0.099 4.641 4.740 0.001 0.000 0.179 1316 N C 1.795 177.340 175.510 0.058 0.000 1.016 1316 N CA 1.218 54.308 53.050 0.066 0.000 0.876 1316 N CB 0.285 38.805 38.487 0.055 0.000 0.979 1316 N HN 0.273 nan 8.380 nan 0.000 0.432 1317 A N 1.768 124.625 122.820 0.062 0.000 1.841 1317 A HA 0.004 4.325 4.320 0.001 0.000 0.214 1317 A C 2.312 179.934 177.584 0.064 0.000 1.195 1317 A CA 0.774 52.843 52.037 0.053 0.000 0.611 1317 A CB -0.911 18.117 19.000 0.046 0.000 0.835 1317 A HN 0.320 nan 8.150 nan 0.000 0.443 1318 L N 0.138 121.410 121.223 0.082 0.000 2.551 1318 L HA -0.145 4.195 4.340 0.001 0.000 0.230 1318 L C 2.217 179.136 176.870 0.083 0.000 1.163 1318 L CA 0.954 55.853 54.840 0.099 0.000 0.826 1318 L CB -0.340 41.795 42.059 0.128 0.000 0.943 1318 L HN 0.367 nan 8.230 nan 0.000 0.452 1319 S N -1.111 114.629 115.700 0.066 0.000 2.694 1319 S HA 0.031 4.501 4.470 0.001 0.000 0.225 1319 S C 0.985 175.611 174.600 0.043 0.000 1.012 1319 S CA 0.185 58.417 58.200 0.052 0.000 0.896 1319 S CB 0.208 63.437 63.200 0.047 0.000 0.838 1319 S HN 0.382 nan 8.310 nan 0.000 0.604 1320 D N 1.526 121.950 120.400 0.040 0.000 2.388 1320 D HA 0.296 4.937 4.640 0.001 0.000 0.221 1320 D C 0.179 176.497 176.300 0.031 0.000 1.133 1320 D CA 0.216 54.236 54.000 0.032 0.000 0.831 1320 D CB 0.517 41.334 40.800 0.028 0.000 0.962 1320 D HN 0.399 nan 8.370 nan 0.000 0.502 1336 F N 3.467 123.469 119.950 0.086 0.000 2.084 1336 F HA -0.006 4.521 4.527 0.000 0.000 0.296 1336 F C 2.293 178.159 175.800 0.110 0.000 1.111 1336 F CA 2.034 60.107 58.000 0.122 0.000 1.224 1336 F CB -0.537 38.593 39.000 0.216 0.000 0.991 1336 F HN 0.176 nan 8.300 nan 0.000 0.471 1337 S N -0.173 115.594 115.700 0.113 0.000 2.387 1337 S HA -0.305 4.165 4.470 0.001 0.000 0.230 1337 S C 1.985 176.525 174.600 -0.101 0.000 1.035 1337 S CA 1.579 59.764 58.200 -0.026 0.000 1.014 1337 S CB -0.584 62.654 63.200 0.063 0.000 0.836 1337 S HN 0.596 nan 8.310 nan 0.000 0.466 1338 E N 1.107 121.280 120.200 -0.046 0.000 2.106 1338 E HA -0.129 4.221 4.350 0.001 0.000 0.192 1338 E C 2.116 178.660 176.600 -0.092 0.000 0.984 1338 E CA 0.861 57.234 56.400 -0.045 0.000 0.806 1338 E CB -0.230 29.469 29.700 -0.001 0.000 0.750 1338 E HN 0.488 nan 8.360 nan 0.000 0.458 1339 A N 1.470 124.194 122.820 -0.159 0.000 1.834 1339 A HA -0.206 4.115 4.320 0.001 0.000 0.216 1339 A C 2.228 179.675 177.584 -0.228 0.000 1.203 1339 A CA 1.580 53.498 52.037 -0.199 0.000 0.621 1339 A CB -1.039 17.777 19.000 -0.306 0.000 0.841 1339 A HN 0.331 nan 8.150 nan 0.000 0.446 1340 L N -0.641 120.353 121.223 -0.382 0.000 2.089 1340 L HA -0.302 4.039 4.340 0.001 0.000 0.213 1340 L C 3.086 179.886 176.870 -0.117 0.000 1.079 1340 L CA 1.189 55.880 54.840 -0.248 0.000 0.758 1340 L CB -0.696 41.192 42.059 -0.285 0.000 0.891 1340 L HN 0.501 nan 8.230 nan 0.000 0.433 1341 A N -0.282 122.468 122.820 -0.116 0.000 1.927 1341 A HA -0.277 4.044 4.320 0.001 0.000 0.220 1341 A C 2.309 179.894 177.584 0.002 0.000 1.185 1341 A CA 2.133 54.141 52.037 -0.049 0.000 0.639 1341 A CB -0.382 18.590 19.000 -0.048 0.000 0.820 1341 A HN 0.335 nan 8.150 nan 0.000 0.451 1342 M N -0.752 118.833 119.600 -0.024 0.000 2.123 1342 M HA 0.016 4.497 4.480 0.001 0.000 0.263 1342 M C 2.251 178.548 176.300 -0.004 0.000 1.069 1342 M CA 1.159 56.452 55.300 -0.012 0.000 1.133 1342 M CB -1.538 31.049 32.600 -0.021 0.000 1.356 1342 M HN 0.392 nan 8.290 nan 0.000 0.415 1343 L N -1.193 120.024 121.223 -0.010 0.000 2.043 1343 L HA -0.274 4.066 4.340 0.001 0.000 0.212 1343 L C 2.648 179.529 176.870 0.018 0.000 1.075 1343 L CA 1.574 56.415 54.840 0.000 0.000 0.752 1343 L CB -1.073 40.986 42.059 -0.001 0.000 0.891 1343 L HN 0.161 nan 8.230 nan 0.000 0.432 1344 Y N 1.114 121.347 120.300 -0.112 0.000 2.097 1344 Y HA -0.290 4.261 4.550 0.000 0.000 0.282 1344 Y C 2.586 178.424 175.900 -0.104 0.000 1.152 1344 Y CA 1.635 59.651 58.100 -0.141 0.000 1.136 1344 Y CB -0.208 38.144 38.460 -0.179 0.000 0.975 1344 Y HN 0.030 nan 8.280 nan 0.000 0.498 1345 K N -0.217 120.168 120.400 -0.024 0.000 2.009 1345 K HA -0.217 4.103 4.320 0.001 0.000 0.210 1345 K C 2.115 178.652 176.600 -0.104 0.000 1.049 1345 K CA 1.874 58.113 56.287 -0.081 0.000 0.929 1345 K CB -0.336 32.153 32.500 -0.018 0.000 0.714 1345 K HN 0.264 nan 8.250 nan 0.000 0.440 1346 R N 0.510 120.970 120.500 -0.067 0.000 2.174 1346 R HA -0.145 4.196 4.340 0.001 0.000 0.253 1346 R C 1.002 177.253 176.300 -0.083 0.000 1.165 1346 R CA 1.205 57.270 56.100 -0.058 0.000 0.984 1346 R CB -0.517 29.761 30.300 -0.036 0.000 0.873 1346 R HN 0.262 nan 8.270 nan 0.000 0.456 1363 E N 0.959 121.138 120.200 -0.035 0.000 2.515 1363 E HA -0.005 4.345 4.350 0.001 0.000 0.201 1363 E C 1.500 178.090 176.600 -0.017 0.000 1.071 1363 E CA 0.827 57.222 56.400 -0.008 0.000 0.880 1363 E CB -0.072 29.642 29.700 0.024 0.000 0.828 1363 E HN 0.587 nan 8.360 nan 0.000 0.540 1364 E N -0.114 120.057 120.200 -0.049 0.000 2.482 1364 E HA -0.060 4.290 4.350 0.001 0.000 0.196 1364 E C 1.196 177.777 176.600 -0.031 0.000 1.047 1364 E CA 0.259 56.631 56.400 -0.046 0.000 0.869 1364 E CB 0.224 29.874 29.700 -0.083 0.000 0.836 1364 E HN 0.393 nan 8.360 nan 0.000 0.520 1365 L N 0.519 121.714 121.223 -0.047 0.000 2.700 1365 L HA 0.091 4.432 4.340 0.001 0.000 0.234 1365 L C 1.022 178.037 176.870 0.242 0.000 1.156 1365 L CA -0.098 54.764 54.840 0.037 0.000 0.946 1365 L CB 0.338 42.309 42.059 -0.147 0.000 1.216 1365 L HN 0.102 nan 8.230 nan 0.000 0.493 1366 L N -1.091 120.201 121.223 0.116 0.000 2.672 1366 L HA 0.196 4.536 4.340 0.001 0.000 0.236 1366 L C 0.491 177.405 176.870 0.074 0.000 1.092 1366 L CA 0.647 55.496 54.840 0.016 0.000 0.887 1366 L CB 0.176 42.171 42.059 -0.107 0.000 1.168 1366 L HN 0.004 nan 8.230 nan 0.000 0.502 1367 D N -1.178 119.307 120.400 0.143 0.000 2.380 1367 D HA 0.031 4.671 4.640 0.001 0.000 0.230 1367 D C 1.268 177.704 176.300 0.227 0.000 1.154 1367 D CA -0.333 53.757 54.000 0.150 0.000 0.859 1367 D CB 0.666 41.507 40.800 0.067 0.000 1.045 1367 D HN 0.219 nan 8.370 nan 0.000 0.495 1368 Y N 4.918 125.243 120.300 0.042 0.000 2.193 1368 Y HA -0.238 4.312 4.550 0.001 0.000 0.285 1368 Y C 1.862 177.834 175.900 0.119 0.000 1.166 1368 Y CA 1.592 59.692 58.100 0.000 0.000 1.181 1368 Y CB -0.727 37.665 38.460 -0.112 0.000 0.976 1368 Y HN 0.404 nan 8.280 nan 0.000 0.520 1369 R N 0.376 120.347 120.500 -0.882 0.000 2.249 1369 R HA -0.140 4.201 4.340 0.001 0.000 0.230 1369 R C 1.035 177.190 176.300 -0.242 0.000 1.121 1369 R CA 1.497 57.192 56.100 -0.676 0.000 0.997 1369 R CB -0.821 29.125 30.300 -0.590 0.000 0.867 1369 R HN 0.378 nan 8.270 nan 0.000 0.465 1370 N N -0.192 118.454 118.700 -0.089 0.000 2.461 1370 N HA -0.031 4.710 4.740 0.001 0.000 0.188 1370 N C 0.354 175.679 175.510 -0.308 0.000 1.134 1370 N CA 0.695 53.676 53.050 -0.115 0.000 0.878 1370 N CB 0.137 38.596 38.487 -0.047 0.000 0.972 1370 N HN 0.337 nan 8.380 nan 0.000 0.456 1371 Y N 0.323 120.452 120.300 -0.285 0.000 2.464 1371 Y HA 0.211 4.761 4.550 0.001 0.000 0.288 1371 Y C 0.893 176.653 175.900 -0.233 0.000 1.133 1371 Y CA -0.300 57.610 58.100 -0.316 0.000 1.223 1371 Y CB -0.186 38.253 38.460 -0.035 0.000 1.187 1371 Y HN -0.143 nan 8.280 nan 0.000 0.539 1372 L N 0.620 121.854 121.223 0.018 0.000 2.473 1372 L HA 0.132 4.472 4.340 0.001 0.000 0.265 1372 L C -0.468 176.363 176.870 -0.064 0.000 1.243 1372 L CA 0.739 55.571 54.840 -0.014 0.000 0.822 1372 L CB 0.073 42.118 42.059 -0.022 0.000 1.101 1372 L HN 0.059 nan 8.230 nan 0.000 0.507 1373 D N -0.183 120.194 120.400 -0.039 0.000 2.318 1373 D HA 0.338 4.978 4.640 0.001 0.000 0.233 1373 D C -0.770 175.514 176.300 -0.026 0.000 1.348 1373 D CA -0.269 53.706 54.000 -0.041 0.000 0.983 1373 D CB 0.477 41.254 40.800 -0.038 0.000 1.416 1373 D HN 0.267 nan 8.370 nan 0.000 0.558 1374 L N 1.564 122.771 121.223 -0.027 0.000 2.468 1374 L HA 0.468 4.808 4.340 0.001 0.000 0.253 1374 L C 0.403 177.259 176.870 -0.023 0.000 1.237 1374 L CA 0.148 54.973 54.840 -0.024 0.000 0.823 1374 L CB 0.580 42.625 42.059 -0.023 0.000 1.124 1374 L HN 0.451 nan 8.230 nan 0.000 0.504 1375 E N -0.108 120.077 120.200 -0.026 0.000 2.879 1375 E HA 0.183 4.533 4.350 0.001 0.000 0.345 1375 E C -1.793 174.796 176.600 -0.018 0.000 0.955 1375 E CA -0.367 56.021 56.400 -0.020 0.000 0.801 1375 E CB 1.489 31.182 29.700 -0.012 0.000 1.324 1375 E HN 0.216 nan 8.360 nan 0.000 0.417 1376 V N 3.317 123.222 119.914 -0.016 0.000 2.775 1376 V HA 0.333 4.453 4.120 0.001 0.000 0.299 1376 V C 0.186 176.303 176.094 0.039 0.000 1.062 1376 V CA 0.237 62.536 62.300 -0.003 0.000 1.063 1376 V CB 1.415 33.226 31.823 -0.020 0.000 0.994 1376 V HN 0.638 nan 8.190 nan 0.000 0.483 1377 E N 0.952 121.208 120.200 0.093 0.000 2.340 1377 E HA 0.552 4.902 4.350 0.001 0.000 0.273 1377 E C -1.004 175.787 176.600 0.318 0.000 0.891 1377 E CA -0.659 55.864 56.400 0.204 0.000 0.757 1377 E CB 2.469 32.323 29.700 0.256 0.000 1.231 1377 E HN 0.841 nan 8.360 nan 0.000 0.439 1378 T N -0.566 114.135 114.554 0.246 0.000 2.885 1378 T HA 0.585 4.936 4.350 0.001 0.000 0.285 1378 T C -0.676 173.984 174.700 -0.067 0.000 1.019 1378 T CA -0.872 61.302 62.100 0.124 0.000 1.010 1378 T CB 1.192 70.082 68.868 0.036 0.000 1.022 1378 T HN 0.218 nan 8.240 nan 0.000 0.466 1379 L N 2.466 123.473 121.223 -0.360 0.000 2.313 1379 L HA 0.507 4.847 4.340 0.001 0.000 0.273 1379 L C -0.144 176.506 176.870 -0.367 0.000 1.028 1379 L CA -0.497 53.908 54.840 -0.725 0.000 0.871 1379 L CB 0.305 41.542 42.059 -1.370 0.000 1.242 1379 L HN 0.629 nan 8.230 nan 0.000 0.434 1380 R N 2.774 123.128 120.500 -0.242 0.000 2.474 1380 R HA 0.437 4.778 4.340 0.001 0.000 0.295 1380 R C 1.060 177.281 176.300 -0.132 0.000 0.980 1380 R CA -0.209 55.811 56.100 -0.134 0.000 0.934 1380 R CB 1.264 31.525 30.300 -0.064 0.000 1.101 1380 R HN 0.788 nan 8.270 nan 0.000 0.469 1381 G N 1.092 109.833 108.800 -0.099 0.000 2.894 1381 G HA2 -0.094 3.866 3.960 0.001 0.000 0.203 1381 G HA3 -0.094 3.866 3.960 0.001 0.000 0.203 1381 G C 0.678 175.548 174.900 -0.051 0.000 1.173 1381 G CA 0.870 45.920 45.100 -0.082 0.000 0.854 1381 G HN 0.649 nan 8.290 nan 0.000 0.510 1382 A N -0.200 122.604 122.820 -0.027 0.000 2.213 1382 A HA 0.436 4.757 4.320 0.001 0.000 0.220 1382 A C 1.316 178.938 177.584 0.063 0.000 2.232 1382 A CA -0.029 52.025 52.037 0.029 0.000 1.017 1382 A CB -0.097 18.943 19.000 0.066 0.000 1.372 1382 A HN 0.173 nan 8.150 nan 0.000 0.614 1383 Y N 1.343 121.611 120.300 -0.052 0.000 2.496 1383 Y HA 0.347 4.897 4.550 0.001 0.000 0.313 1383 Y C 1.690 177.566 175.900 -0.040 0.000 1.184 1383 Y CA 0.296 58.377 58.100 -0.031 0.000 1.275 1383 Y CB -0.302 38.150 38.460 -0.013 0.000 1.103 1383 Y HN 0.745 nan 8.280 nan 0.000 0.513 1384 G N 0.248 109.027 108.800 -0.034 0.000 2.601 1384 G HA2 -0.371 3.590 3.960 0.001 0.000 0.306 1384 G HA3 -0.371 3.590 3.960 0.001 0.000 0.306 1384 G C -0.358 174.392 174.900 -0.251 0.000 1.172 1384 G CA 0.272 45.280 45.100 -0.154 0.000 0.966 1384 G HN 0.362 nan 8.290 nan 0.000 0.542 1385 W N 1.097 122.431 121.300 0.056 0.000 2.283 1385 W HA 0.803 5.463 4.660 0.001 0.000 0.317 1385 W C 0.463 177.026 176.519 0.073 0.000 1.042 1385 W CA -0.798 56.579 57.345 0.052 0.000 1.348 1385 W CB 1.034 30.513 29.460 0.032 0.000 1.216 1385 W HN 0.244 nan 8.180 nan 0.000 0.404 1386 M N 2.600 122.341 119.600 0.235 0.000 2.598 1386 M HA 0.392 4.872 4.480 0.001 0.000 0.317 1386 M C 0.244 176.628 176.300 0.140 0.000 1.179 1386 M CA -1.276 54.123 55.300 0.164 0.000 0.936 1386 M CB 2.057 34.709 32.600 0.087 0.000 1.713 1386 M HN 0.398 nan 8.290 nan 0.000 0.460 1387 R N 1.338 121.894 120.500 0.093 0.000 2.489 1387 R HA 0.366 4.706 4.340 0.001 0.000 0.287 1387 R C -0.300 176.024 176.300 0.039 0.000 1.053 1387 R CA -0.087 56.052 56.100 0.064 0.000 1.036 1387 R CB 0.509 30.831 30.300 0.037 0.000 0.966 1387 R HN 0.798 nan 8.270 nan 0.000 0.432 1388 A N 4.322 127.163 122.820 0.035 0.000 2.561 1388 A HA -0.004 4.316 4.320 0.001 0.000 0.251 1388 A C -0.211 177.367 177.584 -0.011 0.000 1.062 1388 A CA 0.312 52.354 52.037 0.009 0.000 0.761 1388 A CB 0.111 19.109 19.000 -0.003 0.000 0.986 1388 A HN 0.753 nan 8.150 nan 0.000 0.510 1389 E N 2.491 122.681 120.200 -0.017 0.000 2.281 1389 E HA 0.449 4.800 4.350 0.001 0.000 0.266 1389 E C 0.610 177.192 176.600 -0.030 0.000 0.893 1389 E CA -0.148 56.237 56.400 -0.025 0.000 0.798 1389 E CB 0.933 30.619 29.700 -0.024 0.000 1.245 1389 E HN 0.398 nan 8.360 nan 0.000 0.410 1390 S N 2.169 117.849 115.700 -0.033 0.000 2.389 1390 S HA -0.250 4.221 4.470 0.001 0.000 0.229 1390 S C 1.639 176.221 174.600 -0.030 0.000 1.048 1390 S CA 1.929 60.108 58.200 -0.034 0.000 1.117 1390 S CB -0.471 62.708 63.200 -0.035 0.000 1.020 1390 S HN 0.633 nan 8.310 nan 0.000 0.430 1391 S N 1.541 117.224 115.700 -0.029 0.000 2.409 1391 S HA -0.211 4.260 4.470 0.001 0.000 0.237 1391 S C 1.711 176.294 174.600 -0.029 0.000 1.060 1391 S CA 1.354 59.537 58.200 -0.028 0.000 1.052 1391 S CB -0.437 62.746 63.200 -0.028 0.000 0.871 1391 S HN 0.695 nan 8.310 nan 0.000 0.465 1392 A N -0.277 122.525 122.820 -0.031 0.000 2.423 1392 A HA 0.556 4.876 4.320 0.001 0.000 0.246 1392 A C 0.342 177.908 177.584 -0.029 0.000 1.278 1392 A CA -0.202 51.815 52.037 -0.033 0.000 0.903 1392 A CB 0.148 19.124 19.000 -0.040 0.000 0.997 1392 A HN 0.356 nan 8.150 nan 0.000 0.510 1393 L N 0.385 121.592 121.223 -0.026 0.000 2.341 1393 L HA 0.437 4.777 4.340 0.001 0.000 0.267 1393 L C 0.692 177.550 176.870 -0.020 0.000 1.009 1393 L CA -0.805 54.021 54.840 -0.023 0.000 0.819 1393 L CB 2.255 44.298 42.059 -0.028 0.000 1.323 1393 L HN 0.335 nan 8.230 nan 0.000 0.425 1394 S N -0.334 115.358 115.700 -0.013 0.000 2.634 1394 S HA 0.149 4.620 4.470 0.001 0.000 0.261 1394 S C 0.953 175.547 174.600 -0.011 0.000 1.271 1394 S CA -0.262 57.932 58.200 -0.009 0.000 0.985 1394 S CB 1.306 64.505 63.200 -0.002 0.000 0.968 1394 S HN 0.649 nan 8.310 nan 0.000 0.568 1395 T N 1.433 115.982 114.554 -0.008 0.000 2.684 1395 T HA -0.010 4.340 4.350 0.001 0.000 0.267 1395 T C 2.031 176.729 174.700 -0.003 0.000 1.036 1395 T CA 1.798 63.893 62.100 -0.008 0.000 1.148 1395 T CB -1.232 67.633 68.868 -0.004 0.000 0.863 1395 T HN 0.852 nan 8.240 nan 0.000 0.436 1396 G N 1.428 110.236 108.800 0.013 0.000 2.446 1396 G HA2 -0.214 3.746 3.960 0.001 0.000 0.217 1396 G HA3 -0.214 3.746 3.960 0.001 0.000 0.217 1396 G C 1.433 176.361 174.900 0.046 0.000 1.168 1396 G CA 0.837 45.961 45.100 0.040 0.000 0.771 1396 G HN 0.568 nan 8.290 nan 0.000 0.551 1397 E N 0.723 120.942 120.200 0.033 0.000 2.152 1397 E HA 0.102 4.452 4.350 0.001 0.000 0.192 1397 E C 2.867 179.421 176.600 -0.077 0.000 0.983 1397 E CA 0.518 56.926 56.400 0.012 0.000 0.818 1397 E CB -0.173 29.540 29.700 0.021 0.000 0.758 1397 E HN 0.403 nan 8.360 nan 0.000 0.467 1398 A N 1.647 124.433 122.820 -0.057 0.000 1.883 1398 A HA -0.201 4.119 4.320 0.001 0.000 0.217 1398 A C 2.223 179.740 177.584 -0.111 0.000 1.186 1398 A CA 1.267 53.260 52.037 -0.073 0.000 0.624 1398 A CB -0.619 18.353 19.000 -0.048 0.000 0.822 1398 A HN 0.139 nan 8.150 nan 0.000 0.444 1399 I N -0.587 119.923 120.570 -0.101 0.000 2.163 1399 I HA -0.156 4.014 4.170 0.001 0.000 0.240 1399 I C 2.666 178.626 176.117 -0.261 0.000 1.081 1399 I CA 1.175 62.404 61.300 -0.119 0.000 1.353 1399 I CB -0.766 37.205 38.000 -0.049 0.000 1.054 1399 I HN 0.397 nan 8.210 nan 0.000 0.407 1400 G N -0.190 108.364 108.800 -0.409 0.000 2.535 1400 G HA2 -0.162 3.799 3.960 0.001 0.000 0.218 1400 G HA3 -0.162 3.799 3.960 0.001 0.000 0.218 1400 G C 1.564 175.793 174.900 -1.117 0.000 1.122 1400 G CA 1.165 45.522 45.100 -1.239 0.000 0.769 1400 G HN 0.292 nan 8.290 nan 0.000 0.549 1401 T N 0.292 114.536 114.554 -0.518 0.000 2.837 1401 T HA 0.098 4.448 4.350 0.001 0.000 0.248 1401 T C 2.570 177.123 174.700 -0.245 0.000 1.033 1401 T CA 1.020 62.932 62.100 -0.313 0.000 1.150 1401 T CB -0.465 68.301 68.868 -0.169 0.000 0.865 1401 T HN 0.273 nan 8.240 nan 0.000 0.425 1402 G N 1.555 110.230 108.800 -0.207 0.000 2.440 1402 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 1402 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 1402 G C 1.602 176.394 174.900 -0.180 0.000 1.154 1402 G CA 1.289 46.288 45.100 -0.169 0.000 0.767 1402 G HN 0.342 nan 8.290 nan 0.000 0.552 1403 M N 1.178 120.654 119.600 -0.207 0.000 2.144 1403 M HA -0.063 4.417 4.480 0.001 0.000 0.260 1403 M C 2.611 178.816 176.300 -0.158 0.000 1.067 1403 M CA 1.763 56.959 55.300 -0.174 0.000 1.095 1403 M CB -0.255 32.238 32.600 -0.178 0.000 1.365 1403 M HN 0.163 nan 8.290 nan 0.000 0.406 1404 S N 0.157 115.740 115.700 -0.195 0.000 2.355 1404 S HA -0.054 4.416 4.470 0.001 0.000 0.222 1404 S C 1.794 176.332 174.600 -0.104 0.000 1.031 1404 S CA 1.387 59.515 58.200 -0.120 0.000 0.993 1404 S CB -0.410 62.722 63.200 -0.113 0.000 0.859 1404 S HN 0.474 nan 8.310 nan 0.000 0.453 1405 I N 1.529 122.025 120.570 -0.124 0.000 2.151 1405 I HA -0.166 4.005 4.170 0.001 0.000 0.243 1405 I C 2.255 178.279 176.117 -0.154 0.000 1.080 1405 I CA 1.148 62.371 61.300 -0.127 0.000 1.339 1405 I CB -1.560 36.353 38.000 -0.146 0.000 1.039 1405 I HN 0.244 nan 8.210 nan 0.000 0.409 1406 L N 0.566 121.689 121.223 -0.167 0.000 2.013 1406 L HA -0.211 4.130 4.340 0.001 0.000 0.212 1406 L C 2.612 179.378 176.870 -0.173 0.000 1.073 1406 L CA 1.747 56.474 54.840 -0.188 0.000 0.753 1406 L CB -0.896 41.062 42.059 -0.168 0.000 0.890 1406 L HN 0.170 nan 8.230 nan 0.000 0.432 1407 L N -1.859 119.290 121.223 -0.123 0.000 2.042 1407 L HA -0.303 4.037 4.340 0.001 0.000 0.210 1407 L C 2.549 179.361 176.870 -0.096 0.000 1.076 1407 L CA 1.564 56.350 54.840 -0.090 0.000 0.749 1407 L CB -0.461 41.569 42.059 -0.048 0.000 0.893 1407 L HN 0.346 nan 8.230 nan 0.000 0.432 1408 M N -1.029 118.510 119.600 -0.103 0.000 2.117 1408 M HA -0.171 4.309 4.480 0.001 0.000 0.262 1408 M C 2.303 178.508 176.300 -0.158 0.000 1.065 1408 M CA 1.360 56.601 55.300 -0.098 0.000 1.114 1408 M CB -0.510 32.040 32.600 -0.083 0.000 1.361 1408 M HN 0.122 nan 8.290 nan 0.000 0.408 1409 V N -0.365 119.398 119.914 -0.253 0.000 2.343 1409 V HA -0.199 3.921 4.120 0.001 0.000 0.247 1409 V C 2.393 178.166 176.094 -0.534 0.000 1.051 1409 V CA 1.510 63.528 62.300 -0.470 0.000 1.036 1409 V CB -0.881 30.586 31.823 -0.594 0.000 0.654 1409 V HN 0.263 nan 8.190 nan 0.000 0.451 1410 V N -0.315 119.414 119.914 -0.309 0.000 2.295 1410 V HA -0.289 3.832 4.120 0.001 0.000 0.246 1410 V C 2.606 178.719 176.094 0.032 0.000 1.049 1410 V CA 2.056 64.312 62.300 -0.074 0.000 1.024 1410 V CB -0.677 31.133 31.823 -0.022 0.000 0.648 1410 V HN 0.578 nan 8.190 nan 0.000 0.447 1411 Q N -0.579 119.213 119.800 -0.013 0.000 2.096 1411 Q HA -0.229 4.111 4.340 0.001 0.000 0.204 1411 Q C 2.542 178.572 176.000 0.050 0.000 0.982 1411 Q CA 1.986 57.803 55.803 0.022 0.000 0.850 1411 Q CB -0.416 28.322 28.738 -0.001 0.000 0.901 1411 Q HN 0.614 nan 8.270 nan 0.000 0.422 1412 S N -0.169 115.537 115.700 0.010 0.000 2.353 1412 S HA -0.162 4.308 4.470 0.001 0.000 0.222 1412 S C 1.495 176.204 174.600 0.182 0.000 1.035 1412 S CA 1.040 59.267 58.200 0.045 0.000 1.025 1412 S CB -0.188 62.987 63.200 -0.042 0.000 0.902 1412 S HN 0.446 nan 8.310 nan 0.000 0.440 1413 W N 1.837 123.167 121.300 0.051 0.000 2.353 1413 W HA -0.005 4.655 4.660 0.001 0.000 0.319 1413 W C 2.573 179.123 176.519 0.051 0.000 1.207 1413 W CA 1.004 58.378 57.345 0.049 0.000 1.291 1413 W CB -1.526 27.975 29.460 0.068 0.000 1.159 1413 W HN 0.576 nan 8.180 nan 0.000 0.478 1414 E N 0.231 120.622 120.200 0.319 0.000 2.097 1414 E HA -0.275 4.076 4.350 0.001 0.000 0.196 1414 E C 2.039 178.721 176.600 0.136 0.000 1.000 1414 E CA 1.897 58.414 56.400 0.195 0.000 0.804 1414 E CB -0.316 29.473 29.700 0.150 0.000 0.740 1414 E HN 0.078 nan 8.360 nan 0.000 0.454 1415 E N 0.919 121.193 120.200 0.123 0.000 2.158 1415 E HA -0.202 4.148 4.350 0.001 0.000 0.191 1415 E C 1.788 178.443 176.600 0.091 0.000 0.982 1415 E CA 0.961 57.413 56.400 0.086 0.000 0.823 1415 E CB -0.079 29.662 29.700 0.068 0.000 0.766 1415 E HN 0.488 nan 8.360 nan 0.000 0.468 1416 E N -0.065 120.208 120.200 0.121 0.000 2.409 1416 E HA -0.060 4.291 4.350 0.001 0.000 0.198 1416 E C 0.827 177.481 176.600 0.090 0.000 1.024 1416 E CA 0.722 57.187 56.400 0.109 0.000 0.861 1416 E CB 0.185 29.973 29.700 0.147 0.000 0.788 1416 E HN 0.030 nan 8.360 nan 0.000 0.521 1417 S N -0.224 115.540 115.700 0.107 0.000 2.539 1417 S HA 0.190 4.660 4.470 0.001 0.000 0.221 1417 S C 1.248 175.914 174.600 0.110 0.000 0.987 1417 S CA -0.513 57.764 58.200 0.129 0.000 0.929 1417 S CB 0.244 63.566 63.200 0.203 0.000 0.832 1417 S HN 0.228 nan 8.310 nan 0.000 0.492 1418 R N 1.512 122.055 120.500 0.070 0.000 2.170 1418 R HA -0.030 4.311 4.340 0.001 0.000 0.242 1418 R C 2.011 178.329 176.300 0.030 0.000 1.145 1418 R CA 0.926 57.048 56.100 0.037 0.000 0.984 1418 R CB -0.150 30.167 30.300 0.027 0.000 0.869 1418 R HN 0.216 nan 8.270 nan 0.000 0.455 1419 R N 0.491 121.018 120.500 0.045 0.000 2.078 1419 R HA 0.023 4.363 4.340 0.001 0.000 0.224 1419 R C 1.953 178.282 176.300 0.048 0.000 1.149 1419 R CA 1.088 57.211 56.100 0.037 0.000 0.916 1419 R CB -0.622 29.701 30.300 0.038 0.000 0.821 1419 R HN 0.170 nan 8.270 nan 0.000 0.434 1420 M N 1.199 120.854 119.600 0.092 0.000 2.771 1420 M HA -0.052 4.428 4.480 0.001 0.000 0.246 1420 M C 0.694 177.066 176.300 0.121 0.000 1.054 1420 M CA 0.746 56.133 55.300 0.145 0.000 1.068 1420 M CB -0.813 31.922 32.600 0.225 0.000 1.452 1420 M HN 0.063 nan 8.290 nan 0.000 0.549 1421 R N -0.789 119.719 120.500 0.012 0.000 2.888 1421 R HA 0.674 5.015 4.340 0.001 0.000 0.266 1421 R C -0.379 175.857 176.300 -0.107 0.000 1.020 1421 R CA -0.327 55.687 56.100 -0.144 0.000 0.963 1421 R CB 1.985 32.175 30.300 -0.184 0.000 1.197 1421 R HN 0.141 nan 8.270 nan 0.000 0.481 1422 A N 1.397 124.130 122.820 -0.145 0.000 2.297 1422 A HA 0.063 4.383 4.320 0.001 0.000 0.279 1422 A C 0.127 177.665 177.584 -0.075 0.000 1.219 1422 A CA 0.504 52.481 52.037 -0.100 0.000 0.827 1422 A CB 0.235 19.167 19.000 -0.113 0.000 1.129 1422 A HN 0.784 nan 8.150 nan 0.000 0.511 1423 K N -0.403 119.961 120.400 -0.059 0.000 2.413 1423 K HA 0.103 4.423 4.320 0.001 0.000 0.204 1423 K C -0.635 175.938 176.600 -0.046 0.000 1.041 1423 K CA 0.519 56.779 56.287 -0.045 0.000 1.082 1423 K CB 0.486 32.967 32.500 -0.032 0.000 0.871 1423 K HN 0.756 nan 8.250 nan 0.000 0.535 1424 D N 0.671 121.036 120.400 -0.058 0.000 2.650 1424 D HA 0.121 4.761 4.640 0.001 0.000 0.265 1424 D C -0.128 176.129 176.300 -0.072 0.000 1.339 1424 D CA -0.204 53.763 54.000 -0.055 0.000 0.816 1424 D CB 0.131 40.901 40.800 -0.050 0.000 1.091 1424 D HN 0.045 nan 8.370 nan 0.000 0.483 1425 I N 0.677 121.197 120.570 -0.084 0.000 2.478 1425 I HA 0.338 4.508 4.170 0.001 0.000 0.287 1425 I C -0.973 175.087 176.117 -0.094 0.000 1.042 1425 I CA -0.750 60.485 61.300 -0.108 0.000 1.067 1425 I CB 2.326 40.231 38.000 -0.158 0.000 1.233 1425 I HN -0.183 nan 8.210 nan 0.000 0.431 1426 L N 8.427 129.601 121.223 -0.081 0.000 2.372 1426 L HA 0.478 4.818 4.340 0.001 0.000 0.273 1426 L C -2.125 174.707 176.870 -0.063 0.000 0.989 1426 L CA -1.723 53.084 54.840 -0.056 0.000 0.841 1426 L CB 1.972 44.010 42.059 -0.036 0.000 1.225 1426 L HN 0.309 nan 8.230 nan 0.000 0.414 1427 P HA -0.098 nan 4.420 nan 0.000 0.269 1427 P C -0.316 176.964 177.300 -0.035 0.000 1.200 1427 P CA -0.219 62.851 63.100 -0.050 0.000 0.779 1427 P CB 0.585 32.292 31.700 0.012 0.000 0.841 1428 C N 1.839 121.102 119.300 -0.063 0.000 2.649 1428 C HA 0.358 4.818 4.460 0.001 0.000 0.377 1428 C C 1.157 176.208 174.990 0.103 0.000 1.321 1428 C CA -0.244 58.748 59.018 -0.042 0.000 2.368 1428 C CB -0.494 27.080 27.740 -0.276 0.000 2.597 1428 C HN 0.519 nan 8.230 nan 0.000 0.678 1429 R N 1.299 121.877 120.500 0.130 0.000 2.569 1429 R HA 0.587 4.928 4.340 0.001 0.000 0.293 1429 R C -1.594 174.726 176.300 0.033 0.000 1.186 1429 R CA -0.336 55.821 56.100 0.095 0.000 0.956 1429 R CB 1.289 31.615 30.300 0.043 0.000 1.196 1429 R HN 0.737 nan 8.270 nan 0.000 0.444 1430 L N 3.569 124.764 121.223 -0.048 0.000 2.436 1430 L HA 0.611 4.951 4.340 0.001 0.000 0.268 1430 L C -1.857 174.671 176.870 -0.571 0.000 0.974 1430 L CA -0.985 53.675 54.840 -0.300 0.000 0.826 1430 L CB 1.718 43.547 42.059 -0.384 0.000 1.291 1430 L HN 0.373 nan 8.230 nan 0.000 0.406 1431 L N 3.839 124.702 121.223 -0.600 0.000 2.354 1431 L HA 0.642 4.982 4.340 0.001 0.000 0.264 1431 L C -0.605 175.817 176.870 -0.746 0.000 1.008 1431 L CA -0.073 54.358 54.840 -0.681 0.000 0.819 1431 L CB 1.994 43.853 42.059 -0.333 0.000 1.339 1431 L HN 0.434 nan 8.230 nan 0.000 0.420 1432 F N 1.787 121.568 119.950 -0.281 0.000 2.403 1432 F HA 0.758 5.286 4.527 0.001 0.000 0.326 1432 F C -0.147 175.561 175.800 -0.153 0.000 1.099 1432 F CA -0.877 56.970 58.000 -0.255 0.000 1.036 1432 F CB 0.775 39.589 39.000 -0.310 0.000 1.336 1432 F HN 0.174 nan 8.300 nan 0.000 0.497 1433 L N 1.662 122.958 121.223 0.122 0.000 2.847 1433 L HA 0.298 4.638 4.340 0.001 0.000 0.243 1433 L C -1.566 175.341 176.870 0.062 0.000 0.978 1433 L CA -0.235 54.647 54.840 0.070 0.000 1.030 1433 L CB 0.327 42.430 42.059 0.075 0.000 1.351 1433 L HN 0.496 nan 8.230 nan 0.000 0.512 1434 D N 3.285 123.709 120.400 0.040 0.000 2.255 1434 D HA 0.362 5.003 4.640 0.001 0.000 0.249 1434 D C -0.256 176.079 176.300 0.059 0.000 1.078 1434 D CA 0.711 54.734 54.000 0.038 0.000 0.896 1434 D CB 1.128 41.939 40.800 0.018 0.000 1.194 1434 D HN 0.499 nan 8.370 nan 0.000 0.429 1435 Q N 1.240 121.076 119.800 0.059 0.000 2.457 1435 Q HA -0.195 4.145 4.340 0.001 0.000 0.333 1435 Q C 0.352 176.383 176.000 0.051 0.000 1.448 1435 Q CA 0.785 56.621 55.803 0.056 0.000 0.891 1435 Q CB -1.955 26.818 28.738 0.058 0.000 1.142 1435 Q HN 0.577 nan 8.270 nan 0.000 0.375 1436 A N 0.118 122.970 122.820 0.055 0.000 2.014 1436 A HA 0.165 4.485 4.320 0.001 0.000 0.218 1436 A C 2.130 179.736 177.584 0.038 0.000 1.163 1436 A CA 1.412 53.481 52.037 0.054 0.000 0.652 1436 A CB -0.170 18.872 19.000 0.071 0.000 0.808 1436 A HN 0.779 nan 8.150 nan 0.000 0.449 1437 A N 0.316 123.157 122.820 0.034 0.000 2.093 1437 A HA -0.246 4.074 4.320 0.001 0.000 0.222 1437 A C 2.128 179.722 177.584 0.017 0.000 1.162 1437 A CA 1.682 53.731 52.037 0.022 0.000 0.655 1437 A CB -0.545 18.469 19.000 0.023 0.000 0.805 1437 A HN 0.605 nan 8.150 nan 0.000 0.461 1438 R N -1.499 119.015 120.500 0.023 0.000 2.105 1438 R HA -0.049 4.291 4.340 0.001 0.000 0.239 1438 R C -0.201 176.112 176.300 0.022 0.000 1.135 1438 R CA 0.469 56.582 56.100 0.021 0.000 0.967 1438 R CB -0.446 29.868 30.300 0.025 0.000 0.861 1438 R HN 0.352 nan 8.270 nan 0.000 0.442 1439 L N 2.124 123.362 121.223 0.025 0.000 2.371 1439 L HA 0.031 4.371 4.340 0.001 0.000 0.272 1439 L C 0.313 177.179 176.870 -0.007 0.000 1.124 1439 L CA -0.057 54.799 54.840 0.027 0.000 0.816 1439 L CB 0.603 42.685 42.059 0.038 0.000 1.129 1439 L HN 0.161 nan 8.230 nan 0.000 0.448 1440 D N 1.852 122.242 120.400 -0.016 0.000 2.312 1440 D HA 0.201 4.841 4.640 0.001 0.000 0.248 1440 D C 0.777 177.030 176.300 -0.078 0.000 1.086 1440 D CA -0.083 53.893 54.000 -0.039 0.000 0.948 1440 D CB 1.332 42.112 40.800 -0.034 0.000 1.162 1440 D HN 0.527 nan 8.370 nan 0.000 0.446 1441 A N 1.835 124.602 122.820 -0.089 0.000 1.997 1441 A HA -0.277 4.043 4.320 0.001 0.000 0.221 1441 A C 2.058 179.547 177.584 -0.159 0.000 1.172 1441 A CA 2.522 54.481 52.037 -0.129 0.000 0.645 1441 A CB -0.741 18.198 19.000 -0.100 0.000 0.813 1441 A HN 0.657 nan 8.150 nan 0.000 0.454 1442 M N -0.190 119.332 119.600 -0.130 0.000 2.117 1442 M HA -0.061 4.419 4.480 0.001 0.000 0.262 1442 M C 2.116 178.286 176.300 -0.218 0.000 1.065 1442 M CA 2.404 57.614 55.300 -0.152 0.000 1.114 1442 M CB -0.703 31.826 32.600 -0.118 0.000 1.361 1442 M HN 0.231 nan 8.290 nan 0.000 0.408 1443 S N 0.270 115.855 115.700 -0.192 0.000 2.368 1443 S HA -0.026 4.444 4.470 0.001 0.000 0.224 1443 S C 1.956 176.414 174.600 -0.236 0.000 1.029 1443 S CA 1.387 59.441 58.200 -0.243 0.000 0.988 1443 S CB -0.602 62.600 63.200 0.004 0.000 0.838 1443 S HN 0.660 nan 8.310 nan 0.000 0.462 1444 I N 1.562 122.009 120.570 -0.205 0.000 2.454 1444 I HA -0.237 3.933 4.170 0.001 0.000 0.254 1444 I C 1.832 177.640 176.117 -0.515 0.000 1.156 1444 I CA 1.244 62.349 61.300 -0.324 0.000 1.433 1444 I CB -0.133 37.631 38.000 -0.393 0.000 1.082 1444 I HN 0.231 nan 8.210 nan 0.000 0.432 1445 N N 0.144 118.611 118.700 -0.389 0.000 2.171 1445 N HA -0.136 4.604 4.740 0.001 0.000 0.184 1445 N C 1.611 177.015 175.510 -0.177 0.000 1.021 1445 N CA 1.896 54.769 53.050 -0.295 0.000 0.854 1445 N CB -0.062 38.303 38.487 -0.204 0.000 0.994 1445 N HN 0.265 nan 8.380 nan 0.000 0.426 1446 T N 0.687 115.070 114.554 -0.284 0.000 2.833 1446 T HA -0.081 4.270 4.350 0.001 0.000 0.269 1446 T C 1.875 176.537 174.700 -0.063 0.000 1.054 1446 T CA 0.582 62.494 62.100 -0.314 0.000 1.135 1446 T CB -0.146 68.198 68.868 -0.874 0.000 0.869 1446 T HN 0.177 nan 8.240 nan 0.000 0.466 1447 L N -0.460 120.795 121.223 0.053 0.000 2.007 1447 L HA -0.017 4.324 4.340 0.001 0.000 0.205 1447 L C 2.344 179.399 176.870 0.308 0.000 1.073 1447 L CA 1.411 56.411 54.840 0.268 0.000 0.744 1447 L CB -0.349 41.894 42.059 0.306 0.000 0.898 1447 L HN 0.158 nan 8.230 nan 0.000 0.435 1448 F N 0.685 120.642 119.950 0.011 0.000 2.065 1448 F HA -0.316 4.212 4.527 0.001 0.000 0.298 1448 F C 2.666 178.463 175.800 -0.004 0.000 1.112 1448 F CA 1.882 59.881 58.000 -0.001 0.000 1.212 1448 F CB -0.942 38.053 39.000 -0.008 0.000 0.975 1448 F HN 0.222 nan 8.300 nan 0.000 0.476 1449 E N 0.042 120.360 120.200 0.197 0.000 2.153 1449 E HA -0.167 4.183 4.350 0.001 0.000 0.194 1449 E C 2.346 178.990 176.600 0.074 0.000 0.988 1449 E CA 0.621 57.079 56.400 0.097 0.000 0.811 1449 E CB -0.146 29.582 29.700 0.048 0.000 0.746 1449 E HN 0.362 nan 8.360 nan 0.000 0.466 1450 L N -0.124 121.153 121.223 0.091 0.000 2.056 1450 L HA -0.194 4.146 4.340 0.001 0.000 0.207 1450 L C 2.533 179.439 176.870 0.060 0.000 1.078 1450 L CA 0.819 55.708 54.840 0.082 0.000 0.749 1450 L CB -0.295 41.838 42.059 0.123 0.000 0.901 1450 L HN 0.402 nan 8.230 nan 0.000 0.433 1451 C N -0.463 118.875 119.300 0.063 0.000 2.440 1451 C HA -0.113 4.347 4.460 0.001 0.000 0.278 1451 C C 2.638 177.627 174.990 -0.002 0.000 1.295 1451 C CA 0.298 59.325 59.018 0.015 0.000 1.738 1451 C CB -0.606 27.127 27.740 -0.011 0.000 1.987 1451 C HN 0.481 nan 8.230 nan 0.000 0.492 1452 E N 0.686 120.890 120.200 0.007 0.000 2.038 1452 E HA -0.209 4.141 4.350 0.001 0.000 0.195 1452 E C 2.400 179.004 176.600 0.006 0.000 1.000 1452 E CA 1.267 57.666 56.400 -0.001 0.000 0.803 1452 E CB -0.212 29.496 29.700 0.013 0.000 0.750 1452 E HN 0.611 nan 8.360 nan 0.000 0.448 1453 R N 0.093 120.603 120.500 0.017 0.000 2.083 1453 R HA -0.135 4.205 4.340 0.001 0.000 0.237 1453 R C 2.066 178.372 176.300 0.011 0.000 1.137 1453 R CA 0.972 57.081 56.100 0.016 0.000 0.951 1453 R CB -0.240 30.073 30.300 0.023 0.000 0.851 1453 R HN 0.068 nan 8.270 nan 0.000 0.434 1454 L N 1.027 122.257 121.223 0.010 0.000 2.627 1454 L HA 0.020 4.361 4.340 0.001 0.000 0.233 1454 L C -0.243 176.627 176.870 -0.000 0.000 1.144 1454 L CA 0.394 55.237 54.840 0.006 0.000 0.892 1454 L CB -0.529 41.533 42.059 0.005 0.000 1.039 1454 L HN 0.152 nan 8.230 nan 0.000 0.442 1455 D N 0.811 121.209 120.400 -0.004 0.000 3.082 1455 D HA -0.272 4.368 4.640 0.001 0.000 0.234 1455 D C -0.209 176.082 176.300 -0.014 0.000 1.159 1455 D CA 0.830 54.824 54.000 -0.009 0.000 0.875 1455 D CB -0.376 40.421 40.800 -0.005 0.000 0.946 1455 D HN 0.232 nan 8.370 nan 0.000 0.411 1456 M N 1.485 121.068 119.600 -0.027 0.000 2.572 1456 M HA 0.331 4.811 4.480 0.001 0.000 0.299 1456 M C -0.793 175.465 176.300 -0.070 0.000 1.205 1456 M CA -0.744 54.532 55.300 -0.041 0.000 0.876 1456 M CB 1.782 34.354 32.600 -0.047 0.000 1.728 1456 M HN 0.064 nan 8.290 nan 0.000 0.458 1457 Q N 2.993 122.746 119.800 -0.079 0.000 2.235 1457 Q HA 0.637 4.977 4.340 0.001 0.000 0.250 1457 Q C -1.467 174.406 176.000 -0.212 0.000 0.909 1457 Q CA -0.408 55.324 55.803 -0.118 0.000 0.910 1457 Q CB 2.077 30.775 28.738 -0.067 0.000 1.223 1457 Q HN 0.635 nan 8.270 nan 0.000 0.432 1458 L N 2.704 123.792 121.223 -0.225 0.000 2.381 1458 L HA 0.528 4.868 4.340 0.001 0.000 0.268 1458 L C -1.340 175.398 176.870 -0.221 0.000 0.997 1458 L CA -1.036 53.657 54.840 -0.244 0.000 0.818 1458 L CB 1.942 43.885 42.059 -0.194 0.000 1.310 1458 L HN 0.417 nan 8.230 nan 0.000 0.416 1459 L N 5.195 126.289 121.223 -0.215 0.000 2.427 1459 L HA 0.550 4.891 4.340 0.001 0.000 0.264 1459 L C -0.675 176.205 176.870 0.016 0.000 0.989 1459 L CA -0.170 54.615 54.840 -0.093 0.000 0.865 1459 L CB 1.322 43.283 42.059 -0.163 0.000 1.209 1459 L HN 0.415 nan 8.230 nan 0.000 0.430 1460 I N 1.833 122.436 120.570 0.055 0.000 2.441 1460 I HA 0.919 5.090 4.170 0.001 0.000 0.295 1460 I C -0.197 175.975 176.117 0.093 0.000 0.994 1460 I CA -0.844 60.509 61.300 0.088 0.000 1.144 1460 I CB 2.077 40.155 38.000 0.130 0.000 1.314 1460 I HN 0.645 nan 8.210 nan 0.000 0.445 1461 A N 5.056 127.923 122.820 0.078 0.000 2.260 1461 A HA 0.795 5.116 4.320 0.001 0.000 0.308 1461 A C 0.064 177.692 177.584 0.074 0.000 1.254 1461 A CA -0.506 51.574 52.037 0.072 0.000 0.874 1461 A CB 0.611 19.641 19.000 0.049 0.000 1.153 1461 A HN 1.047 nan 8.150 nan 0.000 0.527 1462 A N 5.172 128.039 122.820 0.079 0.000 2.273 1462 A HA 0.678 4.998 4.320 0.001 0.000 0.320 1462 A C -1.508 176.114 177.584 0.062 0.000 1.358 1462 A CA -1.594 50.484 52.037 0.069 0.000 0.910 1462 A CB 0.531 19.575 19.000 0.072 0.000 1.159 1462 A HN 0.597 nan 8.150 nan 0.000 0.526 1463 P HA -0.131 nan 4.420 nan 0.000 0.228 1463 P C 0.435 177.761 177.300 0.044 0.000 1.151 1463 P CA 0.761 63.890 63.100 0.049 0.000 0.770 1463 P CB 0.326 32.052 31.700 0.043 0.000 0.786 1464 E N 0.698 120.923 120.200 0.043 0.000 2.342 1464 E HA 0.099 4.450 4.350 0.001 0.000 0.257 1464 E C 0.141 176.766 176.600 0.041 0.000 1.150 1464 E CA -0.521 55.901 56.400 0.036 0.000 0.926 1464 E CB 0.393 30.111 29.700 0.030 0.000 1.074 1464 E HN -0.059 nan 8.360 nan 0.000 0.449 1465 N N 2.563 121.283 118.700 0.033 0.000 2.538 1465 N HA 0.266 5.007 4.740 0.001 0.000 0.291 1465 N C -0.973 174.552 175.510 0.026 0.000 1.323 1465 N CA 0.131 53.201 53.050 0.034 0.000 0.934 1465 N CB 0.370 38.875 38.487 0.029 0.000 1.255 1465 N HN 0.346 nan 8.380 nan 0.000 0.509 1466 I N 0.704 121.290 120.570 0.028 0.000 2.576 1466 I HA 0.087 4.257 4.170 0.001 0.000 0.279 1466 I C 0.162 176.298 176.117 0.033 0.000 1.114 1466 I CA -0.412 60.901 61.300 0.021 0.000 1.076 1466 I CB 1.268 39.276 38.000 0.013 0.000 1.212 1466 I HN -0.043 nan 8.210 nan 0.000 0.472 1467 S N 5.290 121.014 115.700 0.040 0.000 2.646 1467 S HA 0.732 5.202 4.470 0.001 0.000 0.273 1467 S C -2.477 172.168 174.600 0.074 0.000 1.168 1467 S CA -0.959 57.281 58.200 0.065 0.000 1.013 1467 S CB 0.572 63.814 63.200 0.070 0.000 1.098 1467 S HN 0.253 nan 8.310 nan 0.000 0.544 1468 P HA 0.434 nan 4.420 nan 0.000 0.280 1468 P C -0.135 177.241 177.300 0.126 0.000 1.272 1468 P CA -0.597 62.601 63.100 0.163 0.000 0.819 1468 P CB 0.541 32.460 31.700 0.365 0.000 1.122 1469 E N -0.193 120.083 120.200 0.127 0.000 2.474 1469 E HA 0.046 4.396 4.350 0.001 0.000 0.195 1469 E C -0.181 176.488 176.600 0.115 0.000 1.039 1469 E CA -0.007 56.458 56.400 0.108 0.000 0.881 1469 E CB 0.274 30.032 29.700 0.096 0.000 0.970 1469 E HN 0.262 nan 8.360 nan 0.000 0.486 1470 R N 0.317 120.895 120.500 0.130 0.000 2.204 1470 R HA 0.449 4.789 4.340 0.001 0.000 0.341 1470 R C 0.104 176.403 176.300 -0.002 0.000 1.035 1470 R CA 0.313 56.457 56.100 0.073 0.000 0.887 1470 R CB 1.434 31.793 30.300 0.097 0.000 1.114 1470 R HN 0.248 nan 8.270 nan 0.000 0.473 1471 G N 1.477 110.277 108.800 0.001 0.000 2.447 1471 G HA2 -0.207 3.754 3.960 0.001 0.000 0.220 1471 G HA3 -0.207 3.754 3.960 0.001 0.000 0.220 1471 G C -0.712 174.183 174.900 -0.008 0.000 1.261 1471 G CA -0.998 44.086 45.100 -0.026 0.000 1.000 1471 G HN 0.417 nan 8.290 nan 0.000 0.515 1472 T N 0.877 115.404 114.554 -0.045 0.000 2.907 1472 T HA 0.689 5.040 4.350 0.001 0.000 0.284 1472 T C -0.114 174.504 174.700 -0.137 0.000 1.004 1472 T CA 0.367 62.398 62.100 -0.114 0.000 1.063 1472 T CB 1.517 70.254 68.868 -0.219 0.000 0.992 1472 T HN 0.784 nan 8.240 nan 0.000 0.483 1473 T N 2.797 117.255 114.554 -0.160 0.000 2.881 1473 T HA 0.425 4.775 4.350 0.001 0.000 0.291 1473 T C -1.211 173.465 174.700 -0.039 0.000 0.990 1473 T CA -0.443 61.620 62.100 -0.063 0.000 0.976 1473 T CB 0.473 69.348 68.868 0.012 0.000 0.970 1473 T HN 0.488 nan 8.240 nan 0.000 0.438 1474 Y N 2.086 122.480 120.300 0.157 0.000 2.331 1474 Y HA 0.464 5.015 4.550 0.001 0.000 0.338 1474 Y C 0.530 176.528 175.900 0.164 0.000 0.992 1474 Y CA -1.095 57.115 58.100 0.183 0.000 1.121 1474 Y CB 1.587 40.249 38.460 0.336 0.000 1.184 1474 Y HN 0.351 nan 8.280 nan 0.000 0.469 1475 K N 4.749 125.334 120.400 0.309 0.000 2.293 1475 K HA 0.458 4.779 4.320 0.001 0.000 0.267 1475 K C -1.844 174.856 176.600 0.166 0.000 1.010 1475 K CA -0.648 55.755 56.287 0.193 0.000 0.875 1475 K CB 0.567 33.144 32.500 0.128 0.000 1.106 1475 K HN 0.519 nan 8.250 nan 0.000 0.450 1476 L N 3.973 125.298 121.223 0.169 0.000 2.322 1476 L HA 0.477 4.817 4.340 0.001 0.000 0.279 1476 L C -0.724 176.188 176.870 0.070 0.000 1.036 1476 L CA -0.769 54.153 54.840 0.136 0.000 0.807 1476 L CB 1.874 44.054 42.059 0.203 0.000 1.226 1476 L HN 0.284 nan 8.230 nan 0.000 0.433 1477 V N 2.463 122.386 119.914 0.015 0.000 2.501 1477 V HA 0.349 4.470 4.120 0.001 0.000 0.277 1477 V C -0.071 175.968 176.094 -0.091 0.000 1.004 1477 V CA -0.736 61.560 62.300 -0.006 0.000 0.862 1477 V CB 1.336 33.180 31.823 0.035 0.000 1.035 1477 V HN 0.709 nan 8.190 nan 0.000 0.448 1478 R N 4.292 124.739 120.500 -0.088 0.000 2.343 1478 R HA 0.363 4.703 4.340 0.001 0.000 0.326 1478 R C -0.014 176.228 176.300 -0.097 0.000 1.055 1478 R CA 0.221 56.243 56.100 -0.130 0.000 0.961 1478 R CB 0.380 30.630 30.300 -0.085 0.000 0.978 1478 R HN 0.644 nan 8.270 nan 0.000 0.443 1479 K N 3.820 124.144 120.400 -0.127 0.000 2.354 1479 K HA 0.522 4.842 4.320 0.001 0.000 0.238 1479 K C -0.448 176.176 176.600 0.040 0.000 1.068 1479 K CA -0.892 55.376 56.287 -0.032 0.000 0.925 1479 K CB 1.349 33.847 32.500 -0.003 0.000 1.286 1479 K HN 0.421 nan 8.250 nan 0.000 0.500 1480 I N 2.113 122.723 120.570 0.067 0.000 2.447 1480 I HA 0.334 4.505 4.170 0.001 0.000 0.287 1480 I C -1.527 174.631 176.117 0.068 0.000 1.023 1480 I CA -0.889 60.450 61.300 0.065 0.000 1.083 1480 I CB 1.732 39.750 38.000 0.030 0.000 1.245 1480 I HN 0.338 nan 8.210 nan 0.000 0.434 1481 L N 6.314 127.574 121.223 0.062 0.000 2.464 1481 L HA 0.794 5.134 4.340 0.001 0.000 0.266 1481 L C 0.396 177.256 176.870 -0.017 0.000 0.965 1481 L CA 0.048 54.895 54.840 0.012 0.000 0.833 1481 L CB 1.924 43.969 42.059 -0.023 0.000 1.296 1481 L HN 0.792 nan 8.230 nan 0.000 0.405 1482 A N 3.676 126.479 122.820 -0.027 0.000 2.832 1482 A HA -0.241 4.079 4.320 0.001 0.000 0.280 1482 A C 0.947 178.517 177.584 -0.022 0.000 1.464 1482 A CA 1.179 53.195 52.037 -0.034 0.000 0.804 1482 A CB -2.451 16.515 19.000 -0.055 0.000 1.020 1482 A HN 1.207 nan 8.150 nan 0.000 0.563 1483 N N -1.954 116.740 118.700 -0.009 0.000 2.681 1483 N HA -0.203 4.537 4.740 0.001 0.000 0.250 1483 N C 0.056 175.566 175.510 0.001 0.000 1.133 1483 N CA 2.046 55.094 53.050 -0.002 0.000 0.732 1483 N CB -0.691 37.792 38.487 -0.006 0.000 1.107 1483 N HN 0.990 nan 8.380 nan 0.000 0.559 1484 Q N -0.004 119.800 119.800 0.006 0.000 2.351 1484 Q HA 0.347 4.687 4.340 0.001 0.000 0.273 1484 Q C -0.268 175.758 176.000 0.043 0.000 1.077 1484 Q CA -0.788 55.023 55.803 0.013 0.000 0.843 1484 Q CB 1.555 30.291 28.738 -0.004 0.000 1.367 1484 Q HN 0.031 nan 8.270 nan 0.000 0.449 1485 E N 1.536 121.760 120.200 0.040 0.000 2.324 1485 E HA 0.040 4.390 4.350 0.001 0.000 0.271 1485 E C -1.273 175.384 176.600 0.094 0.000 1.028 1485 E CA 0.218 56.642 56.400 0.040 0.000 0.890 1485 E CB 0.569 30.275 29.700 0.011 0.000 1.004 1485 E HN 0.420 nan 8.360 nan 0.000 0.431 1486 Y N 2.662 122.928 120.300 -0.058 0.000 2.333 1486 Y HA 0.238 4.788 4.550 0.000 0.000 0.324 1486 Y C -1.343 174.504 175.900 -0.088 0.000 1.033 1486 Y CA -0.932 57.133 58.100 -0.060 0.000 1.224 1486 Y CB 0.622 39.070 38.460 -0.019 0.000 1.120 1486 Y HN 0.155 nan 8.280 nan 0.000 0.457 1487 V N 6.616 126.175 119.914 -0.592 0.000 2.455 1487 V HA 0.078 4.198 4.120 0.001 0.000 0.273 1487 V C -0.285 175.375 176.094 -0.722 0.000 1.045 1487 V CA -0.274 61.615 62.300 -0.686 0.000 0.976 1487 V CB 0.144 31.444 31.823 -0.872 0.000 0.993 1487 V HN 0.774 nan 8.190 nan 0.000 0.475 1488 H N 4.708 123.343 119.070 -0.725 0.000 2.820 1488 H HA 0.477 5.033 4.556 0.001 0.000 0.278 1488 H C -0.493 174.749 175.328 -0.145 0.000 1.142 1488 H CA -0.203 55.584 56.048 -0.435 0.000 1.346 1488 H CB 0.685 30.250 29.762 -0.329 0.000 1.438 1488 H HN 0.432 nan 8.280 nan 0.000 0.473 1489 V N 5.930 125.676 119.914 -0.280 0.000 2.539 1489 V HA 0.348 4.469 4.120 0.001 0.000 0.292 1489 V C -0.301 175.650 176.094 -0.238 0.000 1.045 1489 V CA -0.718 61.476 62.300 -0.177 0.000 0.945 1489 V CB 1.688 33.395 31.823 -0.193 0.000 0.993 1489 V HN 0.528 nan 8.190 nan 0.000 0.464 1490 V N 3.333 123.206 119.914 -0.067 0.000 2.532 1490 V HA 0.627 4.747 4.120 0.001 0.000 0.294 1490 V C 0.439 176.655 176.094 0.203 0.000 1.036 1490 V CA -0.298 62.005 62.300 0.006 0.000 0.876 1490 V CB 1.748 33.572 31.823 0.002 0.000 1.012 1490 V HN 1.008 nan 8.190 nan 0.000 0.432 1491 G N 4.123 113.122 108.800 0.332 0.000 2.451 1491 G HA2 0.794 4.754 3.960 0.001 0.000 0.303 1491 G HA3 0.794 4.754 3.960 0.001 0.000 0.303 1491 G C -1.096 173.922 174.900 0.197 0.000 1.166 1491 G CA -0.461 44.927 45.100 0.480 0.000 0.884 1491 G HN 0.567 nan 8.290 nan 0.000 0.514 1492 L N 0.132 121.414 121.223 0.099 0.000 2.466 1492 L HA 0.677 5.018 4.340 0.001 0.000 0.258 1492 L C -0.575 176.379 176.870 0.139 0.000 0.973 1492 L CA -0.949 53.981 54.840 0.151 0.000 0.826 1492 L CB 2.893 45.001 42.059 0.081 0.000 1.372 1492 L HN 0.895 nan 8.230 nan 0.000 0.409 1493 K N 0.376 120.939 120.400 0.272 0.000 2.660 1493 K HA 0.670 4.991 4.320 0.001 0.000 0.285 1493 K C -0.062 176.620 176.600 0.137 0.000 0.997 1493 K CA -0.153 56.248 56.287 0.190 0.000 0.861 1493 K CB 1.691 34.221 32.500 0.051 0.000 1.469 1493 K HN 0.647 nan 8.250 nan 0.000 0.395 1494 G N 0.354 109.188 108.800 0.058 0.000 2.307 1494 G HA2 -0.168 3.792 3.960 0.001 0.000 0.210 1494 G HA3 -0.168 3.792 3.960 0.001 0.000 0.210 1494 G C -0.536 174.255 174.900 -0.182 0.000 1.005 1494 G CA -0.178 44.843 45.100 -0.131 0.000 0.634 1494 G HN 0.403 nan 8.290 nan 0.000 0.496 1495 F N 2.307 122.262 119.950 0.009 0.000 2.502 1495 F HA 0.519 5.046 4.527 0.001 0.000 0.371 1495 F C 1.206 177.016 175.800 0.015 0.000 1.083 1495 F CA 1.045 59.054 58.000 0.014 0.000 1.174 1495 F CB 0.975 39.986 39.000 0.018 0.000 1.096 1495 F HN 0.797 nan 8.300 nan 0.000 0.545 1496 G N 0.000 108.877 108.800 0.129 0.000 5.446 1496 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 1496 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 1496 G CA 0.000 45.154 45.100 0.090 0.000 0.502 1496 G HN 0.000 nan 8.290 nan 0.000 0.925