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 1p16_1_A DATA FIRST_RESID 2 DATA SEQUENCE VQLEEREIPV IPGNKLDEEE TKELRLXVAE LLGRRNTGFP GSQPVSFERR DATA SEQUENCE HLEETLXQKD YFVCEKTDGL RCLLFLINDP DKGEGVFLVT RENDYYFIPN DATA SEQUENCE IHFPLSVNET REKPTYHHGT LLDGELVLEN RNVSEPVLRY VIFDALAIHG DATA SEQUENCE KCIIDRPLPK RLGYITENVX KPFDNFKKHN PDIVNSPEFP FKVGFKTXLT DATA SEQUENCE SYHADDVLSK XDKLFHASDG LIYTCAETPY VFGTDQTLLK WKPAEENTVD DATA SEQUENCE FQLEFVFNEV QDPDLDERDP TSTYLDYDAK PNLIKLRVWQ GSNVHTDFAK DATA SEQUENCE LDLSDDDWER LKALEQPLQG RIAECRQSTT KKGYWEXLRF RNDKSNGNHI DATA SEQUENCE SVVEKILVSI KDGVKEKEVI EWCPKISRAW KKRENDRRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.113 176.094 0.032 0.000 1.182 2 V CA 0.000 62.315 62.300 0.025 0.000 1.235 2 V CB 0.000 31.834 31.823 0.018 0.000 1.184 3 Q N 4.113 123.928 119.800 0.025 0.000 2.402 3 Q HA 0.403 4.743 4.340 -0.000 0.000 0.238 3 Q C 0.709 176.750 176.000 0.069 0.000 1.126 3 Q CA 0.046 55.873 55.803 0.040 0.000 0.904 3 Q CB 1.049 29.805 28.738 0.030 0.000 1.357 3 Q HN 0.704 nan 8.270 nan 0.000 0.491 4 L N 0.834 122.108 121.223 0.085 0.000 2.034 4 L HA -0.000 4.340 4.340 -0.000 0.000 0.203 4 L C 1.196 178.129 176.870 0.106 0.000 1.074 4 L CA 0.571 55.487 54.840 0.128 0.000 0.748 4 L CB -0.189 41.934 42.059 0.106 0.000 0.905 4 L HN 0.546 nan 8.230 nan 0.000 0.439 5 E N 2.207 122.448 120.200 0.069 0.000 2.465 5 E HA -0.057 4.293 4.350 -0.000 0.000 0.260 5 E C -0.303 176.329 176.600 0.053 0.000 0.980 5 E CA -0.286 56.146 56.400 0.053 0.000 0.927 5 E CB 0.477 30.201 29.700 0.040 0.000 0.934 5 E HN 0.217 nan 8.360 nan 0.000 0.459 6 E N 5.451 125.679 120.200 0.047 0.000 2.392 6 E HA 0.041 4.391 4.350 -0.000 0.000 0.264 6 E C -0.317 176.302 176.600 0.032 0.000 1.024 6 E CA -0.698 55.727 56.400 0.042 0.000 0.903 6 E CB 0.488 30.208 29.700 0.034 0.000 0.963 6 E HN 0.392 nan 8.360 nan 0.000 0.432 7 R N 2.881 123.398 120.500 0.028 0.000 2.538 7 R HA 0.033 4.373 4.340 -0.000 0.000 0.282 7 R C -0.361 175.951 176.300 0.019 0.000 1.009 7 R CA 0.214 56.326 56.100 0.021 0.000 1.063 7 R CB -0.301 30.007 30.300 0.013 0.000 0.945 7 R HN 0.593 nan 8.270 nan 0.000 0.414 8 E N 2.168 122.381 120.200 0.021 0.000 2.376 8 E HA 0.089 4.439 4.350 -0.000 0.000 0.266 8 E C -0.116 176.494 176.600 0.017 0.000 1.009 8 E CA -0.011 56.402 56.400 0.022 0.000 0.902 8 E CB 0.839 30.556 29.700 0.028 0.000 0.972 8 E HN 0.509 nan 8.360 nan 0.000 0.439 9 I N 4.715 125.293 120.570 0.014 0.000 2.354 9 I HA 0.313 4.483 4.170 -0.000 0.000 0.286 9 I C -2.392 173.729 176.117 0.007 0.000 1.007 9 I CA -2.588 58.717 61.300 0.007 0.000 1.167 9 I CB 0.980 38.981 38.000 0.003 0.000 1.320 9 I HN 0.306 nan 8.210 nan 0.000 0.458 10 P HA 0.005 nan 4.420 nan 0.000 0.266 10 P C -1.121 176.174 177.300 -0.008 0.000 1.186 10 P CA -0.087 63.017 63.100 0.006 0.000 0.767 10 P CB 0.538 32.239 31.700 0.002 0.000 0.820 11 V N 4.343 124.259 119.914 0.002 0.000 2.417 11 V HA 0.281 4.401 4.120 -0.000 0.000 0.291 11 V C 0.493 176.577 176.094 -0.016 0.000 1.024 11 V CA -0.710 61.586 62.300 -0.008 0.000 0.861 11 V CB 1.329 33.162 31.823 0.018 0.000 0.985 11 V HN 0.399 nan 8.190 nan 0.000 0.436 12 I N 6.527 127.047 120.570 -0.084 0.000 2.581 12 I HA 0.112 4.282 4.170 -0.000 0.000 0.285 12 I C -1.731 174.387 176.117 0.002 0.000 1.129 12 I CA -1.091 60.144 61.300 -0.108 0.000 1.397 12 I CB 0.630 38.402 38.000 -0.381 0.000 1.399 12 I HN 0.479 nan 8.210 nan 0.000 0.537 13 P HA 0.089 nan 4.420 nan 0.000 0.246 13 P C 0.175 177.500 177.300 0.041 0.000 1.675 13 P CA 0.161 63.297 63.100 0.060 0.000 0.908 13 P CB -0.028 31.711 31.700 0.065 0.000 1.890 14 G N 0.179 109.035 108.800 0.093 0.000 2.559 14 G HA2 0.249 4.209 3.960 -0.000 0.000 0.291 14 G HA3 0.249 4.209 3.960 -0.000 0.000 0.291 14 G C -1.701 173.360 174.900 0.269 0.000 1.424 14 G CA -0.707 44.486 45.100 0.155 0.000 0.786 14 G HN -0.072 nan 8.290 nan 0.000 0.485 15 N N 0.820 119.699 118.700 0.298 0.000 2.430 15 N HA 0.268 5.007 4.740 -0.000 0.000 0.292 15 N C -0.252 175.405 175.510 0.245 0.000 1.051 15 N CA -0.556 52.653 53.050 0.265 0.000 0.917 15 N CB 2.630 41.230 38.487 0.189 0.000 1.164 15 N HN 0.632 nan 8.380 nan 0.000 0.484 16 K N 1.987 122.440 120.400 0.088 0.000 2.355 16 K HA 0.183 4.503 4.320 -0.000 0.000 0.270 16 K C -0.310 176.231 176.600 -0.099 0.000 1.003 16 K CA -0.205 55.894 56.287 -0.314 0.000 0.957 16 K CB 0.594 32.844 32.500 -0.416 0.000 0.939 16 K HN 0.432 nan 8.250 nan 0.000 0.482 17 L N 3.114 124.276 121.223 -0.101 0.000 2.399 17 L HA 0.183 4.523 4.340 -0.000 0.000 0.265 17 L C 0.601 177.435 176.870 -0.060 0.000 1.089 17 L CA -0.935 53.893 54.840 -0.020 0.000 0.802 17 L CB 1.024 43.094 42.059 0.019 0.000 1.180 17 L HN 0.871 nan 8.230 nan 0.000 0.454 18 D N 0.493 120.866 120.400 -0.046 0.000 2.377 18 D HA -0.058 4.582 4.640 -0.000 0.000 0.245 18 D C 0.561 176.822 176.300 -0.066 0.000 1.196 18 D CA -0.436 53.534 54.000 -0.050 0.000 0.962 18 D CB 1.206 41.983 40.800 -0.038 0.000 1.127 18 D HN 0.641 nan 8.370 nan 0.000 0.471 19 E N -0.286 119.880 120.200 -0.058 0.000 2.130 19 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 19 E C 1.367 177.919 176.600 -0.080 0.000 0.998 19 E CA 1.270 57.632 56.400 -0.064 0.000 0.806 19 E CB 0.242 29.913 29.700 -0.047 0.000 0.738 19 E HN 0.379 nan 8.360 nan 0.000 0.459 20 E N 0.507 120.664 120.200 -0.070 0.000 2.015 20 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 20 E C 1.959 178.498 176.600 -0.101 0.000 0.991 20 E CA 0.984 57.340 56.400 -0.075 0.000 0.802 20 E CB -0.394 29.272 29.700 -0.057 0.000 0.759 20 E HN 0.403 nan 8.360 nan 0.000 0.447 21 E N 0.126 120.264 120.200 -0.102 0.000 2.110 21 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 21 E C 1.887 178.353 176.600 -0.223 0.000 0.988 21 E CA 1.420 57.740 56.400 -0.133 0.000 0.804 21 E CB 0.122 29.764 29.700 -0.096 0.000 0.745 21 E HN 0.114 nan 8.360 nan 0.000 0.458 22 T N 0.969 115.388 114.554 -0.225 0.000 2.746 22 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 22 T C 1.754 176.219 174.700 -0.391 0.000 1.039 22 T CA 1.486 63.372 62.100 -0.357 0.000 1.142 22 T CB -0.170 68.572 68.868 -0.210 0.000 0.866 22 T HN 0.168 nan 8.240 nan 0.000 0.444 23 K N 1.026 121.286 120.400 -0.234 0.000 2.032 23 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 23 K C 2.132 178.606 176.600 -0.210 0.000 1.048 23 K CA 1.677 57.850 56.287 -0.190 0.000 0.927 23 K CB -0.104 32.323 32.500 -0.122 0.000 0.712 23 K HN 0.446 nan 8.250 nan 0.000 0.441 24 E N 0.773 120.855 120.200 -0.196 0.000 2.012 24 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 24 E C 2.224 178.701 176.600 -0.205 0.000 1.007 24 E CA 1.727 58.029 56.400 -0.164 0.000 0.816 24 E CB -0.279 29.342 29.700 -0.131 0.000 0.762 24 E HN 0.255 nan 8.360 nan 0.000 0.451 25 L N 0.738 121.775 121.223 -0.311 0.000 2.034 25 L HA -0.298 4.042 4.340 -0.000 0.000 0.217 25 L C 2.682 179.338 176.870 -0.357 0.000 1.077 25 L CA 1.548 56.191 54.840 -0.327 0.000 0.769 25 L CB -0.485 41.191 42.059 -0.639 0.000 0.890 25 L HN 0.132 nan 8.230 nan 0.000 0.435 26 R N -0.376 119.818 120.500 -0.509 0.000 2.103 26 R HA -0.137 4.203 4.340 -0.000 0.000 0.242 26 R C 1.194 177.380 176.300 -0.191 0.000 1.142 26 R CA 0.889 56.812 56.100 -0.295 0.000 0.960 26 R CB -0.600 29.562 30.300 -0.231 0.000 0.858 26 R HN 0.256 nan 8.270 nan 0.000 0.439 30 A N 0.125 122.825 122.820 -0.201 0.000 1.908 30 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 30 A C 1.892 179.396 177.584 -0.134 0.000 1.181 30 A CA 2.504 54.429 52.037 -0.186 0.000 0.627 30 A CB -0.362 18.547 19.000 -0.151 0.000 0.818 30 A HN 0.672 nan 8.150 nan 0.000 0.445 31 E N -0.736 119.406 120.200 -0.096 0.000 2.047 31 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 31 E C 1.935 178.504 176.600 -0.052 0.000 0.987 31 E CA 1.193 57.557 56.400 -0.060 0.000 0.799 31 E CB -0.176 29.499 29.700 -0.041 0.000 0.752 31 E HN 0.451 nan 8.360 nan 0.000 0.449 32 L N 0.951 122.139 121.223 -0.057 0.000 2.127 32 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 32 L C 1.920 178.766 176.870 -0.040 0.000 1.089 32 L CA 1.594 56.409 54.840 -0.042 0.000 0.757 32 L CB -0.194 41.851 42.059 -0.024 0.000 0.899 32 L HN 0.176 nan 8.230 nan 0.000 0.434 33 L N -0.923 120.261 121.223 -0.065 0.000 2.529 33 L HA 0.299 4.639 4.340 -0.000 0.000 0.223 33 L C 1.422 178.309 176.870 0.029 0.000 1.113 33 L CA 0.448 55.283 54.840 -0.008 0.000 0.861 33 L CB -0.660 41.331 42.059 -0.113 0.000 1.012 33 L HN 0.454 nan 8.230 nan 0.000 0.461 34 G N 1.991 110.779 108.800 -0.019 0.000 2.212 34 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.255 34 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.255 34 G C 0.084 174.985 174.900 0.001 0.000 1.062 34 G CA 0.156 45.256 45.100 0.001 0.000 0.815 34 G HN 0.548 nan 8.290 nan 0.000 0.497 35 R N -1.497 118.966 120.500 -0.062 0.000 2.686 35 R HA 0.736 5.076 4.340 -0.000 0.000 0.286 35 R C 0.952 177.199 176.300 -0.089 0.000 0.969 35 R CA -1.078 54.974 56.100 -0.079 0.000 0.898 35 R CB 1.439 31.613 30.300 -0.210 0.000 1.183 35 R HN 0.050 nan 8.270 nan 0.000 0.456 36 R N 0.609 121.076 120.500 -0.056 0.000 2.062 36 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 36 R C 0.680 176.940 176.300 -0.066 0.000 1.128 36 R CA 0.801 56.870 56.100 -0.051 0.000 0.960 36 R CB -0.231 30.052 30.300 -0.028 0.000 0.855 36 R HN 0.594 nan 8.270 nan 0.000 0.432 37 N N 1.294 119.953 118.700 -0.070 0.000 2.357 37 N HA -0.088 4.652 4.740 -0.000 0.000 0.257 37 N C 0.137 175.583 175.510 -0.106 0.000 1.250 37 N CA 0.829 53.836 53.050 -0.072 0.000 0.862 37 N CB 1.078 39.526 38.487 -0.064 0.000 1.066 37 N HN 0.166 nan 8.380 nan 0.000 0.468 38 T N 0.055 114.562 114.554 -0.077 0.000 3.176 38 T HA 0.332 4.682 4.350 -0.000 0.000 0.263 38 T C 0.888 175.562 174.700 -0.043 0.000 1.021 38 T CA -0.450 61.600 62.100 -0.083 0.000 0.905 38 T CB -0.152 68.671 68.868 -0.075 0.000 1.057 38 T HN 0.368 nan 8.240 nan 0.000 0.558 39 G N 0.909 109.693 108.800 -0.028 0.000 2.588 39 G HA2 0.462 4.422 3.960 -0.000 0.000 0.281 39 G HA3 0.462 4.422 3.960 -0.000 0.000 0.281 39 G C -0.719 174.230 174.900 0.082 0.000 1.236 39 G CA -1.068 44.060 45.100 0.046 0.000 0.969 39 G HN 0.364 nan 8.290 nan 0.000 0.504 40 F N 2.251 122.202 119.950 0.002 0.000 2.546 40 F HA 0.207 4.734 4.527 -0.000 0.000 0.388 40 F C -0.534 175.277 175.800 0.018 0.000 1.051 40 F CA -2.114 55.895 58.000 0.014 0.000 1.130 40 F CB 1.045 40.069 39.000 0.040 0.000 1.044 40 F HN 0.177 nan 8.300 nan 0.000 0.553 41 P HA 0.048 nan 4.420 nan 0.000 0.237 41 P C 0.753 177.985 177.300 -0.113 0.000 1.178 41 P CA 0.402 63.319 63.100 -0.306 0.000 0.766 41 P CB -0.117 31.326 31.700 -0.428 0.000 0.876 42 G N 1.165 109.492 108.800 -0.789 0.000 2.771 42 G HA2 0.217 4.177 3.960 -0.000 0.000 0.242 42 G HA3 0.217 4.177 3.960 -0.000 0.000 0.242 42 G C -0.160 174.799 174.900 0.098 0.000 1.233 42 G CA -0.026 44.879 45.100 -0.325 0.000 0.858 42 G HN 0.362 nan 8.290 nan 0.000 0.591 43 S N -0.135 115.641 115.700 0.128 0.000 2.482 43 S HA 0.581 5.051 4.470 -0.000 0.000 0.303 43 S C -0.699 173.945 174.600 0.073 0.000 1.091 43 S CA -0.902 57.279 58.200 -0.033 0.000 1.057 43 S CB 2.254 65.200 63.200 -0.423 0.000 1.031 43 S HN 0.515 nan 8.310 nan 0.000 0.485 44 Q N 2.725 122.560 119.800 0.059 0.000 2.307 44 Q HA 0.511 4.851 4.340 -0.000 0.000 0.262 44 Q C -2.521 173.493 176.000 0.024 0.000 0.961 44 Q CA -2.335 53.508 55.803 0.067 0.000 0.882 44 Q CB 1.784 30.573 28.738 0.085 0.000 1.264 44 Q HN 0.534 nan 8.270 nan 0.000 0.446 45 P HA 0.178 nan 4.420 nan 0.000 0.274 45 P C -0.248 177.072 177.300 0.034 0.000 1.256 45 P CA -0.308 62.806 63.100 0.022 0.000 0.795 45 P CB 0.933 32.649 31.700 0.027 0.000 1.038 46 V N -3.059 116.879 119.914 0.040 0.000 3.166 46 V HA 0.561 4.681 4.120 -0.000 0.000 0.317 46 V C 0.101 176.245 176.094 0.083 0.000 1.136 46 V CA -0.972 61.359 62.300 0.052 0.000 1.035 46 V CB 0.956 32.809 31.823 0.049 0.000 1.110 46 V HN 0.457 nan 8.190 nan 0.000 0.450 47 S N 1.108 116.869 115.700 0.102 0.000 2.549 47 S HA 0.389 4.859 4.470 -0.000 0.000 0.279 47 S C -0.531 174.204 174.600 0.225 0.000 1.321 47 S CA -0.066 58.222 58.200 0.147 0.000 1.054 47 S CB 0.079 63.346 63.200 0.112 0.000 0.899 47 S HN 0.666 nan 8.310 nan 0.000 0.497 48 F N 3.771 123.808 119.950 0.146 0.000 2.466 48 F HA 0.152 4.679 4.527 -0.000 0.000 0.363 48 F C 0.815 176.779 175.800 0.274 0.000 1.109 48 F CA -0.031 58.102 58.000 0.221 0.000 1.161 48 F CB 0.071 39.243 39.000 0.286 0.000 1.117 48 F HN 0.618 nan 8.300 nan 0.000 0.539 49 E N 5.050 125.319 120.200 0.116 0.000 2.504 49 E HA 0.309 4.658 4.350 -0.000 0.000 0.253 49 E C 0.898 177.323 176.600 -0.291 0.000 1.151 49 E CA -0.925 55.413 56.400 -0.103 0.000 0.972 49 E CB 0.874 30.419 29.700 -0.258 0.000 1.247 49 E HN 0.615 nan 8.360 nan 0.000 0.519 50 R N 0.403 120.767 120.500 -0.226 0.000 2.090 50 R HA -0.086 4.254 4.340 -0.000 0.000 0.228 50 R C 2.316 178.395 176.300 -0.369 0.000 1.110 50 R CA 1.108 57.062 56.100 -0.243 0.000 0.973 50 R CB -0.155 30.051 30.300 -0.155 0.000 0.869 50 R HN 0.470 nan 8.270 nan 0.000 0.440 51 R N -0.432 119.818 120.500 -0.416 0.000 2.200 51 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 51 R C 1.217 177.228 176.300 -0.482 0.000 1.127 51 R CA 1.733 57.584 56.100 -0.415 0.000 0.989 51 R CB -0.630 29.419 30.300 -0.417 0.000 0.869 51 R HN 0.475 nan 8.270 nan 0.000 0.459 52 H N 0.062 118.797 119.070 -0.558 0.000 2.403 52 H HA 0.001 4.557 4.556 -0.000 0.000 0.298 52 H C 1.923 176.847 175.328 -0.672 0.000 1.059 52 H CA 1.012 56.609 56.048 -0.752 0.000 1.363 52 H CB 0.189 29.142 29.762 -1.348 0.000 1.410 52 H HN 0.099 nan 8.280 nan 0.000 0.528 53 L N 1.015 121.932 121.223 -0.510 0.000 2.068 53 L HA -0.035 4.305 4.340 -0.000 0.000 0.204 53 L C 1.690 178.205 176.870 -0.592 0.000 1.076 53 L CA 1.726 56.306 54.840 -0.435 0.000 0.753 53 L CB -0.167 41.629 42.059 -0.440 0.000 0.910 53 L HN 0.116 nan 8.230 nan 0.000 0.439 54 E N -0.888 118.956 120.200 -0.594 0.000 2.285 54 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 54 E C 1.440 177.995 176.600 -0.075 0.000 0.997 54 E CA 1.108 57.267 56.400 -0.401 0.000 0.845 54 E CB 0.241 29.793 29.700 -0.247 0.000 0.782 54 E HN 0.657 nan 8.360 nan 0.000 0.491 55 E N -0.756 119.361 120.200 -0.138 0.000 2.949 55 E HA 0.072 4.422 4.350 -0.000 0.000 0.182 55 E C 1.912 178.472 176.600 -0.067 0.000 1.154 55 E CA 0.299 56.656 56.400 -0.071 0.000 1.205 55 E CB -0.073 29.568 29.700 -0.098 0.000 1.865 55 E HN -0.073 nan 8.360 nan 0.000 0.516 56 T N 3.157 117.643 114.554 -0.113 0.000 2.531 56 T HA -0.204 4.146 4.350 -0.000 0.000 0.261 56 T C 1.351 175.989 174.700 -0.104 0.000 1.141 56 T CA 1.241 63.286 62.100 -0.092 0.000 1.176 56 T CB -0.676 68.123 68.868 -0.114 0.000 0.863 56 T HN -0.022 nan 8.240 nan 0.000 0.424 60 K N 0.918 121.329 120.400 0.018 0.000 2.527 60 K HA 0.380 4.700 4.320 -0.000 0.000 0.260 60 K C -1.694 174.898 176.600 -0.013 0.000 0.937 60 K CA -0.920 55.385 56.287 0.030 0.000 0.826 60 K CB 1.926 34.555 32.500 0.215 0.000 1.359 60 K HN -0.039 nan 8.250 nan 0.000 0.434 61 D N 1.533 121.780 120.400 -0.254 0.000 2.383 61 D HA 0.184 4.824 4.640 -0.000 0.000 0.252 61 D C -0.945 175.393 176.300 0.064 0.000 1.166 61 D CA 0.736 54.419 54.000 -0.529 0.000 0.879 61 D CB 0.324 40.828 40.800 -0.494 0.000 1.164 61 D HN 0.236 nan 8.370 nan 0.000 0.462 62 Y N 1.064 121.601 120.300 0.395 0.000 2.553 62 Y HA 0.425 4.975 4.550 -0.000 0.000 0.347 62 Y C -0.611 175.816 175.900 0.880 0.000 1.019 62 Y CA -0.956 57.465 58.100 0.534 0.000 1.032 62 Y CB 1.355 40.087 38.460 0.454 0.000 1.284 62 Y HN 0.165 nan 8.280 nan 0.000 0.466 63 F N 1.328 121.497 119.950 0.366 0.000 2.556 63 F HA 0.774 5.301 4.527 -0.000 0.000 0.327 63 F C -0.521 175.340 175.800 0.102 0.000 1.059 63 F CA -1.505 56.611 58.000 0.192 0.000 0.953 63 F CB 1.779 40.843 39.000 0.108 0.000 1.227 63 F HN 0.177 nan 8.300 nan 0.000 0.478 64 V N 1.846 121.791 119.914 0.052 0.000 3.087 64 V HA 0.840 4.960 4.120 -0.000 0.000 0.306 64 V C -1.458 174.522 176.094 -0.190 0.000 1.187 64 V CA -0.633 61.543 62.300 -0.207 0.000 0.999 64 V CB 1.846 33.357 31.823 -0.520 0.000 1.049 64 V HN 1.115 nan 8.190 nan 0.000 0.431 65 C N 3.422 122.593 119.300 -0.215 0.000 3.288 65 C HA 0.796 5.256 4.460 -0.000 0.000 0.318 65 C C -0.581 174.316 174.990 -0.155 0.000 1.356 65 C CA -0.634 58.287 59.018 -0.161 0.000 1.359 65 C CB 1.614 29.273 27.740 -0.133 0.000 1.688 65 C HN 1.011 nan 8.230 nan 0.000 0.467 66 E N 1.235 121.370 120.200 -0.108 0.000 2.360 66 E HA 0.165 4.515 4.350 -0.000 0.000 0.269 66 E C -0.566 175.959 176.600 -0.124 0.000 1.022 66 E CA 0.031 56.377 56.400 -0.091 0.000 0.887 66 E CB 0.713 30.380 29.700 -0.055 0.000 0.990 66 E HN 0.775 nan 8.360 nan 0.000 0.426 67 K N 2.665 122.991 120.400 -0.124 0.000 2.379 67 K HA 0.121 4.441 4.320 -0.000 0.000 0.284 67 K C -0.498 175.992 176.600 -0.183 0.000 1.044 67 K CA -0.183 56.016 56.287 -0.147 0.000 0.974 67 K CB 0.460 32.890 32.500 -0.118 0.000 0.962 67 K HN 0.601 nan 8.250 nan 0.000 0.474 68 T N 1.615 116.049 114.554 -0.201 0.000 2.824 68 T HA 0.086 4.436 4.350 -0.000 0.000 0.277 68 T C 0.065 174.666 174.700 -0.166 0.000 0.975 68 T CA -0.745 61.200 62.100 -0.259 0.000 0.966 68 T CB 0.818 69.551 68.868 -0.224 0.000 1.054 68 T HN 0.553 nan 8.240 nan 0.000 0.533 69 D N 0.329 120.634 120.400 -0.157 0.000 3.010 69 D HA 0.319 4.959 4.640 -0.000 0.000 0.347 69 D C 0.236 176.507 176.300 -0.048 0.000 1.340 69 D CA -0.264 53.684 54.000 -0.087 0.000 0.858 69 D CB -0.203 40.551 40.800 -0.077 0.000 1.111 69 D HN 0.696 nan 8.370 nan 0.000 0.482 70 G N -0.029 108.751 108.800 -0.034 0.000 3.016 70 G HA2 0.465 4.425 3.960 -0.000 0.000 0.270 70 G HA3 0.465 4.425 3.960 -0.000 0.000 0.270 70 G C -1.015 173.888 174.900 0.004 0.000 1.352 70 G CA -0.645 44.452 45.100 -0.004 0.000 1.060 70 G HN 0.205 nan 8.290 nan 0.000 0.538 71 L N 1.241 122.467 121.223 0.005 0.000 2.268 71 L HA 0.449 4.789 4.340 -0.000 0.000 0.289 71 L C 0.793 177.683 176.870 0.032 0.000 1.064 71 L CA -0.902 53.937 54.840 -0.002 0.000 0.824 71 L CB 0.457 42.496 42.059 -0.034 0.000 1.202 71 L HN 0.352 nan 8.230 nan 0.000 0.433 72 R N 4.872 125.404 120.500 0.054 0.000 2.537 72 R HA 0.390 4.730 4.340 -0.000 0.000 0.280 72 R C -1.081 175.289 176.300 0.116 0.000 1.058 72 R CA 0.319 56.496 56.100 0.128 0.000 1.057 72 R CB -0.265 30.129 30.300 0.156 0.000 0.973 72 R HN 0.902 nan 8.270 nan 0.000 0.438 73 C N 2.936 122.351 119.300 0.191 0.000 3.283 73 C HA 0.422 4.882 4.460 -0.000 0.000 0.359 73 C C -0.623 174.500 174.990 0.221 0.000 1.160 73 C CA -1.391 57.743 59.018 0.192 0.000 1.232 73 C CB 0.410 28.189 27.740 0.065 0.000 1.571 73 C HN 0.678 nan 8.230 nan 0.000 0.522 74 L N 1.832 123.173 121.223 0.197 0.000 2.399 74 L HA 0.635 4.975 4.340 -0.000 0.000 0.266 74 L C -0.195 176.672 176.870 -0.004 0.000 1.114 74 L CA -0.537 54.349 54.840 0.076 0.000 0.804 74 L CB 1.018 43.065 42.059 -0.020 0.000 1.146 74 L HN 0.672 nan 8.230 nan 0.000 0.451 75 L N 2.649 123.858 121.223 -0.023 0.000 2.280 75 L HA 0.478 4.817 4.340 -0.000 0.000 0.287 75 L C -0.986 175.894 176.870 0.017 0.000 1.023 75 L CA 0.034 54.792 54.840 -0.136 0.000 0.819 75 L CB 0.950 42.817 42.059 -0.320 0.000 1.212 75 L HN 0.281 nan 8.230 nan 0.000 0.420 76 F N 6.322 126.219 119.950 -0.088 0.000 2.427 76 F HA 0.609 5.136 4.527 -0.000 0.000 0.346 76 F C -1.178 174.661 175.800 0.065 0.000 1.120 76 F CA -1.308 56.708 58.000 0.027 0.000 1.033 76 F CB 1.100 40.195 39.000 0.158 0.000 1.126 76 F HN 0.314 nan 8.300 nan 0.000 0.462 77 L N 8.483 129.589 121.223 -0.195 0.000 2.343 77 L HA 0.575 4.915 4.340 -0.000 0.000 0.278 77 L C -0.541 176.154 176.870 -0.291 0.000 0.996 77 L CA -0.698 53.995 54.840 -0.245 0.000 0.831 77 L CB 1.522 43.460 42.059 -0.202 0.000 1.232 77 L HN 0.596 nan 8.230 nan 0.000 0.413 78 I N -0.259 120.185 120.570 -0.210 0.000 3.042 78 I HA 0.607 4.777 4.170 -0.000 0.000 0.310 78 I C -0.833 175.383 176.117 0.164 0.000 1.117 78 I CA -0.775 60.514 61.300 -0.018 0.000 1.003 78 I CB 2.423 40.334 38.000 -0.148 0.000 1.228 78 I HN 0.358 nan 8.210 nan 0.000 0.443 79 N N 2.970 121.848 118.700 0.297 0.000 2.706 79 N HA 0.181 4.921 4.740 -0.000 0.000 0.240 79 N C -1.362 174.109 175.510 -0.066 0.000 1.039 79 N CA -0.194 52.871 53.050 0.026 0.000 0.888 79 N CB 0.641 39.112 38.487 -0.026 0.000 1.128 79 N HN 0.753 nan 8.380 nan 0.000 0.512 80 D N 3.316 123.704 120.400 -0.019 0.000 2.390 80 D HA 0.139 4.779 4.640 -0.000 0.000 0.249 80 D C -1.535 174.726 176.300 -0.065 0.000 1.144 80 D CA -1.538 52.453 54.000 -0.015 0.000 0.880 80 D CB 1.836 42.647 40.800 0.019 0.000 1.182 80 D HN 0.268 nan 8.370 nan 0.000 0.451 81 P HA -0.147 nan 4.420 nan 0.000 0.216 81 P C 0.499 177.769 177.300 -0.049 0.000 1.157 81 P CA 1.321 64.388 63.100 -0.055 0.000 0.880 81 P CB 0.373 32.051 31.700 -0.037 0.000 0.791 82 D N -1.458 118.917 120.400 -0.043 0.000 2.414 82 D HA -0.008 4.632 4.640 -0.000 0.000 0.237 82 D C 1.671 177.937 176.300 -0.057 0.000 0.975 82 D CA 0.717 54.691 54.000 -0.043 0.000 0.917 82 D CB -0.365 40.414 40.800 -0.034 0.000 1.061 82 D HN 0.087 nan 8.370 nan 0.000 0.480 83 K N 1.225 121.591 120.400 -0.058 0.000 2.360 83 K HA 0.016 4.336 4.320 -0.000 0.000 0.201 83 K C 1.470 178.013 176.600 -0.095 0.000 1.046 83 K CA 0.721 56.964 56.287 -0.075 0.000 0.945 83 K CB -0.209 32.256 32.500 -0.059 0.000 0.750 83 K HN 0.284 nan 8.250 nan 0.000 0.464 84 G N 1.817 110.543 108.800 -0.123 0.000 2.539 84 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.256 84 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.256 84 G C -0.495 174.243 174.900 -0.270 0.000 1.233 84 G CA 0.171 45.127 45.100 -0.241 0.000 0.936 84 G HN 0.377 nan 8.290 nan 0.000 0.571 85 E N 1.015 120.965 120.200 -0.416 0.000 2.415 85 E HA 0.444 4.794 4.350 -0.000 0.000 0.263 85 E C 0.583 177.177 176.600 -0.010 0.000 0.995 85 E CA 0.403 56.664 56.400 -0.232 0.000 0.915 85 E CB -0.051 29.582 29.700 -0.112 0.000 0.951 85 E HN 1.126 nan 8.360 nan 0.000 0.449 86 G N 3.473 112.276 108.800 0.005 0.000 2.660 86 G HA2 0.419 4.379 3.960 -0.000 0.000 0.305 86 G HA3 0.419 4.379 3.960 -0.000 0.000 0.305 86 G C -1.021 173.645 174.900 -0.390 0.000 1.329 86 G CA -0.508 44.552 45.100 -0.066 0.000 1.000 86 G HN 0.414 nan 8.290 nan 0.000 0.514 87 V N 2.920 122.464 119.914 -0.618 0.000 2.350 87 V HA 0.563 4.683 4.120 -0.000 0.000 0.276 87 V C -0.703 174.932 176.094 -0.764 0.000 1.028 87 V CA -0.517 61.455 62.300 -0.547 0.000 0.860 87 V CB 0.160 31.758 31.823 -0.375 0.000 0.990 87 V HN 0.543 nan 8.190 nan 0.000 0.453 88 F N 4.363 124.321 119.950 0.013 0.000 2.540 88 F HA 0.631 5.158 4.527 -0.000 0.000 0.317 88 F C -0.134 175.674 175.800 0.012 0.000 1.104 88 F CA -0.737 57.335 58.000 0.120 0.000 0.913 88 F CB 1.808 41.015 39.000 0.345 0.000 1.170 88 F HN 0.194 nan 8.300 nan 0.000 0.450 89 L N 3.661 124.998 121.223 0.190 0.000 2.295 89 L HA 0.688 5.028 4.340 -0.000 0.000 0.285 89 L C -0.954 175.948 176.870 0.052 0.000 1.035 89 L CA -1.005 53.851 54.840 0.026 0.000 0.806 89 L CB 1.808 43.835 42.059 -0.053 0.000 1.214 89 L HN 0.346 nan 8.230 nan 0.000 0.426 90 V N 1.646 121.524 119.914 -0.060 0.000 2.407 90 V HA 0.312 4.432 4.120 -0.000 0.000 0.291 90 V C 0.439 176.582 176.094 0.082 0.000 1.018 90 V CA -0.693 61.531 62.300 -0.127 0.000 0.842 90 V CB 1.609 33.208 31.823 -0.373 0.000 0.996 90 V HN 0.882 nan 8.190 nan 0.000 0.426 91 T N 1.711 116.299 114.554 0.057 0.000 2.788 91 T HA 0.262 4.612 4.350 -0.000 0.000 0.280 91 T C 1.163 175.587 174.700 -0.460 0.000 0.984 91 T CA -0.325 61.725 62.100 -0.083 0.000 0.972 91 T CB 1.090 69.953 68.868 -0.008 0.000 1.039 91 T HN 0.576 nan 8.240 nan 0.000 0.530 92 R N -0.003 120.093 120.500 -0.674 0.000 2.152 92 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 92 R C 1.329 177.270 176.300 -0.599 0.000 1.117 92 R CA 1.312 56.730 56.100 -1.138 0.000 0.981 92 R CB -0.277 29.672 30.300 -0.585 0.000 0.870 92 R HN 0.721 nan 8.270 nan 0.000 0.451 93 E N 0.376 120.414 120.200 -0.271 0.000 2.512 93 E HA -0.042 4.308 4.350 -0.000 0.000 0.195 93 E C -0.091 176.496 176.600 -0.020 0.000 1.083 93 E CA 0.156 56.498 56.400 -0.097 0.000 0.873 93 E CB -0.145 29.541 29.700 -0.022 0.000 0.897 93 E HN 0.283 nan 8.360 nan 0.000 0.514 94 N N 1.448 120.131 118.700 -0.029 0.000 2.754 94 N HA -0.153 4.587 4.740 -0.000 0.000 0.248 94 N C -1.719 173.934 175.510 0.237 0.000 1.093 94 N CA 0.654 53.810 53.050 0.176 0.000 0.699 94 N CB -0.736 37.868 38.487 0.196 0.000 1.016 94 N HN 0.114 nan 8.380 nan 0.000 0.552 95 D N 0.297 120.813 120.400 0.192 0.000 2.217 95 D HA 0.244 4.884 4.640 -0.000 0.000 0.243 95 D C -0.123 176.333 176.300 0.261 0.000 1.054 95 D CA -0.046 54.073 54.000 0.197 0.000 0.838 95 D CB 0.454 41.318 40.800 0.106 0.000 1.162 95 D HN 0.094 nan 8.370 nan 0.000 0.472 96 Y N 1.360 121.640 120.300 -0.033 0.000 2.330 96 Y HA 0.307 4.857 4.550 -0.000 0.000 0.336 96 Y C -0.358 175.558 175.900 0.026 0.000 1.036 96 Y CA -0.503 57.655 58.100 0.097 0.000 1.125 96 Y CB 0.789 39.260 38.460 0.019 0.000 1.194 96 Y HN 0.207 nan 8.280 nan 0.000 0.469 97 Y N 3.234 123.739 120.300 0.342 0.000 2.361 97 Y HA 0.320 4.870 4.550 -0.000 0.000 0.337 97 Y C -0.648 175.491 175.900 0.399 0.000 0.965 97 Y CA -1.645 56.643 58.100 0.313 0.000 1.091 97 Y CB 1.148 39.708 38.460 0.167 0.000 1.182 97 Y HN 0.517 nan 8.280 nan 0.000 0.450 98 F N 5.057 125.241 119.950 0.391 0.000 2.427 98 F HA 0.485 5.012 4.527 0.000 0.000 0.352 98 F C -0.669 175.157 175.800 0.042 0.000 1.100 98 F CA -0.810 57.275 58.000 0.141 0.000 1.191 98 F CB 0.443 39.512 39.000 0.115 0.000 1.128 98 F HN 0.257 nan 8.300 nan 0.000 0.533 99 I N 9.044 129.071 120.570 -0.904 0.000 2.347 99 I HA 0.257 4.427 4.170 -0.000 0.000 0.283 99 I C -2.203 173.315 176.117 -0.998 0.000 1.058 99 I CA -2.601 58.302 61.300 -0.662 0.000 1.202 99 I CB 0.458 38.251 38.000 -0.345 0.000 1.386 99 I HN 0.413 nan 8.210 nan 0.000 0.475 100 P HA 0.212 nan 4.420 nan 0.000 0.277 100 P C -0.216 176.905 177.300 -0.298 0.000 1.271 100 P CA -0.221 62.648 63.100 -0.383 0.000 0.795 100 P CB 0.628 32.358 31.700 0.050 0.000 1.101 101 N N -2.008 116.595 118.700 -0.161 0.000 2.735 101 N HA -0.217 4.523 4.740 -0.000 0.000 0.248 101 N C -0.305 174.998 175.510 -0.345 0.000 1.083 101 N CA 0.882 53.843 53.050 -0.147 0.000 0.703 101 N CB -1.739 36.688 38.487 -0.100 0.000 1.005 101 N HN 0.475 nan 8.380 nan 0.000 0.550 102 I N 0.005 120.361 120.570 -0.357 0.000 2.610 102 I HA 0.322 4.492 4.170 -0.000 0.000 0.289 102 I C -0.892 175.087 176.117 -0.230 0.000 1.163 102 I CA -0.823 60.166 61.300 -0.519 0.000 1.044 102 I CB 1.666 39.220 38.000 -0.743 0.000 1.251 102 I HN 0.182 nan 8.210 nan 0.000 0.424 103 H N 6.880 125.725 119.070 -0.375 0.000 2.609 103 H HA 0.620 5.176 4.556 -0.000 0.000 0.344 103 H C -1.965 173.115 175.328 -0.414 0.000 1.040 103 H CA -0.627 55.256 56.048 -0.275 0.000 1.216 103 H CB 1.070 30.644 29.762 -0.313 0.000 1.529 103 H HN 0.364 nan 8.280 nan 0.000 0.519 104 F N 6.697 126.266 119.950 -0.635 0.000 2.308 104 F HA 0.349 4.876 4.527 -0.000 0.000 0.370 104 F C -2.130 173.301 175.800 -0.616 0.000 1.100 104 F CA -2.586 55.147 58.000 -0.445 0.000 1.108 104 F CB 1.091 39.938 39.000 -0.256 0.000 1.293 104 F HN 0.492 nan 8.300 nan 0.000 0.478 105 P HA -0.072 nan 4.420 nan 0.000 0.266 105 P C 0.540 177.907 177.300 0.112 0.000 1.193 105 P CA 0.114 63.082 63.100 -0.221 0.000 0.770 105 P CB 0.922 32.561 31.700 -0.101 0.000 0.836 106 L N 2.434 123.659 121.223 0.004 0.000 2.357 106 L HA 0.229 4.569 4.340 -0.000 0.000 0.211 106 L C 0.660 177.424 176.870 -0.176 0.000 1.075 106 L CA 1.281 55.962 54.840 -0.264 0.000 0.830 106 L CB -0.019 41.778 42.059 -0.437 0.000 0.996 106 L HN 0.251 nan 8.230 nan 0.000 0.467 107 S N -1.622 114.025 115.700 -0.088 0.000 2.501 107 S HA 0.382 4.852 4.470 -0.000 0.000 0.301 107 S C 0.974 175.564 174.600 -0.017 0.000 1.096 107 S CA -0.272 57.894 58.200 -0.057 0.000 1.063 107 S CB 1.530 64.696 63.200 -0.056 0.000 1.042 107 S HN 0.175 nan 8.310 nan 0.000 0.494 108 V N 2.003 121.910 119.914 -0.012 0.000 3.217 108 V HA 0.219 4.339 4.120 -0.000 0.000 0.264 108 V C 0.658 176.743 176.094 -0.015 0.000 1.135 108 V CA 0.825 63.120 62.300 -0.008 0.000 1.142 108 V CB -0.690 31.131 31.823 -0.004 0.000 0.754 108 V HN 0.768 nan 8.190 nan 0.000 0.484 109 N N 1.552 120.247 118.700 -0.008 0.000 2.546 109 N HA 0.216 4.956 4.740 -0.000 0.000 0.286 109 N C 0.156 175.670 175.510 0.008 0.000 1.259 109 N CA 0.023 53.075 53.050 0.003 0.000 0.939 109 N CB 0.574 39.064 38.487 0.004 0.000 1.243 109 N HN 0.763 nan 8.380 nan 0.000 0.511 110 E N 0.473 120.679 120.200 0.011 0.000 2.349 110 E HA 0.195 4.545 4.350 -0.000 0.000 0.265 110 E C -0.553 176.077 176.600 0.049 0.000 1.064 110 E CA -0.072 56.340 56.400 0.020 0.000 0.886 110 E CB 0.997 30.719 29.700 0.037 0.000 1.036 110 E HN -0.052 nan 8.360 nan 0.000 0.413 111 T N 2.635 117.210 114.554 0.036 0.000 2.929 111 T HA 0.183 4.533 4.350 -0.000 0.000 0.284 111 T C 0.862 175.598 174.700 0.060 0.000 1.014 111 T CA -0.755 61.374 62.100 0.048 0.000 1.051 111 T CB 0.996 69.876 68.868 0.020 0.000 1.028 111 T HN 0.517 nan 8.240 nan 0.000 0.485 112 R N 1.287 121.827 120.500 0.066 0.000 2.339 112 R HA 0.046 4.386 4.340 -0.000 0.000 0.199 112 R C 0.098 176.418 176.300 0.033 0.000 1.018 112 R CA 0.908 57.047 56.100 0.064 0.000 1.036 112 R CB 0.097 30.409 30.300 0.019 0.000 0.899 112 R HN 0.467 nan 8.270 nan 0.000 0.473 113 E N 0.753 120.962 120.200 0.014 0.000 2.474 113 E HA 0.140 4.490 4.350 -0.000 0.000 0.215 113 E C -0.164 176.428 176.600 -0.013 0.000 0.867 113 E CA 0.247 56.648 56.400 0.001 0.000 1.135 113 E CB 0.685 30.386 29.700 0.001 0.000 1.147 113 E HN 0.129 nan 8.360 nan 0.000 0.534 114 K N 1.813 122.198 120.400 -0.025 0.000 2.602 114 K HA 0.390 4.710 4.320 -0.000 0.000 0.201 114 K C -2.713 173.815 176.600 -0.120 0.000 1.070 114 K CA -1.911 54.346 56.287 -0.049 0.000 1.026 114 K CB 1.135 33.617 32.500 -0.029 0.000 1.534 114 K HN -0.083 nan 8.250 nan 0.000 0.560 115 P HA -0.024 nan 4.420 nan 0.000 0.265 115 P C -0.073 176.816 177.300 -0.686 0.000 1.193 115 P CA 0.333 63.156 63.100 -0.461 0.000 0.765 115 P CB 0.485 31.797 31.700 -0.646 0.000 0.823 116 T N 0.908 115.191 114.554 -0.452 0.000 2.829 116 T HA 0.560 4.910 4.350 -0.000 0.000 0.282 116 T C -0.741 173.741 174.700 -0.362 0.000 0.990 116 T CA -0.601 61.267 62.100 -0.386 0.000 1.028 116 T CB 0.375 69.148 68.868 -0.158 0.000 0.951 116 T HN 0.178 nan 8.240 nan 0.000 0.460 117 Y N 0.150 120.538 120.300 0.147 0.000 2.468 117 Y HA 0.421 4.971 4.550 -0.000 0.000 0.342 117 Y C 1.142 177.140 175.900 0.163 0.000 1.021 117 Y CA -1.351 56.870 58.100 0.201 0.000 1.079 117 Y CB 1.407 39.978 38.460 0.184 0.000 1.226 117 Y HN 0.648 nan 8.280 nan 0.000 0.460 118 H N 0.954 120.176 119.070 0.255 0.000 2.615 118 H HA 0.112 4.668 4.556 -0.000 0.000 0.363 118 H C -0.904 174.689 175.328 0.442 0.000 1.148 118 H CA 0.256 56.469 56.048 0.275 0.000 1.401 118 H CB 1.162 31.016 29.762 0.154 0.000 1.461 118 H HN 0.664 nan 8.280 nan 0.000 0.588 119 H N -0.062 119.337 119.070 0.547 0.000 2.651 119 H HA 0.262 4.818 4.556 -0.000 0.000 0.252 119 H C 0.074 175.433 175.328 0.053 0.000 1.365 119 H CA 0.060 56.209 56.048 0.169 0.000 1.539 119 H CB -0.146 29.659 29.762 0.072 0.000 1.621 119 H HN 0.992 nan 8.280 nan 0.000 0.526 120 G N 2.715 111.476 108.800 -0.064 0.000 2.247 120 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.111 120 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.111 120 G C -0.330 174.657 174.900 0.146 0.000 1.045 120 G CA -0.178 44.916 45.100 -0.010 0.000 0.715 120 G HN 0.613 nan 8.290 nan 0.000 0.485 121 T N 0.697 115.364 114.554 0.189 0.000 2.771 121 T HA 0.624 4.974 4.350 -0.000 0.000 0.281 121 T C -0.549 174.264 174.700 0.187 0.000 0.982 121 T CA -0.295 61.911 62.100 0.176 0.000 0.978 121 T CB 1.866 70.846 68.868 0.186 0.000 0.930 121 T HN 0.603 nan 8.240 nan 0.000 0.447 122 L N 5.638 126.926 121.223 0.107 0.000 2.372 122 L HA 0.598 4.938 4.340 -0.000 0.000 0.273 122 L C -1.331 175.503 176.870 -0.059 0.000 0.989 122 L CA -0.422 54.449 54.840 0.052 0.000 0.841 122 L CB 0.678 42.721 42.059 -0.027 0.000 1.225 122 L HN 0.572 nan 8.230 nan 0.000 0.414 123 L N 2.726 123.913 121.223 -0.060 0.000 2.322 123 L HA 0.622 4.962 4.340 -0.000 0.000 0.269 123 L C -0.679 176.122 176.870 -0.115 0.000 1.012 123 L CA -0.936 53.852 54.840 -0.086 0.000 0.815 123 L CB 1.783 43.818 42.059 -0.041 0.000 1.295 123 L HN 0.453 nan 8.230 nan 0.000 0.438 124 D N 0.133 120.402 120.400 -0.218 0.000 2.217 124 D HA 0.695 5.335 4.640 -0.000 0.000 0.243 124 D C -0.302 175.421 176.300 -0.961 0.000 1.054 124 D CA 0.128 53.913 54.000 -0.357 0.000 0.838 124 D CB 2.094 42.799 40.800 -0.159 0.000 1.162 124 D HN 0.695 nan 8.370 nan 0.000 0.472 125 G N 1.954 110.227 108.800 -0.878 0.000 2.561 125 G HA2 0.514 4.474 3.960 -0.000 0.000 0.310 125 G HA3 0.514 4.474 3.960 -0.000 0.000 0.310 125 G C -1.620 173.075 174.900 -0.343 0.000 1.292 125 G CA -0.741 43.688 45.100 -1.118 0.000 0.811 125 G HN 0.483 nan 8.290 nan 0.000 0.482 126 E N -0.953 119.065 120.200 -0.303 0.000 2.390 126 E HA 0.541 4.891 4.350 -0.000 0.000 0.277 126 E C -1.978 174.580 176.600 -0.070 0.000 0.939 126 E CA -0.964 55.430 56.400 -0.010 0.000 0.769 126 E CB 2.530 32.310 29.700 0.134 0.000 1.251 126 E HN 0.414 nan 8.360 nan 0.000 0.450 127 L N 2.946 124.188 121.223 0.033 0.000 2.259 127 L HA 0.289 4.629 4.340 -0.000 0.000 0.288 127 L C -0.475 176.399 176.870 0.008 0.000 1.051 127 L CA -0.588 54.250 54.840 -0.002 0.000 0.824 127 L CB 0.977 43.008 42.059 -0.046 0.000 1.206 127 L HN 0.511 nan 8.230 nan 0.000 0.429 128 V N 3.440 123.373 119.914 0.032 0.000 2.850 128 V HA 0.606 4.726 4.120 -0.000 0.000 0.315 128 V C -0.405 175.743 176.094 0.090 0.000 1.064 128 V CA -0.924 61.425 62.300 0.081 0.000 0.979 128 V CB 1.982 33.916 31.823 0.185 0.000 1.039 128 V HN 0.532 nan 8.190 nan 0.000 0.452 129 L N 2.940 124.221 121.223 0.096 0.000 2.276 129 L HA 0.527 4.866 4.340 -0.000 0.000 0.286 129 L C 0.195 177.135 176.870 0.116 0.000 1.024 129 L CA -0.262 54.631 54.840 0.089 0.000 0.826 129 L CB 1.255 43.353 42.059 0.065 0.000 1.211 129 L HN 0.788 nan 8.230 nan 0.000 0.422 130 E N 3.677 123.935 120.200 0.098 0.000 2.259 130 E HA 0.141 4.491 4.350 -0.000 0.000 0.281 130 E C -0.496 176.146 176.600 0.069 0.000 1.037 130 E CA -0.317 56.143 56.400 0.100 0.000 0.854 130 E CB 0.867 30.581 29.700 0.022 0.000 1.051 130 E HN 0.437 nan 8.360 nan 0.000 0.409 131 N N 3.796 122.557 118.700 0.102 0.000 3.170 131 N HA 0.057 4.797 4.740 -0.000 0.000 0.305 131 N C -0.237 175.321 175.510 0.081 0.000 1.499 131 N CA -0.185 52.911 53.050 0.077 0.000 1.110 131 N CB 0.529 39.066 38.487 0.082 0.000 1.390 131 N HN 0.323 nan 8.380 nan 0.000 0.508 132 R N 0.636 121.157 120.500 0.035 0.000 2.698 132 R HA 0.029 4.369 4.340 -0.000 0.000 0.266 132 R C 0.795 177.120 176.300 0.042 0.000 1.026 132 R CA 0.264 56.381 56.100 0.029 0.000 1.102 132 R CB 0.554 30.787 30.300 -0.112 0.000 0.978 132 R HN 0.373 nan 8.270 nan 0.000 0.436 133 N N 0.723 119.461 118.700 0.065 0.000 2.443 133 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 133 N C 0.724 176.250 175.510 0.027 0.000 1.037 133 N CA 0.606 53.686 53.050 0.050 0.000 0.896 133 N CB 0.277 38.798 38.487 0.058 0.000 0.959 133 N HN 0.307 nan 8.380 nan 0.000 0.442 134 V N -0.223 119.698 119.914 0.012 0.000 3.669 134 V HA 0.012 4.132 4.120 -0.000 0.000 0.203 134 V C 0.743 176.830 176.094 -0.012 0.000 1.149 134 V CA -0.064 62.236 62.300 0.000 0.000 1.346 134 V CB -0.396 31.425 31.823 -0.004 0.000 1.510 134 V HN 0.194 nan 8.190 nan 0.000 0.506 135 S N 1.884 117.563 115.700 -0.035 0.000 2.563 135 S HA 0.000 4.470 4.470 -0.000 0.000 0.294 135 S C 0.107 174.691 174.600 -0.028 0.000 1.279 135 S CA -0.209 57.966 58.200 -0.041 0.000 1.069 135 S CB -0.122 63.032 63.200 -0.077 0.000 0.828 135 S HN 0.386 nan 8.310 nan 0.000 0.497 136 E N 2.831 123.024 120.200 -0.012 0.000 2.438 136 E HA 0.120 4.470 4.350 -0.000 0.000 0.261 136 E C -2.233 174.369 176.600 0.002 0.000 1.103 136 E CA -1.773 54.627 56.400 0.001 0.000 0.959 136 E CB -0.603 29.101 29.700 0.008 0.000 0.958 136 E HN 0.501 nan 8.360 nan 0.000 0.447 137 P HA -0.092 nan 4.420 nan 0.000 0.251 137 P C -0.547 176.772 177.300 0.030 0.000 1.154 137 P CA 0.385 63.500 63.100 0.025 0.000 0.805 137 P CB -0.003 31.718 31.700 0.034 0.000 0.759 138 V N 2.737 122.665 119.914 0.023 0.000 2.472 138 V HA 0.435 4.555 4.120 -0.000 0.000 0.290 138 V C -0.075 176.064 176.094 0.074 0.000 1.037 138 V CA -1.227 61.099 62.300 0.044 0.000 0.908 138 V CB 1.540 33.373 31.823 0.016 0.000 0.985 138 V HN 0.140 nan 8.190 nan 0.000 0.454 139 L N 4.603 125.895 121.223 0.116 0.000 2.349 139 L HA 0.612 4.952 4.340 -0.000 0.000 0.275 139 L C 0.158 177.142 176.870 0.190 0.000 1.115 139 L CA 0.259 55.185 54.840 0.143 0.000 0.820 139 L CB 0.835 43.000 42.059 0.177 0.000 1.135 139 L HN 0.996 nan 8.230 nan 0.000 0.445 140 R N 3.803 124.378 120.500 0.126 0.000 2.533 140 R HA 0.239 4.579 4.340 -0.000 0.000 0.288 140 R C -1.999 174.302 176.300 0.003 0.000 1.039 140 R CA -0.742 55.430 56.100 0.121 0.000 0.909 140 R CB 1.094 31.453 30.300 0.099 0.000 1.195 140 R HN 0.610 nan 8.270 nan 0.000 0.438 141 Y N 5.129 125.288 120.300 -0.235 0.000 2.454 141 Y HA 0.335 4.885 4.550 -0.000 0.000 0.345 141 Y C -1.066 174.759 175.900 -0.125 0.000 0.970 141 Y CA -0.417 57.457 58.100 -0.376 0.000 1.204 141 Y CB 1.020 38.996 38.460 -0.806 0.000 1.122 141 Y HN 0.263 nan 8.280 nan 0.000 0.514 142 V N 8.413 128.023 119.914 -0.507 0.000 2.383 142 V HA 0.292 4.412 4.120 -0.000 0.000 0.275 142 V C 0.249 176.005 176.094 -0.565 0.000 1.036 142 V CA -0.789 61.303 62.300 -0.346 0.000 0.889 142 V CB 0.909 32.678 31.823 -0.090 0.000 0.985 142 V HN 0.632 nan 8.190 nan 0.000 0.459 143 I N 5.514 125.872 120.570 -0.354 0.000 2.396 143 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 143 I C 0.455 176.503 176.117 -0.114 0.000 0.999 143 I CA -0.042 61.074 61.300 -0.305 0.000 1.310 143 I CB 0.956 38.973 38.000 0.028 0.000 1.404 143 I HN 0.805 nan 8.210 nan 0.000 0.496 144 F N 1.402 121.335 119.950 -0.028 0.000 2.899 144 F HA 0.563 5.090 4.527 -0.000 0.000 0.337 144 F C -0.306 175.543 175.800 0.083 0.000 1.129 144 F CA -0.600 57.370 58.000 -0.050 0.000 1.128 144 F CB 0.144 39.090 39.000 -0.089 0.000 1.154 144 F HN 0.275 nan 8.300 nan 0.000 0.531 145 D N 0.394 120.881 120.400 0.145 0.000 2.807 145 D HA 0.631 5.271 4.640 -0.000 0.000 0.279 145 D C -1.787 174.526 176.300 0.021 0.000 1.247 145 D CA -0.137 53.982 54.000 0.198 0.000 0.749 145 D CB 2.164 43.184 40.800 0.367 0.000 1.264 145 D HN 0.222 nan 8.370 nan 0.000 0.421 146 A N 1.205 124.014 122.820 -0.019 0.000 2.427 146 A HA 0.555 4.875 4.320 -0.000 0.000 0.298 146 A C -0.377 177.056 177.584 -0.250 0.000 1.036 146 A CA -0.355 51.616 52.037 -0.110 0.000 0.701 146 A CB 1.037 20.026 19.000 -0.019 0.000 1.250 146 A HN 0.301 nan 8.150 nan 0.000 0.412 147 L N 1.335 122.362 121.223 -0.327 0.000 2.357 147 L HA 0.564 4.904 4.340 -0.000 0.000 0.211 147 L C 1.097 177.855 176.870 -0.186 0.000 1.075 147 L CA 1.792 56.414 54.840 -0.364 0.000 0.830 147 L CB -0.074 41.735 42.059 -0.417 0.000 0.996 147 L HN 0.922 nan 8.230 nan 0.000 0.467 148 A N -0.449 122.289 122.820 -0.136 0.000 2.547 148 A HA 0.708 5.028 4.320 -0.000 0.000 0.297 148 A C -1.428 176.126 177.584 -0.049 0.000 1.056 148 A CA -0.287 51.695 52.037 -0.092 0.000 0.688 148 A CB 1.506 20.482 19.000 -0.039 0.000 1.282 148 A HN -0.103 nan 8.150 nan 0.000 0.400 149 I N 2.659 123.192 120.570 -0.062 0.000 2.439 149 I HA 0.301 4.471 4.170 -0.000 0.000 0.283 149 I C 0.335 176.537 176.117 0.142 0.000 1.023 149 I CA -0.006 61.321 61.300 0.045 0.000 1.100 149 I CB 0.847 38.828 38.000 -0.030 0.000 1.238 149 I HN 1.056 nan 8.210 nan 0.000 0.445 150 H N 5.620 124.748 119.070 0.096 0.000 2.527 150 H HA -0.212 4.344 4.556 -0.000 0.000 0.321 150 H C 1.208 176.555 175.328 0.031 0.000 1.092 150 H CA 1.372 57.462 56.048 0.070 0.000 1.118 150 H CB -0.821 28.943 29.762 0.004 0.000 1.536 150 H HN 1.073 nan 8.280 nan 0.000 0.407 151 G N -0.340 108.420 108.800 -0.067 0.000 2.279 151 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.223 151 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.223 151 G C 0.399 175.260 174.900 -0.063 0.000 1.015 151 G CA 0.169 45.197 45.100 -0.119 0.000 0.621 151 G HN 0.710 nan 8.290 nan 0.000 0.506 152 K N 1.068 121.440 120.400 -0.046 0.000 2.262 152 K HA 0.513 4.833 4.320 -0.000 0.000 0.282 152 K C 0.233 176.775 176.600 -0.097 0.000 1.066 152 K CA -0.369 55.881 56.287 -0.063 0.000 0.901 152 K CB 0.630 33.092 32.500 -0.065 0.000 1.089 152 K HN 0.301 nan 8.250 nan 0.000 0.476 153 C N 6.596 125.853 119.300 -0.071 0.000 2.585 153 C HA 0.321 4.781 4.460 -0.000 0.000 0.406 153 C C 1.182 176.109 174.990 -0.105 0.000 1.312 153 C CA -0.517 58.461 59.018 -0.068 0.000 1.924 153 C CB -1.203 26.526 27.740 -0.019 0.000 2.578 153 C HN 0.915 nan 8.230 nan 0.000 0.580 154 I N 4.874 125.359 120.570 -0.142 0.000 3.658 154 I HA 0.227 4.397 4.170 -0.000 0.000 0.328 154 I C 1.081 177.145 176.117 -0.088 0.000 1.567 154 I CA -0.101 61.106 61.300 -0.156 0.000 1.078 154 I CB -0.397 37.406 38.000 -0.328 0.000 1.267 154 I HN 0.717 nan 8.210 nan 0.000 0.495 155 I N -0.260 120.273 120.570 -0.061 0.000 2.614 155 I HA -0.150 4.020 4.170 -0.000 0.000 0.258 155 I C 1.928 178.034 176.117 -0.019 0.000 1.189 155 I CA 1.385 62.668 61.300 -0.028 0.000 1.462 155 I CB -0.519 37.459 38.000 -0.037 0.000 1.092 155 I HN 0.305 nan 8.210 nan 0.000 0.442 156 D N 1.366 121.751 120.400 -0.025 0.000 2.317 156 D HA -0.096 4.544 4.640 -0.000 0.000 0.211 156 D C 0.843 177.139 176.300 -0.007 0.000 0.966 156 D CA 0.301 54.289 54.000 -0.021 0.000 0.876 156 D CB -0.167 40.626 40.800 -0.013 0.000 0.927 156 D HN 0.304 nan 8.370 nan 0.000 0.519 157 R N 1.518 122.021 120.500 0.005 0.000 2.490 157 R HA 0.370 4.710 4.340 -0.000 0.000 0.280 157 R C -2.278 174.036 176.300 0.024 0.000 1.077 157 R CA -2.088 54.032 56.100 0.035 0.000 1.065 157 R CB -0.370 29.979 30.300 0.081 0.000 1.003 157 R HN 0.096 nan 8.270 nan 0.000 0.470 158 P HA -0.033 nan 4.420 nan 0.000 0.270 158 P C 1.047 178.332 177.300 -0.025 0.000 1.223 158 P CA -0.388 62.696 63.100 -0.027 0.000 0.785 158 P CB 0.485 32.165 31.700 -0.033 0.000 0.923 159 L N 5.101 126.265 121.223 -0.097 0.000 2.021 159 L HA -0.161 4.179 4.340 -0.000 0.000 0.215 159 L C -0.969 175.857 176.870 -0.073 0.000 1.074 159 L CA 2.847 57.618 54.840 -0.116 0.000 0.760 159 L CB -2.199 39.674 42.059 -0.311 0.000 0.889 159 L HN 0.427 nan 8.230 nan 0.000 0.433 160 P HA -0.156 nan 4.420 nan 0.000 0.216 160 P C 1.440 178.796 177.300 0.093 0.000 1.150 160 P CA 1.392 64.511 63.100 0.032 0.000 0.837 160 P CB 0.065 31.799 31.700 0.056 0.000 0.786 161 K N -0.368 120.081 120.400 0.082 0.000 2.031 161 K HA -0.021 4.299 4.320 -0.000 0.000 0.205 161 K C 2.154 178.897 176.600 0.238 0.000 1.049 161 K CA 1.297 57.661 56.287 0.128 0.000 0.939 161 K CB -0.481 32.109 32.500 0.149 0.000 0.717 161 K HN -0.034 nan 8.250 nan 0.000 0.438 162 R N 0.177 120.803 120.500 0.211 0.000 2.083 162 R HA -0.095 4.245 4.340 -0.000 0.000 0.237 162 R C 2.315 178.756 176.300 0.234 0.000 1.137 162 R CA 1.580 57.818 56.100 0.230 0.000 0.951 162 R CB -0.678 29.696 30.300 0.124 0.000 0.851 162 R HN 0.160 nan 8.270 nan 0.000 0.434 163 L N -0.063 121.291 121.223 0.219 0.000 2.079 163 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 163 L C 2.619 179.552 176.870 0.106 0.000 1.081 163 L CA 1.411 56.415 54.840 0.272 0.000 0.752 163 L CB -0.915 41.397 42.059 0.422 0.000 0.896 163 L HN 0.389 nan 8.230 nan 0.000 0.433 164 G N -0.976 107.880 108.800 0.093 0.000 2.421 164 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.216 164 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.216 164 G C 1.356 176.220 174.900 -0.061 0.000 1.171 164 G CA 0.579 45.668 45.100 -0.018 0.000 0.775 164 G HN 0.265 nan 8.290 nan 0.000 0.543 165 Y N 0.674 120.971 120.300 -0.005 0.000 2.165 165 Y HA -0.100 4.450 4.550 -0.000 0.000 0.286 165 Y C 2.796 178.677 175.900 -0.032 0.000 1.155 165 Y CA 1.149 59.247 58.100 -0.003 0.000 1.164 165 Y CB -0.164 38.307 38.460 0.018 0.000 0.978 165 Y HN 0.130 nan 8.280 nan 0.000 0.513 166 I N -0.892 119.729 120.570 0.085 0.000 2.208 166 I HA -0.352 3.818 4.170 -0.000 0.000 0.245 166 I C 2.197 178.206 176.117 -0.179 0.000 1.097 166 I CA 1.671 62.938 61.300 -0.055 0.000 1.363 166 I CB -0.709 37.204 38.000 -0.144 0.000 1.051 166 I HN 0.230 nan 8.210 nan 0.000 0.413 167 T N 0.350 114.734 114.554 -0.284 0.000 2.595 167 T HA -0.161 4.189 4.350 -0.000 0.000 0.264 167 T C 1.830 176.473 174.700 -0.096 0.000 1.058 167 T CA 1.384 63.327 62.100 -0.262 0.000 1.166 167 T CB -0.217 68.517 68.868 -0.222 0.000 0.863 167 T HN 0.315 nan 8.240 nan 0.000 0.415 168 E N 1.514 121.677 120.200 -0.062 0.000 2.028 168 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 168 E C 2.154 178.769 176.600 0.025 0.000 0.988 168 E CA 0.868 57.253 56.400 -0.025 0.000 0.799 168 E CB -0.503 29.164 29.700 -0.055 0.000 0.755 168 E HN 0.489 nan 8.360 nan 0.000 0.447 169 N N 0.584 119.325 118.700 0.068 0.000 2.457 169 N HA -0.014 4.726 4.740 -0.000 0.000 0.180 169 N C 0.575 176.208 175.510 0.206 0.000 1.050 169 N CA 0.296 53.424 53.050 0.129 0.000 0.906 169 N CB 0.872 39.480 38.487 0.202 0.000 0.968 169 N HN -0.056 nan 8.380 nan 0.000 0.445 173 P HA -0.119 nan 4.420 nan 0.000 0.215 173 P C 1.127 178.506 177.300 0.132 0.000 1.157 173 P CA 1.031 64.192 63.100 0.101 0.000 0.863 173 P CB 0.055 31.830 31.700 0.124 0.000 0.787 174 F N 0.758 120.746 119.950 0.064 0.000 2.134 174 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 174 F C 1.779 177.651 175.800 0.120 0.000 1.097 174 F CA 1.615 59.658 58.000 0.072 0.000 1.264 174 F CB -0.491 38.551 39.000 0.070 0.000 1.001 174 F HN -0.169 nan 8.300 nan 0.000 0.479 175 D N -0.003 120.593 120.400 0.327 0.000 2.123 175 D HA -0.262 4.378 4.640 -0.000 0.000 0.196 175 D C 2.040 178.359 176.300 0.032 0.000 0.992 175 D CA 1.423 55.545 54.000 0.204 0.000 0.833 175 D CB -0.881 40.015 40.800 0.159 0.000 0.954 175 D HN 0.460 nan 8.370 nan 0.000 0.455 176 N N -0.274 118.413 118.700 -0.021 0.000 2.104 176 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 176 N C 1.950 177.285 175.510 -0.292 0.000 1.024 176 N CA 0.675 53.612 53.050 -0.187 0.000 0.853 176 N CB -0.171 38.207 38.487 -0.182 0.000 1.008 176 N HN 0.077 nan 8.380 nan 0.000 0.424 177 F N 2.130 121.896 119.950 -0.307 0.000 2.102 177 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 177 F C 2.535 178.170 175.800 -0.275 0.000 1.105 177 F CA 1.402 59.223 58.000 -0.299 0.000 1.239 177 F CB -0.360 38.431 39.000 -0.350 0.000 0.991 177 F HN -0.100 nan 8.300 nan 0.000 0.474 178 K N 0.440 120.690 120.400 -0.251 0.000 2.147 178 K HA -0.220 4.100 4.320 -0.000 0.000 0.205 178 K C 2.315 178.786 176.600 -0.216 0.000 1.049 178 K CA 1.228 57.358 56.287 -0.263 0.000 0.936 178 K CB -0.201 32.273 32.500 -0.043 0.000 0.722 178 K HN 0.114 nan 8.250 nan 0.000 0.446 179 K N 0.280 120.598 120.400 -0.137 0.000 2.155 179 K HA -0.117 4.203 4.320 -0.000 0.000 0.203 179 K C 1.164 177.791 176.600 0.046 0.000 1.052 179 K CA 1.406 57.675 56.287 -0.030 0.000 0.948 179 K CB -0.038 32.475 32.500 0.023 0.000 0.728 179 K HN 0.492 nan 8.250 nan 0.000 0.448 180 H N -0.957 117.963 119.070 -0.250 0.000 2.539 180 H HA 0.109 4.665 4.556 -0.000 0.000 0.269 180 H C -0.198 174.904 175.328 -0.376 0.000 0.980 180 H CA -0.018 55.874 56.048 -0.260 0.000 1.152 180 H CB 0.462 30.095 29.762 -0.216 0.000 1.407 180 H HN 0.145 nan 8.280 nan 0.000 0.564 181 N N 0.642 119.097 118.700 -0.408 0.000 2.687 181 N HA 0.047 4.787 4.740 -0.000 0.000 0.275 181 N C -2.144 173.133 175.510 -0.389 0.000 1.789 181 N CA -0.835 51.915 53.050 -0.501 0.000 0.806 181 N CB 1.147 39.056 38.487 -0.963 0.000 1.256 181 N HN 0.159 nan 8.380 nan 0.000 0.500 182 P HA -0.096 nan 4.420 nan 0.000 0.223 182 P C -0.008 177.179 177.300 -0.188 0.000 1.151 182 P CA 1.155 64.139 63.100 -0.192 0.000 0.787 182 P CB 0.576 32.199 31.700 -0.128 0.000 0.788 183 D N -0.346 119.945 120.400 -0.181 0.000 2.213 183 D HA -0.017 4.623 4.640 -0.000 0.000 0.205 183 D C 2.043 178.241 176.300 -0.169 0.000 0.961 183 D CA 0.618 54.531 54.000 -0.145 0.000 0.853 183 D CB 0.070 40.804 40.800 -0.110 0.000 0.967 183 D HN 0.122 nan 8.370 nan 0.000 0.496 184 I N 1.141 121.584 120.570 -0.212 0.000 2.286 184 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 184 I C 2.555 178.399 176.117 -0.454 0.000 1.104 184 I CA 0.684 61.869 61.300 -0.192 0.000 1.397 184 I CB -1.009 36.930 38.000 -0.102 0.000 1.072 184 I HN -0.122 nan 8.210 nan 0.000 0.417 185 V N 1.246 120.792 119.914 -0.614 0.000 2.379 185 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 185 V C 1.867 177.557 176.094 -0.674 0.000 1.044 185 V CA 1.350 63.012 62.300 -1.063 0.000 1.036 185 V CB -0.726 30.766 31.823 -0.552 0.000 0.664 185 V HN 0.394 nan 8.190 nan 0.000 0.453 186 N N 0.430 118.930 118.700 -0.334 0.000 2.571 186 N HA 0.003 4.743 4.740 -0.000 0.000 0.189 186 N C 0.925 176.365 175.510 -0.117 0.000 1.154 186 N CA 0.304 53.251 53.050 -0.173 0.000 0.907 186 N CB -0.078 38.339 38.487 -0.117 0.000 0.977 186 N HN 0.396 nan 8.380 nan 0.000 0.449 187 S N 1.792 117.405 115.700 -0.145 0.000 2.560 187 S HA 0.090 4.560 4.470 -0.000 0.000 0.284 187 S C -1.091 173.532 174.600 0.039 0.000 1.327 187 S CA -1.108 57.071 58.200 -0.035 0.000 1.055 187 S CB 1.005 64.205 63.200 0.000 0.000 0.868 187 S HN 0.126 nan 8.310 nan 0.000 0.506 188 P HA -0.059 nan 4.420 nan 0.000 0.229 188 P C 0.659 178.009 177.300 0.084 0.000 1.160 188 P CA 0.748 63.883 63.100 0.059 0.000 0.777 188 P CB -0.079 31.642 31.700 0.036 0.000 0.814 189 E N -1.463 118.795 120.200 0.096 0.000 2.489 189 E HA -0.010 4.340 4.350 -0.000 0.000 0.193 189 E C 0.116 176.792 176.600 0.127 0.000 1.057 189 E CA -0.569 55.886 56.400 0.092 0.000 0.866 189 E CB -0.447 29.298 29.700 0.075 0.000 0.916 189 E HN 0.047 nan 8.360 nan 0.000 0.500 190 F N 3.834 123.763 119.950 -0.035 0.000 2.504 190 F HA 0.112 4.639 4.527 -0.000 0.000 0.369 190 F C -1.153 174.579 175.800 -0.113 0.000 1.082 190 F CA -2.585 55.369 58.000 -0.077 0.000 1.216 190 F CB 1.103 40.077 39.000 -0.043 0.000 1.108 190 F HN -0.114 nan 8.300 nan 0.000 0.554 191 P HA -0.171 nan 4.420 nan 0.000 0.216 191 P C -0.621 176.549 177.300 -0.217 0.000 1.153 191 P CA 1.767 64.601 63.100 -0.444 0.000 0.858 191 P CB -0.023 31.169 31.700 -0.845 0.000 0.789 192 F N -4.651 115.278 119.950 -0.035 0.000 2.952 192 F HA 0.501 5.028 4.527 -0.000 0.000 0.329 192 F C -1.287 174.638 175.800 0.208 0.000 1.137 192 F CA -1.993 56.066 58.000 0.098 0.000 0.889 192 F CB 0.293 39.331 39.000 0.064 0.000 1.335 192 F HN -0.464 nan 8.300 nan 0.000 0.449 193 K N 2.043 122.754 120.400 0.518 0.000 2.201 193 K HA 0.637 4.957 4.320 -0.000 0.000 0.278 193 K C -0.509 176.298 176.600 0.345 0.000 1.027 193 K CA -0.921 55.603 56.287 0.395 0.000 0.909 193 K CB 1.894 34.539 32.500 0.242 0.000 1.062 193 K HN 0.701 nan 8.250 nan 0.000 0.465 194 V N -0.303 119.706 119.914 0.158 0.000 2.686 194 V HA 0.858 4.978 4.120 -0.000 0.000 0.295 194 V C 0.247 176.340 176.094 -0.001 0.000 1.057 194 V CA -0.301 62.020 62.300 0.036 0.000 1.012 194 V CB 1.253 32.875 31.823 -0.335 0.000 1.006 194 V HN 0.820 nan 8.190 nan 0.000 0.477 195 G N 2.661 111.482 108.800 0.036 0.000 2.704 195 G HA2 0.586 4.546 3.960 -0.000 0.000 0.293 195 G HA3 0.586 4.546 3.960 -0.000 0.000 0.293 195 G C -1.914 173.065 174.900 0.133 0.000 1.421 195 G CA -0.701 44.446 45.100 0.078 0.000 0.870 195 G HN 0.912 nan 8.290 nan 0.000 0.492 196 F N 1.375 121.326 119.950 0.002 0.000 2.404 196 F HA 0.644 5.171 4.527 -0.000 0.000 0.354 196 F C 0.515 176.336 175.800 0.036 0.000 1.122 196 F CA -1.604 56.405 58.000 0.014 0.000 1.080 196 F CB 1.856 40.879 39.000 0.038 0.000 1.131 196 F HN 0.314 nan 8.300 nan 0.000 0.471 197 K N 4.320 124.462 120.400 -0.430 0.000 2.430 197 K HA 0.096 4.416 4.320 -0.000 0.000 0.280 197 K C 0.139 176.414 176.600 -0.542 0.000 1.063 197 K CA 0.400 56.473 56.287 -0.355 0.000 1.071 197 K CB 0.026 32.419 32.500 -0.178 0.000 0.899 197 K HN 0.767 nan 8.250 nan 0.000 0.473 201 T N -2.394 111.763 114.554 -0.661 0.000 2.926 201 T HA 0.105 4.455 4.350 -0.000 0.000 0.307 201 T C 1.250 175.675 174.700 -0.459 0.000 1.059 201 T CA 0.015 61.643 62.100 -0.787 0.000 1.122 201 T CB 1.257 69.179 68.868 -1.577 0.000 0.972 201 T HN 0.813 nan 8.240 nan 0.000 0.545 202 S N 1.740 117.428 115.700 -0.019 0.000 2.387 202 S HA -0.265 4.205 4.470 -0.000 0.000 0.230 202 S C 1.666 176.347 174.600 0.135 0.000 1.035 202 S CA 1.434 59.806 58.200 0.287 0.000 1.014 202 S CB -1.292 62.285 63.200 0.628 0.000 0.836 202 S HN 0.983 nan 8.310 nan 0.000 0.466 203 Y N -0.229 120.083 120.300 0.020 0.000 2.519 203 Y HA 0.415 4.965 4.550 -0.000 0.000 0.311 203 Y C 1.346 177.115 175.900 -0.220 0.000 1.207 203 Y CA -0.136 57.907 58.100 -0.096 0.000 1.289 203 Y CB -0.810 37.544 38.460 -0.177 0.000 1.059 203 Y HN 0.314 nan 8.280 nan 0.000 0.507 204 H N -0.203 118.739 119.070 -0.213 0.000 2.662 204 H HA 0.513 5.069 4.556 -0.000 0.000 0.268 204 H C 1.703 176.951 175.328 -0.133 0.000 1.152 204 H CA -0.109 55.834 56.048 -0.175 0.000 1.072 204 H CB 0.574 30.142 29.762 -0.323 0.000 1.660 204 H HN 0.485 nan 8.280 nan 0.000 0.584 205 A N 1.144 123.972 122.820 0.013 0.000 1.978 205 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 205 A C 2.149 179.716 177.584 -0.029 0.000 1.170 205 A CA 1.824 53.833 52.037 -0.048 0.000 0.636 205 A CB -0.120 18.855 19.000 -0.042 0.000 0.810 205 A HN 0.450 nan 8.150 nan 0.000 0.448 206 D N 0.249 120.658 120.400 0.016 0.000 2.149 206 D HA -0.189 4.451 4.640 -0.000 0.000 0.198 206 D C 0.928 177.231 176.300 0.005 0.000 0.990 206 D CA 1.488 55.499 54.000 0.018 0.000 0.839 206 D CB -0.788 40.039 40.800 0.045 0.000 0.948 206 D HN 0.393 nan 8.370 nan 0.000 0.460 207 D N -0.217 120.181 120.400 -0.002 0.000 2.348 207 D HA -0.027 4.613 4.640 -0.000 0.000 0.216 207 D C 1.932 178.195 176.300 -0.062 0.000 0.970 207 D CA 0.263 54.237 54.000 -0.045 0.000 0.889 207 D CB 0.681 41.420 40.800 -0.101 0.000 0.912 207 D HN 0.212 nan 8.370 nan 0.000 0.524 208 V N 0.363 120.242 119.914 -0.058 0.000 2.795 208 V HA -0.040 4.080 4.120 -0.000 0.000 0.243 208 V C 2.514 178.587 176.094 -0.034 0.000 1.069 208 V CA 0.392 62.653 62.300 -0.066 0.000 1.089 208 V CB 0.037 31.805 31.823 -0.092 0.000 0.756 208 V HN 0.105 nan 8.190 nan 0.000 0.471 209 L N 0.337 121.554 121.223 -0.011 0.000 1.976 209 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 209 L C 2.382 179.261 176.870 0.015 0.000 1.071 209 L CA 1.866 56.722 54.840 0.027 0.000 0.746 209 L CB -0.558 41.533 42.059 0.054 0.000 0.890 209 L HN 0.296 nan 8.230 nan 0.000 0.432 210 S N -1.186 114.517 115.700 0.005 0.000 2.607 210 S HA -0.024 4.446 4.470 -0.000 0.000 0.224 210 S C 0.687 175.276 174.600 -0.017 0.000 0.969 210 S CA 0.431 58.631 58.200 -0.001 0.000 0.927 210 S CB -0.174 63.026 63.200 0.000 0.000 0.772 210 S HN 0.265 nan 8.310 nan 0.000 0.533 214 K N 1.007 121.391 120.400 -0.027 0.000 2.679 214 K HA 0.468 4.788 4.320 -0.000 0.000 0.188 214 K C -1.205 175.343 176.600 -0.087 0.000 1.055 214 K CA -0.398 55.870 56.287 -0.031 0.000 1.006 214 K CB 1.790 34.273 32.500 -0.028 0.000 1.317 214 K HN -0.093 nan 8.250 nan 0.000 0.584 215 L N 0.214 121.401 121.223 -0.059 0.000 2.298 215 L HA 0.499 4.839 4.340 -0.000 0.000 0.268 215 L C 0.958 177.808 176.870 -0.033 0.000 1.010 215 L CA -0.320 54.428 54.840 -0.154 0.000 0.812 215 L CB 0.721 42.771 42.059 -0.014 0.000 1.331 215 L HN 0.381 nan 8.230 nan 0.000 0.450 216 F N -0.803 119.116 119.950 -0.051 0.000 2.186 216 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 216 F C 1.013 176.836 175.800 0.038 0.000 1.090 216 F CA 0.567 58.537 58.000 -0.049 0.000 1.307 216 F CB -0.076 38.849 39.000 -0.125 0.000 1.019 216 F HN 0.512 nan 8.300 nan 0.000 0.489 217 H N -1.051 118.122 119.070 0.172 0.000 2.615 217 H HA 0.739 5.295 4.556 -0.000 0.000 0.346 217 H C -0.559 174.795 175.328 0.044 0.000 1.200 217 H CA -1.428 54.676 56.048 0.094 0.000 1.264 217 H CB 1.541 31.347 29.762 0.074 0.000 1.699 217 H HN -0.068 nan 8.280 nan 0.000 0.567 218 A N 1.854 124.743 122.820 0.115 0.000 2.347 218 A HA 0.304 4.624 4.320 -0.000 0.000 0.287 218 A C 0.313 177.817 177.584 -0.134 0.000 1.199 218 A CA -0.234 51.805 52.037 0.004 0.000 0.851 218 A CB -0.290 18.710 19.000 0.000 0.000 1.118 218 A HN 0.755 nan 8.150 nan 0.000 0.525 219 S N 1.816 117.454 115.700 -0.104 0.000 2.690 219 S HA 0.797 5.267 4.470 -0.000 0.000 0.291 219 S C -0.946 173.592 174.600 -0.103 0.000 1.138 219 S CA -0.292 57.817 58.200 -0.152 0.000 1.013 219 S CB 1.552 64.693 63.200 -0.098 0.000 1.053 219 S HN 0.818 nan 8.310 nan 0.000 0.539 220 D N -0.739 119.592 120.400 -0.115 0.000 2.492 220 D HA 0.438 5.078 4.640 -0.000 0.000 0.229 220 D C 0.207 176.419 176.300 -0.146 0.000 1.345 220 D CA -0.097 53.833 54.000 -0.116 0.000 0.912 220 D CB 0.131 40.865 40.800 -0.110 0.000 1.526 220 D HN 1.342 nan 8.370 nan 0.000 0.505 221 G N 0.387 109.098 108.800 -0.149 0.000 2.549 221 G HA2 0.073 4.033 3.960 -0.000 0.000 0.404 221 G HA3 0.073 4.033 3.960 -0.000 0.000 0.404 221 G C -1.532 173.371 174.900 0.006 0.000 1.292 221 G CA -0.616 44.375 45.100 -0.181 0.000 0.935 221 G HN 0.556 nan 8.290 nan 0.000 0.512 222 L N -0.566 120.739 121.223 0.136 0.000 2.327 222 L HA 0.766 5.106 4.340 -0.000 0.000 0.258 222 L C -0.374 176.498 176.870 0.004 0.000 1.024 222 L CA -1.221 53.660 54.840 0.068 0.000 0.825 222 L CB 2.164 44.281 42.059 0.096 0.000 1.386 222 L HN 0.540 nan 8.230 nan 0.000 0.417 223 I N 1.468 121.951 120.570 -0.145 0.000 2.447 223 I HA 0.282 4.452 4.170 -0.000 0.000 0.287 223 I C -1.214 174.827 176.117 -0.127 0.000 1.023 223 I CA -0.420 60.837 61.300 -0.072 0.000 1.083 223 I CB 1.675 39.597 38.000 -0.131 0.000 1.245 223 I HN 0.419 nan 8.210 nan 0.000 0.434 224 Y N 4.223 124.613 120.300 0.149 0.000 2.353 224 Y HA 0.340 4.890 4.550 -0.000 0.000 0.340 224 Y C 0.728 176.846 175.900 0.362 0.000 0.972 224 Y CA -0.299 57.979 58.100 0.297 0.000 1.157 224 Y CB 1.518 40.158 38.460 0.300 0.000 1.157 224 Y HN 0.378 nan 8.280 nan 0.000 0.495 225 T N 3.022 117.801 114.554 0.375 0.000 2.771 225 T HA 0.131 4.481 4.350 -0.000 0.000 0.281 225 T C -0.455 174.089 174.700 -0.260 0.000 0.982 225 T CA -0.579 61.580 62.100 0.098 0.000 0.978 225 T CB 0.676 69.571 68.868 0.045 0.000 0.930 225 T HN 0.742 nan 8.240 nan 0.000 0.447 226 C N 3.644 122.588 119.300 -0.595 0.000 2.651 226 C HA 0.445 4.904 4.460 -0.000 0.000 0.410 226 C C 1.687 176.338 174.990 -0.565 0.000 1.372 226 C CA -0.278 58.111 59.018 -1.048 0.000 1.707 226 C CB -1.556 25.789 27.740 -0.657 0.000 2.501 226 C HN 1.023 nan 8.230 nan 0.000 0.598 227 A N 4.300 126.800 122.820 -0.534 0.000 2.278 227 A HA 0.155 4.474 4.320 -0.000 0.000 0.212 227 A C 1.025 178.432 177.584 -0.296 0.000 1.213 227 A CA 0.446 52.200 52.037 -0.473 0.000 0.840 227 A CB -0.225 18.456 19.000 -0.531 0.000 0.866 227 A HN 0.977 nan 8.150 nan 0.000 0.489 228 E N -0.898 119.147 120.200 -0.259 0.000 4.170 228 E HA 0.371 4.721 4.350 -0.000 0.000 0.215 228 E C -0.507 176.009 176.600 -0.140 0.000 1.119 228 E CA -0.315 55.986 56.400 -0.165 0.000 1.396 228 E CB -0.024 29.592 29.700 -0.139 0.000 1.182 228 E HN -0.009 nan 8.360 nan 0.000 0.438 229 T N 0.587 115.057 114.554 -0.140 0.000 2.957 229 T HA 0.337 4.687 4.350 -0.000 0.000 0.336 229 T C -2.870 171.772 174.700 -0.097 0.000 1.462 229 T CA -1.218 60.814 62.100 -0.113 0.000 1.073 229 T CB 1.653 70.444 68.868 -0.128 0.000 1.319 229 T HN -0.017 nan 8.240 nan 0.000 0.485 230 P HA 0.221 nan 4.420 nan 0.000 0.270 230 P C -1.165 176.088 177.300 -0.079 0.000 1.223 230 P CA -0.276 62.784 63.100 -0.066 0.000 0.785 230 P CB 0.192 31.844 31.700 -0.080 0.000 0.923 231 Y N 1.731 121.928 120.300 -0.172 0.000 2.480 231 Y HA 0.265 4.815 4.550 -0.000 0.000 0.338 231 Y C -0.305 175.397 175.900 -0.330 0.000 1.220 231 Y CA 0.457 58.443 58.100 -0.190 0.000 1.430 231 Y CB 0.422 38.786 38.460 -0.160 0.000 1.311 231 Y HN 0.034 nan 8.280 nan 0.000 0.575 232 V N 6.754 126.205 119.914 -0.772 0.000 2.680 232 V HA 0.293 4.413 4.120 -0.000 0.000 0.309 232 V C -0.847 174.946 176.094 -0.501 0.000 1.052 232 V CA -1.197 60.748 62.300 -0.591 0.000 0.908 232 V CB 1.641 33.257 31.823 -0.345 0.000 1.001 232 V HN 0.612 nan 8.190 nan 0.000 0.431 233 F N 3.495 123.399 119.950 -0.077 0.000 2.413 233 F HA 0.624 5.151 4.527 -0.000 0.000 0.359 233 F C 1.179 176.958 175.800 -0.035 0.000 1.122 233 F CA 0.800 58.783 58.000 -0.029 0.000 1.160 233 F CB 0.873 39.878 39.000 0.008 0.000 1.146 233 F HN 0.894 nan 8.300 nan 0.000 0.514 234 G N 2.193 111.082 108.800 0.150 0.000 2.451 234 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.208 234 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.208 234 G C -0.606 174.320 174.900 0.043 0.000 1.248 234 G CA -1.031 44.135 45.100 0.110 0.000 0.989 234 G HN 0.556 nan 8.290 nan 0.000 0.559 235 T N 1.596 116.173 114.554 0.038 0.000 2.902 235 T HA 0.437 4.787 4.350 -0.000 0.000 0.301 235 T C -0.221 174.466 174.700 -0.021 0.000 1.012 235 T CA 1.024 63.134 62.100 0.016 0.000 1.151 235 T CB 1.096 69.978 68.868 0.024 0.000 0.946 235 T HN 0.679 nan 8.240 nan 0.000 0.542 236 D N 2.207 122.584 120.400 -0.038 0.000 2.471 236 D HA 0.156 4.796 4.640 -0.000 0.000 0.245 236 D C 0.841 177.125 176.300 -0.027 0.000 1.116 236 D CA -0.597 53.364 54.000 -0.065 0.000 0.853 236 D CB 1.259 41.984 40.800 -0.125 0.000 1.123 236 D HN 0.257 nan 8.370 nan 0.000 0.540 237 Q N 1.534 121.326 119.800 -0.013 0.000 2.364 237 Q HA -0.067 4.273 4.340 -0.000 0.000 0.209 237 Q C 1.613 177.626 176.000 0.023 0.000 0.977 237 Q CA 1.087 56.899 55.803 0.016 0.000 0.885 237 Q CB -0.275 28.478 28.738 0.026 0.000 0.941 237 Q HN 0.660 nan 8.270 nan 0.000 0.464 238 T N -2.881 111.681 114.554 0.012 0.000 3.051 238 T HA 0.095 4.445 4.350 -0.000 0.000 0.255 238 T C 0.758 175.519 174.700 0.102 0.000 1.085 238 T CA -0.318 61.822 62.100 0.065 0.000 1.109 238 T CB -0.018 68.852 68.868 0.003 0.000 0.921 238 T HN 0.019 nan 8.240 nan 0.000 0.488 239 L N 2.899 124.140 121.223 0.031 0.000 2.325 239 L HA 0.497 4.837 4.340 -0.000 0.000 0.284 239 L C -0.860 176.056 176.870 0.078 0.000 1.089 239 L CA -0.752 54.120 54.840 0.054 0.000 0.836 239 L CB -0.116 41.934 42.059 -0.016 0.000 1.184 239 L HN 0.270 nan 8.230 nan 0.000 0.444 240 L N 5.863 127.190 121.223 0.174 0.000 2.322 240 L HA 0.554 4.894 4.340 -0.000 0.000 0.281 240 L C -0.255 176.788 176.870 0.287 0.000 1.014 240 L CA -0.841 54.109 54.840 0.183 0.000 0.815 240 L CB 1.404 43.565 42.059 0.170 0.000 1.247 240 L HN 0.567 nan 8.230 nan 0.000 0.421 241 K N 1.703 122.252 120.400 0.248 0.000 2.307 241 K HA 0.465 4.785 4.320 -0.000 0.000 0.263 241 K C -1.439 175.336 176.600 0.292 0.000 0.973 241 K CA -0.678 55.734 56.287 0.207 0.000 0.846 241 K CB 1.690 34.242 32.500 0.086 0.000 1.100 241 K HN 0.524 nan 8.250 nan 0.000 0.438 242 W N 3.649 124.977 121.300 0.047 0.000 2.627 242 W HA 0.474 5.134 4.660 -0.000 0.000 0.339 242 W C -1.259 175.220 176.519 -0.066 0.000 1.058 242 W CA -0.668 56.643 57.345 -0.056 0.000 1.223 242 W CB 1.662 30.856 29.460 -0.443 0.000 1.389 242 W HN 0.521 nan 8.180 nan 0.000 0.541 243 K N 5.998 125.630 120.400 -1.281 0.000 2.535 243 K HA 0.234 4.554 4.320 -0.000 0.000 0.250 243 K C -2.559 173.175 176.600 -1.444 0.000 0.948 243 K CA -1.916 53.588 56.287 -1.306 0.000 0.796 243 K CB 2.508 34.678 32.500 -0.550 0.000 1.216 243 K HN 0.230 nan 8.250 nan 0.000 0.432 244 P HA -0.108 nan 4.420 nan 0.000 0.254 244 P C 0.349 177.529 177.300 -0.199 0.000 1.186 244 P CA 0.378 63.214 63.100 -0.440 0.000 0.868 244 P CB 0.680 32.253 31.700 -0.212 0.000 0.856 245 A N 5.421 128.211 122.820 -0.050 0.000 1.948 245 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 245 A C 2.037 179.622 177.584 0.001 0.000 1.177 245 A CA 1.927 53.961 52.037 -0.006 0.000 0.636 245 A CB -1.070 17.973 19.000 0.071 0.000 0.815 245 A HN 0.620 nan 8.150 nan 0.000 0.449 246 E N 0.627 120.841 120.200 0.024 0.000 2.233 246 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 246 E C 0.682 177.270 176.600 -0.020 0.000 1.004 246 E CA 1.386 57.793 56.400 0.012 0.000 0.819 246 E CB -0.459 29.260 29.700 0.033 0.000 0.738 246 E HN 0.924 nan 8.360 nan 0.000 0.478 247 E N 0.922 121.100 120.200 -0.036 0.000 4.044 247 E HA 0.273 4.623 4.350 -0.000 0.000 0.216 247 E C -0.725 175.851 176.600 -0.039 0.000 1.104 247 E CA -0.468 55.908 56.400 -0.039 0.000 1.383 247 E CB -0.020 29.653 29.700 -0.046 0.000 1.195 247 E HN 0.140 nan 8.360 nan 0.000 0.442 248 N N 1.192 119.883 118.700 -0.015 0.000 2.262 248 N HA 0.182 4.922 4.740 -0.000 0.000 0.260 248 N C -0.188 175.339 175.510 0.028 0.000 1.305 248 N CA 0.713 53.756 53.050 -0.012 0.000 0.913 248 N CB 0.706 39.199 38.487 0.011 0.000 1.116 248 N HN 0.352 nan 8.380 nan 0.000 0.512 249 T N -2.487 112.065 114.554 -0.003 0.000 2.933 249 T HA 0.521 4.871 4.350 -0.000 0.000 0.305 249 T C -0.978 173.643 174.700 -0.133 0.000 1.092 249 T CA -0.830 61.254 62.100 -0.026 0.000 1.008 249 T CB 1.432 70.266 68.868 -0.057 0.000 1.102 249 T HN 0.262 nan 8.240 nan 0.000 0.469 250 V N 1.214 120.948 119.914 -0.300 0.000 2.760 250 V HA 0.533 4.653 4.120 -0.000 0.000 0.309 250 V C -1.681 173.933 176.094 -0.801 0.000 1.077 250 V CA -0.806 61.136 62.300 -0.596 0.000 0.910 250 V CB 2.101 33.375 31.823 -0.915 0.000 1.008 250 V HN 1.027 nan 8.190 nan 0.000 0.424 251 D N 6.631 126.673 120.400 -0.597 0.000 2.339 251 D HA 0.383 5.023 4.640 -0.000 0.000 0.241 251 D C -0.456 175.575 176.300 -0.448 0.000 1.183 251 D CA 0.667 54.407 54.000 -0.432 0.000 0.859 251 D CB 0.709 41.379 40.800 -0.216 0.000 1.067 251 D HN 0.456 nan 8.370 nan 0.000 0.484 252 F N 0.324 120.162 119.950 -0.186 0.000 2.497 252 F HA 0.268 4.795 4.527 -0.000 0.000 0.331 252 F C 1.069 176.828 175.800 -0.069 0.000 1.060 252 F CA -1.141 56.754 58.000 -0.176 0.000 0.989 252 F CB 1.544 40.366 39.000 -0.296 0.000 1.245 252 F HN -0.003 nan 8.300 nan 0.000 0.486 253 Q N 2.252 122.184 119.800 0.220 0.000 2.303 253 Q HA 0.357 4.697 4.340 -0.000 0.000 0.257 253 Q C -1.108 174.902 176.000 0.017 0.000 0.941 253 Q CA -0.625 55.242 55.803 0.106 0.000 0.931 253 Q CB 0.991 29.762 28.738 0.054 0.000 1.215 253 Q HN 0.626 nan 8.270 nan 0.000 0.437 254 L N 3.932 125.160 121.223 0.008 0.000 2.562 254 L HA 0.067 4.407 4.340 -0.000 0.000 0.271 254 L C 0.440 177.243 176.870 -0.112 0.000 1.167 254 L CA 0.430 55.195 54.840 -0.125 0.000 0.917 254 L CB 0.326 42.372 42.059 -0.022 0.000 1.187 254 L HN 0.571 nan 8.230 nan 0.000 0.482 255 E N 4.979 125.034 120.200 -0.241 0.000 2.683 255 E HA 0.214 4.564 4.350 -0.000 0.000 0.224 255 E C -1.010 175.469 176.600 -0.201 0.000 1.046 255 E CA -0.654 55.677 56.400 -0.116 0.000 0.811 255 E CB 0.410 30.058 29.700 -0.087 0.000 1.296 255 E HN 0.199 nan 8.360 nan 0.000 0.421 256 F N 1.402 121.300 119.950 -0.088 0.000 2.541 256 F HA 0.026 4.553 4.527 -0.000 0.000 0.378 256 F C 1.133 176.754 175.800 -0.298 0.000 1.068 256 F CA -0.169 57.645 58.000 -0.311 0.000 1.199 256 F CB 0.639 39.289 39.000 -0.583 0.000 1.091 256 F HN 0.024 nan 8.300 nan 0.000 0.555 257 V N 6.294 126.116 119.914 -0.154 0.000 2.125 257 V HA 0.104 4.224 4.120 -0.000 0.000 0.263 257 V C 0.160 176.196 176.094 -0.097 0.000 1.365 257 V CA -0.784 61.473 62.300 -0.072 0.000 1.276 257 V CB -1.541 30.234 31.823 -0.080 0.000 1.350 257 V HN 0.454 nan 8.190 nan 0.000 0.487 258 F N 2.095 122.034 119.950 -0.018 0.000 2.650 258 F HA 0.027 4.554 4.527 -0.000 0.000 0.355 258 F C 1.295 177.015 175.800 -0.133 0.000 1.163 258 F CA 0.387 58.317 58.000 -0.116 0.000 1.374 258 F CB 0.299 39.157 39.000 -0.237 0.000 1.065 258 F HN 0.388 nan 8.300 nan 0.000 0.616 259 N N 2.644 121.376 118.700 0.052 0.000 2.497 259 N HA 0.081 4.821 4.740 -0.000 0.000 0.271 259 N C -0.463 175.012 175.510 -0.059 0.000 1.142 259 N CA -0.198 52.839 53.050 -0.021 0.000 0.965 259 N CB 0.357 38.823 38.487 -0.034 0.000 1.077 259 N HN 0.552 nan 8.380 nan 0.000 0.462 260 E N 0.560 120.710 120.200 -0.083 0.000 2.301 260 E HA 0.378 4.728 4.350 -0.000 0.000 0.275 260 E C -0.513 175.949 176.600 -0.231 0.000 1.030 260 E CA -0.593 55.721 56.400 -0.144 0.000 0.852 260 E CB 1.392 31.031 29.700 -0.102 0.000 1.060 260 E HN 0.186 nan 8.360 nan 0.000 0.401 261 V N 2.479 122.123 119.914 -0.450 0.000 2.588 261 V HA 0.111 4.231 4.120 -0.000 0.000 0.304 261 V C -0.346 175.353 176.094 -0.659 0.000 1.042 261 V CA -0.982 60.956 62.300 -0.603 0.000 0.877 261 V CB 1.712 32.993 31.823 -0.903 0.000 0.996 261 V HN 0.580 nan 8.190 nan 0.000 0.425 262 Q N 3.022 122.626 119.800 -0.327 0.000 2.293 262 Q HA 0.141 4.481 4.340 -0.000 0.000 0.263 262 Q C -0.267 175.698 176.000 -0.060 0.000 1.002 262 Q CA 0.219 55.925 55.803 -0.162 0.000 0.910 262 Q CB 0.702 29.394 28.738 -0.076 0.000 1.185 262 Q HN 0.750 nan 8.270 nan 0.000 0.401 263 D N 6.075 126.517 120.400 0.070 0.000 2.339 263 D HA 0.062 4.702 4.640 -0.000 0.000 0.256 263 D C -1.651 174.722 176.300 0.120 0.000 1.214 263 D CA -1.772 52.373 54.000 0.241 0.000 0.877 263 D CB 1.311 42.276 40.800 0.275 0.000 1.111 263 D HN 0.473 nan 8.370 nan 0.000 0.478 264 P HA -0.083 nan 4.420 nan 0.000 0.222 264 P C 0.318 177.649 177.300 0.052 0.000 1.147 264 P CA 0.668 63.807 63.100 0.065 0.000 0.790 264 P CB 0.528 32.265 31.700 0.061 0.000 0.780 265 D N -0.574 119.861 120.400 0.059 0.000 2.340 265 D HA 0.137 4.777 4.640 -0.000 0.000 0.220 265 D C 0.971 177.295 176.300 0.039 0.000 1.039 265 D CA 0.411 54.435 54.000 0.041 0.000 0.866 265 D CB 0.437 41.257 40.800 0.034 0.000 0.913 265 D HN 0.275 nan 8.370 nan 0.000 0.523 266 L N 0.025 121.276 121.223 0.048 0.000 2.298 266 L HA 0.296 4.636 4.340 -0.000 0.000 0.268 266 L C 0.330 177.219 176.870 0.031 0.000 1.010 266 L CA -0.980 53.884 54.840 0.041 0.000 0.812 266 L CB 1.628 43.719 42.059 0.054 0.000 1.331 266 L HN -0.241 nan 8.230 nan 0.000 0.450 267 D N 0.785 121.200 120.400 0.025 0.000 2.325 267 D HA 0.003 4.643 4.640 -0.000 0.000 0.251 267 D C 0.746 177.055 176.300 0.016 0.000 1.196 267 D CA 0.271 54.282 54.000 0.018 0.000 0.866 267 D CB 1.405 42.214 40.800 0.015 0.000 1.101 267 D HN 0.536 nan 8.370 nan 0.000 0.476 268 E N 3.048 123.255 120.200 0.012 0.000 2.160 268 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 268 E C 1.413 178.015 176.600 0.004 0.000 0.991 268 E CA 0.986 57.389 56.400 0.006 0.000 0.810 268 E CB 0.313 30.014 29.700 0.003 0.000 0.742 268 E HN 0.454 nan 8.360 nan 0.000 0.466 269 R N 0.641 121.144 120.500 0.005 0.000 2.316 269 R HA -0.040 4.300 4.340 -0.000 0.000 0.202 269 R C 0.390 176.694 176.300 0.006 0.000 1.029 269 R CA 0.412 56.515 56.100 0.004 0.000 1.018 269 R CB -0.136 30.166 30.300 0.005 0.000 0.888 269 R HN 0.070 nan 8.270 nan 0.000 0.471 270 D N 1.966 122.371 120.400 0.009 0.000 2.325 270 D HA 0.041 4.681 4.640 -0.000 0.000 0.251 270 D C -1.482 174.824 176.300 0.011 0.000 1.196 270 D CA -2.500 51.508 54.000 0.012 0.000 0.866 270 D CB 1.398 42.208 40.800 0.017 0.000 1.101 270 D HN -0.047 nan 8.370 nan 0.000 0.476 271 P HA -0.076 nan 4.420 nan 0.000 0.236 271 P C 0.516 177.824 177.300 0.014 0.000 1.172 271 P CA 0.758 63.863 63.100 0.009 0.000 0.759 271 P CB -0.045 31.660 31.700 0.008 0.000 0.843 272 T N -6.090 108.476 114.554 0.020 0.000 3.288 272 T HA 0.264 4.614 4.350 -0.000 0.000 0.293 272 T C 1.038 175.762 174.700 0.041 0.000 1.008 272 T CA -0.185 61.934 62.100 0.030 0.000 0.929 272 T CB -0.613 68.275 68.868 0.032 0.000 1.152 272 T HN -0.191 nan 8.240 nan 0.000 0.517 273 S N 2.451 118.171 115.700 0.033 0.000 2.631 273 S HA 0.172 4.642 4.470 -0.000 0.000 0.217 273 S C 1.055 175.686 174.600 0.051 0.000 0.958 273 S CA 0.056 58.285 58.200 0.047 0.000 0.920 273 S CB -0.085 63.134 63.200 0.033 0.000 0.776 273 S HN 0.894 nan 8.310 nan 0.000 0.517 274 T N 0.412 114.981 114.554 0.025 0.000 2.925 274 T HA 0.684 5.034 4.350 -0.000 0.000 0.285 274 T C -0.689 174.031 174.700 0.033 0.000 1.021 274 T CA -0.818 61.255 62.100 -0.045 0.000 1.042 274 T CB 1.211 70.026 68.868 -0.089 0.000 1.037 274 T HN 0.239 nan 8.240 nan 0.000 0.481 275 Y N 0.647 120.947 120.300 0.000 0.000 2.499 275 Y HA 0.725 5.275 4.550 -0.000 0.000 0.347 275 Y C -0.861 175.011 175.900 -0.046 0.000 0.987 275 Y CA -1.960 56.139 58.100 -0.002 0.000 1.044 275 Y CB 0.892 39.364 38.460 0.019 0.000 1.245 275 Y HN 0.662 nan 8.280 nan 0.000 0.461 276 L N 3.102 124.364 121.223 0.065 0.000 2.439 276 L HA 0.170 4.510 4.340 -0.000 0.000 0.269 276 L C -0.119 176.601 176.870 -0.251 0.000 1.179 276 L CA 0.015 54.714 54.840 -0.235 0.000 0.828 276 L CB 0.475 42.172 42.059 -0.602 0.000 1.106 276 L HN 0.723 nan 8.230 nan 0.000 0.467 277 D N 1.564 121.813 120.400 -0.252 0.000 2.454 277 D HA 0.140 4.780 4.640 -0.000 0.000 0.225 277 D C 0.106 176.356 176.300 -0.083 0.000 1.081 277 D CA -0.272 53.700 54.000 -0.047 0.000 0.864 277 D CB 0.788 41.616 40.800 0.047 0.000 1.040 277 D HN 0.294 nan 8.370 nan 0.000 0.517 278 Y N 0.867 121.222 120.300 0.092 0.000 2.503 278 Y HA 0.107 4.657 4.550 -0.000 0.000 0.278 278 Y C 1.105 177.236 175.900 0.384 0.000 1.111 278 Y CA -0.085 58.103 58.100 0.147 0.000 1.270 278 Y CB 0.470 38.847 38.460 -0.138 0.000 1.063 278 Y HN 0.278 nan 8.280 nan 0.000 0.548 279 D N 1.184 121.827 120.400 0.404 0.000 3.038 279 D HA 0.451 5.091 4.640 -0.000 0.000 0.243 279 D C -0.205 176.321 176.300 0.377 0.000 1.245 279 D CA 0.301 54.506 54.000 0.341 0.000 0.871 279 D CB -0.136 40.792 40.800 0.212 0.000 1.089 279 D HN 0.229 nan 8.370 nan 0.000 0.464 280 A N 0.599 123.732 122.820 0.522 0.000 2.582 280 A HA 0.251 4.571 4.320 -0.000 0.000 0.297 280 A C -0.434 177.187 177.584 0.062 0.000 1.059 280 A CA -0.932 51.313 52.037 0.347 0.000 0.705 280 A CB 1.325 20.426 19.000 0.168 0.000 1.279 280 A HN 0.030 nan 8.150 nan 0.000 0.404 281 K N 3.414 123.649 120.400 -0.274 0.000 2.419 281 K HA 0.204 4.524 4.320 -0.000 0.000 0.282 281 K C -2.045 174.211 176.600 -0.574 0.000 1.056 281 K CA -0.994 54.704 56.287 -0.981 0.000 1.035 281 K CB 0.260 32.470 32.500 -0.483 0.000 0.921 281 K HN 0.493 nan 8.250 nan 0.000 0.472 282 P HA -0.037 nan 4.420 nan 0.000 0.267 282 P C -0.527 176.619 177.300 -0.257 0.000 1.205 282 P CA -0.055 62.806 63.100 -0.399 0.000 0.765 282 P CB 0.585 31.974 31.700 -0.518 0.000 0.828 283 N N 1.302 119.907 118.700 -0.158 0.000 2.585 283 N HA -0.066 4.674 4.740 -0.000 0.000 0.188 283 N C 0.451 175.910 175.510 -0.086 0.000 1.102 283 N CA 0.897 53.888 53.050 -0.099 0.000 0.920 283 N CB -0.269 38.178 38.487 -0.066 0.000 0.963 283 N HN 0.383 nan 8.380 nan 0.000 0.447 284 L N 0.090 121.238 121.223 -0.126 0.000 2.614 284 L HA 0.431 4.771 4.340 -0.000 0.000 0.264 284 L C -1.654 175.104 176.870 -0.187 0.000 0.940 284 L CA -0.246 54.519 54.840 -0.125 0.000 0.903 284 L CB 1.583 43.579 42.059 -0.105 0.000 1.306 284 L HN -0.130 nan 8.230 nan 0.000 0.410 285 I N 5.726 126.169 120.570 -0.213 0.000 2.668 285 I HA 0.279 4.449 4.170 -0.000 0.000 0.276 285 I C -0.317 175.613 176.117 -0.311 0.000 1.139 285 I CA -0.709 60.386 61.300 -0.342 0.000 1.133 285 I CB 0.881 38.632 38.000 -0.414 0.000 1.327 285 I HN 0.578 nan 8.210 nan 0.000 0.520 286 K N 5.551 125.790 120.400 -0.268 0.000 2.326 286 K HA 0.567 4.887 4.320 -0.000 0.000 0.275 286 K C -0.833 175.613 176.600 -0.258 0.000 1.018 286 K CA -0.397 55.743 56.287 -0.245 0.000 0.962 286 K CB 1.341 33.728 32.500 -0.188 0.000 0.953 286 K HN 0.408 nan 8.250 nan 0.000 0.475 287 L N 3.824 124.869 121.223 -0.296 0.000 2.287 287 L HA 0.419 4.759 4.340 -0.000 0.000 0.287 287 L C 0.166 176.830 176.870 -0.345 0.000 1.022 287 L CA -0.886 53.749 54.840 -0.342 0.000 0.814 287 L CB 1.019 42.737 42.059 -0.567 0.000 1.217 287 L HN 0.728 nan 8.230 nan 0.000 0.420 288 R N 2.558 122.983 120.500 -0.125 0.000 2.664 288 R HA 0.800 5.140 4.340 -0.000 0.000 0.286 288 R C -1.050 175.352 176.300 0.171 0.000 0.967 288 R CA -0.862 55.241 56.100 0.005 0.000 0.933 288 R CB 1.656 31.997 30.300 0.068 0.000 1.146 288 R HN 0.251 nan 8.270 nan 0.000 0.468 289 V N 1.447 121.461 119.914 0.167 0.000 2.716 289 V HA 0.234 4.354 4.120 -0.000 0.000 0.304 289 V C -0.077 176.073 176.094 0.093 0.000 1.053 289 V CA -0.870 61.537 62.300 0.177 0.000 0.984 289 V CB 1.121 32.988 31.823 0.073 0.000 1.021 289 V HN 0.734 nan 8.190 nan 0.000 0.467 290 W N 1.628 122.755 121.300 -0.288 0.000 2.049 290 W HA 0.374 5.034 4.660 -0.000 0.000 0.356 290 W C 0.914 177.189 176.519 -0.408 0.000 1.323 290 W CA -0.138 56.828 57.345 -0.631 0.000 1.336 290 W CB 0.783 29.967 29.460 -0.459 0.000 1.176 290 W HN 0.637 nan 8.180 nan 0.000 0.623 291 Q N 0.745 119.995 119.800 -0.916 0.000 1.617 291 Q HA 0.244 4.584 4.340 -0.000 0.000 0.159 291 Q C -0.542 175.040 176.000 -0.697 0.000 0.720 291 Q CA 0.455 55.772 55.803 -0.809 0.000 0.740 291 Q CB 0.534 29.013 28.738 -0.432 0.000 1.194 291 Q HN 0.750 nan 8.270 nan 0.000 0.367 292 G N 1.067 109.179 108.800 -1.148 0.000 2.177 292 G HA2 0.202 4.162 3.960 -0.000 0.000 0.202 292 G HA3 0.202 4.162 3.960 -0.000 0.000 0.202 292 G C -0.464 174.298 174.900 -0.230 0.000 1.581 292 G CA -0.345 44.354 45.100 -0.669 0.000 0.983 292 G HN 0.711 nan 8.290 nan 0.000 0.689 293 S N 1.131 116.864 115.700 0.054 0.000 3.371 293 S HA -0.283 4.187 4.470 -0.000 0.000 0.353 293 S C 0.968 175.746 174.600 0.297 0.000 0.849 293 S CA 1.476 59.825 58.200 0.250 0.000 1.356 293 S CB -1.165 62.107 63.200 0.120 0.000 1.217 293 S HN 2.751 nan 8.310 nan 0.000 0.559 294 N N -0.784 118.217 118.700 0.502 0.000 2.690 294 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 294 N C -0.290 175.478 175.510 0.430 0.000 1.125 294 N CA 1.494 54.807 53.050 0.438 0.000 0.794 294 N CB -1.203 37.429 38.487 0.241 0.000 1.152 294 N HN 1.104 nan 8.380 nan 0.000 0.571 295 V N 1.483 121.627 119.914 0.382 0.000 2.334 295 V HA 0.367 4.487 4.120 -0.000 0.000 0.281 295 V C 0.180 176.441 176.094 0.278 0.000 1.016 295 V CA -0.684 61.775 62.300 0.264 0.000 0.832 295 V CB 1.214 33.088 31.823 0.085 0.000 0.999 295 V HN 0.197 nan 8.190 nan 0.000 0.439 296 H N 2.144 121.288 119.070 0.123 0.000 2.616 296 H HA 0.660 5.216 4.556 -0.000 0.000 0.353 296 H C -0.629 174.728 175.328 0.048 0.000 1.170 296 H CA -0.733 55.384 56.048 0.115 0.000 1.212 296 H CB 2.548 32.408 29.762 0.163 0.000 1.653 296 H HN 0.521 nan 8.280 nan 0.000 0.537 297 T N 1.442 116.084 114.554 0.147 0.000 2.893 297 T HA 0.109 4.459 4.350 -0.000 0.000 0.291 297 T C -0.601 174.140 174.700 0.070 0.000 1.028 297 T CA -0.972 61.171 62.100 0.072 0.000 0.995 297 T CB 1.536 70.418 68.868 0.023 0.000 1.051 297 T HN 0.456 nan 8.240 nan 0.000 0.470 298 D N 0.887 121.301 120.400 0.023 0.000 2.419 298 D HA 0.269 4.909 4.640 -0.000 0.000 0.236 298 D C 0.036 176.336 176.300 -0.000 0.000 1.165 298 D CA 0.097 54.087 54.000 -0.017 0.000 0.882 298 D CB 0.646 41.411 40.800 -0.058 0.000 1.201 298 D HN 0.456 nan 8.370 nan 0.000 0.443 299 F N 0.178 119.979 119.950 -0.248 0.000 1.881 299 F HA 0.479 5.006 4.527 -0.000 0.000 0.233 299 F C 0.099 175.715 175.800 -0.307 0.000 1.186 299 F CA 0.358 58.182 58.000 -0.294 0.000 1.298 299 F CB -0.059 38.660 39.000 -0.468 0.000 1.756 299 F HN 0.427 nan 8.300 nan 0.000 0.431 300 A N 0.409 123.138 122.820 -0.152 0.000 2.686 300 A HA 0.704 5.024 4.320 -0.000 0.000 0.263 300 A C -1.517 175.909 177.584 -0.263 0.000 1.264 300 A CA -0.497 51.439 52.037 -0.168 0.000 0.799 300 A CB 1.022 20.078 19.000 0.093 0.000 1.363 300 A HN 0.226 nan 8.150 nan 0.000 0.507 301 K N 0.219 120.453 120.400 -0.275 0.000 2.471 301 K HA 0.649 4.969 4.320 -0.000 0.000 0.252 301 K C -1.335 175.126 176.600 -0.232 0.000 0.938 301 K CA -0.615 55.461 56.287 -0.351 0.000 0.796 301 K CB 1.777 33.962 32.500 -0.525 0.000 1.161 301 K HN 0.520 nan 8.250 nan 0.000 0.425 302 L N 1.825 122.980 121.223 -0.113 0.000 2.467 302 L HA 0.172 4.512 4.340 -0.000 0.000 0.270 302 L C -0.342 176.639 176.870 0.186 0.000 1.205 302 L CA 0.743 55.615 54.840 0.054 0.000 0.828 302 L CB 0.619 42.654 42.059 -0.040 0.000 1.101 302 L HN 0.850 nan 8.230 nan 0.000 0.479 303 D N 3.772 124.336 120.400 0.274 0.000 2.483 303 D HA 0.194 4.834 4.640 -0.000 0.000 0.281 303 D C -0.688 175.693 176.300 0.134 0.000 1.174 303 D CA -0.432 53.728 54.000 0.267 0.000 0.938 303 D CB 0.030 40.968 40.800 0.230 0.000 1.002 303 D HN 0.399 nan 8.370 nan 0.000 0.501 304 L N 1.777 123.066 121.223 0.110 0.000 2.466 304 L HA 0.425 4.765 4.340 -0.000 0.000 0.257 304 L C 0.454 177.385 176.870 0.102 0.000 1.189 304 L CA 0.047 54.957 54.840 0.116 0.000 0.813 304 L CB 1.252 43.402 42.059 0.152 0.000 1.118 304 L HN 0.319 nan 8.230 nan 0.000 0.471 305 S N 0.214 115.990 115.700 0.127 0.000 2.718 305 S HA 0.395 4.865 4.470 -0.000 0.000 0.300 305 S C 0.307 175.004 174.600 0.162 0.000 1.117 305 S CA -0.517 57.749 58.200 0.110 0.000 1.002 305 S CB 1.122 64.377 63.200 0.092 0.000 1.092 305 S HN 0.617 nan 8.310 nan 0.000 0.542 306 D N 0.397 120.877 120.400 0.134 0.000 2.348 306 D HA 0.042 4.682 4.640 -0.000 0.000 0.216 306 D C 0.834 177.252 176.300 0.197 0.000 0.970 306 D CA 0.942 55.047 54.000 0.175 0.000 0.889 306 D CB 0.038 40.909 40.800 0.118 0.000 0.912 306 D HN 0.529 nan 8.370 nan 0.000 0.524 307 D N 0.125 120.617 120.400 0.154 0.000 2.320 307 D HA -0.066 4.574 4.640 -0.000 0.000 0.228 307 D C 1.338 177.720 176.300 0.136 0.000 0.978 307 D CA 0.509 54.582 54.000 0.122 0.000 0.905 307 D CB -0.082 40.769 40.800 0.086 0.000 1.051 307 D HN 0.089 nan 8.370 nan 0.000 0.471 308 D N 0.646 121.137 120.400 0.152 0.000 2.182 308 D HA -0.159 4.481 4.640 -0.000 0.000 0.201 308 D C 1.770 178.203 176.300 0.222 0.000 0.986 308 D CA 0.500 54.595 54.000 0.158 0.000 0.847 308 D CB -0.265 40.628 40.800 0.155 0.000 0.942 308 D HN 0.434 nan 8.370 nan 0.000 0.467 309 W N 1.735 123.089 121.300 0.090 0.000 2.381 309 W HA -0.163 4.497 4.660 -0.000 0.000 0.301 309 W C 1.640 178.211 176.519 0.087 0.000 1.205 309 W CA 0.650 58.056 57.345 0.102 0.000 1.285 309 W CB 0.229 29.748 29.460 0.099 0.000 1.133 309 W HN -0.134 nan 8.180 nan 0.000 0.521 310 E N 0.527 120.700 120.200 -0.044 0.000 2.153 310 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 310 E C 2.118 178.624 176.600 -0.157 0.000 0.988 310 E CA 1.150 57.451 56.400 -0.164 0.000 0.811 310 E CB -0.393 29.302 29.700 -0.010 0.000 0.746 310 E HN 0.392 nan 8.360 nan 0.000 0.466 311 R N 0.311 120.777 120.500 -0.056 0.000 2.066 311 R HA -0.013 4.327 4.340 -0.000 0.000 0.232 311 R C 2.633 178.904 176.300 -0.047 0.000 1.131 311 R CA 0.641 56.727 56.100 -0.022 0.000 0.955 311 R CB -0.747 29.577 30.300 0.040 0.000 0.851 311 R HN 0.236 nan 8.270 nan 0.000 0.432 312 L N 0.739 121.928 121.223 -0.057 0.000 2.131 312 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 312 L C 2.577 179.290 176.870 -0.261 0.000 1.092 312 L CA 1.232 56.044 54.840 -0.047 0.000 0.759 312 L CB -0.290 41.807 42.059 0.063 0.000 0.903 312 L HN 0.170 nan 8.230 nan 0.000 0.435 313 K N 0.019 120.125 120.400 -0.491 0.000 2.314 313 K HA 0.015 4.335 4.320 -0.000 0.000 0.198 313 K C 2.110 178.557 176.600 -0.255 0.000 1.045 313 K CA 0.679 56.665 56.287 -0.501 0.000 0.988 313 K CB 0.168 32.217 32.500 -0.751 0.000 0.783 313 K HN 0.204 nan 8.250 nan 0.000 0.484 314 A N 1.450 124.159 122.820 -0.185 0.000 1.933 314 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 314 A C 0.918 178.451 177.584 -0.085 0.000 1.175 314 A CA 0.752 52.726 52.037 -0.105 0.000 0.628 314 A CB -0.510 18.450 19.000 -0.066 0.000 0.814 314 A HN 0.232 nan 8.150 nan 0.000 0.444 315 L N 0.376 121.550 121.223 -0.083 0.000 2.483 315 L HA 0.091 4.431 4.340 -0.000 0.000 0.275 315 L C 0.218 177.035 176.870 -0.088 0.000 1.220 315 L CA -0.258 54.540 54.840 -0.070 0.000 0.833 315 L CB 0.251 42.274 42.059 -0.061 0.000 1.102 315 L HN 0.264 nan 8.230 nan 0.000 0.490 316 E N 2.922 123.075 120.200 -0.079 0.000 2.698 316 E HA 0.150 4.500 4.350 -0.000 0.000 0.242 316 E C -0.726 175.823 176.600 -0.085 0.000 1.243 316 E CA -0.134 56.218 56.400 -0.080 0.000 1.483 316 E CB 0.352 30.013 29.700 -0.065 0.000 1.495 316 E HN 0.590 nan 8.360 nan 0.000 0.440 317 Q N -0.565 119.177 119.800 -0.097 0.000 2.462 317 Q HA 0.601 4.941 4.340 -0.000 0.000 0.285 317 Q C -2.791 173.152 176.000 -0.095 0.000 1.035 317 Q CA -2.014 53.729 55.803 -0.100 0.000 0.799 317 Q CB 1.492 30.158 28.738 -0.120 0.000 1.452 317 Q HN -0.171 nan 8.270 nan 0.000 0.404 318 P HA 0.067 nan 4.420 nan 0.000 0.269 318 P C -0.330 176.963 177.300 -0.013 0.000 1.215 318 P CA -0.122 62.956 63.100 -0.036 0.000 0.780 318 P CB 1.167 32.855 31.700 -0.021 0.000 0.898 319 L N -0.966 120.294 121.223 0.062 0.000 2.685 319 L HA 0.168 4.508 4.340 -0.000 0.000 0.235 319 L C 1.213 178.290 176.870 0.345 0.000 1.070 319 L CA -0.055 54.874 54.840 0.150 0.000 0.888 319 L CB -0.341 41.695 42.059 -0.038 0.000 1.203 319 L HN 0.326 nan 8.230 nan 0.000 0.499 320 Q N 0.922 120.920 119.800 0.329 0.000 2.337 320 Q HA 0.336 4.676 4.340 -0.000 0.000 0.270 320 Q C 1.002 177.169 176.000 0.279 0.000 1.002 320 Q CA 1.414 57.478 55.803 0.435 0.000 0.888 320 Q CB 0.890 29.877 28.738 0.415 0.000 1.222 320 Q HN 0.358 nan 8.270 nan 0.000 0.400 321 G N 3.499 112.447 108.800 0.247 0.000 2.358 321 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.224 321 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.224 321 G C -0.183 174.789 174.900 0.121 0.000 1.073 321 G CA -0.031 45.142 45.100 0.122 0.000 0.635 321 G HN 0.620 nan 8.290 nan 0.000 0.509 322 R N 0.460 121.085 120.500 0.209 0.000 2.678 322 R HA 0.203 4.543 4.340 -0.000 0.000 0.264 322 R C 0.095 176.532 176.300 0.229 0.000 0.995 322 R CA 0.289 56.538 56.100 0.248 0.000 1.098 322 R CB 0.047 30.612 30.300 0.442 0.000 0.949 322 R HN 0.338 nan 8.270 nan 0.000 0.422 323 I N 1.503 122.188 120.570 0.192 0.000 2.331 323 I HA 0.242 4.412 4.170 -0.000 0.000 0.292 323 I C 0.373 176.561 176.117 0.120 0.000 0.998 323 I CA 0.087 61.460 61.300 0.122 0.000 1.267 323 I CB 1.433 39.469 38.000 0.060 0.000 1.386 323 I HN 0.614 nan 8.210 nan 0.000 0.476 324 A N 5.331 128.175 122.820 0.039 0.000 2.350 324 A HA 0.603 4.923 4.320 -0.000 0.000 0.324 324 A C -0.346 177.190 177.584 -0.081 0.000 1.118 324 A CA -0.638 51.369 52.037 -0.050 0.000 0.783 324 A CB 0.772 19.708 19.000 -0.108 0.000 1.236 324 A HN 0.677 nan 8.150 nan 0.000 0.457 325 E N 1.385 121.530 120.200 -0.093 0.000 2.130 325 E HA 0.468 4.818 4.350 -0.000 0.000 0.284 325 E C -0.870 175.692 176.600 -0.063 0.000 1.018 325 E CA -0.384 55.949 56.400 -0.112 0.000 0.817 325 E CB 0.374 30.026 29.700 -0.080 0.000 1.078 325 E HN 0.707 nan 8.360 nan 0.000 0.396 326 C N 3.311 122.577 119.300 -0.057 0.000 2.913 326 C HA 0.751 5.211 4.460 -0.000 0.000 0.322 326 C C -0.710 174.449 174.990 0.282 0.000 1.292 326 C CA -1.062 58.035 59.018 0.132 0.000 1.649 326 C CB 1.212 29.115 27.740 0.272 0.000 2.139 326 C HN 0.910 nan 8.230 nan 0.000 0.475 327 R N 0.230 120.971 120.500 0.403 0.000 2.673 327 R HA 0.547 4.887 4.340 -0.000 0.000 0.281 327 R C -1.010 175.402 176.300 0.186 0.000 0.991 327 R CA -0.478 55.835 56.100 0.356 0.000 0.896 327 R CB 0.604 30.976 30.300 0.119 0.000 1.201 327 R HN 0.727 nan 8.270 nan 0.000 0.457 328 Q N 1.062 120.632 119.800 -0.382 0.000 2.379 328 Q HA -0.052 4.288 4.340 -0.000 0.000 0.320 328 Q C -0.243 175.545 176.000 -0.353 0.000 1.153 328 Q CA 0.676 55.947 55.803 -0.888 0.000 0.993 328 Q CB 0.412 28.660 28.738 -0.817 0.000 1.265 328 Q HN 0.644 nan 8.270 nan 0.000 0.423 329 S N 0.619 116.128 115.700 -0.318 0.000 2.448 329 S HA 0.021 4.491 4.470 -0.000 0.000 0.279 329 S C 1.092 175.621 174.600 -0.119 0.000 1.195 329 S CA -0.235 57.891 58.200 -0.123 0.000 1.051 329 S CB 0.800 63.974 63.200 -0.043 0.000 0.948 329 S HN 0.663 nan 8.310 nan 0.000 0.493 330 T N 4.101 118.607 114.554 -0.081 0.000 3.077 330 T HA -0.014 4.336 4.350 -0.000 0.000 0.269 330 T C 1.066 175.733 174.700 -0.057 0.000 1.146 330 T CA 1.925 63.986 62.100 -0.064 0.000 1.091 330 T CB -0.192 68.652 68.868 -0.041 0.000 0.892 330 T HN 0.736 nan 8.240 nan 0.000 0.533 331 T N -0.021 114.495 114.554 -0.063 0.000 3.330 331 T HA 0.271 4.621 4.350 -0.000 0.000 0.185 331 T C 0.266 174.920 174.700 -0.075 0.000 0.874 331 T CA -0.511 61.550 62.100 -0.064 0.000 1.268 331 T CB 0.029 68.855 68.868 -0.069 0.000 1.866 331 T HN 0.099 nan 8.240 nan 0.000 0.395 332 K N 3.258 123.591 120.400 -0.112 0.000 2.395 332 K HA 0.069 4.388 4.320 -0.000 0.000 0.283 332 K C -0.154 176.427 176.600 -0.031 0.000 1.068 332 K CA 0.151 56.356 56.287 -0.137 0.000 1.039 332 K CB 0.169 32.454 32.500 -0.359 0.000 0.924 332 K HN 0.192 nan 8.250 nan 0.000 0.468 333 K N 2.010 122.416 120.400 0.010 0.000 2.234 333 K HA 0.007 4.327 4.320 -0.000 0.000 0.251 333 K C 1.150 177.849 176.600 0.166 0.000 1.011 333 K CA 0.533 56.843 56.287 0.039 0.000 0.889 333 K CB 0.195 32.705 32.500 0.016 0.000 1.011 333 K HN 0.893 nan 8.250 nan 0.000 0.505 334 G N -0.321 108.535 108.800 0.092 0.000 2.412 334 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.252 334 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.252 334 G C -0.140 174.848 174.900 0.147 0.000 1.038 334 G CA 0.556 45.723 45.100 0.112 0.000 0.628 334 G HN 0.482 nan 8.290 nan 0.000 0.531 335 Y N -0.959 119.355 120.300 0.023 0.000 2.334 335 Y HA 0.658 5.208 4.550 -0.000 0.000 0.325 335 Y C 0.473 176.393 175.900 0.033 0.000 1.308 335 Y CA -0.762 57.401 58.100 0.104 0.000 1.389 335 Y CB 0.704 39.185 38.460 0.035 0.000 1.328 335 Y HN 0.230 nan 8.280 nan 0.000 0.532 336 W N -0.277 121.135 121.300 0.187 0.000 3.083 336 W HA 0.544 5.204 4.660 -0.000 0.000 0.333 336 W C -0.845 175.748 176.519 0.124 0.000 1.217 336 W CA -0.806 56.631 57.345 0.153 0.000 1.170 336 W CB 1.237 30.811 29.460 0.189 0.000 1.437 336 W HN 0.347 nan 8.180 nan 0.000 0.557 340 R N -1.077 119.373 120.500 -0.083 0.000 2.789 340 R HA 0.405 4.745 4.340 -0.000 0.000 0.279 340 R C -1.797 174.419 176.300 -0.140 0.000 1.010 340 R CA -0.795 55.255 56.100 -0.083 0.000 0.855 340 R CB 0.804 31.108 30.300 0.008 0.000 1.312 340 R HN -0.200 nan 8.270 nan 0.000 0.479 341 F N 0.425 120.396 119.950 0.035 0.000 2.377 341 F HA 0.483 5.010 4.527 -0.000 0.000 0.328 341 F C 1.105 176.910 175.800 0.009 0.000 1.094 341 F CA -0.774 57.246 58.000 0.033 0.000 1.093 341 F CB 1.218 40.242 39.000 0.040 0.000 1.214 341 F HN 0.124 nan 8.300 nan 0.000 0.518 342 R N 2.278 122.928 120.500 0.249 0.000 3.752 342 R HA 0.153 4.493 4.340 -0.000 0.000 0.291 342 R C -0.009 176.345 176.300 0.090 0.000 1.433 342 R CA -0.104 56.062 56.100 0.111 0.000 1.518 342 R CB -0.366 29.962 30.300 0.048 0.000 1.413 342 R HN 0.594 nan 8.270 nan 0.000 0.676 343 N N 1.359 120.111 118.700 0.087 0.000 2.627 343 N HA -0.111 4.628 4.740 -0.000 0.000 0.196 343 N C 0.272 175.785 175.510 0.005 0.000 1.268 343 N CA 0.702 53.767 53.050 0.025 0.000 0.904 343 N CB 0.277 38.764 38.487 0.000 0.000 1.016 343 N HN 0.456 nan 8.380 nan 0.000 0.448 344 D N -1.196 119.207 120.400 0.005 0.000 2.479 344 D HA 0.118 4.758 4.640 -0.000 0.000 0.218 344 D C 0.065 176.346 176.300 -0.032 0.000 1.177 344 D CA -0.002 53.990 54.000 -0.013 0.000 0.830 344 D CB 0.524 41.317 40.800 -0.012 0.000 1.014 344 D HN -0.024 nan 8.370 nan 0.000 0.503 345 K N -0.386 119.994 120.400 -0.033 0.000 2.426 345 K HA 0.452 4.772 4.320 -0.000 0.000 0.251 345 K C -0.027 176.534 176.600 -0.065 0.000 0.941 345 K CA -0.654 55.592 56.287 -0.068 0.000 0.808 345 K CB 2.385 34.836 32.500 -0.082 0.000 1.265 345 K HN -0.275 nan 8.250 nan 0.000 0.432 346 S N 0.516 116.151 115.700 -0.108 0.000 2.483 346 S HA 0.040 4.510 4.470 -0.000 0.000 0.221 346 S C 0.291 174.832 174.600 -0.098 0.000 1.030 346 S CA 0.087 58.236 58.200 -0.085 0.000 0.925 346 S CB -0.000 63.150 63.200 -0.083 0.000 0.795 346 S HN 0.696 nan 8.310 nan 0.000 0.511 347 N N 0.388 118.954 118.700 -0.225 0.000 2.416 347 N HA 0.438 5.178 4.740 -0.000 0.000 0.276 347 N C -0.250 175.119 175.510 -0.235 0.000 1.261 347 N CA -0.718 52.201 53.050 -0.220 0.000 0.790 347 N CB 1.158 39.135 38.487 -0.849 0.000 1.554 347 N HN 0.085 nan 8.380 nan 0.000 0.481 348 G N -0.132 108.673 108.800 0.008 0.000 2.588 348 G HA2 0.155 4.115 3.960 -0.000 0.000 0.278 348 G HA3 0.155 4.115 3.960 -0.000 0.000 0.278 348 G C -0.075 174.789 174.900 -0.060 0.000 1.307 348 G CA -0.729 44.356 45.100 -0.024 0.000 1.016 348 G HN 0.689 nan 8.290 nan 0.000 0.503 349 N N -0.459 118.202 118.700 -0.066 0.000 2.441 349 N HA 0.071 4.811 4.740 -0.000 0.000 0.251 349 N C -0.020 175.598 175.510 0.179 0.000 1.242 349 N CA -0.169 52.882 53.050 0.002 0.000 0.898 349 N CB 0.471 38.880 38.487 -0.129 0.000 1.100 349 N HN 0.595 nan 8.380 nan 0.000 0.443 350 H N 1.133 120.334 119.070 0.218 0.000 2.745 350 H HA 0.015 4.571 4.556 -0.000 0.000 0.373 350 H C 1.136 176.496 175.328 0.053 0.000 1.226 350 H CA 0.245 56.420 56.048 0.212 0.000 1.435 350 H CB 0.619 30.484 29.762 0.171 0.000 1.461 350 H HN 0.577 nan 8.280 nan 0.000 0.616 351 I N 1.347 121.643 120.570 -0.457 0.000 2.361 351 I HA -0.274 3.896 4.170 -0.000 0.000 0.251 351 I C 1.939 178.030 176.117 -0.044 0.000 1.133 351 I CA 1.664 62.833 61.300 -0.219 0.000 1.413 351 I CB -0.279 37.556 38.000 -0.275 0.000 1.073 351 I HN 0.758 nan 8.210 nan 0.000 0.424 352 S N 0.902 116.638 115.700 0.060 0.000 2.344 352 S HA -0.216 4.254 4.470 -0.000 0.000 0.217 352 S C 2.102 176.754 174.600 0.087 0.000 1.033 352 S CA 1.782 60.054 58.200 0.121 0.000 1.017 352 S CB -1.596 61.725 63.200 0.202 0.000 0.941 352 S HN 0.476 nan 8.310 nan 0.000 0.430 353 V N 0.802 120.775 119.914 0.100 0.000 2.392 353 V HA -0.117 4.003 4.120 -0.000 0.000 0.249 353 V C 2.350 178.450 176.094 0.011 0.000 1.059 353 V CA 1.798 64.129 62.300 0.051 0.000 1.051 353 V CB -1.495 30.357 31.823 0.049 0.000 0.658 353 V HN 0.410 nan 8.190 nan 0.000 0.455 354 V N 0.936 120.838 119.914 -0.020 0.000 2.261 354 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 354 V C 2.792 178.897 176.094 0.018 0.000 1.047 354 V CA 2.533 64.784 62.300 -0.081 0.000 1.015 354 V CB -0.947 30.767 31.823 -0.182 0.000 0.642 354 V HN 0.623 nan 8.190 nan 0.000 0.446 355 E N -0.216 120.026 120.200 0.070 0.000 2.333 355 E HA -0.217 4.133 4.350 -0.000 0.000 0.198 355 E C 2.146 178.807 176.600 0.101 0.000 1.007 355 E CA 0.909 57.386 56.400 0.128 0.000 0.845 355 E CB -0.084 29.688 29.700 0.119 0.000 0.766 355 E HN 0.623 nan 8.360 nan 0.000 0.507 356 K N 0.686 121.128 120.400 0.070 0.000 2.029 356 K HA 0.016 4.336 4.320 -0.000 0.000 0.205 356 K C 2.223 178.860 176.600 0.062 0.000 1.042 356 K CA 0.361 56.684 56.287 0.059 0.000 0.949 356 K CB -0.140 32.386 32.500 0.044 0.000 0.740 356 K HN 0.052 nan 8.250 nan 0.000 0.442 357 I N 2.390 122.989 120.570 0.048 0.000 2.530 357 I HA -0.245 3.925 4.170 -0.000 0.000 0.257 357 I C 1.739 177.915 176.117 0.100 0.000 1.179 357 I CA 1.293 62.623 61.300 0.051 0.000 1.440 357 I CB -0.320 37.687 38.000 0.012 0.000 1.087 357 I HN 0.234 nan 8.210 nan 0.000 0.440 358 L N 0.366 121.671 121.223 0.136 0.000 2.012 358 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 358 L C 2.760 179.716 176.870 0.144 0.000 1.073 358 L CA 1.797 56.759 54.840 0.203 0.000 0.748 358 L CB -0.722 41.491 42.059 0.257 0.000 0.891 358 L HN 0.287 nan 8.230 nan 0.000 0.431 359 V N -4.407 115.572 119.914 0.109 0.000 2.490 359 V HA -0.208 3.912 4.120 -0.000 0.000 0.250 359 V C 2.373 178.509 176.094 0.069 0.000 1.061 359 V CA 1.988 64.337 62.300 0.082 0.000 1.064 359 V CB -0.629 31.234 31.823 0.065 0.000 0.670 359 V HN 0.336 nan 8.190 nan 0.000 0.461 360 S N 1.407 117.148 115.700 0.069 0.000 2.370 360 S HA -0.026 4.444 4.470 -0.000 0.000 0.226 360 S C 1.743 176.380 174.600 0.060 0.000 1.033 360 S CA 2.069 60.305 58.200 0.061 0.000 1.011 360 S CB -0.644 62.589 63.200 0.054 0.000 0.852 360 S HN 0.720 nan 8.310 nan 0.000 0.457 361 I N 0.888 121.497 120.570 0.065 0.000 2.850 361 I HA -0.177 3.993 4.170 -0.000 0.000 0.266 361 I C 2.028 178.168 176.117 0.038 0.000 1.257 361 I CA 1.027 62.355 61.300 0.046 0.000 1.465 361 I CB -0.299 37.728 38.000 0.045 0.000 1.091 361 I HN 0.217 nan 8.210 nan 0.000 0.467 362 K N 0.592 121.021 120.400 0.049 0.000 2.323 362 K HA 0.081 4.401 4.320 -0.000 0.000 0.232 362 K C 0.770 177.399 176.600 0.048 0.000 1.068 362 K CA 0.267 56.580 56.287 0.043 0.000 0.892 362 K CB 0.122 32.648 32.500 0.044 0.000 1.207 362 K HN 0.100 nan 8.250 nan 0.000 0.456 363 D N 1.596 122.025 120.400 0.048 0.000 2.344 363 D HA 0.051 4.691 4.640 -0.000 0.000 0.242 363 D C 0.345 176.676 176.300 0.052 0.000 1.159 363 D CA 0.248 54.275 54.000 0.046 0.000 0.859 363 D CB 0.022 40.843 40.800 0.036 0.000 0.925 363 D HN 0.221 nan 8.370 nan 0.000 0.510 364 G N 0.190 109.031 108.800 0.068 0.000 2.389 364 G HA2 0.341 4.301 3.960 -0.000 0.000 0.317 364 G HA3 0.341 4.301 3.960 -0.000 0.000 0.317 364 G C 0.218 175.198 174.900 0.134 0.000 1.137 364 G CA -0.490 44.666 45.100 0.094 0.000 0.870 364 G HN -0.001 nan 8.290 nan 0.000 0.496 365 V N 2.054 122.081 119.914 0.188 0.000 2.506 365 V HA 0.074 4.194 4.120 -0.000 0.000 0.296 365 V C 0.766 177.085 176.094 0.376 0.000 1.004 365 V CA 0.568 63.010 62.300 0.237 0.000 1.150 365 V CB -0.625 31.395 31.823 0.328 0.000 0.911 365 V HN 0.883 nan 8.190 nan 0.000 0.476 366 K N 2.876 123.437 120.400 0.270 0.000 2.295 366 K HA 0.544 4.864 4.320 -0.000 0.000 0.239 366 K C 0.926 177.724 176.600 0.330 0.000 0.991 366 K CA -0.832 55.653 56.287 0.330 0.000 0.845 366 K CB 1.946 34.555 32.500 0.182 0.000 1.197 366 K HN 0.330 nan 8.250 nan 0.000 0.441 367 E N 1.314 121.769 120.200 0.425 0.000 2.086 367 E HA -0.342 4.008 4.350 -0.000 0.000 0.205 367 E C 1.618 178.295 176.600 0.128 0.000 1.027 367 E CA 2.801 59.387 56.400 0.311 0.000 0.830 367 E CB -0.045 29.830 29.700 0.290 0.000 0.751 367 E HN 0.682 nan 8.360 nan 0.000 0.456 368 K N 0.167 120.640 120.400 0.121 0.000 2.113 368 K HA -0.245 4.075 4.320 -0.000 0.000 0.208 368 K C 1.896 178.562 176.600 0.110 0.000 1.047 368 K CA 1.942 58.286 56.287 0.095 0.000 0.928 368 K CB -0.246 32.305 32.500 0.085 0.000 0.716 368 K HN 0.267 nan 8.250 nan 0.000 0.446 369 E N 1.097 121.368 120.200 0.119 0.000 2.016 369 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 369 E C 2.216 178.908 176.600 0.154 0.000 0.985 369 E CA 1.353 57.859 56.400 0.176 0.000 0.802 369 E CB -0.203 29.549 29.700 0.086 0.000 0.762 369 E HN 0.122 nan 8.360 nan 0.000 0.448 370 V N 1.885 121.755 119.914 -0.073 0.000 2.370 370 V HA -0.308 3.812 4.120 -0.000 0.000 0.252 370 V C 2.265 178.352 176.094 -0.012 0.000 1.068 370 V CA 1.753 63.928 62.300 -0.208 0.000 1.061 370 V CB -0.595 30.866 31.823 -0.605 0.000 0.656 370 V HN 0.247 nan 8.190 nan 0.000 0.455 371 I N 0.628 121.214 120.570 0.026 0.000 2.163 371 I HA -0.217 3.953 4.170 -0.000 0.000 0.240 371 I C 2.545 178.722 176.117 0.101 0.000 1.081 371 I CA 1.823 63.157 61.300 0.058 0.000 1.353 371 I CB -0.591 37.438 38.000 0.049 0.000 1.054 371 I HN 0.469 nan 8.210 nan 0.000 0.407 372 E N -0.073 120.202 120.200 0.126 0.000 2.515 372 E HA -0.211 4.139 4.350 -0.000 0.000 0.201 372 E C 1.326 177.947 176.600 0.035 0.000 1.071 372 E CA 0.765 57.209 56.400 0.074 0.000 0.880 372 E CB -0.268 29.470 29.700 0.062 0.000 0.828 372 E HN 0.579 nan 8.360 nan 0.000 0.540 373 W N -0.291 120.999 121.300 -0.018 0.000 2.993 373 W HA 0.243 4.903 4.660 -0.000 0.000 0.290 373 W C 1.827 178.352 176.519 0.009 0.000 1.203 373 W CA -0.475 56.863 57.345 -0.011 0.000 1.582 373 W CB 0.026 29.471 29.460 -0.024 0.000 1.033 373 W HN 0.124 nan 8.180 nan 0.000 0.594 374 C N 1.583 121.002 119.300 0.198 0.000 2.398 374 C HA -0.207 4.253 4.460 -0.000 0.000 0.276 374 C C 0.364 175.413 174.990 0.098 0.000 1.222 374 C CA 1.674 60.791 59.018 0.164 0.000 1.746 374 C CB -1.818 25.996 27.740 0.124 0.000 2.039 374 C HN 0.182 nan 8.230 nan 0.000 0.470 375 P HA -0.147 nan 4.420 nan 0.000 0.217 375 P C 1.040 178.296 177.300 -0.074 0.000 1.150 375 P CA 1.702 64.770 63.100 -0.054 0.000 0.832 375 P CB -0.207 31.454 31.700 -0.064 0.000 0.787 376 K N -0.181 120.174 120.400 -0.075 0.000 2.025 376 K HA -0.054 4.266 4.320 -0.000 0.000 0.207 376 K C 2.434 179.057 176.600 0.039 0.000 1.049 376 K CA 1.177 57.407 56.287 -0.095 0.000 0.933 376 K CB -0.629 31.702 32.500 -0.282 0.000 0.714 376 K HN 0.142 nan 8.250 nan 0.000 0.438 377 I N 1.057 121.722 120.570 0.159 0.000 2.163 377 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 377 I C 2.720 178.957 176.117 0.200 0.000 1.085 377 I CA 1.052 62.504 61.300 0.254 0.000 1.347 377 I CB -0.328 37.883 38.000 0.351 0.000 1.044 377 I HN 0.184 nan 8.210 nan 0.000 0.408 378 S N 0.678 116.370 115.700 -0.013 0.000 2.365 378 S HA -0.236 4.234 4.470 -0.000 0.000 0.225 378 S C 2.218 176.663 174.600 -0.258 0.000 1.039 378 S CA 1.572 59.444 58.200 -0.548 0.000 1.033 378 S CB -0.197 62.538 63.200 -0.776 0.000 0.887 378 S HN 0.305 nan 8.310 nan 0.000 0.447 379 R N 0.564 120.985 120.500 -0.131 0.000 2.083 379 R HA -0.060 4.280 4.340 -0.000 0.000 0.237 379 R C 2.643 178.953 176.300 0.017 0.000 1.137 379 R CA 1.397 57.458 56.100 -0.065 0.000 0.951 379 R CB -0.687 29.577 30.300 -0.060 0.000 0.851 379 R HN 0.513 nan 8.270 nan 0.000 0.434 380 A N 0.750 123.607 122.820 0.061 0.000 2.019 380 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 380 A C 1.802 179.472 177.584 0.144 0.000 1.164 380 A CA 0.914 53.005 52.037 0.090 0.000 0.644 380 A CB -0.711 18.352 19.000 0.106 0.000 0.805 380 A HN 0.551 nan 8.150 nan 0.000 0.449 381 W N 1.262 122.561 121.300 -0.003 0.000 2.380 381 W HA -0.108 4.552 4.660 -0.000 0.000 0.317 381 W C 1.638 178.162 176.519 0.010 0.000 1.196 381 W CA 1.906 59.279 57.345 0.047 0.000 1.307 381 W CB -0.310 29.204 29.460 0.090 0.000 1.157 381 W HN 0.233 nan 8.180 nan 0.000 0.483 382 K N 0.462 121.036 120.400 0.289 0.000 2.103 382 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 382 K C 1.825 178.492 176.600 0.113 0.000 1.048 382 K CA 1.054 57.442 56.287 0.169 0.000 0.930 382 K CB -0.838 31.679 32.500 0.028 0.000 0.716 382 K HN 0.072 nan 8.250 nan 0.000 0.444 383 K N 1.566 122.013 120.400 0.078 0.000 2.103 383 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 383 K C 2.151 178.774 176.600 0.039 0.000 1.048 383 K CA 1.112 57.425 56.287 0.044 0.000 0.930 383 K CB 0.018 32.536 32.500 0.030 0.000 0.716 383 K HN 0.134 nan 8.250 nan 0.000 0.444 384 R N 0.397 120.920 120.500 0.038 0.000 2.057 384 R HA -0.064 4.276 4.340 -0.000 0.000 0.229 384 R C 2.243 178.554 176.300 0.020 0.000 1.136 384 R CA 1.317 57.415 56.100 -0.003 0.000 0.952 384 R CB -0.152 30.099 30.300 -0.083 0.000 0.848 384 R HN 0.308 nan 8.270 nan 0.000 0.430 385 E N 0.492 120.732 120.200 0.068 0.000 2.097 385 E HA -0.269 4.081 4.350 -0.000 0.000 0.196 385 E C 1.726 178.369 176.600 0.070 0.000 1.000 385 E CA 1.612 58.071 56.400 0.098 0.000 0.804 385 E CB -0.259 29.556 29.700 0.191 0.000 0.740 385 E HN 0.274 nan 8.360 nan 0.000 0.454 386 N N 1.240 119.977 118.700 0.063 0.000 2.058 386 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 386 N C 1.358 176.886 175.510 0.031 0.000 1.037 386 N CA 1.854 54.931 53.050 0.044 0.000 0.848 386 N CB -0.055 38.454 38.487 0.036 0.000 1.021 386 N HN 0.021 nan 8.380 nan 0.000 0.422 387 D N -0.283 120.131 120.400 0.024 0.000 2.218 387 D HA -0.103 4.537 4.640 -0.000 0.000 0.204 387 D C 1.924 178.232 176.300 0.014 0.000 0.976 387 D CA 0.624 54.633 54.000 0.015 0.000 0.853 387 D CB -0.147 40.658 40.800 0.008 0.000 0.939 387 D HN 0.407 nan 8.370 nan 0.000 0.481 388 R N 0.275 120.786 120.500 0.017 0.000 2.066 388 R HA -0.000 4.340 4.340 -0.000 0.000 0.232 388 R C 2.337 178.650 176.300 0.021 0.000 1.131 388 R CA 0.758 56.868 56.100 0.016 0.000 0.955 388 R CB 0.111 30.422 30.300 0.020 0.000 0.851 388 R HN 0.029 nan 8.270 nan 0.000 0.432 389 R N 1.207 121.724 120.500 0.028 0.000 2.078 389 R HA -0.027 4.313 4.340 -0.000 0.000 0.224 389 R C 1.194 177.506 176.300 0.021 0.000 1.149 389 R CA 1.359 57.475 56.100 0.027 0.000 0.916 389 R CB -0.725 29.595 30.300 0.032 0.000 0.821 389 R HN 0.377 nan 8.270 nan 0.000 0.434 390 Q N 0.000 119.812 119.800 0.020 0.000 2.315 390 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 390 Q CA 0.000 55.812 55.803 0.015 0.000 1.022 390 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 390 Q HN 0.000 nan 8.270 nan 0.000 0.481