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 2d1g_1_B DATA FIRST_RESID 6 DATA SEQUENCE SKPNDYXXXX XXXQKLFNNA NTLKTTTPIK HVVIIFQENN SFDRYFGMYP DATA SEQUENCE NAKNPEGEPK FVAKENTPNV NGLTKQLLEN NPNTKNPYRL DRNFQPcSQN DATA SEQUENCE HEYHQEISSF NGGLMNKFVE HGGXXXXXXX XXcDGQVMGY YDGNTVTALW DATA SEQUENCE NYAQNFALND NTFGTTFGPS TPGALNLVAG ANGPAMSPSG NLENIENNYI DATA SEQUENCE IDDPNPYYDD cSYGTSKSGD TNTAVAKITD GYNIGHYLTQ KGITWGWFQG DATA SEQUENCE GFKPTSYSGK TAIcDAMSTN KFGVKSRDYI PHHEPFNYWK ETSNPHHLAP DATA SEQUENCE SDDKYIGSND QANHQYDISE FWKALDQNNM PAVSYLKAPG YQDGHGGYSN DATA SEQUENCE PLDEQEWLVN TINRIQQSKD WDSTAIIIIY DDSDGDYDHV YSPKSQFSDI DATA SEQUENCE KGRQGYGPRL PMLVISPYAK ANYVDHSLLN QASVLKFIEY NWGIGSVSKY DATA SEQUENCE SNDKYSNNIL NMFDFNKEQK TLKLILDPKT GLVMXXXXXH HHH 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.621 174.600 0.036 0.000 1.055 6 S CA 0.000 58.222 58.200 0.036 0.000 1.107 6 S CB 0.000 63.204 63.200 0.006 0.000 0.593 7 K N 1.518 121.921 120.400 0.005 0.000 2.469 7 K HA 0.641 4.961 4.320 -0.000 0.000 0.254 7 K C -3.289 173.059 176.600 -0.420 0.000 0.939 7 K CA -2.212 54.007 56.287 -0.114 0.000 0.812 7 K CB 2.044 34.469 32.500 -0.125 0.000 1.301 7 K HN -0.056 nan 8.250 nan 0.000 0.433 8 P HA -0.032 nan 4.420 nan 0.000 0.264 8 P C -0.892 175.735 177.300 -1.122 0.000 1.183 8 P CA 0.249 62.444 63.100 -1.509 0.000 0.763 8 P CB 0.309 31.580 31.700 -0.714 0.000 0.807 9 N N 1.052 118.977 118.700 -1.291 0.000 2.317 9 N HA 0.051 4.791 4.740 -0.000 0.000 0.245 9 N C 0.046 175.058 175.510 -0.830 0.000 1.294 9 N CA -0.335 52.262 53.050 -0.755 0.000 0.924 9 N CB 0.288 38.388 38.487 -0.645 0.000 1.186 9 N HN 0.472 nan 8.380 nan 0.000 0.495 10 D N 0.184 120.337 120.400 -0.410 0.000 2.312 10 D HA 0.083 4.723 4.640 -0.000 0.000 0.252 10 D C -0.761 175.487 176.300 -0.087 0.000 1.150 10 D CA 0.171 53.990 54.000 -0.303 0.000 0.870 10 D CB 0.370 41.112 40.800 -0.097 0.000 1.153 10 D HN 0.318 nan 8.370 nan 0.000 0.457 20 K N 3.133 123.655 120.400 0.202 0.000 2.615 20 K HA 0.351 4.671 4.320 -0.000 0.000 0.249 20 K C -1.451 175.328 176.600 0.298 0.000 0.977 20 K CA -0.636 55.817 56.287 0.276 0.000 0.833 20 K CB 1.392 34.039 32.500 0.246 0.000 1.208 20 K HN 0.493 nan 8.250 nan 0.000 0.443 21 L N 5.968 127.333 121.223 0.236 0.000 2.281 21 L HA 0.363 4.703 4.340 -0.000 0.000 0.285 21 L C -0.855 176.142 176.870 0.213 0.000 1.074 21 L CA -0.070 54.733 54.840 -0.062 0.000 0.817 21 L CB 0.065 41.945 42.059 -0.298 0.000 1.168 21 L HN 0.567 nan 8.230 nan 0.000 0.434 22 F N 3.387 123.305 119.950 -0.053 0.000 2.389 22 F HA 0.279 4.805 4.527 -0.000 0.000 0.337 22 F C 1.166 176.949 175.800 -0.029 0.000 1.112 22 F CA -1.196 56.799 58.000 -0.008 0.000 1.192 22 F CB 0.152 39.175 39.000 0.038 0.000 1.185 22 F HN 0.506 nan 8.300 nan 0.000 0.552 23 N N 1.589 120.383 118.700 0.156 0.000 2.374 23 N HA -0.107 4.633 4.740 -0.000 0.000 0.241 23 N C 0.167 175.734 175.510 0.094 0.000 1.262 23 N CA -0.300 52.797 53.050 0.078 0.000 0.880 23 N CB 0.271 38.777 38.487 0.031 0.000 1.105 23 N HN 0.478 nan 8.380 nan 0.000 0.438 24 N N 1.097 119.836 118.700 0.065 0.000 2.458 24 N HA -0.063 4.676 4.740 -0.000 0.000 0.258 24 N C 0.687 176.249 175.510 0.087 0.000 1.219 24 N CA -0.042 53.054 53.050 0.078 0.000 0.902 24 N CB 0.923 39.446 38.487 0.060 0.000 1.076 24 N HN 0.648 nan 8.380 nan 0.000 0.455 25 A N 4.684 127.574 122.820 0.116 0.000 1.958 25 A HA -0.250 4.069 4.320 -0.000 0.000 0.221 25 A C 1.787 179.376 177.584 0.008 0.000 1.178 25 A CA 1.952 54.036 52.037 0.077 0.000 0.642 25 A CB -0.705 18.332 19.000 0.062 0.000 0.816 25 A HN 0.923 nan 8.150 nan 0.000 0.453 26 N N -0.701 118.024 118.700 0.042 0.000 2.348 26 N HA -0.117 4.623 4.740 -0.000 0.000 0.185 26 N C 1.507 177.018 175.510 0.002 0.000 1.019 26 N CA 1.596 54.661 53.050 0.025 0.000 0.880 26 N CB -0.182 38.362 38.487 0.096 0.000 0.965 26 N HN 0.748 nan 8.380 nan 0.000 0.437 27 T N -2.041 112.520 114.554 0.012 0.000 3.065 27 T HA 0.152 4.502 4.350 -0.000 0.000 0.252 27 T C 0.497 175.187 174.700 -0.017 0.000 1.099 27 T CA -0.169 61.929 62.100 -0.004 0.000 1.063 27 T CB 0.070 68.941 68.868 0.004 0.000 0.948 27 T HN -0.137 nan 8.240 nan 0.000 0.506 28 L N 2.564 123.787 121.223 -0.001 0.000 2.439 28 L HA 0.342 4.682 4.340 -0.000 0.000 0.269 28 L C 0.544 177.376 176.870 -0.064 0.000 1.179 28 L CA -0.415 54.428 54.840 0.006 0.000 0.828 28 L CB 0.669 42.799 42.059 0.117 0.000 1.106 28 L HN 0.072 nan 8.230 nan 0.000 0.467 29 K N 1.937 122.287 120.400 -0.084 0.000 2.383 29 K HA 0.405 4.725 4.320 -0.000 0.000 0.286 29 K C -0.139 176.307 176.600 -0.256 0.000 1.051 29 K CA -0.130 56.063 56.287 -0.157 0.000 0.974 29 K CB -0.320 32.099 32.500 -0.135 0.000 0.968 29 K HN 0.902 nan 8.250 nan 0.000 0.475 30 T N 0.327 114.652 114.554 -0.381 0.000 2.907 30 T HA 0.313 4.663 4.350 -0.000 0.000 0.292 30 T C 1.204 175.560 174.700 -0.574 0.000 1.043 30 T CA -0.599 61.132 62.100 -0.615 0.000 1.003 30 T CB 1.715 70.091 68.868 -0.820 0.000 1.084 30 T HN 0.467 nan 8.240 nan 0.000 0.483 31 T N 1.534 115.675 114.554 -0.688 0.000 2.904 31 T HA 0.098 4.448 4.350 -0.000 0.000 0.267 31 T C 1.239 175.560 174.700 -0.631 0.000 1.059 31 T CA 1.477 63.181 62.100 -0.661 0.000 1.137 31 T CB -0.323 67.970 68.868 -0.959 0.000 0.879 31 T HN 1.011 nan 8.240 nan 0.000 0.467 32 T N -1.215 112.888 114.554 -0.752 0.000 2.940 32 T HA 0.426 4.776 4.350 -0.000 0.000 0.288 32 T C -2.481 171.688 174.700 -0.884 0.000 1.045 32 T CA -2.055 59.459 62.100 -0.976 0.000 1.018 32 T CB 1.770 69.890 68.868 -1.246 0.000 1.151 32 T HN -0.270 nan 8.240 nan 0.000 0.529 33 P HA 0.112 nan 4.420 nan 0.000 0.228 33 P C 0.206 177.173 177.300 -0.554 0.000 1.151 33 P CA 0.322 62.982 63.100 -0.734 0.000 0.770 33 P CB -0.146 30.966 31.700 -0.980 0.000 0.786 34 I N 0.752 120.967 120.570 -0.592 0.000 2.581 34 I HA -0.023 4.147 4.170 -0.000 0.000 0.285 34 I C 1.434 177.361 176.117 -0.317 0.000 1.129 34 I CA 0.553 61.678 61.300 -0.292 0.000 1.397 34 I CB 0.355 38.278 38.000 -0.128 0.000 1.399 34 I HN -0.049 nan 8.210 nan 0.000 0.537 35 K N 5.062 125.380 120.400 -0.137 0.000 2.367 35 K HA 0.160 4.480 4.320 -0.000 0.000 0.195 35 K C -0.231 176.261 176.600 -0.180 0.000 1.060 35 K CA 0.286 56.445 56.287 -0.214 0.000 1.022 35 K CB 0.306 32.610 32.500 -0.327 0.000 0.894 35 K HN 0.595 nan 8.250 nan 0.000 0.540 36 H N -0.982 118.289 119.070 0.335 0.000 2.934 36 H HA 0.318 4.874 4.556 -0.000 0.000 0.340 36 H C -1.308 174.242 175.328 0.370 0.000 1.008 36 H CA -0.609 55.653 56.048 0.357 0.000 1.317 36 H CB 2.281 32.179 29.762 0.227 0.000 1.670 36 H HN -0.251 nan 8.280 nan 0.000 0.516 37 V N 4.649 124.878 119.914 0.525 0.000 2.435 37 V HA 0.547 4.667 4.120 -0.000 0.000 0.290 37 V C -0.853 175.338 176.094 0.162 0.000 1.030 37 V CA -0.556 61.972 62.300 0.380 0.000 0.881 37 V CB 1.343 33.482 31.823 0.527 0.000 0.983 37 V HN 0.597 nan 8.190 nan 0.000 0.445 38 V N 8.073 128.035 119.914 0.080 0.000 2.444 38 V HA 0.512 4.632 4.120 -0.000 0.000 0.294 38 V C -0.325 175.706 176.094 -0.105 0.000 1.022 38 V CA -0.422 61.836 62.300 -0.071 0.000 0.850 38 V CB 1.582 33.356 31.823 -0.081 0.000 0.992 38 V HN 0.739 nan 8.190 nan 0.000 0.426 39 I N 6.047 126.505 120.570 -0.186 0.000 2.330 39 I HA 0.423 4.593 4.170 -0.000 0.000 0.286 39 I C -0.192 175.907 176.117 -0.030 0.000 1.025 39 I CA -0.022 61.214 61.300 -0.107 0.000 1.197 39 I CB 1.171 39.058 38.000 -0.189 0.000 1.358 39 I HN 0.443 nan 8.210 nan 0.000 0.467 40 I N 6.374 126.953 120.570 0.014 0.000 2.287 40 I HA 0.153 4.323 4.170 -0.000 0.000 0.290 40 I C -0.509 175.708 176.117 0.168 0.000 1.069 40 I CA -0.309 61.038 61.300 0.078 0.000 1.237 40 I CB 0.370 38.386 38.000 0.026 0.000 1.418 40 I HN 0.431 nan 8.210 nan 0.000 0.481 41 F N 7.069 127.012 119.950 -0.012 0.000 2.351 41 F HA 0.326 4.853 4.527 -0.000 0.000 0.362 41 F C 0.521 176.244 175.800 -0.128 0.000 1.131 41 F CA -0.559 57.420 58.000 -0.034 0.000 1.187 41 F CB 0.054 39.102 39.000 0.081 0.000 1.434 41 F HN 0.433 nan 8.300 nan 0.000 0.553 42 Q N 2.748 122.266 119.800 -0.471 0.000 2.237 42 Q HA 0.310 4.650 4.340 -0.000 0.000 0.219 42 Q C -0.228 175.367 176.000 -0.676 0.000 0.999 42 Q CA -0.377 55.038 55.803 -0.646 0.000 0.959 42 Q CB 0.964 29.092 28.738 -1.016 0.000 1.173 42 Q HN 0.476 nan 8.270 nan 0.000 0.527 43 E N 1.051 121.083 120.200 -0.280 0.000 2.199 43 E HA 0.228 4.577 4.350 -0.000 0.000 0.269 43 E C -0.792 175.850 176.600 0.070 0.000 0.899 43 E CA -0.657 55.671 56.400 -0.120 0.000 0.772 43 E CB 0.989 30.672 29.700 -0.029 0.000 1.155 43 E HN 0.466 nan 8.360 nan 0.000 0.408 44 N N 2.231 120.898 118.700 -0.055 0.000 2.726 44 N HA -0.157 4.583 4.740 -0.000 0.000 0.253 44 N C -1.395 173.957 175.510 -0.263 0.000 1.059 44 N CA 0.670 53.569 53.050 -0.253 0.000 0.701 44 N CB -0.928 37.222 38.487 -0.561 0.000 0.899 44 N HN 0.448 nan 8.380 nan 0.000 0.548 45 N N -0.680 117.821 118.700 -0.331 0.000 2.369 45 N HA 0.286 5.026 4.740 -0.000 0.000 0.287 45 N C -0.509 174.723 175.510 -0.463 0.000 1.067 45 N CA -0.469 52.226 53.050 -0.591 0.000 0.888 45 N CB 1.589 39.284 38.487 -1.319 0.000 1.616 45 N HN 0.263 nan 8.380 nan 0.000 0.482 46 S N 0.679 116.217 115.700 -0.269 0.000 2.614 46 S HA 0.214 4.684 4.470 -0.000 0.000 0.265 46 S C 1.252 175.788 174.600 -0.108 0.000 1.303 46 S CA -0.563 57.568 58.200 -0.115 0.000 1.000 46 S CB 0.729 63.914 63.200 -0.025 0.000 0.935 46 S HN 0.536 nan 8.310 nan 0.000 0.551 47 F N 1.204 121.080 119.950 -0.123 0.000 2.095 47 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 47 F C 1.877 177.717 175.800 0.066 0.000 1.104 47 F CA 2.209 60.184 58.000 -0.040 0.000 1.232 47 F CB -0.439 38.489 39.000 -0.120 0.000 0.987 47 F HN 0.603 nan 8.300 nan 0.000 0.475 48 D N -0.142 120.367 120.400 0.183 0.000 2.178 48 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 48 D C 2.312 178.667 176.300 0.092 0.000 0.980 48 D CA 0.996 55.090 54.000 0.156 0.000 0.842 48 D CB -0.410 40.474 40.800 0.141 0.000 0.948 48 D HN 0.321 nan 8.370 nan 0.000 0.472 49 R N -0.752 119.783 120.500 0.058 0.000 2.096 49 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 49 R C 1.657 178.121 176.300 0.274 0.000 1.127 49 R CA 1.155 57.319 56.100 0.107 0.000 0.968 49 R CB -0.072 30.220 30.300 -0.013 0.000 0.861 49 R HN 0.164 nan 8.270 nan 0.000 0.440 50 Y N -1.547 118.701 120.300 -0.087 0.000 2.441 50 Y HA 0.133 4.683 4.550 -0.000 0.000 0.288 50 Y C 0.948 176.622 175.900 -0.376 0.000 1.118 50 Y CA 0.380 58.358 58.100 -0.203 0.000 1.215 50 Y CB 0.329 38.636 38.460 -0.255 0.000 1.118 50 Y HN -0.018 nan 8.280 nan 0.000 0.547 51 F N -1.823 118.024 119.950 -0.172 0.000 2.746 51 F HA 0.334 4.861 4.527 -0.000 0.000 0.320 51 F C 2.060 177.726 175.800 -0.223 0.000 1.097 51 F CA 0.096 57.852 58.000 -0.406 0.000 1.195 51 F CB -0.048 38.279 39.000 -1.121 0.000 1.056 51 F HN -0.098 nan 8.300 nan 0.000 0.562 52 G N 0.292 109.119 108.800 0.046 0.000 2.432 52 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 52 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 52 G C 1.511 176.434 174.900 0.039 0.000 1.135 52 G CA 0.750 45.922 45.100 0.120 0.000 0.767 52 G HN 0.104 nan 8.290 nan 0.000 0.550 53 M N -0.605 119.016 119.600 0.034 0.000 2.428 53 M HA 0.298 4.778 4.480 -0.000 0.000 0.239 53 M C 0.228 176.582 176.300 0.089 0.000 1.121 53 M CA -1.006 54.305 55.300 0.019 0.000 1.019 53 M CB -0.410 32.161 32.600 -0.048 0.000 1.485 53 M HN 0.253 nan 8.290 nan 0.000 0.484 54 Y N 4.608 124.745 120.300 -0.273 0.000 2.610 54 Y HA 0.081 4.631 4.550 -0.000 0.000 0.332 54 Y C -1.623 174.063 175.900 -0.357 0.000 1.201 54 Y CA -0.811 56.769 58.100 -0.866 0.000 1.465 54 Y CB 0.657 38.595 38.460 -0.869 0.000 1.283 54 Y HN 0.044 nan 8.280 nan 0.000 0.563 55 P HA 0.190 nan 4.420 nan 0.000 0.228 55 P C -1.525 175.708 177.300 -0.111 0.000 1.873 55 P CA -0.144 62.313 63.100 -1.072 0.000 1.033 55 P CB 0.038 31.099 31.700 -1.064 0.000 1.707 56 N N 0.999 119.749 118.700 0.082 0.000 2.417 56 N HA 0.506 5.246 4.740 -0.000 0.000 0.274 56 N C -0.469 175.274 175.510 0.389 0.000 0.987 56 N CA -0.350 52.852 53.050 0.253 0.000 0.912 56 N CB 2.373 40.931 38.487 0.118 0.000 1.177 56 N HN 0.113 nan 8.380 nan 0.000 0.490 57 A N 1.262 124.287 122.820 0.341 0.000 2.337 57 A HA 0.356 4.676 4.320 -0.000 0.000 0.331 57 A C 1.180 178.839 177.584 0.125 0.000 1.137 57 A CA -0.653 51.482 52.037 0.162 0.000 0.807 57 A CB 1.586 20.653 19.000 0.111 0.000 1.250 57 A HN 0.623 nan 8.150 nan 0.000 0.468 58 K N 0.595 121.039 120.400 0.074 0.000 2.097 58 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 58 K C -0.332 176.303 176.600 0.057 0.000 1.049 58 K CA 1.319 57.645 56.287 0.065 0.000 0.933 58 K CB -0.154 32.374 32.500 0.047 0.000 0.717 58 K HN 0.784 nan 8.250 nan 0.000 0.442 59 N N 1.347 120.078 118.700 0.051 0.000 2.696 59 N HA -0.115 4.624 4.740 -0.000 0.000 0.256 59 N C -2.595 172.936 175.510 0.034 0.000 1.031 59 N CA 0.843 53.921 53.050 0.048 0.000 0.730 59 N CB -1.045 37.478 38.487 0.060 0.000 0.894 59 N HN 0.396 nan 8.380 nan 0.000 0.544 60 P HA 0.288 nan 4.420 nan 0.000 0.276 60 P C 0.174 177.488 177.300 0.024 0.000 1.261 60 P CA 0.031 63.147 63.100 0.026 0.000 0.800 60 P CB 0.434 32.149 31.700 0.026 0.000 1.066 61 E N -0.569 119.645 120.200 0.024 0.000 2.452 61 E HA 0.336 4.686 4.350 -0.000 0.000 0.261 61 E C 1.314 177.928 176.600 0.023 0.000 0.987 61 E CA 0.237 56.650 56.400 0.021 0.000 0.926 61 E CB -1.212 28.500 29.700 0.020 0.000 0.934 61 E HN 0.884 nan 8.360 nan 0.000 0.452 62 G N 1.586 110.398 108.800 0.019 0.000 2.179 62 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.260 62 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.260 62 G C 0.266 175.178 174.900 0.019 0.000 0.977 62 G CA 0.523 45.634 45.100 0.019 0.000 0.641 62 G HN 0.738 nan 8.290 nan 0.000 0.533 63 E N 0.930 121.141 120.200 0.018 0.000 2.214 63 E HA 0.446 4.796 4.350 -0.000 0.000 0.274 63 E C -2.529 174.076 176.600 0.008 0.000 0.977 63 E CA -2.219 54.188 56.400 0.012 0.000 0.827 63 E CB 1.240 30.946 29.700 0.010 0.000 1.130 63 E HN 0.039 nan 8.360 nan 0.000 0.394 64 P HA -0.099 nan 4.420 nan 0.000 0.260 64 P C -0.733 176.585 177.300 0.029 0.000 1.172 64 P CA 0.508 63.612 63.100 0.006 0.000 0.760 64 P CB 0.284 31.978 31.700 -0.010 0.000 0.773 65 K N 3.588 124.011 120.400 0.038 0.000 2.249 65 K HA 0.326 4.646 4.320 -0.000 0.000 0.280 65 K C -1.051 175.616 176.600 0.112 0.000 1.033 65 K CA -0.371 55.951 56.287 0.059 0.000 0.946 65 K CB 0.189 32.704 32.500 0.024 0.000 1.005 65 K HN 0.275 nan 8.250 nan 0.000 0.469 66 F N 4.862 124.815 119.950 0.005 0.000 2.493 66 F HA 0.448 4.975 4.527 -0.000 0.000 0.329 66 F C -1.458 174.377 175.800 0.059 0.000 1.126 66 F CA -0.660 57.368 58.000 0.047 0.000 0.937 66 F CB 1.410 40.461 39.000 0.085 0.000 1.146 66 F HN 0.155 nan 8.300 nan 0.000 0.442 67 V N 5.909 125.450 119.914 -0.622 0.000 2.524 67 V HA 0.630 4.750 4.120 -0.000 0.000 0.297 67 V C -0.094 175.626 176.094 -0.623 0.000 1.035 67 V CA -0.924 61.147 62.300 -0.381 0.000 0.867 67 V CB 1.312 33.020 31.823 -0.191 0.000 1.004 67 V HN 1.028 nan 8.190 nan 0.000 0.426 68 A N 4.903 127.526 122.820 -0.329 0.000 2.462 68 A HA 0.430 4.750 4.320 -0.000 0.000 0.243 68 A C 0.426 177.908 177.584 -0.169 0.000 1.076 68 A CA -0.095 51.810 52.037 -0.219 0.000 0.773 68 A CB 0.109 19.089 19.000 -0.034 0.000 1.010 68 A HN 0.833 nan 8.150 nan 0.000 0.493 69 K N 0.982 121.304 120.400 -0.129 0.000 2.380 69 K HA 0.184 4.504 4.320 -0.000 0.000 0.267 69 K C 0.411 176.979 176.600 -0.054 0.000 0.990 69 K CA 0.032 56.272 56.287 -0.080 0.000 0.946 69 K CB 0.384 32.857 32.500 -0.045 0.000 0.937 69 K HN 0.696 nan 8.250 nan 0.000 0.491 70 E N 1.662 121.837 120.200 -0.043 0.000 2.413 70 E HA -0.056 4.294 4.350 -0.000 0.000 0.263 70 E C -0.303 176.287 176.600 -0.018 0.000 1.015 70 E CA 0.283 56.665 56.400 -0.029 0.000 0.916 70 E CB -0.232 29.453 29.700 -0.024 0.000 0.947 70 E HN 0.769 nan 8.360 nan 0.000 0.440 71 N N 0.448 119.140 118.700 -0.013 0.000 2.747 71 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 71 N C -0.633 174.880 175.510 0.005 0.000 1.107 71 N CA 0.621 53.670 53.050 -0.002 0.000 0.707 71 N CB -1.451 37.039 38.487 0.005 0.000 1.054 71 N HN 0.441 nan 8.380 nan 0.000 0.555 72 T N 1.785 116.334 114.554 -0.007 0.000 2.817 72 T HA 0.237 4.587 4.350 -0.000 0.000 0.295 72 T C -1.757 172.950 174.700 0.012 0.000 0.958 72 T CA -0.546 61.557 62.100 0.005 0.000 1.157 72 T CB 0.625 69.462 68.868 -0.052 0.000 0.898 72 T HN 0.019 nan 8.240 nan 0.000 0.536 73 P HA 0.176 nan 4.420 nan 0.000 0.272 73 P C 0.093 177.429 177.300 0.060 0.000 1.230 73 P CA -0.570 62.543 63.100 0.022 0.000 0.788 73 P CB 0.534 32.209 31.700 -0.042 0.000 0.949 74 N N -0.067 118.671 118.700 0.062 0.000 2.515 74 N HA 0.297 5.037 4.740 -0.000 0.000 0.279 74 N C -0.454 175.146 175.510 0.149 0.000 1.164 74 N CA -0.315 52.786 53.050 0.086 0.000 0.982 74 N CB 0.963 39.475 38.487 0.042 0.000 1.170 74 N HN 0.193 nan 8.380 nan 0.000 0.474 75 V N -0.605 119.413 119.914 0.174 0.000 2.850 75 V HA 0.418 4.538 4.120 -0.000 0.000 0.315 75 V C 0.444 176.614 176.094 0.125 0.000 1.064 75 V CA -1.127 61.290 62.300 0.195 0.000 0.979 75 V CB 1.564 33.587 31.823 0.333 0.000 1.039 75 V HN 0.547 nan 8.190 nan 0.000 0.452 76 N N 2.343 121.073 118.700 0.049 0.000 2.605 76 N HA 0.409 5.149 4.740 -0.000 0.000 0.282 76 N C 0.102 175.754 175.510 0.238 0.000 1.206 76 N CA 0.881 53.964 53.050 0.055 0.000 1.074 76 N CB -0.080 38.376 38.487 -0.052 0.000 1.434 76 N HN 1.106 nan 8.380 nan 0.000 0.506 77 G N 0.972 109.906 108.800 0.222 0.000 3.211 77 G HA2 0.457 4.417 3.960 -0.000 0.000 0.167 77 G HA3 0.457 4.417 3.960 -0.000 0.000 0.167 77 G C -0.702 174.196 174.900 -0.004 0.000 1.212 77 G CA -0.671 44.590 45.100 0.269 0.000 0.928 77 G HN 0.366 nan 8.290 nan 0.000 0.607 78 L N 2.443 123.655 121.223 -0.019 0.000 2.312 78 L HA 0.283 4.623 4.340 -0.000 0.000 0.287 78 L C 1.179 177.985 176.870 -0.107 0.000 1.091 78 L CA -0.610 54.166 54.840 -0.107 0.000 0.846 78 L CB 0.311 42.303 42.059 -0.112 0.000 1.219 78 L HN 0.663 nan 8.230 nan 0.000 0.439 79 T N -1.505 112.973 114.554 -0.127 0.000 2.726 79 T HA 0.080 4.430 4.350 -0.000 0.000 0.294 79 T C 1.167 175.833 174.700 -0.056 0.000 1.013 79 T CA -0.561 61.490 62.100 -0.083 0.000 0.996 79 T CB 1.332 70.148 68.868 -0.087 0.000 1.016 79 T HN 0.534 nan 8.240 nan 0.000 0.529 80 K N 0.062 120.440 120.400 -0.037 0.000 2.063 80 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 80 K C 2.403 178.992 176.600 -0.017 0.000 1.048 80 K CA 1.795 58.070 56.287 -0.020 0.000 0.928 80 K CB -0.212 32.281 32.500 -0.013 0.000 0.713 80 K HN 0.633 nan 8.250 nan 0.000 0.442 81 Q N 0.404 120.190 119.800 -0.024 0.000 2.079 81 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 81 Q C 2.059 178.049 176.000 -0.016 0.000 0.974 81 Q CA 1.211 57.003 55.803 -0.018 0.000 0.840 81 Q CB -0.021 28.706 28.738 -0.018 0.000 0.898 81 Q HN 0.283 nan 8.270 nan 0.000 0.430 82 L N -0.357 120.848 121.223 -0.030 0.000 2.109 82 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 82 L C 2.025 178.894 176.870 -0.002 0.000 1.086 82 L CA 0.765 55.597 54.840 -0.014 0.000 0.760 82 L CB -0.287 41.745 42.059 -0.045 0.000 0.910 82 L HN 0.243 nan 8.230 nan 0.000 0.437 83 L N -0.759 120.461 121.223 -0.005 0.000 2.093 83 L HA -0.159 4.180 4.340 -0.000 0.000 0.208 83 L C 2.186 179.071 176.870 0.025 0.000 1.085 83 L CA 1.324 56.177 54.840 0.023 0.000 0.755 83 L CB -0.229 41.841 42.059 0.019 0.000 0.904 83 L HN 0.295 nan 8.230 nan 0.000 0.435 84 E N -0.825 119.380 120.200 0.009 0.000 2.372 84 E HA 0.041 4.391 4.350 -0.000 0.000 0.201 84 E C 0.156 176.756 176.600 -0.001 0.000 0.938 84 E CA 0.176 56.581 56.400 0.008 0.000 0.944 84 E CB 0.379 30.083 29.700 0.007 0.000 0.937 84 E HN 0.421 nan 8.360 nan 0.000 0.495 85 N N 1.272 119.969 118.700 -0.004 0.000 2.642 85 N HA 0.078 4.817 4.740 -0.000 0.000 0.308 85 N C -0.993 174.513 175.510 -0.007 0.000 1.914 85 N CA -0.159 52.888 53.050 -0.005 0.000 0.893 85 N CB 0.559 39.045 38.487 -0.002 0.000 1.322 85 N HN -0.015 nan 8.380 nan 0.000 0.490 86 N N 1.215 119.902 118.700 -0.021 0.000 2.454 86 N HA 0.043 4.783 4.740 -0.000 0.000 0.254 86 N C -1.542 173.959 175.510 -0.015 0.000 1.228 86 N CA -0.914 52.115 53.050 -0.036 0.000 0.900 86 N CB 1.191 39.606 38.487 -0.121 0.000 1.089 86 N HN 0.085 nan 8.380 nan 0.000 0.449 87 P HA 0.002 nan 4.420 nan 0.000 0.226 87 P C -0.082 177.245 177.300 0.044 0.000 1.153 87 P CA 0.708 63.831 63.100 0.039 0.000 0.777 87 P CB 0.201 31.947 31.700 0.076 0.000 0.794 88 N N -0.757 117.954 118.700 0.020 0.000 2.354 88 N HA 0.012 4.752 4.740 -0.000 0.000 0.246 88 N C 1.427 176.941 175.510 0.007 0.000 1.285 88 N CA 0.800 53.870 53.050 0.033 0.000 0.925 88 N CB 0.426 38.902 38.487 -0.019 0.000 1.174 88 N HN 0.065 nan 8.380 nan 0.000 0.478 89 T N -2.453 112.114 114.554 0.022 0.000 3.085 89 T HA -0.013 4.337 4.350 -0.000 0.000 0.263 89 T C 0.633 175.325 174.700 -0.014 0.000 1.127 89 T CA 0.888 62.992 62.100 0.006 0.000 1.103 89 T CB 0.351 69.226 68.868 0.012 0.000 0.921 89 T HN 0.399 nan 8.240 nan 0.000 0.510 90 K N 0.889 121.275 120.400 -0.023 0.000 2.427 90 K HA 0.374 4.694 4.320 -0.000 0.000 0.252 90 K C -1.036 175.531 176.600 -0.054 0.000 0.931 90 K CA -0.846 55.419 56.287 -0.037 0.000 0.793 90 K CB 1.216 33.698 32.500 -0.031 0.000 1.211 90 K HN -0.060 nan 8.250 nan 0.000 0.426 91 N N 3.127 121.806 118.700 -0.035 0.000 2.482 91 N HA 0.208 4.948 4.740 -0.000 0.000 0.260 91 N C -2.528 173.007 175.510 0.041 0.000 1.236 91 N CA -1.338 51.698 53.050 -0.024 0.000 0.938 91 N CB 0.516 39.008 38.487 0.009 0.000 1.128 91 N HN 0.419 nan 8.380 nan 0.000 0.448 92 P HA -0.006 nan 4.420 nan 0.000 0.266 92 P C -0.975 176.495 177.300 0.283 0.000 1.193 92 P CA 0.678 63.876 63.100 0.164 0.000 0.770 92 P CB 0.116 31.951 31.700 0.224 0.000 0.836 93 Y N -0.407 119.845 120.300 -0.080 0.000 2.597 93 Y HA 0.549 5.098 4.550 -0.000 0.000 0.340 93 Y C -0.503 174.779 175.900 -1.030 0.000 1.097 93 Y CA -1.824 56.080 58.100 -0.326 0.000 1.037 93 Y CB 1.247 39.569 38.460 -0.230 0.000 1.305 93 Y HN 0.152 nan 8.280 nan 0.000 0.463 94 R N 3.344 123.255 120.500 -0.983 0.000 2.296 94 R HA 0.413 4.752 4.340 -0.000 0.000 0.323 94 R C -1.080 174.823 176.300 -0.660 0.000 1.067 94 R CA -0.313 55.147 56.100 -1.067 0.000 0.946 94 R CB 0.145 30.192 30.300 -0.421 0.000 0.991 94 R HN 0.895 nan 8.270 nan 0.000 0.448 95 L N 3.362 124.092 121.223 -0.820 0.000 2.439 95 L HA 0.099 4.439 4.340 -0.000 0.000 0.269 95 L C 0.404 177.135 176.870 -0.232 0.000 1.179 95 L CA 0.082 54.567 54.840 -0.591 0.000 0.828 95 L CB 0.731 42.199 42.059 -0.984 0.000 1.106 95 L HN 0.638 nan 8.230 nan 0.000 0.467 96 D N 0.300 120.619 120.400 -0.135 0.000 2.255 96 D HA 0.106 4.746 4.640 -0.000 0.000 0.249 96 D C 1.146 177.570 176.300 0.206 0.000 1.078 96 D CA -0.441 53.566 54.000 0.011 0.000 0.896 96 D CB 0.913 41.654 40.800 -0.098 0.000 1.194 96 D HN 0.437 nan 8.370 nan 0.000 0.429 97 R N 2.238 122.860 120.500 0.204 0.000 2.235 97 R HA -0.040 4.300 4.340 -0.000 0.000 0.213 97 R C 0.295 176.780 176.300 0.308 0.000 1.059 97 R CA 0.978 57.205 56.100 0.213 0.000 0.997 97 R CB -0.239 30.119 30.300 0.097 0.000 0.884 97 R HN 0.317 nan 8.270 nan 0.000 0.462 98 N N -0.514 118.384 118.700 0.329 0.000 2.398 98 N HA 0.108 4.848 4.740 -0.000 0.000 0.188 98 N C -1.037 174.497 175.510 0.040 0.000 1.122 98 N CA 0.315 53.548 53.050 0.306 0.000 0.866 98 N CB 0.233 38.855 38.487 0.224 0.000 0.970 98 N HN 0.035 nan 8.380 nan 0.000 0.462 99 F N 0.284 120.077 119.950 -0.262 0.000 2.492 99 F HA 0.356 4.883 4.527 0.000 0.000 0.327 99 F C 0.449 175.736 175.800 -0.853 0.000 1.079 99 F CA -1.419 56.314 58.000 -0.444 0.000 0.967 99 F CB 1.209 40.099 39.000 -0.183 0.000 1.169 99 F HN -0.217 nan 8.300 nan 0.000 0.472 100 Q N 5.287 124.671 119.800 -0.693 0.000 2.307 100 Q HA 0.291 4.631 4.340 -0.000 0.000 0.261 100 Q C -2.575 173.371 176.000 -0.090 0.000 1.051 100 Q CA -1.785 53.717 55.803 -0.502 0.000 0.911 100 Q CB 0.543 29.154 28.738 -0.211 0.000 1.227 100 Q HN 0.182 nan 8.270 nan 0.000 0.418 101 P HA 0.103 nan 4.420 nan 0.000 0.275 101 P C -0.562 176.794 177.300 0.093 0.000 1.227 101 P CA -0.333 62.818 63.100 0.084 0.000 0.781 101 P CB 0.746 32.551 31.700 0.174 0.000 0.906 102 c N 1.265 119.918 118.600 0.090 0.000 2.563 102 c HA 0.364 4.934 4.570 -0.000 0.000 0.358 102 c C 1.346 175.511 174.090 0.125 0.000 1.336 102 c CA -0.052 56.344 56.329 0.113 0.000 2.454 102 c CB 0.516 43.089 42.510 0.105 0.000 2.448 102 c HN 0.635 nan 8.230 nan 0.000 0.670 103 S N 0.539 116.343 115.700 0.173 0.000 2.508 103 S HA 0.400 4.870 4.470 -0.000 0.000 0.284 103 S C -0.364 174.356 174.600 0.200 0.000 1.192 103 S CA -0.288 58.029 58.200 0.194 0.000 1.070 103 S CB 0.562 63.986 63.200 0.373 0.000 1.004 103 S HN 0.683 nan 8.310 nan 0.000 0.493 104 Q N 2.192 122.106 119.800 0.190 0.000 2.189 104 Q HA 0.416 4.756 4.340 -0.000 0.000 0.193 104 Q C -0.100 176.085 176.000 0.307 0.000 1.034 104 Q CA -0.425 55.508 55.803 0.216 0.000 1.062 104 Q CB 0.391 29.247 28.738 0.197 0.000 1.118 104 Q HN 0.709 nan 8.270 nan 0.000 0.569 105 N N 1.301 120.143 118.700 0.236 0.000 2.420 105 N HA 0.024 4.764 4.740 -0.000 0.000 0.249 105 N C -0.807 174.823 175.510 0.200 0.000 1.033 105 N CA 0.088 53.226 53.050 0.147 0.000 0.944 105 N CB 0.334 38.887 38.487 0.110 0.000 1.113 105 N HN 0.576 nan 8.380 nan 0.000 0.502 106 H N 1.249 120.394 119.070 0.125 0.000 2.486 106 H HA 0.317 4.872 4.556 -0.000 0.000 0.284 106 H C -0.479 174.927 175.328 0.129 0.000 1.103 106 H CA -0.419 55.704 56.048 0.125 0.000 1.089 106 H CB -0.159 29.670 29.762 0.112 0.000 1.603 106 H HN 0.460 nan 8.280 nan 0.000 0.557 107 E N 0.793 121.013 120.200 0.032 0.000 2.413 107 E HA -0.080 4.270 4.350 -0.000 0.000 0.263 107 E C 0.469 177.140 176.600 0.120 0.000 1.015 107 E CA -0.196 56.247 56.400 0.072 0.000 0.916 107 E CB 1.036 30.772 29.700 0.060 0.000 0.947 107 E HN 0.301 nan 8.360 nan 0.000 0.440 108 Y N 3.982 124.261 120.300 -0.035 0.000 2.040 108 Y HA -0.373 4.177 4.550 -0.000 0.000 0.275 108 Y C 2.041 177.793 175.900 -0.246 0.000 1.171 108 Y CA 2.164 60.186 58.100 -0.130 0.000 1.123 108 Y CB 0.017 38.328 38.460 -0.248 0.000 0.963 108 Y HN 0.675 nan 8.280 nan 0.000 0.493 109 H N -0.513 118.613 119.070 0.093 0.000 2.389 109 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 109 H C 2.238 177.457 175.328 -0.181 0.000 1.081 109 H CA 1.581 57.576 56.048 -0.087 0.000 1.345 109 H CB -0.202 29.580 29.762 0.033 0.000 1.393 109 H HN 0.457 nan 8.280 nan 0.000 0.520 110 Q N 1.015 120.831 119.800 0.027 0.000 2.096 110 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 110 Q C 2.128 178.058 176.000 -0.117 0.000 0.982 110 Q CA 1.027 56.824 55.803 -0.009 0.000 0.850 110 Q CB -0.182 28.610 28.738 0.090 0.000 0.901 110 Q HN 0.648 nan 8.270 nan 0.000 0.422 111 E N 0.085 120.207 120.200 -0.130 0.000 2.072 111 E HA -0.117 4.232 4.350 -0.000 0.000 0.191 111 E C 2.143 178.467 176.600 -0.460 0.000 0.985 111 E CA 0.629 56.925 56.400 -0.173 0.000 0.801 111 E CB -0.113 29.579 29.700 -0.013 0.000 0.750 111 E HN 0.330 nan 8.360 nan 0.000 0.452 112 I N 0.889 121.019 120.570 -0.733 0.000 2.226 112 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 112 I C 2.424 178.275 176.117 -0.444 0.000 1.100 112 I CA 0.788 61.547 61.300 -0.902 0.000 1.374 112 I CB -0.165 37.255 38.000 -0.966 0.000 1.057 112 I HN -0.014 nan 8.210 nan 0.000 0.413 113 S N 0.119 115.561 115.700 -0.431 0.000 2.368 113 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 113 S C 2.233 176.592 174.600 -0.402 0.000 1.030 113 S CA 1.580 59.458 58.200 -0.536 0.000 0.999 113 S CB -0.178 62.379 63.200 -1.072 0.000 0.844 113 S HN 0.378 nan 8.310 nan 0.000 0.459 114 S N 1.048 116.554 115.700 -0.323 0.000 2.359 114 S HA -0.067 4.403 4.470 -0.000 0.000 0.224 114 S C 1.482 175.935 174.600 -0.245 0.000 1.035 114 S CA 1.141 59.109 58.200 -0.386 0.000 1.018 114 S CB -0.434 62.276 63.200 -0.817 0.000 0.876 114 S HN 0.444 nan 8.310 nan 0.000 0.448 115 F N 1.762 121.526 119.950 -0.310 0.000 2.269 115 F HA 0.028 4.555 4.527 0.000 0.000 0.301 115 F C 1.408 177.183 175.800 -0.041 0.000 1.082 115 F CA 0.456 58.447 58.000 -0.015 0.000 1.360 115 F CB -1.258 37.863 39.000 0.201 0.000 1.041 115 F HN 0.153 nan 8.300 nan 0.000 0.512 116 N N 0.483 119.226 118.700 0.072 0.000 2.699 116 N HA -0.205 4.535 4.740 -0.000 0.000 0.256 116 N C 0.912 176.407 175.510 -0.025 0.000 0.993 116 N CA 1.002 54.051 53.050 -0.002 0.000 0.759 116 N CB -1.168 37.322 38.487 0.004 0.000 0.906 116 N HN 0.614 nan 8.380 nan 0.000 0.541 117 G N -1.580 107.235 108.800 0.024 0.000 2.168 117 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.257 117 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.257 117 G C 1.420 176.151 174.900 -0.282 0.000 0.997 117 G CA 1.010 46.109 45.100 -0.002 0.000 0.708 117 G HN 1.833 nan 8.290 nan 0.000 0.520 118 G N -1.570 106.782 108.800 -0.747 0.000 2.253 118 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.209 118 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.209 118 G C 1.197 175.734 174.900 -0.605 0.000 0.997 118 G CA 0.588 44.802 45.100 -1.477 0.000 0.640 118 G HN 1.066 nan 8.290 nan 0.000 0.496 119 L N 0.867 121.918 121.223 -0.287 0.000 2.217 119 L HA 0.147 4.487 4.340 -0.000 0.000 0.211 119 L C 1.819 178.685 176.870 -0.007 0.000 1.107 119 L CA 1.084 55.860 54.840 -0.106 0.000 0.783 119 L CB -0.327 41.707 42.059 -0.043 0.000 0.919 119 L HN 0.322 nan 8.230 nan 0.000 0.442 120 M N 1.118 120.728 119.600 0.017 0.000 2.393 120 M HA -0.212 4.268 4.480 -0.000 0.000 0.201 120 M C 0.220 176.789 176.300 0.449 0.000 0.403 120 M CA 0.769 56.218 55.300 0.248 0.000 0.471 120 M CB -2.232 30.480 32.600 0.188 0.000 1.669 120 M HN 0.661 nan 8.290 nan 0.000 0.864 121 N N -1.039 117.833 118.700 0.287 0.000 2.184 121 N HA 0.093 4.833 4.740 -0.000 0.000 0.234 121 N C 0.290 175.939 175.510 0.232 0.000 1.282 121 N CA -0.328 52.875 53.050 0.255 0.000 0.877 121 N CB 0.574 39.140 38.487 0.132 0.000 1.184 121 N HN 0.194 nan 8.380 nan 0.000 0.510 122 K N 0.384 120.916 120.400 0.220 0.000 2.618 122 K HA 0.278 4.598 4.320 -0.000 0.000 0.207 122 K C 0.084 176.805 176.600 0.202 0.000 1.058 122 K CA -0.452 55.954 56.287 0.197 0.000 1.086 122 K CB -0.298 32.339 32.500 0.229 0.000 0.827 122 K HN 0.031 nan 8.250 nan 0.000 0.481 123 F N 0.324 120.411 119.950 0.229 0.000 2.186 123 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 123 F C 2.216 178.115 175.800 0.166 0.000 1.090 123 F CA 0.902 59.050 58.000 0.246 0.000 1.307 123 F CB -0.510 38.672 39.000 0.303 0.000 1.019 123 F HN -0.196 nan 8.300 nan 0.000 0.489 124 V N -0.176 119.907 119.914 0.281 0.000 2.343 124 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 124 V C 2.089 178.230 176.094 0.079 0.000 1.051 124 V CA 1.986 64.376 62.300 0.150 0.000 1.036 124 V CB -0.588 31.288 31.823 0.089 0.000 0.654 124 V HN 0.220 nan 8.190 nan 0.000 0.451 125 E N -0.800 119.421 120.200 0.035 0.000 2.072 125 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 125 E C 2.095 178.532 176.600 -0.273 0.000 0.985 125 E CA 1.264 57.574 56.400 -0.149 0.000 0.801 125 E CB -0.140 29.422 29.700 -0.230 0.000 0.750 125 E HN 0.673 nan 8.360 nan 0.000 0.452 126 H N -2.401 116.699 119.070 0.050 0.000 2.874 126 H HA 0.314 4.870 4.556 -0.000 0.000 0.264 126 H C 1.597 176.965 175.328 0.066 0.000 1.007 126 H CA 0.756 56.822 56.048 0.030 0.000 1.207 126 H CB 1.055 30.803 29.762 -0.023 0.000 1.487 126 H HN 0.225 nan 8.280 nan 0.000 0.505 127 G N 0.322 109.251 108.800 0.214 0.000 2.719 127 G HA2 0.069 4.029 3.960 -0.000 0.000 0.211 127 G HA3 0.069 4.029 3.960 -0.000 0.000 0.211 127 G C 1.071 176.087 174.900 0.193 0.000 1.140 127 G CA 0.431 45.679 45.100 0.246 0.000 0.790 127 G HN 0.310 nan 8.290 nan 0.000 0.529 139 D N 1.817 122.242 120.400 0.040 0.000 2.525 139 D HA 0.357 4.997 4.640 -0.000 0.000 0.235 139 D C 1.205 177.524 176.300 0.031 0.000 1.137 139 D CA 1.707 55.731 54.000 0.040 0.000 0.868 139 D CB 0.634 41.449 40.800 0.026 0.000 1.180 139 D HN 1.065 nan 8.370 nan 0.000 0.465 140 G N 2.755 111.590 108.800 0.058 0.000 2.258 140 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.233 140 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.233 140 G C 1.004 176.017 174.900 0.188 0.000 1.006 140 G CA 0.421 45.563 45.100 0.071 0.000 0.620 140 G HN 0.559 nan 8.290 nan 0.000 0.511 141 Q N -0.090 119.808 119.800 0.163 0.000 2.364 141 Q HA 0.111 4.451 4.340 -0.000 0.000 0.209 141 Q C 2.605 178.651 176.000 0.078 0.000 0.977 141 Q CA 1.233 57.122 55.803 0.143 0.000 0.885 141 Q CB -0.069 28.717 28.738 0.081 0.000 0.941 141 Q HN 0.606 nan 8.270 nan 0.000 0.464 142 V N 0.513 120.502 119.914 0.125 0.000 2.453 142 V HA -0.254 3.866 4.120 -0.000 0.000 0.252 142 V C 1.676 177.845 176.094 0.125 0.000 1.068 142 V CA 1.466 63.861 62.300 0.158 0.000 1.070 142 V CB -0.117 31.853 31.823 0.245 0.000 0.664 142 V HN 0.424 nan 8.190 nan 0.000 0.461 143 M N 0.151 119.813 119.600 0.102 0.000 2.561 143 M HA 0.265 4.745 4.480 -0.000 0.000 0.238 143 M C 1.177 177.416 176.300 -0.101 0.000 1.131 143 M CA 0.444 55.764 55.300 0.033 0.000 1.046 143 M CB -1.309 31.320 32.600 0.049 0.000 1.532 143 M HN 0.385 nan 8.290 nan 0.000 0.497 144 G N 0.945 109.546 108.800 -0.332 0.000 2.441 144 G HA2 0.276 4.236 3.960 -0.000 0.000 0.243 144 G HA3 0.276 4.236 3.960 -0.000 0.000 0.243 144 G C -0.956 173.635 174.900 -0.514 0.000 1.281 144 G CA -0.197 44.360 45.100 -0.906 0.000 0.854 144 G HN 0.438 nan 8.290 nan 0.000 0.560 145 Y N 0.042 120.009 120.300 -0.556 0.000 2.570 145 Y HA 0.758 5.308 4.550 -0.000 0.000 0.345 145 Y C -1.378 174.262 175.900 -0.433 0.000 1.014 145 Y CA -2.332 55.566 58.100 -0.337 0.000 1.063 145 Y CB 1.195 39.582 38.460 -0.122 0.000 1.272 145 Y HN 0.459 nan 8.280 nan 0.000 0.477 146 Y N 1.329 121.685 120.300 0.094 0.000 2.457 146 Y HA 0.459 5.009 4.550 -0.000 0.000 0.333 146 Y C -0.169 175.675 175.900 -0.095 0.000 1.119 146 Y CA -0.800 57.252 58.100 -0.080 0.000 1.143 146 Y CB 1.491 39.843 38.460 -0.180 0.000 1.230 146 Y HN 0.822 nan 8.280 nan 0.000 0.469 147 D N -1.130 119.161 120.400 -0.181 0.000 2.689 147 D HA 0.303 4.943 4.640 -0.000 0.000 0.255 147 D C 1.166 176.563 176.300 -1.506 0.000 1.113 147 D CA -0.667 52.849 54.000 -0.808 0.000 1.115 147 D CB 0.339 40.939 40.800 -0.334 0.000 1.334 147 D HN 0.590 nan 8.370 nan 0.000 0.621 148 G N -1.209 106.254 108.800 -2.229 0.000 2.625 148 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.214 148 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.214 148 G C 0.791 175.338 174.900 -0.588 0.000 1.132 148 G CA 0.364 44.536 45.100 -1.547 0.000 0.782 148 G HN 0.582 nan 8.290 nan 0.000 0.538 149 N N -0.611 117.837 118.700 -0.420 0.000 2.457 149 N HA 0.012 4.752 4.740 -0.000 0.000 0.180 149 N C 1.863 177.242 175.510 -0.219 0.000 1.050 149 N CA 1.230 54.161 53.050 -0.198 0.000 0.906 149 N CB 0.235 38.658 38.487 -0.106 0.000 0.968 149 N HN 0.209 nan 8.380 nan 0.000 0.445 150 T N -0.547 113.799 114.554 -0.347 0.000 3.151 150 T HA 0.036 4.386 4.350 -0.000 0.000 0.239 150 T C 1.147 175.557 174.700 -0.482 0.000 0.979 150 T CA 0.145 62.037 62.100 -0.346 0.000 1.194 150 T CB 0.004 68.681 68.868 -0.319 0.000 0.982 150 T HN 0.048 nan 8.240 nan 0.000 0.428 151 V N 2.563 122.056 119.914 -0.701 0.000 2.346 151 V HA 0.296 4.416 4.120 -0.000 0.000 0.320 151 V C 1.253 176.990 176.094 -0.595 0.000 1.663 151 V CA -0.142 61.719 62.300 -0.732 0.000 1.667 151 V CB -1.554 29.647 31.823 -1.037 0.000 1.465 151 V HN 0.292 nan 8.190 nan 0.000 0.524 152 T N 1.752 116.075 114.554 -0.385 0.000 2.708 152 T HA -0.096 4.253 4.350 -0.000 0.000 0.266 152 T C 2.170 176.818 174.700 -0.086 0.000 1.037 152 T CA 2.031 64.006 62.100 -0.209 0.000 1.146 152 T CB -0.124 68.678 68.868 -0.110 0.000 0.865 152 T HN 0.814 nan 8.240 nan 0.000 0.435 153 A N 1.353 124.090 122.820 -0.139 0.000 1.877 153 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 153 A C 2.346 179.806 177.584 -0.206 0.000 1.186 153 A CA 1.273 53.160 52.037 -0.249 0.000 0.620 153 A CB -1.005 17.884 19.000 -0.185 0.000 0.822 153 A HN 0.453 nan 8.150 nan 0.000 0.443 154 L N -2.361 118.902 121.223 0.065 0.000 2.042 154 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 154 L C 2.649 179.815 176.870 0.494 0.000 1.076 154 L CA 1.460 56.515 54.840 0.359 0.000 0.749 154 L CB -0.483 41.699 42.059 0.205 0.000 0.893 154 L HN 0.591 nan 8.230 nan 0.000 0.432 155 W N 0.223 121.505 121.300 -0.030 0.000 2.388 155 W HA -0.112 4.548 4.660 -0.000 0.000 0.294 155 W C 2.580 179.309 176.519 0.351 0.000 1.212 155 W CA 0.573 57.978 57.345 0.100 0.000 1.271 155 W CB -0.829 28.410 29.460 -0.369 0.000 1.126 155 W HN 0.187 nan 8.180 nan 0.000 0.535 156 N N -1.012 117.950 118.700 0.436 0.000 2.188 156 N HA -0.176 4.564 4.740 -0.000 0.000 0.184 156 N C 1.499 177.175 175.510 0.277 0.000 1.018 156 N CA 1.256 54.495 53.050 0.315 0.000 0.858 156 N CB -0.882 37.671 38.487 0.110 0.000 0.989 156 N HN 0.133 nan 8.380 nan 0.000 0.426 157 Y N 1.405 121.936 120.300 0.384 0.000 2.145 157 Y HA -0.060 4.490 4.550 -0.000 0.000 0.286 157 Y C 2.469 178.618 175.900 0.416 0.000 1.145 157 Y CA 0.689 59.058 58.100 0.448 0.000 1.148 157 Y CB -1.011 37.639 38.460 0.317 0.000 0.981 157 Y HN 0.019 nan 8.280 nan 0.000 0.507 158 A N -0.169 122.924 122.820 0.455 0.000 1.933 158 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 158 A C 2.131 179.890 177.584 0.290 0.000 1.175 158 A CA 1.519 53.691 52.037 0.224 0.000 0.628 158 A CB -0.559 18.372 19.000 -0.114 0.000 0.814 158 A HN 0.397 nan 8.150 nan 0.000 0.444 159 Q N -0.335 119.699 119.800 0.390 0.000 2.291 159 Q HA -0.080 4.260 4.340 -0.000 0.000 0.206 159 Q C 0.798 176.869 176.000 0.118 0.000 0.976 159 Q CA 1.099 57.079 55.803 0.295 0.000 0.875 159 Q CB -0.164 28.760 28.738 0.309 0.000 0.927 159 Q HN 0.734 nan 8.270 nan 0.000 0.450 160 N N -1.633 117.105 118.700 0.063 0.000 2.193 160 N HA 0.158 4.898 4.740 -0.000 0.000 0.210 160 N C -0.054 175.062 175.510 -0.655 0.000 1.215 160 N CA 0.185 53.054 53.050 -0.302 0.000 0.901 160 N CB 0.813 39.052 38.487 -0.414 0.000 1.060 160 N HN 0.027 nan 8.380 nan 0.000 0.508 161 F N 0.438 120.482 119.950 0.156 0.000 3.342 161 F HA 0.662 5.189 4.527 -0.000 0.000 0.323 161 F C -0.296 175.538 175.800 0.057 0.000 1.398 161 F CA -1.134 56.929 58.000 0.105 0.000 1.025 161 F CB 0.260 39.332 39.000 0.120 0.000 1.638 161 F HN -0.314 nan 8.300 nan 0.000 0.473 162 A N 0.777 123.732 122.820 0.224 0.000 2.350 162 A HA 0.775 5.095 4.320 -0.000 0.000 0.324 162 A C -1.929 175.635 177.584 -0.033 0.000 1.118 162 A CA -0.483 51.597 52.037 0.071 0.000 0.783 162 A CB 1.431 20.419 19.000 -0.021 0.000 1.236 162 A HN 0.587 nan 8.150 nan 0.000 0.457 163 L N 2.071 123.225 121.223 -0.116 0.000 2.386 163 L HA 0.546 4.886 4.340 -0.000 0.000 0.271 163 L C -0.740 175.988 176.870 -0.236 0.000 0.993 163 L CA -0.406 54.287 54.840 -0.245 0.000 0.819 163 L CB 1.922 43.722 42.059 -0.432 0.000 1.294 163 L HN 0.747 nan 8.230 nan 0.000 0.414 164 N N 2.578 121.151 118.700 -0.213 0.000 2.392 164 N HA 0.259 4.998 4.740 -0.000 0.000 0.283 164 N C -0.979 174.375 175.510 -0.261 0.000 1.003 164 N CA -0.244 52.675 53.050 -0.219 0.000 0.892 164 N CB 1.675 40.056 38.487 -0.177 0.000 1.193 164 N HN 0.773 nan 8.380 nan 0.000 0.487 165 D N 1.719 121.902 120.400 -0.362 0.000 2.463 165 D HA 0.090 4.730 4.640 -0.000 0.000 0.224 165 D C -0.237 175.638 176.300 -0.708 0.000 1.174 165 D CA -0.147 53.387 54.000 -0.776 0.000 0.829 165 D CB -0.283 40.130 40.800 -0.646 0.000 0.993 165 D HN 0.315 nan 8.370 nan 0.000 0.497 166 N N -0.312 118.094 118.700 -0.489 0.000 2.547 166 N HA 0.095 4.835 4.740 -0.000 0.000 0.285 166 N C -1.438 173.788 175.510 -0.472 0.000 1.600 166 N CA -0.118 52.687 53.050 -0.408 0.000 0.872 166 N CB 0.766 39.199 38.487 -0.091 0.000 1.412 166 N HN -0.131 nan 8.380 nan 0.000 0.489 167 T N 0.616 114.762 114.554 -0.680 0.000 2.794 167 T HA 0.538 4.888 4.350 -0.000 0.000 0.280 167 T C -0.695 173.551 174.700 -0.757 0.000 0.987 167 T CA -0.064 61.745 62.100 -0.485 0.000 0.993 167 T CB 0.709 69.440 68.868 -0.229 0.000 0.939 167 T HN -0.008 nan 8.240 nan 0.000 0.449 168 F N 0.507 120.345 119.950 -0.188 0.000 2.577 168 F HA 0.614 5.141 4.527 -0.000 0.000 0.318 168 F C 1.076 176.796 175.800 -0.133 0.000 1.065 168 F CA -1.192 56.708 58.000 -0.167 0.000 0.929 168 F CB 1.270 40.136 39.000 -0.223 0.000 1.237 168 F HN 0.669 nan 8.300 nan 0.000 0.468 169 G N 0.624 109.500 108.800 0.126 0.000 2.353 169 G HA2 0.251 4.211 3.960 -0.000 0.000 0.239 169 G HA3 0.251 4.211 3.960 -0.000 0.000 0.239 169 G C 0.666 175.648 174.900 0.136 0.000 1.295 169 G CA -0.248 44.916 45.100 0.107 0.000 0.884 169 G HN 0.755 nan 8.290 nan 0.000 0.537 170 T N 0.970 115.626 114.554 0.170 0.000 2.788 170 T HA -0.055 4.295 4.350 -0.000 0.000 0.268 170 T C 1.649 176.513 174.700 0.274 0.000 1.044 170 T CA 1.752 64.029 62.100 0.294 0.000 1.139 170 T CB -0.248 68.753 68.868 0.221 0.000 0.867 170 T HN 0.862 nan 8.240 nan 0.000 0.454 171 T N -1.006 113.640 114.554 0.153 0.000 2.910 171 T HA 0.658 5.008 4.350 -0.000 0.000 0.287 171 T C -0.213 174.491 174.700 0.006 0.000 1.050 171 T CA -1.076 61.095 62.100 0.119 0.000 1.011 171 T CB 0.868 69.862 68.868 0.209 0.000 1.195 171 T HN -0.009 nan 8.240 nan 0.000 0.540 172 F N 1.068 121.012 119.950 -0.008 0.000 2.532 172 F HA 0.500 5.027 4.527 -0.000 0.000 0.323 172 F C 1.764 177.616 175.800 0.087 0.000 1.234 172 F CA 1.701 59.632 58.000 -0.115 0.000 1.323 172 F CB -0.131 38.575 39.000 -0.491 0.000 1.183 172 F HN 1.285 nan 8.300 nan 0.000 0.589 173 G N 0.617 109.587 108.800 0.284 0.000 2.434 173 G HA2 0.042 4.002 3.960 -0.000 0.000 0.671 173 G HA3 0.042 4.002 3.960 -0.000 0.000 0.671 173 G C -3.078 171.976 174.900 0.258 0.000 1.280 173 G CA -0.890 44.387 45.100 0.295 0.000 0.975 173 G HN 0.519 nan 8.290 nan 0.000 0.510 174 P HA 0.388 nan 4.420 nan 0.000 0.333 174 P C 1.012 178.483 177.300 0.286 0.000 1.315 174 P CA 0.643 63.957 63.100 0.357 0.000 0.746 174 P CB 0.591 32.493 31.700 0.336 0.000 1.575 175 S N -1.253 114.663 115.700 0.360 0.000 2.414 175 S HA -0.059 4.411 4.470 -0.000 0.000 0.227 175 S C 1.896 176.666 174.600 0.283 0.000 1.022 175 S CA 1.578 59.952 58.200 0.290 0.000 0.958 175 S CB -1.080 62.335 63.200 0.358 0.000 0.797 175 S HN 0.514 nan 8.310 nan 0.000 0.493 176 T N 2.622 117.362 114.554 0.311 0.000 2.737 176 T HA -0.022 4.328 4.350 -0.000 0.000 0.265 176 T C -0.767 173.943 174.700 0.018 0.000 1.038 176 T CA 1.105 63.296 62.100 0.151 0.000 1.144 176 T CB -1.329 67.605 68.868 0.110 0.000 0.866 176 T HN 0.317 nan 8.240 nan 0.000 0.434 177 P HA -0.064 nan 4.420 nan 0.000 0.216 177 P C 1.745 179.105 177.300 0.100 0.000 1.150 177 P CA 1.190 64.318 63.100 0.046 0.000 0.837 177 P CB -0.502 31.253 31.700 0.091 0.000 0.786 178 G N 0.146 109.046 108.800 0.167 0.000 2.446 178 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.217 178 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.217 178 G C 1.672 176.788 174.900 0.359 0.000 1.168 178 G CA 1.119 46.375 45.100 0.260 0.000 0.771 178 G HN 0.341 nan 8.290 nan 0.000 0.551 179 A N 0.424 123.440 122.820 0.327 0.000 1.898 179 A HA 0.145 4.465 4.320 -0.000 0.000 0.216 179 A C 2.468 180.033 177.584 -0.032 0.000 1.181 179 A CA 1.275 53.465 52.037 0.255 0.000 0.620 179 A CB -0.399 18.736 19.000 0.225 0.000 0.819 179 A HN 0.350 nan 8.150 nan 0.000 0.442 180 L N -0.205 120.988 121.223 -0.050 0.000 2.046 180 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 180 L C 2.287 179.171 176.870 0.023 0.000 1.077 180 L CA 1.238 56.058 54.840 -0.034 0.000 0.747 180 L CB -0.682 41.313 42.059 -0.107 0.000 0.896 180 L HN 0.353 nan 8.230 nan 0.000 0.432 181 N N 0.174 118.901 118.700 0.044 0.000 2.166 181 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 181 N C 1.809 177.348 175.510 0.049 0.000 1.019 181 N CA 1.098 54.189 53.050 0.068 0.000 0.856 181 N CB -0.320 38.230 38.487 0.105 0.000 0.993 181 N HN 0.179 nan 8.380 nan 0.000 0.426 182 L N 0.962 122.189 121.223 0.007 0.000 2.046 182 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 182 L C 2.018 178.854 176.870 -0.057 0.000 1.077 182 L CA 1.316 56.118 54.840 -0.063 0.000 0.747 182 L CB -0.364 41.486 42.059 -0.349 0.000 0.896 182 L HN 0.129 nan 8.230 nan 0.000 0.432 183 V N -4.102 115.711 119.914 -0.168 0.000 3.471 183 V HA 0.412 4.532 4.120 -0.000 0.000 0.258 183 V C 1.704 177.711 176.094 -0.144 0.000 1.192 183 V CA 0.864 63.024 62.300 -0.232 0.000 1.116 183 V CB -0.272 31.116 31.823 -0.725 0.000 0.792 183 V HN 0.346 nan 8.190 nan 0.000 0.459 184 A N -0.413 122.378 122.820 -0.048 0.000 2.340 184 A HA 0.587 4.907 4.320 -0.000 0.000 0.213 184 A C 1.927 179.564 177.584 0.088 0.000 1.299 184 A CA 0.803 52.866 52.037 0.044 0.000 0.994 184 A CB 0.214 19.330 19.000 0.192 0.000 1.132 184 A HN 1.633 nan 8.150 nan 0.000 0.519 185 G N -1.061 107.784 108.800 0.076 0.000 2.179 185 G HA2 0.189 4.149 3.960 -0.000 0.000 0.257 185 G HA3 0.189 4.149 3.960 -0.000 0.000 0.257 185 G C 0.279 175.207 174.900 0.046 0.000 1.010 185 G CA 0.759 45.912 45.100 0.088 0.000 0.736 185 G HN 1.950 nan 8.290 nan 0.000 0.513 186 A N -0.566 122.285 122.820 0.052 0.000 2.574 186 A HA 0.721 5.041 4.320 -0.000 0.000 0.297 186 A C 0.239 177.848 177.584 0.040 0.000 1.062 186 A CA 0.174 52.213 52.037 0.003 0.000 0.686 186 A CB 0.896 19.935 19.000 0.065 0.000 1.285 186 A HN 0.820 nan 8.150 nan 0.000 0.403 187 N N 0.890 119.607 118.700 0.028 0.000 2.273 187 N HA 0.433 5.173 4.740 -0.000 0.000 0.231 187 N C 0.290 175.817 175.510 0.029 0.000 1.134 187 N CA 0.568 53.627 53.050 0.014 0.000 0.856 187 N CB 1.077 39.571 38.487 0.012 0.000 1.068 187 N HN 1.311 nan 8.380 nan 0.000 0.510 188 G N -0.025 108.799 108.800 0.040 0.000 2.341 188 G HA2 0.333 4.293 3.960 -0.000 0.000 0.299 188 G HA3 0.333 4.293 3.960 -0.000 0.000 0.299 188 G C -3.391 171.258 174.900 -0.417 0.000 1.274 188 G CA -0.813 44.129 45.100 -0.264 0.000 0.853 188 G HN -0.016 nan 8.290 nan 0.000 0.493 189 P HA 0.513 nan 4.420 nan 0.000 0.272 189 P C -0.412 176.571 177.300 -0.529 0.000 1.223 189 P CA 0.290 62.905 63.100 -0.809 0.000 0.784 189 P CB 1.425 32.719 31.700 -0.675 0.000 0.923 190 A N 0.558 123.107 122.820 -0.452 0.000 2.549 190 A HA 0.835 5.155 4.320 -0.000 0.000 0.297 190 A C -0.847 176.599 177.584 -0.231 0.000 1.061 190 A CA -0.422 51.426 52.037 -0.315 0.000 0.690 190 A CB 1.300 20.131 19.000 -0.282 0.000 1.287 190 A HN 0.562 nan 8.150 nan 0.000 0.402 191 M N 0.007 119.504 119.600 -0.173 0.000 2.644 191 M HA 0.918 5.398 4.480 -0.000 0.000 0.304 191 M C -0.141 176.110 176.300 -0.081 0.000 1.215 191 M CA -0.287 54.938 55.300 -0.125 0.000 0.871 191 M CB 1.309 33.837 32.600 -0.121 0.000 1.740 191 M HN 1.935 nan 8.290 nan 0.000 0.464 192 S N 0.431 116.100 115.700 -0.051 0.000 2.536 192 S HA 0.807 5.276 4.470 -0.000 0.000 0.287 192 S C -2.236 172.367 174.600 0.005 0.000 1.101 192 S CA -1.231 56.965 58.200 -0.006 0.000 0.950 192 S CB 1.770 64.967 63.200 -0.005 0.000 1.056 192 S HN 0.644 nan 8.310 nan 0.000 0.481 193 P HA 0.025 nan 4.420 nan 0.000 0.220 193 P C 0.901 178.215 177.300 0.023 0.000 1.148 193 P CA 0.799 63.927 63.100 0.048 0.000 0.803 193 P CB 0.130 31.895 31.700 0.108 0.000 0.782 194 S N -1.317 114.395 115.700 0.018 0.000 2.607 194 S HA 0.317 4.787 4.470 -0.000 0.000 0.224 194 S C 1.184 175.780 174.600 -0.007 0.000 0.969 194 S CA 0.678 58.880 58.200 0.003 0.000 0.927 194 S CB -0.755 62.444 63.200 -0.001 0.000 0.772 194 S HN 0.461 nan 8.310 nan 0.000 0.533 195 G N 2.013 110.806 108.800 -0.012 0.000 2.615 195 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 195 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 195 G C 0.216 175.100 174.900 -0.027 0.000 1.339 195 G CA -0.077 45.011 45.100 -0.021 0.000 0.884 195 G HN 0.261 nan 8.290 nan 0.000 0.559 196 N N -0.104 118.577 118.700 -0.031 0.000 2.171 196 N HA 0.119 4.859 4.740 -0.000 0.000 0.184 196 N C 1.945 177.439 175.510 -0.028 0.000 1.021 196 N CA 1.273 54.301 53.050 -0.036 0.000 0.854 196 N CB -0.544 37.922 38.487 -0.036 0.000 0.994 196 N HN 0.838 nan 8.380 nan 0.000 0.426 197 L N -0.400 120.811 121.223 -0.020 0.000 6.593 197 L HA -0.318 4.022 4.340 -0.000 0.000 0.053 197 L C 0.393 177.257 176.870 -0.010 0.000 1.816 197 L CA 1.362 56.193 54.840 -0.015 0.000 1.701 197 L CB -0.716 41.334 42.059 -0.016 0.000 2.696 197 L HN 0.201 nan 8.230 nan 0.000 1.037 198 E N 0.304 120.500 120.200 -0.007 0.000 2.499 198 E HA 0.136 4.486 4.350 -0.000 0.000 0.199 198 E C 0.746 177.340 176.600 -0.010 0.000 1.016 198 E CA 0.024 56.427 56.400 0.006 0.000 0.933 198 E CB 0.093 29.806 29.700 0.022 0.000 1.050 198 E HN 0.384 nan 8.360 nan 0.000 0.462 199 N N 0.180 118.863 118.700 -0.028 0.000 2.402 199 N HA 0.121 4.861 4.740 -0.000 0.000 0.174 199 N C 0.432 175.899 175.510 -0.073 0.000 1.027 199 N CA 0.508 53.531 53.050 -0.044 0.000 0.891 199 N CB 1.322 39.788 38.487 -0.035 0.000 1.016 199 N HN 0.174 nan 8.380 nan 0.000 0.439 200 I N 0.287 120.814 120.570 -0.071 0.000 2.582 200 I HA 0.265 4.435 4.170 -0.000 0.000 0.292 200 I C -0.660 175.411 176.117 -0.076 0.000 1.066 200 I CA -0.589 60.656 61.300 -0.091 0.000 1.053 200 I CB 2.913 40.856 38.000 -0.094 0.000 1.241 200 I HN -0.181 nan 8.210 nan 0.000 0.421 201 E N 4.714 124.865 120.200 -0.082 0.000 2.260 201 E HA 0.275 4.625 4.350 -0.000 0.000 0.266 201 E C -0.394 176.213 176.600 0.012 0.000 0.887 201 E CA -0.524 55.855 56.400 -0.035 0.000 0.777 201 E CB 1.096 30.766 29.700 -0.051 0.000 1.205 201 E HN 0.589 nan 8.360 nan 0.000 0.414 202 N N 4.676 123.386 118.700 0.017 0.000 2.727 202 N HA -0.269 4.471 4.740 -0.000 0.000 0.249 202 N C -0.697 174.789 175.510 -0.040 0.000 1.048 202 N CA 1.534 54.611 53.050 0.046 0.000 0.714 202 N CB -1.134 37.435 38.487 0.137 0.000 0.959 202 N HN 0.833 nan 8.380 nan 0.000 0.544 203 N N -3.952 114.640 118.700 -0.179 0.000 2.965 203 N HA -0.258 4.482 4.740 -0.000 0.000 0.232 203 N C -1.058 174.061 175.510 -0.651 0.000 0.913 203 N CA 1.692 54.492 53.050 -0.417 0.000 0.981 203 N CB -1.313 36.861 38.487 -0.522 0.000 1.077 203 N HN 0.567 nan 8.380 nan 0.000 0.589 204 Y N 1.010 121.226 120.300 -0.140 0.000 2.360 204 Y HA 0.569 5.119 4.550 -0.000 0.000 0.337 204 Y C 1.155 176.941 175.900 -0.190 0.000 1.039 204 Y CA -0.678 57.319 58.100 -0.170 0.000 1.109 204 Y CB 0.973 39.345 38.460 -0.147 0.000 1.201 204 Y HN -0.090 nan 8.280 nan 0.000 0.458 205 I N 5.146 125.675 120.570 -0.069 0.000 2.436 205 I HA 0.047 4.217 4.170 -0.000 0.000 0.289 205 I C 1.058 177.097 176.117 -0.130 0.000 1.083 205 I CA 0.438 61.670 61.300 -0.114 0.000 1.372 205 I CB 0.492 38.406 38.000 -0.143 0.000 1.408 205 I HN 0.708 nan 8.210 nan 0.000 0.516 206 I N 1.131 121.584 120.570 -0.196 0.000 4.139 206 I HA 0.392 4.562 4.170 -0.000 0.000 0.335 206 I C 0.327 176.376 176.117 -0.114 0.000 1.327 206 I CA 0.131 61.246 61.300 -0.307 0.000 1.112 206 I CB 0.310 37.835 38.000 -0.793 0.000 1.058 206 I HN 0.475 nan 8.210 nan 0.000 0.396 207 D N 0.319 120.682 120.400 -0.061 0.000 2.855 207 D HA 0.283 4.923 4.640 -0.000 0.000 0.231 207 D C -0.857 175.448 176.300 0.008 0.000 1.225 207 D CA -0.416 53.581 54.000 -0.005 0.000 1.074 207 D CB 1.251 42.042 40.800 -0.015 0.000 1.235 207 D HN -0.001 nan 8.370 nan 0.000 0.635 208 D N 0.990 121.375 120.400 -0.025 0.000 3.018 208 D HA 0.277 4.917 4.640 -0.000 0.000 0.331 208 D C -2.240 174.014 176.300 -0.077 0.000 1.334 208 D CA -1.065 52.897 54.000 -0.065 0.000 0.900 208 D CB 0.844 41.459 40.800 -0.309 0.000 1.059 208 D HN 0.147 nan 8.370 nan 0.000 0.498 209 P HA 0.061 nan 4.420 nan 0.000 0.271 209 P C 0.314 177.684 177.300 0.117 0.000 1.218 209 P CA -0.394 62.723 63.100 0.029 0.000 0.780 209 P CB 1.179 32.912 31.700 0.056 0.000 0.901 210 N N 2.261 120.958 118.700 -0.006 0.000 2.415 210 N HA 0.163 4.903 4.740 -0.000 0.000 0.248 210 N C -2.122 173.245 175.510 -0.238 0.000 1.271 210 N CA -1.476 51.536 53.050 -0.063 0.000 0.913 210 N CB -0.616 37.752 38.487 -0.199 0.000 1.129 210 N HN 0.354 nan 8.380 nan 0.000 0.444 211 P HA -0.013 nan 4.420 nan 0.000 0.271 211 P C 0.384 177.447 177.300 -0.394 0.000 1.216 211 P CA 0.031 62.536 63.100 -0.993 0.000 0.771 211 P CB 0.507 31.629 31.700 -0.963 0.000 0.864 212 Y N 3.725 123.798 120.300 -0.378 0.000 2.128 212 Y HA -0.186 4.364 4.550 -0.000 0.000 0.284 212 Y C 0.878 176.646 175.900 -0.220 0.000 1.154 212 Y CA 1.668 59.584 58.100 -0.307 0.000 1.149 212 Y CB -0.475 37.669 38.460 -0.528 0.000 0.976 212 Y HN 0.255 nan 8.280 nan 0.000 0.505 213 Y N 1.192 121.580 120.300 0.148 0.000 2.736 213 Y HA 0.281 4.831 4.550 -0.000 0.000 0.339 213 Y C -0.589 175.185 175.900 -0.211 0.000 1.301 213 Y CA -0.398 57.626 58.100 -0.127 0.000 1.676 213 Y CB -0.008 38.390 38.460 -0.103 0.000 1.725 213 Y HN -0.025 nan 8.280 nan 0.000 0.466 214 D N 0.698 121.097 120.400 -0.001 0.000 2.419 214 D HA 0.049 4.689 4.640 -0.000 0.000 0.219 214 D C 0.049 176.524 176.300 0.292 0.000 1.349 214 D CA -0.181 53.892 54.000 0.122 0.000 0.964 214 D CB 1.010 41.889 40.800 0.131 0.000 1.463 214 D HN 0.262 nan 8.370 nan 0.000 0.573 215 D N 1.557 122.108 120.400 0.252 0.000 2.133 215 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 215 D C 1.709 178.153 176.300 0.240 0.000 0.997 215 D CA 1.121 55.293 54.000 0.286 0.000 0.840 215 D CB 0.126 40.999 40.800 0.123 0.000 0.947 215 D HN 0.439 nan 8.370 nan 0.000 0.452 216 c N 0.486 119.117 118.600 0.052 0.000 2.539 216 c HA 0.092 4.662 4.570 -0.000 0.000 0.271 216 c C 2.587 176.700 174.090 0.038 0.000 1.412 216 c CA -0.064 56.262 56.329 -0.005 0.000 1.729 216 c CB -1.102 41.324 42.510 -0.141 0.000 1.739 216 c HN 0.219 nan 8.230 nan 0.000 0.570 217 S N -0.643 115.027 115.700 -0.051 0.000 2.461 217 S HA 0.042 4.512 4.470 -0.000 0.000 0.228 217 S C 0.309 174.653 174.600 -0.427 0.000 1.005 217 S CA 0.778 58.773 58.200 -0.341 0.000 0.942 217 S CB -0.104 62.685 63.200 -0.685 0.000 0.776 217 S HN 0.697 nan 8.310 nan 0.000 0.514 218 Y N -0.138 120.132 120.300 -0.050 0.000 2.458 218 Y HA 0.522 5.072 4.550 -0.000 0.000 0.322 218 Y C 1.760 177.627 175.900 -0.055 0.000 1.259 218 Y CA -0.727 57.335 58.100 -0.064 0.000 1.302 218 Y CB 0.169 38.584 38.460 -0.076 0.000 1.314 218 Y HN -0.009 nan 8.280 nan 0.000 0.509 219 G N -0.794 108.073 108.800 0.111 0.000 2.535 219 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 219 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 219 G C 1.298 176.211 174.900 0.022 0.000 1.122 219 G CA 1.224 46.347 45.100 0.038 0.000 0.769 219 G HN 0.760 nan 8.290 nan 0.000 0.549 220 T N -2.000 112.575 114.554 0.035 0.000 2.995 220 T HA 0.127 4.477 4.350 -0.000 0.000 0.269 220 T C 1.294 175.984 174.700 -0.017 0.000 1.091 220 T CA 0.612 62.713 62.100 0.003 0.000 1.128 220 T CB 0.097 68.964 68.868 -0.003 0.000 0.891 220 T HN 0.056 nan 8.240 nan 0.000 0.492 221 S N 0.974 116.666 115.700 -0.012 0.000 2.541 221 S HA 0.386 4.856 4.470 -0.000 0.000 0.283 221 S C 0.929 175.513 174.600 -0.027 0.000 1.196 221 S CA -0.938 57.240 58.200 -0.037 0.000 1.062 221 S CB 1.583 64.756 63.200 -0.046 0.000 1.009 221 S HN 0.104 nan 8.310 nan 0.000 0.502 222 K N 1.667 122.048 120.400 -0.032 0.000 2.280 222 K HA -0.075 4.245 4.320 -0.000 0.000 0.202 222 K C 2.101 178.683 176.600 -0.030 0.000 1.047 222 K CA 1.185 57.455 56.287 -0.028 0.000 0.942 222 K CB -0.454 32.029 32.500 -0.027 0.000 0.739 222 K HN 0.730 nan 8.250 nan 0.000 0.457 223 S N -0.523 115.164 115.700 -0.021 0.000 2.527 223 S HA 0.049 4.519 4.470 -0.000 0.000 0.222 223 S C 1.155 175.735 174.600 -0.034 0.000 0.985 223 S CA 0.094 58.284 58.200 -0.017 0.000 0.921 223 S CB 0.029 63.268 63.200 0.064 0.000 0.772 223 S HN 0.186 nan 8.310 nan 0.000 0.529 224 G N 0.245 109.026 108.800 -0.032 0.000 2.543 224 G HA2 0.507 4.467 3.960 -0.000 0.000 0.290 224 G HA3 0.507 4.467 3.960 -0.000 0.000 0.290 224 G C -1.376 173.487 174.900 -0.061 0.000 1.310 224 G CA -0.354 44.713 45.100 -0.056 0.000 1.025 224 G HN 0.298 nan 8.290 nan 0.000 0.502 225 D N -2.528 117.824 120.400 -0.081 0.000 2.591 225 D HA 0.261 4.901 4.640 -0.000 0.000 0.222 225 D C 1.175 177.437 176.300 -0.063 0.000 1.360 225 D CA -0.446 53.515 54.000 -0.064 0.000 0.967 225 D CB 0.934 41.692 40.800 -0.070 0.000 1.456 225 D HN 0.147 nan 8.370 nan 0.000 0.588 226 T N 1.975 116.512 114.554 -0.029 0.000 2.721 226 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 226 T C 1.142 175.828 174.700 -0.024 0.000 1.038 226 T CA 1.165 63.258 62.100 -0.012 0.000 1.145 226 T CB -0.064 68.802 68.868 -0.004 0.000 0.858 226 T HN 0.452 nan 8.240 nan 0.000 0.459 227 N N 0.714 119.394 118.700 -0.033 0.000 2.230 227 N HA 0.068 4.808 4.740 -0.000 0.000 0.202 227 N C -0.245 175.238 175.510 -0.046 0.000 1.119 227 N CA 0.162 53.192 53.050 -0.032 0.000 0.851 227 N CB 0.670 39.142 38.487 -0.024 0.000 0.990 227 N HN 0.290 nan 8.380 nan 0.000 0.497 228 T N 1.071 115.585 114.554 -0.067 0.000 2.799 228 T HA 0.483 4.832 4.350 -0.000 0.000 0.286 228 T C 0.459 175.105 174.700 -0.090 0.000 0.973 228 T CA -0.556 61.493 62.100 -0.084 0.000 1.035 228 T CB 1.902 70.704 68.868 -0.110 0.000 0.932 228 T HN 0.132 nan 8.240 nan 0.000 0.469 229 A N 2.902 125.681 122.820 -0.067 0.000 2.406 229 A HA 0.609 4.929 4.320 -0.000 0.000 0.243 229 A C 0.455 177.996 177.584 -0.073 0.000 1.082 229 A CA -0.554 51.451 52.037 -0.053 0.000 0.786 229 A CB 0.074 19.057 19.000 -0.028 0.000 1.029 229 A HN 0.893 nan 8.150 nan 0.000 0.495 230 V N -2.064 117.816 119.914 -0.056 0.000 2.815 230 V HA 0.949 5.069 4.120 -0.000 0.000 0.314 230 V C 0.014 176.144 176.094 0.059 0.000 1.064 230 V CA -0.227 62.040 62.300 -0.056 0.000 0.952 230 V CB 1.118 32.835 31.823 -0.177 0.000 1.020 230 V HN 1.826 nan 8.190 nan 0.000 0.439 231 A N 2.107 124.977 122.820 0.083 0.000 2.515 231 A HA 1.071 5.391 4.320 -0.000 0.000 0.296 231 A C -0.285 177.368 177.584 0.115 0.000 1.094 231 A CA -0.273 51.826 52.037 0.103 0.000 0.718 231 A CB 1.923 20.985 19.000 0.104 0.000 1.307 231 A HN 1.873 nan 8.150 nan 0.000 0.408 232 K N 1.292 121.699 120.400 0.013 0.000 2.426 232 K HA 0.716 5.036 4.320 -0.000 0.000 0.251 232 K C -0.751 175.744 176.600 -0.175 0.000 0.941 232 K CA -0.700 55.574 56.287 -0.021 0.000 0.808 232 K CB 1.093 33.559 32.500 -0.056 0.000 1.265 232 K HN 0.677 nan 8.250 nan 0.000 0.432 233 I N 3.099 123.445 120.570 -0.372 0.000 2.529 233 I HA 0.158 4.327 4.170 -0.000 0.000 0.284 233 I C 1.620 177.512 176.117 -0.375 0.000 1.082 233 I CA 0.371 61.313 61.300 -0.596 0.000 1.406 233 I CB 1.156 38.336 38.000 -1.366 0.000 1.405 233 I HN 0.968 nan 8.210 nan 0.000 0.548 234 T N 0.154 114.526 114.554 -0.302 0.000 3.001 234 T HA 0.193 4.543 4.350 -0.000 0.000 0.251 234 T C 0.253 174.867 174.700 -0.142 0.000 1.040 234 T CA -0.088 61.897 62.100 -0.191 0.000 0.985 234 T CB 0.351 69.109 68.868 -0.185 0.000 1.011 234 T HN 0.534 nan 8.240 nan 0.000 0.509 235 D N -0.843 119.457 120.400 -0.167 0.000 2.654 235 D HA 0.518 5.157 4.640 -0.000 0.000 0.231 235 D C -0.416 175.892 176.300 0.013 0.000 1.239 235 D CA 0.903 54.865 54.000 -0.063 0.000 0.790 235 D CB 1.578 42.382 40.800 0.007 0.000 1.480 235 D HN 0.546 nan 8.370 nan 0.000 0.442 236 G N 0.697 109.554 108.800 0.095 0.000 2.777 236 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.686 236 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.686 236 G C -1.205 173.806 174.900 0.185 0.000 1.177 236 G CA -0.712 44.501 45.100 0.189 0.000 0.775 236 G HN 0.266 nan 8.290 nan 0.000 0.613 237 Y N 1.176 121.599 120.300 0.206 0.000 2.374 237 Y HA 0.560 5.110 4.550 -0.000 0.000 0.322 237 Y C 1.095 176.963 175.900 -0.054 0.000 1.275 237 Y CA -0.387 57.711 58.100 -0.004 0.000 1.307 237 Y CB 1.212 39.580 38.460 -0.153 0.000 1.282 237 Y HN 0.999 nan 8.280 nan 0.000 0.509 238 N N -0.432 118.103 118.700 -0.275 0.000 2.530 238 N HA 0.217 4.957 4.740 -0.000 0.000 0.283 238 N C 0.416 175.901 175.510 -0.043 0.000 1.238 238 N CA -0.577 52.258 53.050 -0.358 0.000 0.971 238 N CB 0.456 38.313 38.487 -1.051 0.000 1.195 238 N HN 0.528 nan 8.380 nan 0.000 0.583 239 I N -0.144 120.391 120.570 -0.058 0.000 2.361 239 I HA 0.018 4.188 4.170 -0.000 0.000 0.251 239 I C 1.906 177.864 176.117 -0.265 0.000 1.133 239 I CA 1.499 62.776 61.300 -0.039 0.000 1.413 239 I CB -1.000 36.974 38.000 -0.042 0.000 1.073 239 I HN 0.805 nan 8.210 nan 0.000 0.424 240 G N -0.432 108.084 108.800 -0.472 0.000 2.442 240 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.219 240 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.219 240 G C 1.791 176.358 174.900 -0.555 0.000 1.141 240 G CA 1.087 45.500 45.100 -1.144 0.000 0.763 240 G HN 0.596 nan 8.290 nan 0.000 0.554 241 H N -0.344 118.487 119.070 -0.398 0.000 2.357 241 H HA -0.176 4.380 4.556 -0.000 0.000 0.296 241 H C 2.156 177.149 175.328 -0.558 0.000 1.108 241 H CA 1.961 57.710 56.048 -0.498 0.000 1.273 241 H CB -0.141 29.147 29.762 -0.789 0.000 1.367 241 H HN 0.490 nan 8.280 nan 0.000 0.498 242 Y N 0.253 120.304 120.300 -0.415 0.000 2.314 242 Y HA -0.042 4.508 4.550 -0.000 0.000 0.294 242 Y C 2.945 178.615 175.900 -0.385 0.000 1.119 242 Y CA 0.525 58.395 58.100 -0.383 0.000 1.179 242 Y CB -0.123 38.215 38.460 -0.203 0.000 1.025 242 Y HN 0.077 nan 8.280 nan 0.000 0.541 243 L N -1.064 119.955 121.223 -0.340 0.000 2.056 243 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 243 L C 2.300 179.056 176.870 -0.190 0.000 1.078 243 L CA 1.554 56.154 54.840 -0.399 0.000 0.749 243 L CB -0.886 40.666 42.059 -0.845 0.000 0.901 243 L HN 0.161 nan 8.230 nan 0.000 0.433 244 T N -0.975 113.511 114.554 -0.112 0.000 2.708 244 T HA -0.292 4.057 4.350 -0.000 0.000 0.266 244 T C 1.844 176.496 174.700 -0.080 0.000 1.037 244 T CA 1.640 63.836 62.100 0.160 0.000 1.146 244 T CB -0.187 68.796 68.868 0.192 0.000 0.865 244 T HN 0.350 nan 8.240 nan 0.000 0.435 245 Q N 0.702 120.334 119.800 -0.280 0.000 2.096 245 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 245 Q C 2.083 177.929 176.000 -0.256 0.000 0.982 245 Q CA 1.557 57.172 55.803 -0.313 0.000 0.850 245 Q CB -0.080 28.355 28.738 -0.506 0.000 0.901 245 Q HN 0.356 nan 8.270 nan 0.000 0.422 246 K N -1.129 119.118 120.400 -0.256 0.000 2.487 246 K HA 0.048 4.368 4.320 -0.000 0.000 0.192 246 K C 0.342 176.736 176.600 -0.344 0.000 1.027 246 K CA 0.598 56.748 56.287 -0.229 0.000 1.054 246 K CB 0.147 32.554 32.500 -0.154 0.000 0.824 246 K HN 0.461 nan 8.250 nan 0.000 0.510 247 G N 1.749 110.189 108.800 -0.600 0.000 2.225 247 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.264 247 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.264 247 G C -0.144 174.263 174.900 -0.822 0.000 1.060 247 G CA 0.039 44.390 45.100 -1.248 0.000 0.833 247 G HN 0.277 nan 8.290 nan 0.000 0.498 248 I N 2.125 122.467 120.570 -0.379 0.000 2.304 248 I HA 0.248 4.418 4.170 -0.000 0.000 0.291 248 I C 1.298 177.612 176.117 0.328 0.000 1.018 248 I CA -0.311 60.945 61.300 -0.073 0.000 1.260 248 I CB 1.144 39.007 38.000 -0.228 0.000 1.390 248 I HN 0.307 nan 8.210 nan 0.000 0.475 249 T N 4.758 119.562 114.554 0.416 0.000 2.871 249 T HA 0.068 4.418 4.350 -0.000 0.000 0.296 249 T C -0.517 174.436 174.700 0.420 0.000 0.998 249 T CA -0.333 62.057 62.100 0.483 0.000 1.162 249 T CB 0.263 69.311 68.868 0.299 0.000 0.947 249 T HN 0.732 nan 8.240 nan 0.000 0.536 250 W N 0.936 122.389 121.300 0.256 0.000 3.074 250 W HA 0.652 5.311 4.660 -0.000 0.000 0.332 250 W C -0.959 175.755 176.519 0.326 0.000 1.253 250 W CA -1.326 56.132 57.345 0.188 0.000 1.180 250 W CB 1.338 30.789 29.460 -0.015 0.000 1.445 250 W HN 1.124 nan 8.180 nan 0.000 0.573 251 G N 0.509 109.516 108.800 0.346 0.000 2.667 251 G HA2 0.396 4.356 3.960 -0.000 0.000 0.294 251 G HA3 0.396 4.356 3.960 -0.000 0.000 0.294 251 G C -2.653 172.300 174.900 0.089 0.000 1.467 251 G CA -0.838 44.176 45.100 -0.143 0.000 0.852 251 G HN 0.708 nan 8.290 nan 0.000 0.521 252 W N 2.740 123.829 121.300 -0.352 0.000 2.349 252 W HA 0.701 5.361 4.660 -0.000 0.000 0.309 252 W C -1.968 174.362 176.519 -0.314 0.000 1.083 252 W CA -1.346 55.976 57.345 -0.038 0.000 1.224 252 W CB 1.093 30.606 29.460 0.088 0.000 1.256 252 W HN 0.266 nan 8.180 nan 0.000 0.461 253 F N 4.864 124.691 119.950 -0.204 0.000 2.445 253 F HA 0.265 4.792 4.527 -0.000 0.000 0.348 253 F C 0.242 175.957 175.800 -0.142 0.000 1.125 253 F CA -0.697 57.250 58.000 -0.090 0.000 0.983 253 F CB 1.619 40.564 39.000 -0.093 0.000 1.198 253 F HN 0.275 nan 8.300 nan 0.000 0.436 254 Q N 2.051 121.976 119.800 0.207 0.000 2.356 254 Q HA 0.614 4.954 4.340 -0.000 0.000 0.270 254 Q C -0.133 176.100 176.000 0.389 0.000 1.058 254 Q CA -0.954 55.035 55.803 0.311 0.000 0.802 254 Q CB 2.177 31.291 28.738 0.628 0.000 1.303 254 Q HN 0.850 nan 8.270 nan 0.000 0.444 255 G N 0.893 109.859 108.800 0.276 0.000 2.313 255 G HA2 0.373 4.333 3.960 -0.000 0.000 0.250 255 G HA3 0.373 4.333 3.960 -0.000 0.000 0.250 255 G C 0.871 175.994 174.900 0.371 0.000 1.281 255 G CA 0.472 45.735 45.100 0.273 0.000 0.917 255 G HN 1.183 nan 8.290 nan 0.000 0.501 256 G N 1.955 110.956 108.800 0.336 0.000 2.195 256 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.246 256 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.246 256 G C 1.096 176.119 174.900 0.204 0.000 0.984 256 G CA 0.808 46.088 45.100 0.300 0.000 0.633 256 G HN 0.838 nan 8.290 nan 0.000 0.525 257 F N 1.497 121.512 119.950 0.108 0.000 2.171 257 F HA 0.172 4.699 4.527 -0.000 0.000 0.300 257 F C 1.669 177.486 175.800 0.027 0.000 1.090 257 F CA 1.821 59.752 58.000 -0.113 0.000 1.293 257 F CB 0.098 39.144 39.000 0.076 0.000 1.013 257 F HN 0.149 nan 8.300 nan 0.000 0.486 258 K N 2.664 123.204 120.400 0.233 0.000 2.419 258 K HA 0.069 4.389 4.320 -0.000 0.000 0.282 258 K C -2.444 174.139 176.600 -0.029 0.000 1.056 258 K CA -1.696 54.678 56.287 0.146 0.000 1.035 258 K CB 0.194 32.815 32.500 0.202 0.000 0.921 258 K HN -0.034 nan 8.250 nan 0.000 0.472 259 P HA -0.038 nan 4.420 nan 0.000 0.266 259 P C 0.337 177.559 177.300 -0.130 0.000 1.195 259 P CA -0.010 62.922 63.100 -0.279 0.000 0.768 259 P CB 0.797 32.173 31.700 -0.541 0.000 0.838 260 T N -1.491 112.987 114.554 -0.126 0.000 3.055 260 T HA 0.090 4.440 4.350 -0.000 0.000 0.265 260 T C 0.698 175.371 174.700 -0.045 0.000 1.111 260 T CA 0.717 62.785 62.100 -0.053 0.000 1.118 260 T CB -0.319 68.525 68.868 -0.041 0.000 0.909 260 T HN 0.595 nan 8.240 nan 0.000 0.501 261 S N -0.981 114.651 115.700 -0.113 0.000 2.636 261 S HA 0.641 5.111 4.470 -0.000 0.000 0.268 261 S C -2.142 172.345 174.600 -0.188 0.000 1.159 261 S CA -1.210 56.959 58.200 -0.052 0.000 0.815 261 S CB 0.902 64.089 63.200 -0.023 0.000 1.130 261 S HN 0.202 nan 8.310 nan 0.000 0.471 262 Y N 0.114 120.399 120.300 -0.024 0.000 2.499 262 Y HA 0.740 5.290 4.550 -0.000 0.000 0.347 262 Y C 0.218 176.105 175.900 -0.020 0.000 0.987 262 Y CA -0.512 57.573 58.100 -0.024 0.000 1.044 262 Y CB 2.625 41.073 38.460 -0.021 0.000 1.245 262 Y HN 0.785 nan 8.280 nan 0.000 0.461 263 S N 2.266 118.046 115.700 0.133 0.000 2.158 263 S HA 0.485 4.955 4.470 -0.000 0.000 0.160 263 S C -0.361 174.281 174.600 0.070 0.000 1.693 263 S CA 0.010 58.252 58.200 0.069 0.000 1.251 263 S CB -0.593 62.618 63.200 0.018 0.000 1.153 263 S HN 1.243 nan 8.310 nan 0.000 0.439 264 G N 2.038 110.879 108.800 0.067 0.000 2.434 264 G HA2 0.129 4.088 3.960 -0.000 0.000 0.224 264 G HA3 0.129 4.088 3.960 -0.000 0.000 0.224 264 G C 0.742 175.667 174.900 0.041 0.000 0.807 264 G CA 0.663 45.782 45.100 0.031 0.000 1.113 264 G HN 1.857 nan 8.290 nan 0.000 0.327 265 K N -1.231 119.179 120.400 0.017 0.000 3.518 265 K HA -0.300 4.020 4.320 -0.000 0.000 0.287 265 K C 1.392 178.081 176.600 0.149 0.000 0.935 265 K CA 3.200 59.463 56.287 -0.041 0.000 1.201 265 K CB -2.325 30.104 32.500 -0.118 0.000 1.453 265 K HN 2.206 nan 8.250 nan 0.000 0.443 266 T N 1.206 115.888 114.554 0.213 0.000 2.749 266 T HA 0.643 4.993 4.350 -0.000 0.000 0.295 266 T C 0.485 175.253 174.700 0.114 0.000 0.936 266 T CA 0.122 62.358 62.100 0.226 0.000 1.060 266 T CB 1.416 70.345 68.868 0.102 0.000 0.904 266 T HN 1.106 nan 8.240 nan 0.000 0.500 267 A N 4.501 127.300 122.820 -0.036 0.000 2.401 267 A HA 0.562 4.882 4.320 -0.000 0.000 0.259 267 A C 0.005 177.315 177.584 -0.456 0.000 1.103 267 A CA -0.519 51.134 52.037 -0.640 0.000 0.789 267 A CB 0.008 18.652 19.000 -0.592 0.000 1.035 267 A HN 0.713 nan 8.150 nan 0.000 0.491 268 I N 2.091 122.348 120.570 -0.521 0.000 2.355 268 I HA 0.208 4.378 4.170 -0.000 0.000 0.288 268 I C -0.594 175.330 176.117 -0.322 0.000 0.999 268 I CA -0.535 60.577 61.300 -0.312 0.000 1.163 268 I CB 0.764 38.650 38.000 -0.190 0.000 1.316 268 I HN 0.549 nan 8.210 nan 0.000 0.454 269 c N 4.761 123.196 118.600 -0.276 0.000 2.250 269 c HA 0.298 4.868 4.570 -0.000 0.000 0.380 269 c C 0.915 174.955 174.090 -0.084 0.000 1.075 269 c CA -0.581 55.616 56.329 -0.219 0.000 1.577 269 c CB -1.123 41.230 42.510 -0.262 0.000 1.608 269 c HN 0.605 nan 8.230 nan 0.000 0.477 270 D N 1.264 121.619 120.400 -0.074 0.000 2.388 270 D HA 0.172 4.812 4.640 -0.000 0.000 0.221 270 D C 1.088 177.378 176.300 -0.017 0.000 1.133 270 D CA 0.220 54.197 54.000 -0.038 0.000 0.831 270 D CB 0.301 41.076 40.800 -0.042 0.000 0.962 270 D HN 0.623 nan 8.370 nan 0.000 0.502 271 A N 0.912 123.732 122.820 -0.001 0.000 2.520 271 A HA 0.371 4.691 4.320 -0.000 0.000 0.245 271 A C 0.351 177.944 177.584 0.014 0.000 1.072 271 A CA 0.325 52.373 52.037 0.018 0.000 0.761 271 A CB 0.083 19.114 19.000 0.051 0.000 1.004 271 A HN 0.119 nan 8.150 nan 0.000 0.499 272 M N 1.802 121.395 119.600 -0.012 0.000 2.518 272 M HA 0.459 4.939 4.480 -0.000 0.000 0.300 272 M C -0.606 175.634 176.300 -0.100 0.000 1.175 272 M CA -0.310 54.967 55.300 -0.038 0.000 0.890 272 M CB 2.490 35.069 32.600 -0.036 0.000 1.710 272 M HN 0.608 nan 8.290 nan 0.000 0.453 273 S N 0.289 115.883 115.700 -0.176 0.000 2.599 273 S HA 0.660 5.130 4.470 -0.000 0.000 0.294 273 S C -0.686 173.742 174.600 -0.287 0.000 1.094 273 S CA -0.695 57.266 58.200 -0.398 0.000 0.931 273 S CB 2.328 64.888 63.200 -1.068 0.000 1.093 273 S HN 0.628 nan 8.310 nan 0.000 0.488 274 T N 3.331 117.723 114.554 -0.270 0.000 2.771 274 T HA 0.400 4.750 4.350 -0.000 0.000 0.281 274 T C 0.231 174.903 174.700 -0.047 0.000 0.982 274 T CA -0.826 61.216 62.100 -0.098 0.000 0.978 274 T CB 0.442 69.280 68.868 -0.050 0.000 0.930 274 T HN 0.721 nan 8.240 nan 0.000 0.447 275 N N 2.033 120.801 118.700 0.113 0.000 2.379 275 N HA 0.273 5.013 4.740 -0.000 0.000 0.260 275 N C 1.442 176.990 175.510 0.062 0.000 1.254 275 N CA -0.242 52.946 53.050 0.229 0.000 0.958 275 N CB 0.215 38.890 38.487 0.313 0.000 1.208 275 N HN 0.454 nan 8.380 nan 0.000 0.532 276 K N -0.142 120.210 120.400 -0.080 0.000 2.160 276 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 276 K C 1.267 177.629 176.600 -0.396 0.000 1.047 276 K CA 1.760 57.842 56.287 -0.342 0.000 0.930 276 K CB -1.286 30.821 32.500 -0.655 0.000 0.720 276 K HN 0.600 nan 8.250 nan 0.000 0.450 277 F N -0.229 119.768 119.950 0.078 0.000 2.660 277 F HA 0.412 4.939 4.527 -0.000 0.000 0.297 277 F C 1.763 177.595 175.800 0.054 0.000 1.132 277 F CA -0.282 57.751 58.000 0.054 0.000 1.372 277 F CB 0.069 39.106 39.000 0.061 0.000 1.003 277 F HN 0.351 nan 8.300 nan 0.000 0.524 278 G N -0.071 108.819 108.800 0.149 0.000 2.179 278 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 278 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 278 G C 0.092 175.059 174.900 0.111 0.000 0.977 278 G CA 0.099 45.263 45.100 0.105 0.000 0.641 278 G HN 0.160 nan 8.290 nan 0.000 0.533 279 V N 1.427 121.435 119.914 0.157 0.000 2.439 279 V HA 0.594 4.714 4.120 -0.000 0.000 0.271 279 V C 0.957 177.125 176.094 0.123 0.000 1.040 279 V CA 0.526 62.918 62.300 0.154 0.000 1.002 279 V CB 0.567 32.517 31.823 0.212 0.000 1.000 279 V HN 0.793 nan 8.190 nan 0.000 0.477 280 K N 3.317 123.763 120.400 0.076 0.000 2.276 280 K HA 0.685 5.005 4.320 -0.000 0.000 0.283 280 K C 0.219 176.846 176.600 0.044 0.000 1.044 280 K CA 0.055 56.363 56.287 0.035 0.000 0.944 280 K CB 1.165 33.670 32.500 0.009 0.000 1.012 280 K HN 1.051 nan 8.250 nan 0.000 0.472 281 S N 0.347 116.062 115.700 0.025 0.000 2.579 281 S HA 0.628 5.098 4.470 -0.000 0.000 0.272 281 S C -0.262 174.310 174.600 -0.047 0.000 1.141 281 S CA -1.012 57.177 58.200 -0.017 0.000 0.843 281 S CB 0.965 64.170 63.200 0.008 0.000 1.122 281 S HN 0.919 nan 8.310 nan 0.000 0.468 282 R N 0.862 121.301 120.500 -0.103 0.000 2.570 282 R HA 0.226 4.566 4.340 -0.000 0.000 0.277 282 R C -0.648 175.643 176.300 -0.014 0.000 1.039 282 R CA -0.110 55.953 56.100 -0.061 0.000 1.065 282 R CB -0.132 30.115 30.300 -0.087 0.000 0.964 282 R HN 0.580 nan 8.270 nan 0.000 0.428 283 D N 0.914 121.355 120.400 0.069 0.000 2.123 283 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 283 D C -0.191 176.228 176.300 0.197 0.000 0.976 283 D CA 1.323 55.416 54.000 0.156 0.000 0.831 283 D CB -0.155 40.752 40.800 0.180 0.000 0.974 283 D HN 0.517 nan 8.370 nan 0.000 0.469 284 Y N 0.764 121.094 120.300 0.050 0.000 2.327 284 Y HA 0.395 4.945 4.550 -0.000 0.000 0.336 284 Y C -0.407 175.494 175.900 0.000 0.000 1.035 284 Y CA -0.786 57.362 58.100 0.080 0.000 1.165 284 Y CB 0.397 38.912 38.460 0.091 0.000 1.181 284 Y HN -0.202 nan 8.280 nan 0.000 0.494 285 I N 10.105 130.323 120.570 -0.587 0.000 2.428 285 I HA 0.246 4.416 4.170 -0.000 0.000 0.279 285 I C -1.897 173.701 176.117 -0.864 0.000 1.040 285 I CA -1.980 58.918 61.300 -0.671 0.000 1.171 285 I CB 1.611 39.172 38.000 -0.732 0.000 1.312 285 I HN 0.532 nan 8.210 nan 0.000 0.470 286 P HA -0.221 nan 4.420 nan 0.000 0.216 286 P C 1.299 178.518 177.300 -0.135 0.000 1.153 286 P CA 1.486 64.340 63.100 -0.411 0.000 0.858 286 P CB -0.130 31.491 31.700 -0.132 0.000 0.789 287 H N -2.295 116.711 119.070 -0.107 0.000 2.562 287 H HA 0.018 4.574 4.556 -0.000 0.000 0.272 287 H C 0.687 176.190 175.328 0.292 0.000 1.019 287 H CA 0.705 56.835 56.048 0.136 0.000 1.160 287 H CB -1.268 28.566 29.762 0.119 0.000 1.334 287 H HN 0.396 nan 8.280 nan 0.000 0.611 288 H N -0.197 118.759 119.070 -0.191 0.000 2.586 288 H HA 0.147 4.703 4.556 -0.000 0.000 0.273 288 H C 0.053 175.447 175.328 0.111 0.000 0.997 288 H CA -0.246 55.804 56.048 0.004 0.000 1.177 288 H CB 0.980 30.752 29.762 0.016 0.000 1.471 288 H HN 0.172 nan 8.280 nan 0.000 0.538 289 E N 2.233 122.511 120.200 0.131 0.000 2.103 289 E HA 0.092 4.442 4.350 -0.000 0.000 0.254 289 E C -1.887 174.643 176.600 -0.116 0.000 0.940 289 E CA -2.208 54.095 56.400 -0.162 0.000 0.771 289 E CB 1.234 31.000 29.700 0.110 0.000 1.153 289 E HN 0.315 nan 8.360 nan 0.000 0.428 290 P HA -0.064 nan 4.420 nan 0.000 0.220 290 P C 1.166 178.512 177.300 0.077 0.000 1.152 290 P CA 0.666 63.666 63.100 -0.167 0.000 0.812 290 P CB 0.040 31.405 31.700 -0.558 0.000 0.792 291 F N 0.635 120.571 119.950 -0.023 0.000 2.365 291 F HA -0.028 4.499 4.527 -0.000 0.000 0.300 291 F C 1.807 177.764 175.800 0.262 0.000 1.090 291 F CA 0.895 58.973 58.000 0.130 0.000 1.408 291 F CB -1.330 37.674 39.000 0.006 0.000 1.060 291 F HN -0.079 nan 8.300 nan 0.000 0.534 292 N N -1.125 117.764 118.700 0.314 0.000 2.515 292 N HA -0.076 4.664 4.740 -0.000 0.000 0.191 292 N C 0.937 176.557 175.510 0.183 0.000 1.182 292 N CA 0.493 53.673 53.050 0.216 0.000 0.879 292 N CB -0.409 38.139 38.487 0.102 0.000 0.984 292 N HN 0.333 nan 8.380 nan 0.000 0.453 293 Y N -1.530 118.930 120.300 0.266 0.000 2.503 293 Y HA 0.143 4.693 4.550 -0.000 0.000 0.278 293 Y C 0.838 176.767 175.900 0.050 0.000 1.111 293 Y CA -0.015 58.142 58.100 0.095 0.000 1.270 293 Y CB 0.357 38.704 38.460 -0.188 0.000 1.063 293 Y HN 0.029 nan 8.280 nan 0.000 0.548 294 W N 0.608 122.053 121.300 0.241 0.000 2.469 294 W HA 0.284 4.943 4.660 -0.000 0.000 0.320 294 W C 1.058 177.532 176.519 -0.075 0.000 1.086 294 W CA -0.466 56.950 57.345 0.118 0.000 1.211 294 W CB 1.149 30.681 29.460 0.120 0.000 1.298 294 W HN -0.089 nan 8.180 nan 0.000 0.525 295 K N 1.224 121.532 120.400 -0.154 0.000 2.063 295 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 295 K C 1.953 178.412 176.600 -0.235 0.000 1.048 295 K CA 2.283 58.131 56.287 -0.731 0.000 0.928 295 K CB -1.182 30.933 32.500 -0.641 0.000 0.713 295 K HN 0.621 nan 8.250 nan 0.000 0.442 296 E N 0.753 120.965 120.200 0.021 0.000 2.085 296 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 296 E C 2.092 178.752 176.600 0.100 0.000 0.994 296 E CA 2.125 58.575 56.400 0.082 0.000 0.801 296 E CB -1.187 28.610 29.700 0.163 0.000 0.743 296 E HN 0.896 nan 8.360 nan 0.000 0.453 297 T N -1.192 113.466 114.554 0.172 0.000 3.122 297 T HA 0.244 4.594 4.350 -0.000 0.000 0.250 297 T C 1.014 175.813 174.700 0.165 0.000 1.067 297 T CA 0.405 62.632 62.100 0.210 0.000 0.966 297 T CB -0.298 68.771 68.868 0.335 0.000 1.002 297 T HN 0.474 nan 8.240 nan 0.000 0.542 298 S N 1.529 117.280 115.700 0.084 0.000 2.632 298 S HA 0.522 4.992 4.470 -0.000 0.000 0.271 298 S C -0.203 174.381 174.600 -0.027 0.000 1.260 298 S CA -0.870 57.358 58.200 0.047 0.000 1.010 298 S CB 1.112 64.323 63.200 0.018 0.000 0.965 298 S HN 0.254 nan 8.310 nan 0.000 0.534 299 N N 1.583 120.269 118.700 -0.022 0.000 2.790 299 N HA 0.357 5.097 4.740 -0.000 0.000 0.256 299 N C -2.055 173.418 175.510 -0.063 0.000 1.409 299 N CA -2.269 50.764 53.050 -0.029 0.000 0.799 299 N CB 1.175 39.665 38.487 0.005 0.000 1.170 299 N HN 0.327 nan 8.380 nan 0.000 0.507 300 P HA -0.112 nan 4.420 nan 0.000 0.218 300 P C 0.384 177.584 177.300 -0.167 0.000 1.148 300 P CA 1.317 64.203 63.100 -0.357 0.000 0.822 300 P CB 0.164 31.229 31.700 -1.059 0.000 0.784 301 H N -2.160 116.979 119.070 0.116 0.000 2.526 301 H HA 0.093 4.649 4.556 -0.000 0.000 0.274 301 H C 0.081 175.564 175.328 0.258 0.000 0.999 301 H CA 0.095 56.271 56.048 0.214 0.000 1.157 301 H CB -0.797 29.099 29.762 0.224 0.000 1.407 301 H HN 0.270 nan 8.280 nan 0.000 0.568 302 H N -0.479 118.575 119.070 -0.026 0.000 2.713 302 H HA -0.144 4.412 4.556 -0.000 0.000 0.311 302 H C 0.009 175.426 175.328 0.148 0.000 1.175 302 H CA 0.115 56.051 56.048 -0.187 0.000 1.143 302 H CB -2.345 26.999 29.762 -0.697 0.000 1.434 302 H HN 0.321 nan 8.280 nan 0.000 0.418 303 L N -0.121 121.269 121.223 0.278 0.000 2.453 303 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 303 L C 1.357 178.350 176.870 0.206 0.000 1.182 303 L CA 0.267 55.237 54.840 0.217 0.000 0.858 303 L CB 0.505 42.641 42.059 0.129 0.000 1.120 303 L HN 0.484 nan 8.230 nan 0.000 0.474 304 A N 5.764 128.696 122.820 0.187 0.000 2.406 304 A HA 0.442 4.762 4.320 -0.000 0.000 0.243 304 A C -2.186 175.480 177.584 0.137 0.000 1.082 304 A CA -1.170 50.982 52.037 0.191 0.000 0.786 304 A CB -0.380 18.717 19.000 0.162 0.000 1.029 304 A HN 0.483 nan 8.150 nan 0.000 0.495 305 P HA -0.002 nan 4.420 nan 0.000 0.266 305 P C 1.001 178.330 177.300 0.048 0.000 1.193 305 P CA 0.737 63.916 63.100 0.130 0.000 0.770 305 P CB 0.546 32.338 31.700 0.153 0.000 0.836 306 S N 0.475 116.162 115.700 -0.022 0.000 2.400 306 S HA -0.150 4.320 4.470 -0.000 0.000 0.232 306 S C 0.484 175.066 174.600 -0.031 0.000 1.025 306 S CA 1.345 59.494 58.200 -0.084 0.000 0.993 306 S CB -0.524 62.529 63.200 -0.246 0.000 0.808 306 S HN 0.645 nan 8.310 nan 0.000 0.478 307 D N -1.763 118.661 120.400 0.040 0.000 2.653 307 D HA 0.320 4.960 4.640 -0.000 0.000 0.258 307 D C -0.639 175.721 176.300 0.100 0.000 1.252 307 D CA -0.509 53.542 54.000 0.084 0.000 0.777 307 D CB 0.942 41.816 40.800 0.123 0.000 1.339 307 D HN -0.237 nan 8.370 nan 0.000 0.422 308 D N 0.895 121.336 120.400 0.068 0.000 2.190 308 D HA -0.137 4.503 4.640 -0.000 0.000 0.200 308 D C 1.861 178.173 176.300 0.020 0.000 0.992 308 D CA 2.027 56.048 54.000 0.036 0.000 0.854 308 D CB -0.103 40.714 40.800 0.027 0.000 0.936 308 D HN 0.455 nan 8.370 nan 0.000 0.462 309 K N -0.055 120.374 120.400 0.048 0.000 2.211 309 K HA -0.123 4.197 4.320 -0.000 0.000 0.203 309 K C 1.798 178.329 176.600 -0.116 0.000 1.050 309 K CA 0.935 57.208 56.287 -0.023 0.000 0.945 309 K CB -1.051 31.442 32.500 -0.011 0.000 0.732 309 K HN 0.324 nan 8.250 nan 0.000 0.451 310 Y N -0.025 120.231 120.300 -0.074 0.000 2.466 310 Y HA 0.340 4.890 4.550 -0.000 0.000 0.272 310 Y C 0.528 176.332 175.900 -0.160 0.000 1.169 310 Y CA -0.902 57.128 58.100 -0.117 0.000 1.285 310 Y CB -0.160 38.233 38.460 -0.112 0.000 1.078 310 Y HN 0.065 nan 8.280 nan 0.000 0.523 311 I N 0.462 120.998 120.570 -0.058 0.000 2.741 311 I HA -0.056 4.114 4.170 -0.000 0.000 0.288 311 I C 1.475 177.486 176.117 -0.178 0.000 1.192 311 I CA 1.531 62.696 61.300 -0.225 0.000 1.426 311 I CB -0.059 37.783 38.000 -0.263 0.000 1.367 311 I HN 0.520 nan 8.210 nan 0.000 0.563 312 G N 3.538 112.240 108.800 -0.163 0.000 2.268 312 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.240 312 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.240 312 G C 0.482 175.261 174.900 -0.201 0.000 1.010 312 G CA 0.286 45.370 45.100 -0.027 0.000 0.618 312 G HN 0.557 nan 8.290 nan 0.000 0.516 313 S N 0.044 115.486 115.700 -0.429 0.000 2.623 313 S HA 0.604 5.074 4.470 -0.000 0.000 0.278 313 S C 0.201 174.218 174.600 -0.973 0.000 1.148 313 S CA -0.479 57.147 58.200 -0.956 0.000 1.028 313 S CB 0.539 63.392 63.200 -0.579 0.000 1.145 313 S HN 0.367 nan 8.310 nan 0.000 0.523 314 N N 2.350 120.561 118.700 -0.815 0.000 2.444 314 N HA 0.446 5.186 4.740 -0.000 0.000 0.271 314 N C -0.765 174.625 175.510 -0.200 0.000 1.069 314 N CA -0.091 52.732 53.050 -0.379 0.000 0.965 314 N CB 0.554 39.004 38.487 -0.061 0.000 1.092 314 N HN 0.672 nan 8.380 nan 0.000 0.476 315 D N -1.150 119.104 120.400 -0.244 0.000 3.010 315 D HA -0.038 4.602 4.640 -0.000 0.000 0.353 315 D C 0.540 176.739 176.300 -0.168 0.000 1.415 315 D CA -0.470 53.409 54.000 -0.201 0.000 0.864 315 D CB 0.038 40.691 40.800 -0.246 0.000 1.445 315 D HN 0.360 nan 8.370 nan 0.000 0.516 316 Q N -0.394 119.329 119.800 -0.128 0.000 2.248 316 Q HA -0.137 4.203 4.340 -0.000 0.000 0.208 316 Q C 1.633 177.581 176.000 -0.086 0.000 0.984 316 Q CA 2.168 57.924 55.803 -0.079 0.000 0.875 316 Q CB -0.543 28.166 28.738 -0.048 0.000 0.910 316 Q HN 0.466 nan 8.270 nan 0.000 0.433 317 A N 1.592 124.331 122.820 -0.135 0.000 2.119 317 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 317 A C 0.960 178.309 177.584 -0.392 0.000 1.153 317 A CA 0.687 52.593 52.037 -0.219 0.000 0.692 317 A CB -0.510 18.353 19.000 -0.228 0.000 0.799 317 A HN 0.610 nan 8.150 nan 0.000 0.458 318 N N -0.167 118.312 118.700 -0.368 0.000 2.714 318 N HA -0.251 4.489 4.740 -0.000 0.000 0.252 318 N C 0.007 175.201 175.510 -0.526 0.000 1.014 318 N CA 1.237 54.090 53.050 -0.330 0.000 0.735 318 N CB -1.975 36.429 38.487 -0.139 0.000 0.924 318 N HN 0.737 nan 8.380 nan 0.000 0.540 319 H N -3.447 115.068 119.070 -0.924 0.000 3.211 319 H HA -0.202 4.354 4.556 -0.000 0.000 0.240 319 H C -0.688 173.693 175.328 -1.579 0.000 1.148 319 H CA 1.503 56.730 56.048 -1.369 0.000 1.160 319 H CB -1.087 27.485 29.762 -1.983 0.000 1.232 319 H HN 0.511 nan 8.280 nan 0.000 0.321 320 Q N 0.350 119.305 119.800 -1.408 0.000 2.333 320 Q HA 0.542 4.882 4.340 -0.000 0.000 0.265 320 Q C -0.453 174.653 176.000 -1.490 0.000 0.989 320 Q CA -0.249 54.866 55.803 -1.147 0.000 0.842 320 Q CB 1.469 29.834 28.738 -0.623 0.000 1.262 320 Q HN 0.246 nan 8.270 nan 0.000 0.451 321 Y N -0.566 119.106 120.300 -1.046 0.000 2.581 321 Y HA 0.254 4.804 4.550 -0.000 0.000 0.345 321 Y C 0.086 175.755 175.900 -0.386 0.000 1.036 321 Y CA -1.423 56.297 58.100 -0.634 0.000 1.042 321 Y CB 1.386 39.583 38.460 -0.439 0.000 1.289 321 Y HN 0.485 nan 8.280 nan 0.000 0.471 322 D N 0.504 121.094 120.400 0.317 0.000 2.382 322 D HA 0.026 4.665 4.640 -0.000 0.000 0.240 322 D C 1.087 177.636 176.300 0.416 0.000 1.146 322 D CA 0.059 54.312 54.000 0.421 0.000 0.897 322 D CB 0.843 41.892 40.800 0.416 0.000 1.197 322 D HN 0.510 nan 8.370 nan 0.000 0.432 323 I N 2.377 123.184 120.570 0.396 0.000 2.335 323 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 323 I C 2.075 178.393 176.117 0.336 0.000 1.129 323 I CA 1.858 63.384 61.300 0.377 0.000 1.402 323 I CB -0.729 37.523 38.000 0.420 0.000 1.069 323 I HN 0.588 nan 8.210 nan 0.000 0.424 324 S N 0.199 116.131 115.700 0.385 0.000 2.402 324 S HA -0.223 4.247 4.470 -0.000 0.000 0.233 324 S C 1.734 176.495 174.600 0.268 0.000 1.030 324 S CA 1.441 59.872 58.200 0.384 0.000 1.003 324 S CB -0.735 62.651 63.200 0.309 0.000 0.813 324 S HN 0.597 nan 8.310 nan 0.000 0.477 325 E N 0.449 120.793 120.200 0.241 0.000 2.216 325 E HA 0.024 4.374 4.350 -0.000 0.000 0.192 325 E C 1.573 178.143 176.600 -0.049 0.000 0.988 325 E CA 0.435 56.917 56.400 0.136 0.000 0.834 325 E CB -0.493 29.297 29.700 0.149 0.000 0.772 325 E HN 0.677 nan 8.360 nan 0.000 0.479 326 F N 0.661 120.324 119.950 -0.478 0.000 2.102 326 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 326 F C 1.796 177.193 175.800 -0.672 0.000 1.105 326 F CA 1.483 58.798 58.000 -1.142 0.000 1.239 326 F CB -0.526 37.477 39.000 -1.660 0.000 0.991 326 F HN -0.031 nan 8.300 nan 0.000 0.474 327 W N 0.812 121.958 121.300 -0.257 0.000 2.402 327 W HA -0.093 4.567 4.660 -0.000 0.000 0.286 327 W C 2.378 178.769 176.519 -0.213 0.000 1.221 327 W CA 0.899 58.083 57.345 -0.269 0.000 1.257 327 W CB -0.411 29.004 29.460 -0.075 0.000 1.120 327 W HN -0.099 nan 8.180 nan 0.000 0.551 328 K N 0.429 120.857 120.400 0.048 0.000 2.026 328 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 328 K C 2.351 178.903 176.600 -0.080 0.000 1.048 328 K CA 1.510 57.805 56.287 0.014 0.000 0.929 328 K CB -0.658 31.860 32.500 0.031 0.000 0.713 328 K HN 0.107 nan 8.250 nan 0.000 0.439 329 A N 1.556 124.259 122.820 -0.196 0.000 1.858 329 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 329 A C 2.181 179.610 177.584 -0.258 0.000 1.190 329 A CA 1.346 53.248 52.037 -0.226 0.000 0.617 329 A CB -0.682 18.155 19.000 -0.273 0.000 0.827 329 A HN 0.253 nan 8.150 nan 0.000 0.443 330 L N 0.005 120.962 121.223 -0.444 0.000 2.012 330 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 330 L C 1.574 178.354 176.870 -0.151 0.000 1.073 330 L CA 2.601 57.204 54.840 -0.394 0.000 0.748 330 L CB -0.574 41.128 42.059 -0.595 0.000 0.891 330 L HN 0.333 nan 8.230 nan 0.000 0.431 331 D N -0.767 119.613 120.400 -0.035 0.000 2.264 331 D HA -0.145 4.495 4.640 -0.000 0.000 0.208 331 D C 1.643 178.036 176.300 0.154 0.000 0.966 331 D CA 0.983 55.078 54.000 0.158 0.000 0.864 331 D CB -0.008 40.933 40.800 0.235 0.000 0.933 331 D HN 0.563 nan 8.370 nan 0.000 0.499 332 Q N -0.197 119.622 119.800 0.033 0.000 2.204 332 Q HA 0.180 4.520 4.340 -0.000 0.000 0.209 332 Q C -0.464 175.535 176.000 -0.002 0.000 0.861 332 Q CA -0.192 55.620 55.803 0.016 0.000 0.971 332 Q CB 0.005 28.738 28.738 -0.009 0.000 1.095 332 Q HN 0.220 nan 8.270 nan 0.000 0.486 333 N N 0.391 119.085 118.700 -0.009 0.000 2.741 333 N HA -0.177 4.563 4.740 -0.000 0.000 0.250 333 N C -0.610 174.888 175.510 -0.020 0.000 1.115 333 N CA 0.241 53.279 53.050 -0.021 0.000 0.724 333 N CB -0.619 37.869 38.487 0.001 0.000 1.090 333 N HN 0.221 nan 8.380 nan 0.000 0.558 334 N N 0.415 119.088 118.700 -0.046 0.000 2.416 334 N HA 0.142 4.882 4.740 -0.000 0.000 0.267 334 N C -0.231 175.254 175.510 -0.042 0.000 1.294 334 N CA -0.202 52.831 53.050 -0.029 0.000 0.891 334 N CB 0.310 38.767 38.487 -0.049 0.000 1.238 334 N HN 0.418 nan 8.380 nan 0.000 0.508 335 M N 1.944 121.496 119.600 -0.080 0.000 2.290 335 M HA 0.087 4.567 4.480 -0.000 0.000 0.356 335 M C -2.245 174.147 176.300 0.153 0.000 1.448 335 M CA -0.439 54.794 55.300 -0.111 0.000 0.993 335 M CB 0.507 32.920 32.600 -0.311 0.000 1.934 335 M HN -0.128 nan 8.290 nan 0.000 0.461 336 P HA 0.066 nan 4.420 nan 0.000 0.269 336 P C -0.424 177.083 177.300 0.346 0.000 1.215 336 P CA 0.017 63.282 63.100 0.275 0.000 0.780 336 P CB 0.562 32.464 31.700 0.337 0.000 0.898 337 A N 2.219 125.159 122.820 0.199 0.000 1.933 337 A HA -0.031 4.288 4.320 -0.000 0.000 0.218 337 A C 0.682 178.224 177.584 -0.069 0.000 1.175 337 A CA 1.670 53.734 52.037 0.045 0.000 0.628 337 A CB -0.602 18.262 19.000 -0.227 0.000 0.814 337 A HN 0.425 nan 8.150 nan 0.000 0.444 338 V N 0.650 120.533 119.914 -0.052 0.000 2.447 338 V HA 0.466 4.586 4.120 -0.000 0.000 0.292 338 V C -0.872 175.320 176.094 0.163 0.000 1.021 338 V CA -0.460 61.802 62.300 -0.063 0.000 0.850 338 V CB 1.493 33.190 31.823 -0.211 0.000 1.005 338 V HN 0.230 nan 8.190 nan 0.000 0.426 339 S N 4.177 119.915 115.700 0.064 0.000 2.605 339 S HA 0.701 5.171 4.470 -0.000 0.000 0.308 339 S C -1.112 173.416 174.600 -0.121 0.000 1.113 339 S CA -0.529 57.765 58.200 0.157 0.000 1.049 339 S CB 1.046 64.225 63.200 -0.035 0.000 1.001 339 S HN 0.549 nan 8.310 nan 0.000 0.480 340 Y N 2.194 122.586 120.300 0.153 0.000 2.326 340 Y HA 0.507 5.056 4.550 -0.000 0.000 0.337 340 Y C -0.333 175.393 175.900 -0.290 0.000 1.023 340 Y CA -0.928 57.118 58.100 -0.090 0.000 1.143 340 Y CB 0.638 39.061 38.460 -0.062 0.000 1.183 340 Y HN 0.368 nan 8.280 nan 0.000 0.485 341 L N 4.432 125.549 121.223 -0.177 0.000 2.305 341 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 341 L C -0.573 176.290 176.870 -0.013 0.000 1.013 341 L CA -1.059 53.707 54.840 -0.124 0.000 0.819 341 L CB 1.427 43.396 42.059 -0.150 0.000 1.227 341 L HN 0.438 nan 8.230 nan 0.000 0.417 342 K N 2.617 122.967 120.400 -0.082 0.000 2.413 342 K HA 0.805 5.125 4.320 -0.000 0.000 0.257 342 K C -0.441 176.027 176.600 -0.220 0.000 0.946 342 K CA -0.325 55.926 56.287 -0.060 0.000 0.823 342 K CB 1.591 34.094 32.500 0.006 0.000 1.109 342 K HN 0.657 nan 8.250 nan 0.000 0.427 343 A N 5.458 127.896 122.820 -0.636 0.000 2.466 343 A HA 0.313 4.633 4.320 -0.000 0.000 0.238 343 A C -2.085 175.214 177.584 -0.474 0.000 1.074 343 A CA -0.819 50.425 52.037 -1.321 0.000 0.774 343 A CB -0.573 17.429 19.000 -1.664 0.000 1.015 343 A HN 0.655 nan 8.150 nan 0.000 0.498 344 P HA 0.007 nan 4.420 nan 0.000 0.267 344 P C 1.264 178.599 177.300 0.059 0.000 1.200 344 P CA 0.826 63.947 63.100 0.035 0.000 0.772 344 P CB 0.336 32.181 31.700 0.243 0.000 0.855 345 G N 3.151 112.057 108.800 0.176 0.000 2.649 345 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.220 345 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.220 345 G C 1.335 176.492 174.900 0.430 0.000 1.189 345 G CA 1.403 46.658 45.100 0.258 0.000 0.777 345 G HN 0.731 nan 8.290 nan 0.000 0.602 346 Y N -0.106 120.317 120.300 0.205 0.000 2.465 346 Y HA 0.029 4.579 4.550 -0.000 0.000 0.289 346 Y C 2.278 178.260 175.900 0.136 0.000 1.150 346 Y CA 1.539 59.769 58.100 0.217 0.000 1.293 346 Y CB -0.063 38.483 38.460 0.144 0.000 0.977 346 Y HN 0.338 nan 8.280 nan 0.000 0.556 347 Q N 0.555 120.118 119.800 -0.395 0.000 2.194 347 Q HA 0.012 4.352 4.340 -0.000 0.000 0.214 347 Q C 0.696 176.531 176.000 -0.274 0.000 0.838 347 Q CA 0.396 55.943 55.803 -0.427 0.000 0.972 347 Q CB 0.293 28.651 28.738 -0.633 0.000 1.131 347 Q HN 0.669 nan 8.270 nan 0.000 0.498 348 D N -0.565 119.749 120.400 -0.143 0.000 2.363 348 D HA -0.017 4.623 4.640 -0.000 0.000 0.220 348 D C 1.324 177.630 176.300 0.011 0.000 0.994 348 D CA 1.067 55.010 54.000 -0.096 0.000 0.890 348 D CB 0.049 40.861 40.800 0.021 0.000 0.906 348 D HN 0.243 nan 8.370 nan 0.000 0.530 349 G N -0.437 108.392 108.800 0.049 0.000 2.217 349 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.246 349 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.246 349 G C 0.176 175.122 174.900 0.076 0.000 0.990 349 G CA 0.182 45.361 45.100 0.132 0.000 0.627 349 G HN 0.698 nan 8.290 nan 0.000 0.522 350 H N 2.041 121.023 119.070 -0.146 0.000 2.964 350 H HA 0.429 4.985 4.556 -0.000 0.000 0.328 350 H C 1.338 176.462 175.328 -0.339 0.000 1.030 350 H CA 0.961 56.851 56.048 -0.264 0.000 1.445 350 H CB 0.477 30.020 29.762 -0.364 0.000 1.449 350 H HN 0.474 nan 8.280 nan 0.000 0.581 351 G N 2.060 110.855 108.800 -0.008 0.000 2.690 351 G HA2 0.310 4.270 3.960 -0.000 0.000 0.239 351 G HA3 0.310 4.270 3.960 -0.000 0.000 0.239 351 G C 0.985 175.981 174.900 0.159 0.000 1.233 351 G CA 0.267 45.419 45.100 0.087 0.000 0.847 351 G HN 1.030 nan 8.290 nan 0.000 0.588 352 G N 0.143 109.028 108.800 0.141 0.000 3.444 352 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.222 352 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.222 352 G C 1.220 176.247 174.900 0.211 0.000 1.358 352 G CA 1.642 46.853 45.100 0.185 0.000 0.880 352 G HN 1.787 nan 8.290 nan 0.000 0.555 353 Y N -0.034 120.377 120.300 0.186 0.000 2.444 353 Y HA 0.762 5.312 4.550 -0.000 0.000 0.252 353 Y C 1.305 177.325 175.900 0.200 0.000 1.091 353 Y CA 0.590 58.785 58.100 0.157 0.000 1.276 353 Y CB -0.142 38.368 38.460 0.083 0.000 1.170 353 Y HN 0.621 nan 8.280 nan 0.000 0.517 354 S N 0.704 116.310 115.700 -0.157 0.000 2.806 354 S HA 0.755 5.225 4.470 -0.000 0.000 0.315 354 S C -1.210 173.450 174.600 0.100 0.000 1.127 354 S CA -0.255 57.953 58.200 0.014 0.000 0.918 354 S CB 1.295 64.446 63.200 -0.081 0.000 1.240 354 S HN 0.700 nan 8.310 nan 0.000 0.552 355 N N -0.826 117.961 118.700 0.144 0.000 3.185 355 N HA 0.422 5.162 4.740 -0.000 0.000 0.238 355 N C -2.820 172.764 175.510 0.124 0.000 1.451 355 N CA -1.102 52.070 53.050 0.203 0.000 0.888 355 N CB 0.902 39.647 38.487 0.431 0.000 1.413 355 N HN 0.219 nan 8.380 nan 0.000 0.511 356 P HA -0.047 nan 4.420 nan 0.000 0.222 356 P C 0.885 178.137 177.300 -0.079 0.000 1.147 356 P CA 0.932 63.964 63.100 -0.113 0.000 0.790 356 P CB 0.364 31.742 31.700 -0.537 0.000 0.780 357 L N -0.327 120.885 121.223 -0.018 0.000 2.068 357 L HA -0.052 4.288 4.340 -0.000 0.000 0.204 357 L C 2.314 179.171 176.870 -0.022 0.000 1.076 357 L CA 1.352 56.170 54.840 -0.037 0.000 0.753 357 L CB -1.013 41.019 42.059 -0.045 0.000 0.910 357 L HN -0.080 nan 8.230 nan 0.000 0.439 358 D N 0.162 120.555 120.400 -0.012 0.000 2.117 358 D HA -0.240 4.400 4.640 -0.000 0.000 0.197 358 D C 1.961 178.265 176.300 0.007 0.000 0.987 358 D CA 1.388 55.376 54.000 -0.019 0.000 0.829 358 D CB 0.067 40.850 40.800 -0.027 0.000 0.961 358 D HN 0.403 nan 8.370 nan 0.000 0.460 359 E N 0.932 121.164 120.200 0.053 0.000 2.058 359 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 359 E C 2.082 178.803 176.600 0.202 0.000 0.997 359 E CA 1.138 57.630 56.400 0.154 0.000 0.801 359 E CB -0.030 29.782 29.700 0.187 0.000 0.746 359 E HN 0.235 nan 8.360 nan 0.000 0.450 360 Q N 0.413 120.270 119.800 0.096 0.000 2.124 360 Q HA -0.251 4.089 4.340 -0.000 0.000 0.202 360 Q C 2.077 178.121 176.000 0.075 0.000 0.977 360 Q CA 1.850 57.693 55.803 0.066 0.000 0.850 360 Q CB -0.048 28.677 28.738 -0.021 0.000 0.901 360 Q HN 0.348 nan 8.270 nan 0.000 0.429 361 E N 0.074 120.315 120.200 0.069 0.000 2.058 361 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 361 E C 1.660 178.329 176.600 0.114 0.000 0.997 361 E CA 1.478 57.919 56.400 0.069 0.000 0.801 361 E CB -0.466 29.269 29.700 0.058 0.000 0.746 361 E HN 0.652 nan 8.360 nan 0.000 0.450 362 W N 1.333 122.618 121.300 -0.026 0.000 2.355 362 W HA -0.225 4.435 4.660 -0.000 0.000 0.309 362 W C 1.531 178.079 176.519 0.049 0.000 1.206 362 W CA 1.032 58.376 57.345 -0.002 0.000 1.284 362 W CB -0.514 28.922 29.460 -0.041 0.000 1.145 362 W HN 0.132 nan 8.180 nan 0.000 0.502 363 L N 0.716 121.889 121.223 -0.084 0.000 1.994 363 L HA -0.272 4.068 4.340 -0.000 0.000 0.208 363 L C 2.618 179.440 176.870 -0.080 0.000 1.071 363 L CA 1.698 56.444 54.840 -0.157 0.000 0.745 363 L CB -1.412 40.728 42.059 0.135 0.000 0.892 363 L HN -0.186 nan 8.230 nan 0.000 0.431 364 V N 0.015 119.951 119.914 0.036 0.000 2.295 364 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 364 V C 2.267 178.340 176.094 -0.036 0.000 1.049 364 V CA 1.825 64.161 62.300 0.060 0.000 1.024 364 V CB -0.724 31.122 31.823 0.038 0.000 0.648 364 V HN 0.474 nan 8.190 nan 0.000 0.447 365 N N 0.129 118.777 118.700 -0.086 0.000 2.120 365 N HA -0.142 4.597 4.740 -0.000 0.000 0.188 365 N C 1.930 177.296 175.510 -0.240 0.000 1.024 365 N CA 2.061 55.020 53.050 -0.152 0.000 0.852 365 N CB -0.550 37.855 38.487 -0.137 0.000 1.003 365 N HN 0.475 nan 8.380 nan 0.000 0.424 366 T N 1.650 116.037 114.554 -0.278 0.000 2.737 366 T HA 0.058 4.408 4.350 -0.000 0.000 0.265 366 T C 2.131 176.812 174.700 -0.031 0.000 1.038 366 T CA 0.660 62.666 62.100 -0.158 0.000 1.144 366 T CB -0.102 68.415 68.868 -0.585 0.000 0.866 366 T HN 0.163 nan 8.240 nan 0.000 0.434 367 I N 1.327 121.813 120.570 -0.139 0.000 2.353 367 I HA -0.131 4.038 4.170 -0.000 0.000 0.248 367 I C 2.409 178.457 176.117 -0.115 0.000 1.119 367 I CA 0.696 61.913 61.300 -0.137 0.000 1.417 367 I CB -0.369 37.487 38.000 -0.241 0.000 1.078 367 I HN 0.138 nan 8.210 nan 0.000 0.421 368 N N 1.049 119.701 118.700 -0.080 0.000 2.069 368 N HA -0.212 4.528 4.740 -0.000 0.000 0.191 368 N C 1.930 177.377 175.510 -0.105 0.000 1.031 368 N CA 1.376 54.371 53.050 -0.090 0.000 0.852 368 N CB -0.371 38.077 38.487 -0.065 0.000 1.018 368 N HN 0.260 nan 8.380 nan 0.000 0.423 369 R N 0.397 120.831 120.500 -0.110 0.000 2.081 369 R HA 0.055 4.395 4.340 -0.000 0.000 0.235 369 R C 2.191 178.524 176.300 0.054 0.000 1.131 369 R CA 0.895 56.933 56.100 -0.103 0.000 0.960 369 R CB -0.167 29.887 30.300 -0.411 0.000 0.856 369 R HN 0.213 nan 8.270 nan 0.000 0.436 370 I N 0.504 121.162 120.570 0.147 0.000 2.252 370 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 370 I C 2.315 178.474 176.117 0.069 0.000 1.102 370 I CA 1.328 62.734 61.300 0.176 0.000 1.385 370 I CB -0.298 37.836 38.000 0.223 0.000 1.064 370 I HN 0.267 nan 8.210 nan 0.000 0.414 371 Q N 0.300 119.993 119.800 -0.177 0.000 2.181 371 Q HA -0.232 4.108 4.340 -0.000 0.000 0.205 371 Q C 2.160 177.963 176.000 -0.329 0.000 0.980 371 Q CA 1.140 56.573 55.803 -0.617 0.000 0.862 371 Q CB -0.094 28.091 28.738 -0.921 0.000 0.905 371 Q HN 0.530 nan 8.270 nan 0.000 0.429 372 Q N 0.347 120.063 119.800 -0.139 0.000 2.311 372 Q HA -0.011 4.329 4.340 -0.000 0.000 0.203 372 Q C 1.154 177.206 176.000 0.087 0.000 0.954 372 Q CA 0.534 56.314 55.803 -0.038 0.000 0.885 372 Q CB 0.029 28.753 28.738 -0.023 0.000 0.963 372 Q HN 0.301 nan 8.270 nan 0.000 0.471 373 S N 0.307 116.046 115.700 0.065 0.000 2.589 373 S HA 0.121 4.591 4.470 -0.000 0.000 0.265 373 S C 0.885 175.529 174.600 0.073 0.000 1.342 373 S CA -0.425 57.789 58.200 0.023 0.000 1.005 373 S CB 1.031 64.219 63.200 -0.020 0.000 0.909 373 S HN 0.062 nan 8.310 nan 0.000 0.555 374 K N 0.134 120.477 120.400 -0.096 0.000 2.439 374 K HA -0.002 4.318 4.320 -0.000 0.000 0.197 374 K C 0.409 177.009 176.600 -0.000 0.000 1.041 374 K CA 0.986 57.202 56.287 -0.119 0.000 0.970 374 K CB -0.110 32.231 32.500 -0.265 0.000 0.773 374 K HN 0.604 nan 8.250 nan 0.000 0.479 375 D N -0.168 120.231 120.400 -0.002 0.000 2.369 375 D HA -0.069 4.571 4.640 -0.000 0.000 0.211 375 D C 1.129 177.500 176.300 0.118 0.000 1.077 375 D CA -0.098 53.897 54.000 -0.010 0.000 0.842 375 D CB 0.086 40.709 40.800 -0.294 0.000 0.947 375 D HN 0.355 nan 8.370 nan 0.000 0.509 376 W N 2.527 123.834 121.300 0.013 0.000 2.325 376 W HA -0.241 4.419 4.660 -0.000 0.000 0.299 376 W C 0.358 176.941 176.519 0.107 0.000 1.215 376 W CA 1.336 58.717 57.345 0.060 0.000 1.244 376 W CB 0.099 29.595 29.460 0.059 0.000 1.140 376 W HN -0.078 nan 8.180 nan 0.000 0.523 377 D N 0.185 120.560 120.400 -0.041 0.000 2.309 377 D HA -0.166 4.474 4.640 -0.000 0.000 0.212 377 D C 1.948 178.229 176.300 -0.032 0.000 0.968 377 D CA 1.793 55.696 54.000 -0.161 0.000 0.882 377 D CB -0.289 40.512 40.800 0.002 0.000 0.918 377 D HN 0.124 nan 8.370 nan 0.000 0.503 378 S N -1.611 114.137 115.700 0.079 0.000 2.749 378 S HA 0.205 4.675 4.470 -0.000 0.000 0.246 378 S C 0.375 175.108 174.600 0.221 0.000 1.023 378 S CA -0.655 57.657 58.200 0.187 0.000 1.012 378 S CB 0.331 63.649 63.200 0.197 0.000 0.942 378 S HN -0.134 nan 8.310 nan 0.000 0.531 379 T N 2.711 117.338 114.554 0.121 0.000 2.902 379 T HA 0.758 5.108 4.350 -0.000 0.000 0.283 379 T C -0.364 174.414 174.700 0.130 0.000 1.009 379 T CA -0.341 61.869 62.100 0.183 0.000 1.051 379 T CB 1.560 70.553 68.868 0.209 0.000 0.999 379 T HN 0.503 nan 8.240 nan 0.000 0.474 380 A N 3.184 126.138 122.820 0.223 0.000 2.319 380 A HA 0.742 5.062 4.320 -0.000 0.000 0.310 380 A C -0.510 177.166 177.584 0.154 0.000 1.152 380 A CA -0.702 51.469 52.037 0.223 0.000 0.783 380 A CB 0.389 19.602 19.000 0.354 0.000 1.184 380 A HN 0.840 nan 8.150 nan 0.000 0.474 381 I N 3.217 123.835 120.570 0.081 0.000 2.336 381 I HA 0.346 4.516 4.170 -0.000 0.000 0.292 381 I C -0.535 175.547 176.117 -0.059 0.000 0.991 381 I CA -0.189 61.111 61.300 0.001 0.000 1.227 381 I CB 1.338 39.309 38.000 -0.050 0.000 1.366 381 I HN 0.487 nan 8.210 nan 0.000 0.466 382 I N 7.234 127.776 120.570 -0.046 0.000 2.362 382 I HA 0.391 4.561 4.170 -0.000 0.000 0.289 382 I C -0.273 175.835 176.117 -0.014 0.000 0.994 382 I CA -0.475 60.798 61.300 -0.045 0.000 1.158 382 I CB 1.474 39.461 38.000 -0.022 0.000 1.315 382 I HN 0.395 nan 8.210 nan 0.000 0.451 383 I N 7.526 128.096 120.570 -0.001 0.000 2.321 383 I HA 0.475 4.645 4.170 -0.000 0.000 0.291 383 I C -0.328 175.871 176.117 0.137 0.000 0.998 383 I CA -0.261 61.075 61.300 0.060 0.000 1.227 383 I CB 1.399 39.456 38.000 0.095 0.000 1.368 383 I HN 0.501 nan 8.210 nan 0.000 0.466 384 I N 5.448 126.115 120.570 0.162 0.000 2.994 384 I HA 0.435 4.605 4.170 -0.000 0.000 0.306 384 I C -1.445 174.779 176.117 0.177 0.000 1.195 384 I CA -0.536 60.929 61.300 0.275 0.000 1.001 384 I CB 2.434 40.603 38.000 0.282 0.000 1.244 384 I HN 0.297 nan 8.210 nan 0.000 0.437 385 Y N 2.965 123.339 120.300 0.123 0.000 2.453 385 Y HA 0.281 4.831 4.550 -0.000 0.000 0.326 385 Y C 0.918 176.729 175.900 -0.149 0.000 1.186 385 Y CA -0.524 57.526 58.100 -0.082 0.000 1.200 385 Y CB 0.912 39.322 38.460 -0.082 0.000 1.247 385 Y HN 0.606 nan 8.280 nan 0.000 0.482 386 D N -0.864 119.304 120.400 -0.387 0.000 2.240 386 D HA -0.010 4.630 4.640 -0.000 0.000 0.206 386 D C -0.280 176.021 176.300 0.002 0.000 0.963 386 D CA 0.917 54.728 54.000 -0.315 0.000 0.863 386 D CB 0.108 40.523 40.800 -0.642 0.000 0.973 386 D HN 0.686 nan 8.370 nan 0.000 0.501 387 D N -1.732 118.657 120.400 -0.017 0.000 2.692 387 D HA 0.144 4.784 4.640 -0.000 0.000 0.290 387 D C -0.115 176.169 176.300 -0.026 0.000 1.281 387 D CA -0.289 53.721 54.000 0.017 0.000 0.804 387 D CB 0.779 41.600 40.800 0.035 0.000 1.331 387 D HN -0.169 nan 8.370 nan 0.000 0.432 388 S N -0.505 115.193 115.700 -0.003 0.000 2.556 388 S HA 0.186 4.656 4.470 -0.000 0.000 0.216 388 S C 0.704 175.266 174.600 -0.064 0.000 0.970 388 S CA 0.693 58.882 58.200 -0.018 0.000 0.912 388 S CB -0.380 62.878 63.200 0.096 0.000 0.790 388 S HN 0.642 nan 8.310 nan 0.000 0.504 389 D N 0.686 120.979 120.400 -0.178 0.000 2.880 389 D HA -0.185 4.454 4.640 -0.000 0.000 0.198 389 D C 1.046 177.432 176.300 0.144 0.000 1.059 389 D CA 2.107 55.946 54.000 -0.269 0.000 1.019 389 D CB -1.512 39.150 40.800 -0.229 0.000 1.112 389 D HN 1.157 nan 8.370 nan 0.000 0.424 390 G N -0.723 108.201 108.800 0.206 0.000 2.141 390 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.242 390 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.242 390 G C -0.134 174.995 174.900 0.382 0.000 0.982 390 G CA 0.301 45.589 45.100 0.314 0.000 0.662 390 G HN 0.501 nan 8.290 nan 0.000 0.527 391 D N -0.720 119.835 120.400 0.258 0.000 2.357 391 D HA 0.317 4.957 4.640 -0.000 0.000 0.242 391 D C 0.682 177.128 176.300 0.243 0.000 1.153 391 D CA -0.232 53.902 54.000 0.224 0.000 0.918 391 D CB 0.427 41.268 40.800 0.069 0.000 1.181 391 D HN 0.180 nan 8.370 nan 0.000 0.435 392 Y N 1.187 121.447 120.300 -0.067 0.000 2.717 392 Y HA 0.079 4.629 4.550 -0.000 0.000 0.330 392 Y C -0.090 175.649 175.900 -0.268 0.000 1.217 392 Y CA 0.474 58.255 58.100 -0.533 0.000 1.506 392 Y CB 0.318 38.501 38.460 -0.461 0.000 1.268 392 Y HN 0.272 nan 8.280 nan 0.000 0.561 393 D N 3.577 123.322 120.400 -1.091 0.000 2.859 393 D HA 0.146 4.786 4.640 -0.000 0.000 0.223 393 D C 0.249 175.949 176.300 -1.000 0.000 1.218 393 D CA -0.510 53.005 54.000 -0.808 0.000 0.850 393 D CB 0.691 41.357 40.800 -0.223 0.000 1.656 393 D HN 0.678 nan 8.370 nan 0.000 0.484 394 H N 1.740 120.366 119.070 -0.740 0.000 2.548 394 H HA 0.179 4.735 4.556 -0.000 0.000 0.268 394 H C -0.163 175.068 175.328 -0.161 0.000 0.975 394 H CA 0.040 55.844 56.048 -0.406 0.000 1.195 394 H CB -0.154 29.529 29.762 -0.132 0.000 1.397 394 H HN 0.025 nan 8.280 nan 0.000 0.572 395 V N 2.768 122.378 119.914 -0.506 0.000 2.408 395 V HA -0.042 4.078 4.120 -0.000 0.000 0.267 395 V C -0.436 175.603 176.094 -0.092 0.000 1.047 395 V CA -0.635 61.515 62.300 -0.249 0.000 0.937 395 V CB 0.188 31.913 31.823 -0.162 0.000 0.999 395 V HN 0.280 nan 8.190 nan 0.000 0.472 396 Y N 5.142 125.330 120.300 -0.186 0.000 2.616 396 Y HA 0.245 4.795 4.550 0.000 0.000 0.350 396 Y C 1.015 176.889 175.900 -0.045 0.000 1.119 396 Y CA -0.685 57.308 58.100 -0.178 0.000 1.467 396 Y CB -0.249 38.156 38.460 -0.091 0.000 1.287 396 Y HN 0.731 nan 8.280 nan 0.000 0.504 397 S N 8.586 124.235 115.700 -0.084 0.000 2.552 397 S HA 0.080 4.549 4.470 -0.000 0.000 0.289 397 S C -2.133 172.167 174.600 -0.500 0.000 1.304 397 S CA -0.951 56.984 58.200 -0.441 0.000 1.063 397 S CB -0.035 62.955 63.200 -0.350 0.000 0.848 397 S HN 0.560 nan 8.310 nan 0.000 0.499 398 P HA 0.170 nan 4.420 nan 0.000 0.272 398 P C -0.561 176.538 177.300 -0.335 0.000 1.240 398 P CA -0.469 62.429 63.100 -0.337 0.000 0.791 398 P CB 0.549 32.116 31.700 -0.222 0.000 0.978 399 K N 0.390 120.602 120.400 -0.313 0.000 2.295 399 K HA 0.261 4.581 4.320 -0.000 0.000 0.270 399 K C 0.920 177.167 176.600 -0.589 0.000 1.011 399 K CA -0.288 55.778 56.287 -0.368 0.000 0.953 399 K CB 0.287 32.634 32.500 -0.254 0.000 0.956 399 K HN 0.526 nan 8.250 nan 0.000 0.477 400 S N 1.074 116.306 115.700 -0.780 0.000 2.693 400 S HA 0.084 4.554 4.470 -0.000 0.000 0.276 400 S C 0.839 175.150 174.600 -0.482 0.000 1.192 400 S CA -0.722 56.956 58.200 -0.870 0.000 0.994 400 S CB 1.337 64.025 63.200 -0.853 0.000 1.012 400 S HN 0.475 nan 8.310 nan 0.000 0.550 401 Q N -0.082 119.402 119.800 -0.527 0.000 2.437 401 Q HA 0.065 4.404 4.340 -0.000 0.000 0.210 401 Q C 0.550 176.113 176.000 -0.729 0.000 0.972 401 Q CA 1.205 56.561 55.803 -0.744 0.000 0.903 401 Q CB -0.560 27.360 28.738 -1.363 0.000 0.967 401 Q HN 0.844 nan 8.270 nan 0.000 0.486 402 F N -0.048 119.748 119.950 -0.256 0.000 2.695 402 F HA 0.069 4.596 4.527 -0.000 0.000 0.303 402 F C 2.046 177.755 175.800 -0.151 0.000 1.091 402 F CA 0.229 58.126 58.000 -0.172 0.000 1.300 402 F CB -0.009 38.909 39.000 -0.136 0.000 1.071 402 F HN -0.018 nan 8.300 nan 0.000 0.578 403 S N -1.018 114.648 115.700 -0.057 0.000 2.442 403 S HA -0.174 4.296 4.470 -0.000 0.000 0.236 403 S C 1.359 175.949 174.600 -0.016 0.000 1.007 403 S CA 1.358 59.532 58.200 -0.043 0.000 0.965 403 S CB -0.277 62.856 63.200 -0.112 0.000 0.773 403 S HN 0.265 nan 8.310 nan 0.000 0.504 404 D N 1.024 121.404 120.400 -0.034 0.000 2.349 404 D HA 0.271 4.911 4.640 -0.000 0.000 0.215 404 D C 0.125 176.437 176.300 0.021 0.000 1.016 404 D CA 0.201 54.192 54.000 -0.014 0.000 0.870 404 D CB -0.004 40.773 40.800 -0.038 0.000 0.917 404 D HN 0.465 nan 8.370 nan 0.000 0.524 405 I N 1.438 122.032 120.570 0.039 0.000 2.325 405 I HA 0.050 4.220 4.170 -0.000 0.000 0.291 405 I C 0.474 176.627 176.117 0.060 0.000 1.019 405 I CA -0.706 60.628 61.300 0.056 0.000 1.302 405 I CB 0.922 38.958 38.000 0.060 0.000 1.401 405 I HN -0.469 nan 8.210 nan 0.000 0.485 406 K N 4.257 124.711 120.400 0.090 0.000 2.511 406 K HA 0.210 4.530 4.320 -0.000 0.000 0.280 406 K C 0.986 177.656 176.600 0.116 0.000 1.008 406 K CA 1.303 57.660 56.287 0.117 0.000 1.050 406 K CB 0.093 32.661 32.500 0.113 0.000 0.889 406 K HN 0.859 nan 8.250 nan 0.000 0.484 407 G N 2.977 111.837 108.800 0.100 0.000 2.195 407 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.246 407 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.246 407 G C 0.511 175.402 174.900 -0.015 0.000 0.984 407 G CA 0.219 45.296 45.100 -0.039 0.000 0.633 407 G HN 0.578 nan 8.290 nan 0.000 0.525 408 R N -0.264 120.261 120.500 0.042 0.000 2.629 408 R HA 0.261 4.601 4.340 -0.000 0.000 0.386 408 R C 0.570 176.959 176.300 0.149 0.000 1.071 408 R CA -0.436 55.671 56.100 0.012 0.000 1.104 408 R CB 0.538 30.711 30.300 -0.212 0.000 1.370 408 R HN 0.331 nan 8.270 nan 0.000 0.574 409 Q N 1.319 121.286 119.800 0.278 0.000 2.283 409 Q HA 0.237 4.577 4.340 -0.000 0.000 0.301 409 Q C 0.123 176.278 176.000 0.258 0.000 1.063 409 Q CA 0.967 56.888 55.803 0.197 0.000 0.952 409 Q CB 0.805 29.564 28.738 0.036 0.000 1.166 409 Q HN 0.435 nan 8.270 nan 0.000 0.381 410 G N 2.028 110.904 108.800 0.125 0.000 2.349 410 G HA2 0.251 4.211 3.960 -0.000 0.000 0.294 410 G HA3 0.251 4.211 3.960 -0.000 0.000 0.294 410 G C -1.880 172.867 174.900 -0.256 0.000 1.380 410 G CA -0.936 44.115 45.100 -0.083 0.000 0.811 410 G HN 0.378 nan 8.290 nan 0.000 0.519 411 Y N 0.264 120.423 120.300 -0.236 0.000 2.357 411 Y HA 0.470 5.019 4.550 -0.000 0.000 0.340 411 Y C 1.503 176.997 175.900 -0.677 0.000 1.260 411 Y CA 0.916 58.827 58.100 -0.315 0.000 1.425 411 Y CB 0.713 39.001 38.460 -0.288 0.000 1.326 411 Y HN 0.723 nan 8.280 nan 0.000 0.580 412 G N 1.366 109.878 108.800 -0.480 0.000 2.510 412 G HA2 0.409 4.369 3.960 -0.000 0.000 0.280 412 G HA3 0.409 4.369 3.960 -0.000 0.000 0.280 412 G C -2.709 172.000 174.900 -0.317 0.000 1.386 412 G CA -1.622 42.846 45.100 -1.054 0.000 1.047 412 G HN 0.368 nan 8.290 nan 0.000 0.527 413 P HA 0.113 nan 4.420 nan 0.000 0.268 413 P C -0.069 177.386 177.300 0.258 0.000 1.208 413 P CA -0.093 63.203 63.100 0.327 0.000 0.777 413 P CB 0.481 32.374 31.700 0.321 0.000 0.875 414 R N 2.285 122.915 120.500 0.216 0.000 2.543 414 R HA 0.377 4.716 4.340 -0.000 0.000 0.277 414 R C -0.605 175.651 176.300 -0.073 0.000 1.074 414 R CA -0.123 55.866 56.100 -0.186 0.000 1.076 414 R CB -0.108 29.960 30.300 -0.388 0.000 0.993 414 R HN 0.443 nan 8.270 nan 0.000 0.459 415 L N 5.163 126.320 121.223 -0.111 0.000 2.333 415 L HA 0.549 4.888 4.340 -0.000 0.000 0.263 415 L C -2.248 174.687 176.870 0.108 0.000 1.014 415 L CA -2.789 52.057 54.840 0.009 0.000 0.820 415 L CB 2.295 44.391 42.059 0.061 0.000 1.352 415 L HN 0.552 nan 8.230 nan 0.000 0.421 416 P HA 0.243 nan 4.420 nan 0.000 0.271 416 P C -0.990 176.432 177.300 0.202 0.000 1.218 416 P CA -0.234 62.960 63.100 0.156 0.000 0.780 416 P CB 0.735 32.499 31.700 0.107 0.000 0.901 417 M N 3.763 123.413 119.600 0.083 0.000 2.255 417 M HA 0.467 4.947 4.480 -0.000 0.000 0.275 417 M C -2.445 173.825 176.300 -0.050 0.000 1.050 417 M CA -0.293 55.035 55.300 0.048 0.000 0.978 417 M CB 0.983 33.579 32.600 -0.007 0.000 1.761 417 M HN -0.001 nan 8.290 nan 0.000 0.479 418 L N 4.725 125.937 121.223 -0.020 0.000 2.370 418 L HA 0.902 5.242 4.340 -0.000 0.000 0.266 418 L C -1.052 175.758 176.870 -0.100 0.000 1.002 418 L CA -0.788 54.012 54.840 -0.066 0.000 0.818 418 L CB 2.587 44.643 42.059 -0.005 0.000 1.325 418 L HN 0.530 nan 8.230 nan 0.000 0.418 419 V N 3.340 123.170 119.914 -0.140 0.000 2.444 419 V HA 0.517 4.637 4.120 -0.000 0.000 0.294 419 V C -0.452 175.553 176.094 -0.148 0.000 1.022 419 V CA -0.339 61.836 62.300 -0.209 0.000 0.850 419 V CB 1.745 33.303 31.823 -0.441 0.000 0.992 419 V HN 0.502 nan 8.190 nan 0.000 0.426 420 I N 4.221 124.666 120.570 -0.209 0.000 2.382 420 I HA 0.686 4.856 4.170 -0.000 0.000 0.286 420 I C -0.132 175.911 176.117 -0.124 0.000 1.002 420 I CA 0.093 61.128 61.300 -0.441 0.000 1.135 420 I CB 1.774 39.333 38.000 -0.736 0.000 1.288 420 I HN 0.660 nan 8.210 nan 0.000 0.448 421 S N 6.663 122.392 115.700 0.049 0.000 2.565 421 S HA 0.445 4.915 4.470 -0.000 0.000 0.274 421 S C -2.439 172.137 174.600 -0.040 0.000 1.144 421 S CA -0.910 57.258 58.200 -0.052 0.000 0.849 421 S CB 1.810 65.132 63.200 0.203 0.000 1.103 421 S HN 0.251 nan 8.310 nan 0.000 0.455 422 P HA 0.054 nan 4.420 nan 0.000 0.225 422 P C 0.301 177.414 177.300 -0.313 0.000 1.148 422 P CA 1.037 63.914 63.100 -0.371 0.000 0.779 422 P CB -0.167 31.093 31.700 -0.733 0.000 0.780 423 Y N -0.776 119.547 120.300 0.039 0.000 2.457 423 Y HA 0.390 4.939 4.550 -0.000 0.000 0.263 423 Y C 1.431 177.409 175.900 0.131 0.000 1.164 423 Y CA -0.553 57.611 58.100 0.107 0.000 1.274 423 Y CB -0.598 37.974 38.460 0.188 0.000 1.097 423 Y HN -0.152 nan 8.280 nan 0.000 0.523 424 A N 1.178 124.141 122.820 0.238 0.000 2.425 424 A HA 0.180 4.500 4.320 -0.000 0.000 0.249 424 A C 0.329 177.917 177.584 0.007 0.000 1.084 424 A CA -0.569 51.509 52.037 0.068 0.000 0.781 424 A CB 0.173 19.267 19.000 0.157 0.000 1.019 424 A HN 0.300 nan 8.150 nan 0.000 0.490 425 K N 0.725 121.045 120.400 -0.132 0.000 2.436 425 K HA 0.335 4.655 4.320 -0.000 0.000 0.275 425 K C 0.189 176.773 176.600 -0.026 0.000 0.999 425 K CA 0.451 56.629 56.287 -0.181 0.000 0.980 425 K CB 0.638 32.821 32.500 -0.529 0.000 0.919 425 K HN 0.749 nan 8.250 nan 0.000 0.484 426 A N 2.754 125.561 122.820 -0.021 0.000 2.305 426 A HA 0.252 4.572 4.320 -0.000 0.000 0.322 426 A C 0.227 177.842 177.584 0.051 0.000 1.187 426 A CA -0.507 51.517 52.037 -0.022 0.000 0.825 426 A CB 0.529 19.475 19.000 -0.089 0.000 1.164 426 A HN 0.864 nan 8.150 nan 0.000 0.498 427 N N -0.520 118.218 118.700 0.062 0.000 2.714 427 N HA -0.234 4.506 4.740 -0.000 0.000 0.252 427 N C -1.131 174.469 175.510 0.149 0.000 1.014 427 N CA 1.233 54.350 53.050 0.112 0.000 0.735 427 N CB -1.484 37.050 38.487 0.079 0.000 0.924 427 N HN 0.741 nan 8.380 nan 0.000 0.540 428 Y N -0.980 119.310 120.300 -0.017 0.000 2.409 428 Y HA 0.584 5.134 4.550 -0.000 0.000 0.343 428 Y C -0.595 175.236 175.900 -0.116 0.000 0.973 428 Y CA -0.867 57.196 58.100 -0.062 0.000 1.064 428 Y CB 1.481 39.892 38.460 -0.080 0.000 1.207 428 Y HN -0.062 nan 8.280 nan 0.000 0.452 429 V N 5.804 125.297 119.914 -0.702 0.000 2.328 429 V HA 0.193 4.313 4.120 -0.000 0.000 0.278 429 V C -0.678 174.771 176.094 -1.075 0.000 1.021 429 V CA -0.783 61.115 62.300 -0.670 0.000 0.838 429 V CB 1.145 32.697 31.823 -0.452 0.000 0.999 429 V HN 0.738 nan 8.190 nan 0.000 0.447 430 D N 2.889 122.918 120.400 -0.618 0.000 2.312 430 D HA 0.212 4.852 4.640 -0.000 0.000 0.252 430 D C 0.752 176.777 176.300 -0.458 0.000 1.150 430 D CA -0.059 53.686 54.000 -0.425 0.000 0.870 430 D CB 0.767 41.507 40.800 -0.099 0.000 1.153 430 D HN 0.550 nan 8.370 nan 0.000 0.457 431 H N 1.766 120.751 119.070 -0.142 0.000 2.586 431 H HA 0.190 4.746 4.556 -0.000 0.000 0.273 431 H C 0.233 175.515 175.328 -0.076 0.000 0.997 431 H CA -0.199 55.771 56.048 -0.129 0.000 1.177 431 H CB 0.015 29.709 29.762 -0.114 0.000 1.471 431 H HN 0.218 nan 8.280 nan 0.000 0.538 432 S N 1.902 117.615 115.700 0.022 0.000 2.558 432 S HA -0.045 4.425 4.470 -0.000 0.000 0.293 432 S C 0.507 175.119 174.600 0.020 0.000 1.292 432 S CA -0.383 57.832 58.200 0.025 0.000 1.063 432 S CB 0.683 63.891 63.200 0.012 0.000 0.831 432 S HN 0.203 nan 8.310 nan 0.000 0.499 433 L N 5.483 126.738 121.223 0.052 0.000 2.485 433 L HA 0.320 4.660 4.340 -0.000 0.000 0.279 433 L C -0.710 176.187 176.870 0.046 0.000 1.124 433 L CA 0.710 55.601 54.840 0.084 0.000 0.888 433 L CB -0.755 41.371 42.059 0.112 0.000 1.217 433 L HN 0.511 nan 8.230 nan 0.000 0.464 434 L N 4.947 126.175 121.223 0.008 0.000 2.319 434 L HA 0.632 4.972 4.340 -0.000 0.000 0.267 434 L C -0.254 176.551 176.870 -0.108 0.000 1.011 434 L CA -0.906 53.912 54.840 -0.036 0.000 0.818 434 L CB 1.993 44.023 42.059 -0.049 0.000 1.316 434 L HN 0.791 nan 8.230 nan 0.000 0.432 435 N N -1.307 117.312 118.700 -0.134 0.000 3.102 435 N HA 0.270 5.010 4.740 -0.000 0.000 0.299 435 N C -0.078 175.422 175.510 -0.017 0.000 1.482 435 N CA -0.883 52.055 53.050 -0.187 0.000 0.785 435 N CB 1.193 39.380 38.487 -0.501 0.000 1.680 435 N HN 0.474 nan 8.380 nan 0.000 0.594 436 Q N -0.747 119.079 119.800 0.043 0.000 2.181 436 Q HA -0.094 4.246 4.340 -0.000 0.000 0.205 436 Q C 1.633 177.695 176.000 0.102 0.000 0.980 436 Q CA 1.927 57.794 55.803 0.108 0.000 0.862 436 Q CB -0.317 28.518 28.738 0.161 0.000 0.905 436 Q HN 0.733 nan 8.270 nan 0.000 0.429 437 A N -0.014 122.870 122.820 0.108 0.000 2.239 437 A HA -0.053 4.267 4.320 -0.000 0.000 0.209 437 A C 1.979 179.636 177.584 0.121 0.000 1.171 437 A CA 0.764 52.874 52.037 0.121 0.000 0.768 437 A CB -0.131 18.960 19.000 0.152 0.000 0.790 437 A HN 0.190 nan 8.150 nan 0.000 0.478 438 S N -0.497 115.265 115.700 0.103 0.000 2.402 438 S HA -0.109 4.360 4.470 -0.000 0.000 0.229 438 S C 1.826 176.520 174.600 0.157 0.000 1.021 438 S CA 1.323 59.589 58.200 0.110 0.000 0.974 438 S CB -0.244 62.997 63.200 0.069 0.000 0.800 438 S HN 0.413 nan 8.310 nan 0.000 0.484 439 V N 1.730 121.734 119.914 0.149 0.000 2.307 439 V HA -0.117 4.003 4.120 -0.000 0.000 0.245 439 V C 2.233 178.472 176.094 0.242 0.000 1.045 439 V CA 1.329 63.745 62.300 0.194 0.000 1.024 439 V CB -0.639 31.273 31.823 0.149 0.000 0.651 439 V HN 0.360 nan 8.190 nan 0.000 0.449 440 L N 0.699 122.032 121.223 0.182 0.000 2.042 440 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 440 L C 2.425 179.386 176.870 0.150 0.000 1.076 440 L CA 2.331 57.263 54.840 0.154 0.000 0.749 440 L CB -0.770 41.353 42.059 0.106 0.000 0.893 440 L HN 0.311 nan 8.230 nan 0.000 0.432 441 K N -0.904 119.591 120.400 0.157 0.000 2.057 441 K HA -0.254 4.066 4.320 -0.000 0.000 0.207 441 K C 2.059 178.779 176.600 0.200 0.000 1.049 441 K CA 1.935 58.307 56.287 0.142 0.000 0.931 441 K CB -0.834 31.739 32.500 0.122 0.000 0.714 441 K HN 0.312 nan 8.250 nan 0.000 0.440 442 F N 0.936 120.970 119.950 0.141 0.000 2.102 442 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 442 F C 1.727 177.690 175.800 0.271 0.000 1.105 442 F CA 1.686 59.808 58.000 0.203 0.000 1.239 442 F CB -0.296 38.833 39.000 0.216 0.000 0.991 442 F HN 0.008 nan 8.300 nan 0.000 0.474 443 I N 0.380 121.102 120.570 0.254 0.000 2.151 443 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 443 I C 2.308 178.522 176.117 0.163 0.000 1.080 443 I CA 1.933 63.397 61.300 0.274 0.000 1.339 443 I CB -0.659 37.466 38.000 0.208 0.000 1.039 443 I HN 0.229 nan 8.210 nan 0.000 0.409 444 E N -0.111 120.134 120.200 0.076 0.000 2.051 444 E HA -0.279 4.071 4.350 -0.000 0.000 0.192 444 E C 2.122 178.718 176.600 -0.007 0.000 0.991 444 E CA 1.621 58.029 56.400 0.013 0.000 0.799 444 E CB -0.306 29.386 29.700 -0.014 0.000 0.748 444 E HN 0.494 nan 8.360 nan 0.000 0.449 445 Y N 1.830 122.040 120.300 -0.149 0.000 2.128 445 Y HA -0.270 4.280 4.550 -0.000 0.000 0.284 445 Y C 2.112 177.800 175.900 -0.353 0.000 1.154 445 Y CA 1.971 59.943 58.100 -0.213 0.000 1.149 445 Y CB -0.195 38.156 38.460 -0.181 0.000 0.976 445 Y HN -0.027 nan 8.280 nan 0.000 0.505 446 N N -0.802 117.570 118.700 -0.546 0.000 2.216 446 N HA -0.173 4.567 4.740 -0.000 0.000 0.183 446 N C 1.180 176.192 175.510 -0.830 0.000 1.017 446 N CA 1.578 54.067 53.050 -0.935 0.000 0.861 446 N CB -0.356 37.259 38.487 -1.452 0.000 0.986 446 N HN 0.482 nan 8.380 nan 0.000 0.428 447 W N -0.126 120.961 121.300 -0.355 0.000 3.127 447 W HA 0.410 5.069 4.660 -0.000 0.000 0.344 447 W C 0.619 177.000 176.519 -0.231 0.000 1.151 447 W CA 0.432 57.620 57.345 -0.262 0.000 1.765 447 W CB -0.166 29.174 29.460 -0.200 0.000 1.085 447 W HN 0.195 nan 8.180 nan 0.000 0.596 448 G N 2.346 111.079 108.800 -0.111 0.000 2.291 448 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.271 448 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.271 448 G C -0.540 174.316 174.900 -0.074 0.000 1.099 448 G CA -0.257 44.767 45.100 -0.127 0.000 0.919 448 G HN 0.164 nan 8.290 nan 0.000 0.496 449 I N 0.054 120.582 120.570 -0.069 0.000 2.562 449 I HA 0.687 4.857 4.170 -0.000 0.000 0.301 449 I C 1.247 177.281 176.117 -0.138 0.000 1.003 449 I CA -0.463 60.775 61.300 -0.104 0.000 1.127 449 I CB 1.865 39.789 38.000 -0.128 0.000 1.304 449 I HN 0.205 nan 8.210 nan 0.000 0.446 450 G N 1.765 110.456 108.800 -0.182 0.000 2.543 450 G HA2 0.262 4.222 3.960 -0.000 0.000 0.267 450 G HA3 0.262 4.222 3.960 -0.000 0.000 0.267 450 G C -0.345 174.417 174.900 -0.231 0.000 1.406 450 G CA -0.401 44.605 45.100 -0.158 0.000 1.048 450 G HN 0.523 nan 8.290 nan 0.000 0.548 451 S N -1.174 114.432 115.700 -0.156 0.000 2.549 451 S HA 0.071 4.541 4.470 -0.000 0.000 0.286 451 S C 1.694 176.180 174.600 -0.191 0.000 1.314 451 S CA -0.032 58.088 58.200 -0.133 0.000 1.062 451 S CB 0.943 64.100 63.200 -0.072 0.000 0.865 451 S HN 1.160 nan 8.310 nan 0.000 0.498 452 V N 2.713 122.532 119.914 -0.158 0.000 2.667 452 V HA 0.229 4.349 4.120 -0.000 0.000 0.252 452 V C 0.740 176.982 176.094 0.246 0.000 1.065 452 V CA 1.189 63.446 62.300 -0.071 0.000 1.083 452 V CB -1.461 30.401 31.823 0.065 0.000 0.692 452 V HN 0.980 nan 8.190 nan 0.000 0.468 453 S N -0.500 115.293 115.700 0.155 0.000 2.615 453 S HA 0.347 4.817 4.470 -0.000 0.000 0.268 453 S C 0.297 174.928 174.600 0.052 0.000 1.146 453 S CA -0.264 58.028 58.200 0.154 0.000 0.818 453 S CB 1.412 64.772 63.200 0.266 0.000 1.111 453 S HN 0.492 nan 8.310 nan 0.000 0.465 454 K N -0.235 120.105 120.400 -0.100 0.000 2.439 454 K HA 0.014 4.334 4.320 -0.000 0.000 0.197 454 K C 0.598 177.123 176.600 -0.125 0.000 1.041 454 K CA 1.082 57.273 56.287 -0.161 0.000 0.970 454 K CB -0.606 31.729 32.500 -0.275 0.000 0.773 454 K HN 0.648 nan 8.250 nan 0.000 0.479 455 Y N 1.413 121.793 120.300 0.134 0.000 2.523 455 Y HA 0.145 4.695 4.550 -0.000 0.000 0.279 455 Y C 1.231 177.078 175.900 -0.089 0.000 1.139 455 Y CA -0.219 57.914 58.100 0.055 0.000 1.296 455 Y CB 0.129 38.625 38.460 0.060 0.000 1.045 455 Y HN -0.014 nan 8.280 nan 0.000 0.538 456 S N 0.850 116.659 115.700 0.182 0.000 2.565 456 S HA 0.001 4.471 4.470 -0.000 0.000 0.276 456 S C 1.124 175.881 174.600 0.261 0.000 1.326 456 S CA -0.451 57.831 58.200 0.137 0.000 1.045 456 S CB 0.430 63.707 63.200 0.128 0.000 0.918 456 S HN 0.391 nan 8.310 nan 0.000 0.505 457 N N 2.405 121.258 118.700 0.254 0.000 2.521 457 N HA -0.068 4.671 4.740 -0.000 0.000 0.188 457 N C 1.060 176.755 175.510 0.309 0.000 1.146 457 N CA 0.968 54.313 53.050 0.492 0.000 0.893 457 N CB -0.103 38.651 38.487 0.445 0.000 0.975 457 N HN 0.768 nan 8.380 nan 0.000 0.451 458 D N 0.232 120.731 120.400 0.165 0.000 2.123 458 D HA -0.227 4.413 4.640 -0.000 0.000 0.196 458 D C 1.289 177.595 176.300 0.011 0.000 0.992 458 D CA 1.394 55.447 54.000 0.087 0.000 0.833 458 D CB -0.431 40.395 40.800 0.044 0.000 0.954 458 D HN 0.214 nan 8.370 nan 0.000 0.455 459 K N -0.823 119.507 120.400 -0.117 0.000 2.218 459 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 459 K C 1.117 177.449 176.600 -0.448 0.000 1.046 459 K CA 1.164 57.231 56.287 -0.367 0.000 0.933 459 K CB -0.243 31.849 32.500 -0.679 0.000 0.728 459 K HN 0.363 nan 8.250 nan 0.000 0.454 460 Y N -0.226 120.146 120.300 0.121 0.000 2.467 460 Y HA 0.208 4.758 4.550 -0.000 0.000 0.250 460 Y C 0.523 176.501 175.900 0.130 0.000 1.155 460 Y CA -0.411 57.753 58.100 0.107 0.000 1.249 460 Y CB 0.625 39.145 38.460 0.099 0.000 1.146 460 Y HN -0.229 nan 8.280 nan 0.000 0.524 461 S N 1.504 117.334 115.700 0.217 0.000 2.537 461 S HA 0.202 4.672 4.470 -0.000 0.000 0.275 461 S C 0.037 174.705 174.600 0.112 0.000 1.272 461 S CA -0.840 57.467 58.200 0.178 0.000 1.050 461 S CB 0.400 63.693 63.200 0.155 0.000 0.961 461 S HN 0.221 nan 8.310 nan 0.000 0.496 462 N N 2.936 121.693 118.700 0.095 0.000 2.503 462 N HA 0.139 4.879 4.740 -0.000 0.000 0.267 462 N C 0.233 175.774 175.510 0.052 0.000 1.214 462 N CA -0.205 52.880 53.050 0.059 0.000 0.959 462 N CB 0.243 38.761 38.487 0.051 0.000 1.142 462 N HN 0.519 nan 8.380 nan 0.000 0.455 463 N N 0.731 119.445 118.700 0.024 0.000 2.294 463 N HA 0.142 4.882 4.740 -0.000 0.000 0.248 463 N C 0.778 176.321 175.510 0.055 0.000 1.300 463 N CA -0.133 52.941 53.050 0.041 0.000 0.925 463 N CB 0.482 38.922 38.487 -0.078 0.000 1.188 463 N HN 0.577 nan 8.380 nan 0.000 0.512 464 I N -1.032 119.601 120.570 0.105 0.000 3.927 464 I HA 0.203 4.373 4.170 -0.000 0.000 0.332 464 I C 0.775 176.919 176.117 0.045 0.000 1.485 464 I CA -0.122 61.191 61.300 0.022 0.000 1.131 464 I CB 0.048 38.010 38.000 -0.064 0.000 1.092 464 I HN 0.238 nan 8.210 nan 0.000 0.410 465 L N 0.909 122.210 121.223 0.131 0.000 2.362 465 L HA -0.043 4.297 4.340 -0.000 0.000 0.219 465 L C 1.941 178.855 176.870 0.073 0.000 1.134 465 L CA 0.998 55.970 54.840 0.219 0.000 0.807 465 L CB -0.747 41.402 42.059 0.150 0.000 0.927 465 L HN 0.397 nan 8.230 nan 0.000 0.447 466 N N 0.242 118.946 118.700 0.007 0.000 2.571 466 N HA -0.069 4.671 4.740 -0.000 0.000 0.189 466 N C 1.559 177.014 175.510 -0.091 0.000 1.154 466 N CA 0.685 53.724 53.050 -0.019 0.000 0.907 466 N CB 0.081 38.594 38.487 0.043 0.000 0.977 466 N HN 0.288 nan 8.380 nan 0.000 0.449 467 M N -1.035 118.449 119.600 -0.194 0.000 2.495 467 M HA 0.157 4.636 4.480 -0.000 0.000 0.237 467 M C -0.665 175.313 176.300 -0.538 0.000 1.131 467 M CA 0.209 55.304 55.300 -0.342 0.000 1.032 467 M CB 0.320 32.651 32.600 -0.448 0.000 1.513 467 M HN -0.074 nan 8.290 nan 0.000 0.488 468 F N 0.148 119.900 119.950 -0.331 0.000 2.522 468 F HA 0.382 4.909 4.527 -0.000 0.000 0.324 468 F C -0.054 175.400 175.800 -0.577 0.000 1.077 468 F CA -1.528 56.140 58.000 -0.553 0.000 0.944 468 F CB 1.102 39.506 39.000 -0.994 0.000 1.175 468 F HN -0.215 nan 8.300 nan 0.000 0.468 469 D N 1.973 122.194 120.400 -0.299 0.000 2.420 469 D HA 0.239 4.879 4.640 -0.000 0.000 0.255 469 D C -0.290 175.938 176.300 -0.119 0.000 1.185 469 D CA -0.296 53.576 54.000 -0.215 0.000 0.904 469 D CB 0.331 41.053 40.800 -0.131 0.000 1.102 469 D HN 0.221 nan 8.370 nan 0.000 0.534 470 F N 1.708 121.720 119.950 0.104 0.000 2.797 470 F HA 0.192 4.719 4.527 -0.000 0.000 0.302 470 F C 1.744 177.586 175.800 0.070 0.000 1.130 470 F CA -0.078 57.962 58.000 0.066 0.000 1.387 470 F CB -0.031 38.906 39.000 -0.104 0.000 1.107 470 F HN 0.283 nan 8.300 nan 0.000 0.577 471 N N 0.453 119.262 118.700 0.183 0.000 2.348 471 N HA -0.014 4.726 4.740 -0.000 0.000 0.183 471 N C 0.525 176.087 175.510 0.087 0.000 1.094 471 N CA 0.113 53.233 53.050 0.117 0.000 0.885 471 N CB 0.112 38.644 38.487 0.075 0.000 1.065 471 N HN 0.327 nan 8.380 nan 0.000 0.472 472 K N 1.812 122.256 120.400 0.073 0.000 2.436 472 K HA 0.083 4.403 4.320 -0.000 0.000 0.275 472 K C 0.344 176.973 176.600 0.048 0.000 0.999 472 K CA 0.272 56.584 56.287 0.041 0.000 0.980 472 K CB 1.213 33.720 32.500 0.012 0.000 0.919 472 K HN 0.025 nan 8.250 nan 0.000 0.484 473 E N 1.888 122.105 120.200 0.027 0.000 2.051 473 E HA -0.129 4.221 4.350 -0.000 0.000 0.189 473 E C 0.023 176.626 176.600 0.004 0.000 0.979 473 E CA 0.972 57.386 56.400 0.023 0.000 0.803 473 E CB 0.137 29.847 29.700 0.017 0.000 0.761 473 E HN 0.609 nan 8.360 nan 0.000 0.451 474 Q N 1.743 121.540 119.800 -0.004 0.000 2.304 474 Q HA 0.111 4.451 4.340 -0.000 0.000 0.260 474 Q C -0.366 175.611 176.000 -0.038 0.000 0.965 474 Q CA -0.094 55.700 55.803 -0.015 0.000 0.898 474 Q CB 0.876 29.608 28.738 -0.009 0.000 1.196 474 Q HN -0.118 nan 8.270 nan 0.000 0.402 475 K N 1.775 122.141 120.400 -0.057 0.000 2.202 475 K HA 0.176 4.495 4.320 -0.000 0.000 0.264 475 K C -0.168 176.415 176.600 -0.029 0.000 1.010 475 K CA -0.142 56.081 56.287 -0.106 0.000 0.940 475 K CB 0.696 33.105 32.500 -0.152 0.000 0.983 475 K HN 0.519 nan 8.250 nan 0.000 0.475 476 T N 3.241 117.787 114.554 -0.014 0.000 2.817 476 T HA 0.148 4.498 4.350 -0.000 0.000 0.295 476 T C 0.773 175.604 174.700 0.218 0.000 0.958 476 T CA -0.244 61.898 62.100 0.071 0.000 1.157 476 T CB 0.027 68.968 68.868 0.121 0.000 0.898 476 T HN 0.216 nan 8.240 nan 0.000 0.536 477 L N 3.102 124.422 121.223 0.162 0.000 2.453 477 L HA 0.312 4.652 4.340 -0.000 0.000 0.261 477 L C 0.996 178.086 176.870 0.365 0.000 1.179 477 L CA -0.842 54.140 54.840 0.238 0.000 0.813 477 L CB 0.335 42.458 42.059 0.106 0.000 1.110 477 L HN 0.520 nan 8.230 nan 0.000 0.466 478 K N 1.583 122.161 120.400 0.297 0.000 2.380 478 K HA 0.248 4.568 4.320 -0.000 0.000 0.267 478 K C -0.731 175.950 176.600 0.136 0.000 0.990 478 K CA -0.290 56.034 56.287 0.061 0.000 0.946 478 K CB 0.447 32.783 32.500 -0.275 0.000 0.937 478 K HN 0.199 nan 8.250 nan 0.000 0.491 479 L N 3.923 125.271 121.223 0.208 0.000 2.345 479 L HA 0.332 4.671 4.340 -0.000 0.000 0.274 479 L C -1.395 175.551 176.870 0.126 0.000 0.999 479 L CA -0.512 54.453 54.840 0.208 0.000 0.849 479 L CB 0.958 43.267 42.059 0.417 0.000 1.220 479 L HN 0.460 nan 8.230 nan 0.000 0.422 480 I N 6.305 126.901 120.570 0.044 0.000 2.321 480 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 480 I C -0.078 176.047 176.117 0.013 0.000 0.998 480 I CA -0.300 61.007 61.300 0.012 0.000 1.227 480 I CB 1.074 39.063 38.000 -0.019 0.000 1.368 480 I HN 0.554 nan 8.210 nan 0.000 0.466 481 L N 4.267 125.497 121.223 0.011 0.000 2.303 481 L HA 0.500 4.840 4.340 -0.000 0.000 0.266 481 L C -0.018 176.844 176.870 -0.013 0.000 1.011 481 L CA -1.008 53.824 54.840 -0.013 0.000 0.818 481 L CB 1.851 43.877 42.059 -0.055 0.000 1.326 481 L HN 0.401 nan 8.230 nan 0.000 0.435 482 D N 2.187 122.576 120.400 -0.018 0.000 2.316 482 D HA 0.148 4.788 4.640 -0.000 0.000 0.245 482 D C -1.700 174.591 176.300 -0.015 0.000 1.171 482 D CA -2.033 51.958 54.000 -0.014 0.000 0.856 482 D CB 1.603 42.394 40.800 -0.014 0.000 1.090 482 D HN 0.185 nan 8.370 nan 0.000 0.476 483 P HA -0.124 nan 4.420 nan 0.000 0.222 483 P C 0.813 178.110 177.300 -0.005 0.000 1.147 483 P CA 0.753 63.851 63.100 -0.003 0.000 0.790 483 P CB 0.461 32.162 31.700 0.003 0.000 0.780 484 K N -0.439 119.956 120.400 -0.009 0.000 2.365 484 K HA 0.033 4.353 4.320 -0.000 0.000 0.197 484 K C 1.794 178.380 176.600 -0.023 0.000 1.042 484 K CA 1.600 57.879 56.287 -0.014 0.000 0.987 484 K CB -0.355 32.139 32.500 -0.011 0.000 0.779 484 K HN 0.339 nan 8.250 nan 0.000 0.484 485 T N -5.107 109.432 114.554 -0.025 0.000 2.980 485 T HA 0.214 4.564 4.350 -0.000 0.000 0.252 485 T C 1.419 176.093 174.700 -0.043 0.000 0.962 485 T CA 0.730 62.812 62.100 -0.031 0.000 0.932 485 T CB 0.689 69.545 68.868 -0.019 0.000 1.188 485 T HN 0.193 nan 8.240 nan 0.000 0.500 486 G N 1.769 110.541 108.800 -0.046 0.000 2.179 486 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.260 486 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.260 486 G C -0.026 174.843 174.900 -0.051 0.000 0.977 486 G CA 0.349 45.407 45.100 -0.069 0.000 0.641 486 G HN 0.671 nan 8.290 nan 0.000 0.533 487 L N 0.791 121.999 121.223 -0.026 0.000 2.418 487 L HA 0.480 4.820 4.340 -0.000 0.000 0.265 487 L C 1.372 178.231 176.870 -0.018 0.000 1.143 487 L CA -1.087 53.747 54.840 -0.009 0.000 0.809 487 L CB 1.141 43.197 42.059 -0.005 0.000 1.124 487 L HN -0.059 nan 8.230 nan 0.000 0.456 488 V N 2.676 122.583 119.914 -0.013 0.000 2.617 488 V HA -0.108 4.012 4.120 -0.000 0.000 0.304 488 V C 0.581 176.669 176.094 -0.011 0.000 1.040 488 V CA 0.330 62.623 62.300 -0.011 0.000 1.149 488 V CB 0.714 32.530 31.823 -0.010 0.000 0.914 488 V HN 0.650 nan 8.190 nan 0.000 0.487 496 H N 0.614 119.678 119.070 -0.009 0.000 2.814 496 H HA -0.290 4.266 4.556 -0.000 0.000 0.088 496 H C -0.275 174.869 175.328 -0.308 0.000 0.571 496 H CA 2.282 58.248 56.048 -0.137 0.000 1.713 496 H CB -0.680 29.042 29.762 -0.066 0.000 1.973 496 H HN 0.646 nan 8.280 nan 0.000 0.929 497 H N -0.312 118.903 119.070 0.242 0.000 2.524 497 H HA 0.349 4.905 4.556 -0.000 0.000 0.353 497 H C 0.011 175.387 175.328 0.081 0.000 1.136 497 H CA -0.389 55.742 56.048 0.138 0.000 1.193 497 H CB 1.435 31.259 29.762 0.105 0.000 1.558 497 H HN 0.362 nan 8.280 nan 0.000 0.515 498 H N 0.000 119.097 119.070 0.044 0.000 2.539 498 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 498 H CA 0.000 56.003 56.048 -0.075 0.000 1.023 498 H CB 0.000 29.660 29.762 -0.169 0.000 1.292 498 H HN 0.000 nan 8.280 nan 0.000 0.496