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 2d2x_1_A DATA FIRST_RESID 2 DATA SEQUENCE TTKQIcFADR cFNFAFGEHV LESVESYIPR DEFDQYIMIS DSGVPDSIVH DATA SEQUENCE YAAEYFGKLA PVHILRFQGG EEYKTLSTVT NLQERAIALG ANRRTAIVAV DATA SEQUENCE GGGLTGNVAG VAAGMMFRGI ALIHVPTTFL AASDSVLSIK QAVNLTSGKN DATA SEQUENCE LVGFYYPPRF VFADTRILSE SPPRQVKAGM CELVKNMLIL XXXXKEFTED DATA SEQUENCE DLNSANVYSP KQLETFINFC ISAKMSVLSE DIYEKKKGLI FEYGHTIGHA DATA SEQUENCE IELAEQGGIT HGEAIAVGMI YAAKIANRMN LMPEHDVSAH YWLLNKIGAL DATA SEQUENCE QDIPLKSDPD SIFHYLIHXX XXXXXXXXED NLGMILLSGV GKPAMYNQTL DATA SEQUENCE LTPVRKTLIK EVIREGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.380 174.700 -0.533 0.000 1.109 2 T CA 0.000 61.793 62.100 -0.511 0.000 1.349 2 T CB 0.000 68.355 68.868 -0.854 0.000 0.612 3 T N 3.643 118.068 114.554 -0.215 0.000 2.861 3 T HA 0.688 5.347 4.350 0.515 0.000 0.287 3 T C -0.928 173.787 174.700 0.025 0.000 1.003 3 T CA -0.960 61.123 62.100 -0.027 0.000 0.977 3 T CB 1.275 70.230 68.868 0.145 0.000 0.996 3 T HN 0.270 nan 8.240 nan 0.000 0.448 4 K N 2.693 123.165 120.400 0.120 0.000 2.427 4 K HA 0.362 4.991 4.320 0.515 0.000 0.252 4 K C -0.659 175.986 176.600 0.075 0.000 0.931 4 K CA -0.711 55.636 56.287 0.101 0.000 0.793 4 K CB 2.643 35.224 32.500 0.136 0.000 1.211 4 K HN 0.600 nan 8.250 nan 0.000 0.426 5 Q N 2.537 122.339 119.800 0.003 0.000 2.349 5 Q HA 0.404 5.053 4.340 0.515 0.000 0.254 5 Q C -0.219 175.680 176.000 -0.170 0.000 0.980 5 Q CA -0.156 55.606 55.803 -0.068 0.000 0.924 5 Q CB 0.824 29.532 28.738 -0.051 0.000 1.209 5 Q HN 0.402 nan 8.270 nan 0.000 0.445 6 I N 2.188 122.540 120.570 -0.363 0.000 2.377 6 I HA 0.364 4.843 4.170 0.515 0.000 0.293 6 I C -0.571 175.219 176.117 -0.544 0.000 0.987 6 I CA -0.778 60.207 61.300 -0.524 0.000 1.185 6 I CB 1.422 38.943 38.000 -0.798 0.000 1.341 6 I HN 0.575 nan 8.210 nan 0.000 0.455 7 c N 5.975 124.367 118.600 -0.347 0.000 2.397 7 c HA 0.440 5.319 4.570 0.515 0.000 0.325 7 c C -0.399 173.573 174.090 -0.196 0.000 1.201 7 c CA -0.726 55.488 56.329 -0.192 0.000 1.377 7 c CB 0.440 42.864 42.510 -0.143 0.000 2.038 7 c HN 0.478 nan 8.230 nan 0.000 0.457 8 F N 3.132 123.025 119.950 -0.096 0.000 2.334 8 F HA 0.549 5.387 4.527 0.518 0.000 0.365 8 F C 1.027 176.774 175.800 -0.089 0.000 1.124 8 F CA 1.105 59.062 58.000 -0.073 0.000 1.166 8 F CB 0.297 39.285 39.000 -0.019 0.000 1.355 8 F HN 1.033 nan 8.300 nan 0.000 0.532 9 A N 2.824 125.629 122.820 -0.025 0.000 5.471 9 A HA -0.358 4.271 4.320 0.515 0.000 0.292 9 A C 1.493 179.064 177.584 -0.022 0.000 2.024 9 A CA 1.450 53.465 52.037 -0.038 0.000 0.716 9 A CB -1.576 17.399 19.000 -0.041 0.000 1.221 9 A HN 0.727 nan 8.150 nan 0.000 0.364 10 D N 0.789 121.182 120.400 -0.011 0.000 2.328 10 D HA 0.171 5.120 4.640 0.515 0.000 0.221 10 D C 0.571 176.874 176.300 0.006 0.000 1.072 10 D CA 0.443 54.438 54.000 -0.008 0.000 0.850 10 D CB -0.317 40.478 40.800 -0.009 0.000 0.922 10 D HN 0.577 nan 8.370 nan 0.000 0.516 11 R N 0.138 120.658 120.500 0.034 0.000 2.215 11 R HA 0.456 5.106 4.340 0.515 0.000 0.337 11 R C -0.685 175.672 176.300 0.094 0.000 1.010 11 R CA -0.454 55.678 56.100 0.055 0.000 0.871 11 R CB 1.018 31.352 30.300 0.058 0.000 1.134 11 R HN 0.088 nan 8.270 nan 0.000 0.477 12 c N 2.857 121.485 118.600 0.046 0.000 2.486 12 c HA 0.785 5.664 4.570 0.515 0.000 0.348 12 c C -0.610 173.521 174.090 0.069 0.000 1.203 12 c CA -0.878 55.444 56.329 -0.012 0.000 1.911 12 c CB 0.640 43.109 42.510 -0.070 0.000 2.340 12 c HN 0.834 nan 8.230 nan 0.000 0.511 13 F N -0.468 119.447 119.950 -0.059 0.000 2.703 13 F HA 0.520 5.360 4.527 0.521 0.000 0.308 13 F C -1.125 174.622 175.800 -0.088 0.000 1.126 13 F CA -1.035 56.870 58.000 -0.159 0.000 0.959 13 F CB 0.582 39.491 39.000 -0.152 0.000 1.297 13 F HN 0.343 nan 8.300 nan 0.000 0.441 14 N N 2.262 121.017 118.700 0.092 0.000 2.455 14 N HA 0.310 5.359 4.740 0.515 0.000 0.280 14 N C -1.694 174.003 175.510 0.311 0.000 1.055 14 N CA -0.228 52.916 53.050 0.157 0.000 0.961 14 N CB 1.601 40.193 38.487 0.174 0.000 1.121 14 N HN 0.806 nan 8.380 nan 0.000 0.476 15 F N 1.483 121.519 119.950 0.144 0.000 2.366 15 F HA 0.532 5.370 4.527 0.519 0.000 0.366 15 F C -0.429 175.495 175.800 0.208 0.000 1.096 15 F CA -1.014 57.098 58.000 0.186 0.000 1.060 15 F CB 0.624 39.782 39.000 0.264 0.000 1.282 15 F HN 0.404 nan 8.300 nan 0.000 0.450 16 A N 6.796 129.857 122.820 0.401 0.000 2.305 16 A HA 0.707 5.336 4.320 0.515 0.000 0.322 16 A C -1.410 176.406 177.584 0.387 0.000 1.187 16 A CA -0.455 51.658 52.037 0.127 0.000 0.825 16 A CB 0.431 19.187 19.000 -0.406 0.000 1.164 16 A HN 0.809 nan 8.150 nan 0.000 0.498 17 F N 0.166 120.149 119.950 0.055 0.000 2.588 17 F HA 0.845 5.681 4.527 0.514 0.000 0.314 17 F C 0.121 175.949 175.800 0.048 0.000 1.134 17 F CA -0.185 57.862 58.000 0.079 0.000 0.961 17 F CB 1.433 40.430 39.000 -0.005 0.000 1.239 17 F HN 1.121 nan 8.300 nan 0.000 0.448 18 G N 1.436 110.330 108.800 0.156 0.000 2.315 18 G HA2 0.284 4.553 3.960 0.515 0.000 0.294 18 G HA3 0.284 4.553 3.960 0.515 0.000 0.294 18 G C -2.085 172.822 174.900 0.012 0.000 1.300 18 G CA -1.168 43.958 45.100 0.044 0.000 0.843 18 G HN 0.774 nan 8.290 nan 0.000 0.527 19 E N 1.211 121.352 120.200 -0.099 0.000 2.366 19 E HA 0.250 4.909 4.350 0.515 0.000 0.266 19 E C -0.243 176.174 176.600 -0.305 0.000 1.015 19 E CA -0.183 56.016 56.400 -0.334 0.000 0.906 19 E CB 0.121 29.524 29.700 -0.494 0.000 0.979 19 E HN 0.573 nan 8.360 nan 0.000 0.443 20 H N 0.251 119.364 119.070 0.072 0.000 2.692 20 H HA -0.133 4.731 4.556 0.514 0.000 0.316 20 H C 1.045 176.378 175.328 0.010 0.000 1.176 20 H CA 0.686 56.767 56.048 0.054 0.000 1.142 20 H CB -2.406 27.370 29.762 0.024 0.000 1.475 20 H HN 0.475 nan 8.280 nan 0.000 0.423 21 V N -2.736 117.252 119.914 0.125 0.000 2.626 21 V HA -0.184 4.245 4.120 0.515 0.000 0.252 21 V C 2.484 178.585 176.094 0.012 0.000 1.067 21 V CA 1.617 63.998 62.300 0.135 0.000 1.081 21 V CB -0.459 31.462 31.823 0.162 0.000 0.686 21 V HN 0.398 nan 8.190 nan 0.000 0.468 22 L N 0.135 121.280 121.223 -0.129 0.000 2.109 22 L HA -0.040 4.609 4.340 0.515 0.000 0.207 22 L C 2.729 179.246 176.870 -0.589 0.000 1.086 22 L CA 1.478 56.068 54.840 -0.418 0.000 0.760 22 L CB -0.628 41.210 42.059 -0.368 0.000 0.910 22 L HN 0.351 nan 8.230 nan 0.000 0.437 23 E N -0.097 119.677 120.200 -0.711 0.000 2.510 23 E HA -0.137 4.522 4.350 0.515 0.000 0.202 23 E C 1.083 177.518 176.600 -0.274 0.000 1.072 23 E CA 1.066 56.923 56.400 -0.905 0.000 0.883 23 E CB -0.019 29.306 29.700 -0.625 0.000 0.818 23 E HN 0.463 nan 8.360 nan 0.000 0.548 24 S N -0.870 114.740 115.700 -0.150 0.000 2.941 24 S HA 0.127 4.906 4.470 0.515 0.000 0.251 24 S C 1.035 175.644 174.600 0.014 0.000 1.029 24 S CA -0.450 57.723 58.200 -0.045 0.000 1.062 24 S CB 0.577 63.778 63.200 0.003 0.000 0.977 24 S HN 0.084 nan 8.310 nan 0.000 0.552 25 V N 2.277 122.112 119.914 -0.132 0.000 2.490 25 V HA -0.165 4.264 4.120 0.515 0.000 0.250 25 V C 2.173 178.195 176.094 -0.120 0.000 1.061 25 V CA 2.288 64.443 62.300 -0.243 0.000 1.064 25 V CB -0.514 30.791 31.823 -0.864 0.000 0.670 25 V HN 0.682 nan 8.190 nan 0.000 0.461 26 E N 0.733 120.857 120.200 -0.126 0.000 2.160 26 E HA -0.177 4.482 4.350 0.515 0.000 0.195 26 E C 2.101 178.665 176.600 -0.060 0.000 0.991 26 E CA 1.609 57.963 56.400 -0.077 0.000 0.810 26 E CB -0.267 29.397 29.700 -0.061 0.000 0.742 26 E HN 0.829 nan 8.360 nan 0.000 0.466 27 S N -0.716 114.907 115.700 -0.130 0.000 2.603 27 S HA -0.000 4.779 4.470 0.515 0.000 0.220 27 S C 1.266 175.723 174.600 -0.238 0.000 0.967 27 S CA 0.109 58.185 58.200 -0.208 0.000 0.920 27 S CB -0.115 62.897 63.200 -0.313 0.000 0.773 27 S HN 0.294 nan 8.310 nan 0.000 0.529 28 Y N 0.786 121.131 120.300 0.074 0.000 2.558 28 Y HA 0.521 5.381 4.550 0.516 0.000 0.273 28 Y C 0.709 176.713 175.900 0.172 0.000 1.100 28 Y CA -0.554 57.663 58.100 0.195 0.000 1.276 28 Y CB 0.547 39.236 38.460 0.381 0.000 1.196 28 Y HN 0.197 nan 8.280 nan 0.000 0.527 29 I N 2.754 123.430 120.570 0.177 0.000 2.465 29 I HA 0.306 4.785 4.170 0.515 0.000 0.291 29 I C -2.486 173.685 176.117 0.090 0.000 1.014 29 I CA -2.471 58.869 61.300 0.067 0.000 1.093 29 I CB 2.004 39.977 38.000 -0.044 0.000 1.267 29 I HN -0.221 nan 8.210 nan 0.000 0.431 30 P HA 0.132 nan 4.420 nan 0.000 0.271 30 P C 0.242 177.576 177.300 0.057 0.000 1.218 30 P CA -0.396 62.742 63.100 0.064 0.000 0.780 30 P CB 1.063 32.795 31.700 0.052 0.000 0.901 31 R N 1.669 122.197 120.500 0.046 0.000 2.091 31 R HA -0.113 4.536 4.340 0.515 0.000 0.238 31 R C 0.981 177.306 176.300 0.043 0.000 1.136 31 R CA 1.567 57.700 56.100 0.056 0.000 0.959 31 R CB -0.686 29.636 30.300 0.036 0.000 0.856 31 R HN 0.557 nan 8.270 nan 0.000 0.437 32 D N -0.023 120.378 120.400 0.002 0.000 2.340 32 D HA -0.050 4.899 4.640 0.515 0.000 0.220 32 D C 1.504 177.740 176.300 -0.105 0.000 1.039 32 D CA 0.111 54.093 54.000 -0.030 0.000 0.866 32 D CB 0.319 41.102 40.800 -0.028 0.000 0.913 32 D HN 0.139 nan 8.370 nan 0.000 0.523 33 E N 0.232 120.334 120.200 -0.164 0.000 2.023 33 E HA -0.114 4.545 4.350 0.515 0.000 0.196 33 E C -0.158 175.985 176.600 -0.763 0.000 1.003 33 E CA 1.140 57.248 56.400 -0.487 0.000 0.809 33 E CB 0.122 29.495 29.700 -0.545 0.000 0.755 33 E HN 0.141 nan 8.360 nan 0.000 0.449 34 F N -0.346 119.590 119.950 -0.024 0.000 2.563 34 F HA 0.236 5.077 4.527 0.523 0.000 0.316 34 F C 0.579 176.264 175.800 -0.192 0.000 1.076 34 F CA -0.709 57.194 58.000 -0.161 0.000 0.921 34 F CB 1.643 40.417 39.000 -0.377 0.000 1.209 34 F HN -0.114 nan 8.300 nan 0.000 0.462 35 D N -0.424 119.984 120.400 0.014 0.000 2.349 35 D HA 0.061 5.010 4.640 0.515 0.000 0.214 35 D C -0.064 176.211 176.300 -0.041 0.000 1.063 35 D CA 0.292 54.285 54.000 -0.012 0.000 0.847 35 D CB 0.525 41.326 40.800 0.002 0.000 0.933 35 D HN 0.583 nan 8.370 nan 0.000 0.513 36 Q N -0.851 118.858 119.800 -0.152 0.000 2.545 36 Q HA 0.280 4.929 4.340 0.515 0.000 0.273 36 Q C -2.093 173.707 176.000 -0.333 0.000 0.975 36 Q CA -0.707 55.017 55.803 -0.131 0.000 0.876 36 Q CB 1.212 29.953 28.738 0.005 0.000 1.472 36 Q HN 0.095 nan 8.270 nan 0.000 0.389 37 Y N 2.572 122.880 120.300 0.013 0.000 2.331 37 Y HA 0.511 5.367 4.550 0.510 0.000 0.334 37 Y C -0.207 175.652 175.900 -0.069 0.000 0.960 37 Y CA -0.619 57.435 58.100 -0.077 0.000 1.130 37 Y CB 1.592 39.984 38.460 -0.114 0.000 1.164 37 Y HN 0.460 nan 8.280 nan 0.000 0.458 38 I N 5.145 125.747 120.570 0.053 0.000 2.337 38 I HA 0.270 4.749 4.170 0.515 0.000 0.285 38 I C -0.398 175.709 176.117 -0.017 0.000 1.041 38 I CA -0.260 61.068 61.300 0.046 0.000 1.199 38 I CB 0.584 38.606 38.000 0.036 0.000 1.370 38 I HN 0.553 nan 8.210 nan 0.000 0.470 39 M N 7.043 126.626 119.600 -0.028 0.000 2.184 39 M HA 0.395 5.184 4.480 0.515 0.000 0.351 39 M C -0.439 175.850 176.300 -0.017 0.000 1.395 39 M CA 0.176 55.432 55.300 -0.073 0.000 1.117 39 M CB 0.753 33.294 32.600 -0.098 0.000 1.708 39 M HN 0.413 nan 8.290 nan 0.000 0.468 40 I N 2.089 122.659 120.570 -0.001 0.000 2.406 40 I HA 0.360 4.839 4.170 0.515 0.000 0.290 40 I C -0.157 176.019 176.117 0.097 0.000 0.999 40 I CA -0.365 60.983 61.300 0.080 0.000 1.124 40 I CB 1.990 40.045 38.000 0.092 0.000 1.289 40 I HN 0.576 nan 8.210 nan 0.000 0.441 41 S N 4.517 120.271 115.700 0.091 0.000 2.603 41 S HA 0.280 5.059 4.470 0.515 0.000 0.274 41 S C -1.047 173.389 174.600 -0.274 0.000 1.168 41 S CA -0.914 57.268 58.200 -0.031 0.000 0.963 41 S CB 1.093 64.257 63.200 -0.059 0.000 1.078 41 S HN 0.759 nan 8.310 nan 0.000 0.477 42 D N 2.851 122.899 120.400 -0.588 0.000 2.368 42 D HA 0.199 5.148 4.640 0.515 0.000 0.240 42 D C 1.490 177.473 176.300 -0.529 0.000 1.169 42 D CA 0.079 53.395 54.000 -1.138 0.000 0.906 42 D CB 0.649 40.758 40.800 -1.152 0.000 1.187 42 D HN 0.376 nan 8.370 nan 0.000 0.435 43 S N 0.363 115.780 115.700 -0.472 0.000 2.440 43 S HA -0.115 4.664 4.470 0.515 0.000 0.238 43 S C 2.019 176.514 174.600 -0.176 0.000 1.010 43 S CA 0.520 58.567 58.200 -0.255 0.000 0.972 43 S CB -0.960 62.108 63.200 -0.219 0.000 0.774 43 S HN 0.717 nan 8.310 nan 0.000 0.501 44 G N 0.815 109.506 108.800 -0.183 0.000 2.679 44 G HA2 0.223 4.492 3.960 0.515 0.000 0.212 44 G HA3 0.223 4.492 3.960 0.515 0.000 0.212 44 G C 0.321 175.172 174.900 -0.081 0.000 1.137 44 G CA 0.043 45.077 45.100 -0.110 0.000 0.787 44 G HN 0.455 nan 8.290 nan 0.000 0.534 45 V N 1.862 121.717 119.914 -0.097 0.000 2.530 45 V HA 0.206 4.635 4.120 0.515 0.000 0.282 45 V C -1.870 174.206 176.094 -0.029 0.000 1.048 45 V CA -1.676 60.591 62.300 -0.055 0.000 0.997 45 V CB 1.459 33.245 31.823 -0.061 0.000 0.987 45 V HN 0.018 nan 8.190 nan 0.000 0.477 46 P HA 0.029 nan 4.420 nan 0.000 0.261 46 P C 0.189 177.516 177.300 0.044 0.000 1.183 46 P CA 0.175 63.286 63.100 0.019 0.000 0.761 46 P CB 0.439 32.154 31.700 0.025 0.000 0.785 47 D N 1.301 121.743 120.400 0.070 0.000 2.149 47 D HA -0.160 4.789 4.640 0.515 0.000 0.198 47 D C 1.868 178.317 176.300 0.249 0.000 0.990 47 D CA 1.872 55.967 54.000 0.158 0.000 0.839 47 D CB -0.508 40.413 40.800 0.202 0.000 0.948 47 D HN 0.397 nan 8.370 nan 0.000 0.460 48 S N 0.266 116.063 115.700 0.162 0.000 2.383 48 S HA -0.155 4.624 4.470 0.515 0.000 0.229 48 S C 2.207 176.914 174.600 0.178 0.000 1.030 48 S CA 0.710 59.003 58.200 0.156 0.000 1.002 48 S CB -0.631 62.610 63.200 0.069 0.000 0.829 48 S HN 0.299 nan 8.310 nan 0.000 0.467 49 I N 1.255 121.903 120.570 0.131 0.000 2.233 49 I HA -0.102 4.377 4.170 0.515 0.000 0.243 49 I C 2.499 178.733 176.117 0.195 0.000 1.093 49 I CA 0.910 62.306 61.300 0.161 0.000 1.380 49 I CB -0.603 37.459 38.000 0.104 0.000 1.067 49 I HN 0.204 nan 8.210 nan 0.000 0.413 50 V N 0.748 120.712 119.914 0.083 0.000 2.255 50 V HA -0.338 4.091 4.120 0.515 0.000 0.247 50 V C 2.362 178.425 176.094 -0.052 0.000 1.051 50 V CA 2.267 64.548 62.300 -0.032 0.000 1.018 50 V CB -1.111 30.604 31.823 -0.180 0.000 0.641 50 V HN 0.426 nan 8.190 nan 0.000 0.445 51 H N -2.063 117.073 119.070 0.110 0.000 2.456 51 H HA -0.165 4.704 4.556 0.522 0.000 0.296 51 H C 2.008 177.423 175.328 0.144 0.000 1.079 51 H CA 1.974 58.080 56.048 0.097 0.000 1.322 51 H CB -0.244 29.563 29.762 0.074 0.000 1.388 51 H HN 0.557 nan 8.280 nan 0.000 0.538 52 Y N 0.947 121.351 120.300 0.174 0.000 2.163 52 Y HA -0.177 4.680 4.550 0.511 0.000 0.288 52 Y C 2.487 178.539 175.900 0.254 0.000 1.136 52 Y CA 1.176 59.395 58.100 0.200 0.000 1.147 52 Y CB -0.542 38.027 38.460 0.181 0.000 0.987 52 Y HN 0.167 nan 8.280 nan 0.000 0.509 53 A N 0.307 123.246 122.820 0.198 0.000 1.969 53 A HA -0.007 4.622 4.320 0.515 0.000 0.218 53 A C 2.363 180.049 177.584 0.171 0.000 1.169 53 A CA 1.519 53.654 52.037 0.164 0.000 0.635 53 A CB -1.334 17.793 19.000 0.212 0.000 0.810 53 A HN 0.584 nan 8.150 nan 0.000 0.445 54 A N -0.126 122.738 122.820 0.074 0.000 1.969 54 A HA -0.126 4.503 4.320 0.515 0.000 0.218 54 A C 1.984 179.556 177.584 -0.021 0.000 1.169 54 A CA 1.637 53.690 52.037 0.026 0.000 0.635 54 A CB -0.462 18.534 19.000 -0.007 0.000 0.810 54 A HN 0.690 nan 8.150 nan 0.000 0.445 55 E N -1.248 118.896 120.200 -0.094 0.000 2.077 55 E HA -0.233 4.427 4.350 0.515 0.000 0.193 55 E C 1.640 177.959 176.600 -0.469 0.000 0.989 55 E CA 1.610 57.831 56.400 -0.298 0.000 0.800 55 E CB -0.281 29.154 29.700 -0.443 0.000 0.746 55 E HN 0.748 nan 8.360 nan 0.000 0.452 56 Y N -1.157 119.010 120.300 -0.222 0.000 2.314 56 Y HA 0.008 4.866 4.550 0.513 0.000 0.294 56 Y C 1.903 177.609 175.900 -0.324 0.000 1.119 56 Y CA 0.659 58.580 58.100 -0.298 0.000 1.179 56 Y CB -0.188 38.012 38.460 -0.433 0.000 1.025 56 Y HN 0.048 nan 8.280 nan 0.000 0.541 57 F N -0.225 119.591 119.950 -0.224 0.000 2.365 57 F HA -0.066 4.776 4.527 0.526 0.000 0.300 57 F C 2.384 178.018 175.800 -0.277 0.000 1.090 57 F CA 1.225 58.976 58.000 -0.415 0.000 1.408 57 F CB -0.603 38.045 39.000 -0.588 0.000 1.060 57 F HN 0.040 nan 8.300 nan 0.000 0.534 58 G N -0.450 108.343 108.800 -0.013 0.000 2.509 58 G HA2 -0.187 4.082 3.960 0.515 0.000 0.218 58 G HA3 -0.187 4.082 3.960 0.515 0.000 0.218 58 G C 1.607 176.498 174.900 -0.016 0.000 1.124 58 G CA 0.260 45.357 45.100 -0.005 0.000 0.776 58 G HN 0.271 nan 8.290 nan 0.000 0.547 59 K N -0.419 119.944 120.400 -0.061 0.000 2.432 59 K HA 0.228 4.857 4.320 0.515 0.000 0.196 59 K C 1.823 178.426 176.600 0.005 0.000 1.038 59 K CA 0.199 56.457 56.287 -0.048 0.000 0.986 59 K CB 0.075 32.529 32.500 -0.077 0.000 0.782 59 K HN 0.324 nan 8.250 nan 0.000 0.485 60 L N -0.599 120.658 121.223 0.056 0.000 2.500 60 L HA 0.240 4.889 4.340 0.515 0.000 0.219 60 L C 0.548 177.568 176.870 0.250 0.000 1.057 60 L CA -0.189 54.745 54.840 0.157 0.000 0.854 60 L CB 0.543 42.734 42.059 0.221 0.000 1.078 60 L HN -0.011 nan 8.230 nan 0.000 0.480 61 A N -1.202 121.803 122.820 0.308 0.000 2.567 61 A HA 0.571 5.200 4.320 0.515 0.000 0.291 61 A C -2.799 174.914 177.584 0.215 0.000 1.048 61 A CA -0.866 51.321 52.037 0.251 0.000 0.661 61 A CB 0.161 19.305 19.000 0.240 0.000 1.288 61 A HN -0.229 nan 8.150 nan 0.000 0.424 62 P HA 0.292 nan 4.420 nan 0.000 0.264 62 P C -0.763 176.527 177.300 -0.018 0.000 1.183 62 P CA 0.231 63.323 63.100 -0.012 0.000 0.763 62 P CB 0.490 32.161 31.700 -0.048 0.000 0.807 63 V N 4.845 124.680 119.914 -0.130 0.000 2.540 63 V HA 0.318 4.747 4.120 0.515 0.000 0.302 63 V C -0.170 175.755 176.094 -0.281 0.000 1.035 63 V CA -0.494 61.748 62.300 -0.096 0.000 0.873 63 V CB 1.427 33.244 31.823 -0.010 0.000 0.992 63 V HN 0.579 nan 8.190 nan 0.000 0.428 64 H N 4.483 123.579 119.070 0.043 0.000 2.495 64 H HA 0.576 5.439 4.556 0.511 0.000 0.348 64 H C -0.665 174.663 175.328 0.000 0.000 1.113 64 H CA -0.507 55.555 56.048 0.023 0.000 1.195 64 H CB 2.333 32.109 29.762 0.023 0.000 1.521 64 H HN 0.478 nan 8.280 nan 0.000 0.509 65 I N 4.005 124.643 120.570 0.113 0.000 2.336 65 I HA 0.107 4.586 4.170 0.515 0.000 0.292 65 I C -0.595 175.550 176.117 0.047 0.000 0.991 65 I CA -0.681 60.639 61.300 0.034 0.000 1.227 65 I CB 0.996 38.977 38.000 -0.031 0.000 1.366 65 I HN 0.112 nan 8.210 nan 0.000 0.466 66 L N 7.528 128.774 121.223 0.039 0.000 2.343 66 L HA 0.489 5.138 4.340 0.515 0.000 0.278 66 L C -0.048 176.870 176.870 0.080 0.000 0.996 66 L CA -0.271 54.602 54.840 0.055 0.000 0.831 66 L CB 1.228 43.321 42.059 0.056 0.000 1.232 66 L HN 0.486 nan 8.230 nan 0.000 0.413 67 R N 3.168 123.708 120.500 0.067 0.000 2.758 67 R HA 0.830 5.479 4.340 0.515 0.000 0.265 67 R C -1.010 175.380 176.300 0.150 0.000 1.016 67 R CA -0.716 55.413 56.100 0.048 0.000 1.040 67 R CB 2.124 32.404 30.300 -0.034 0.000 1.152 67 R HN 0.501 nan 8.270 nan 0.000 0.503 68 F N -1.772 118.146 119.950 -0.054 0.000 2.668 68 F HA 0.304 4.801 4.527 -0.050 0.000 0.309 68 F C -0.780 174.944 175.800 -0.127 0.000 1.117 68 F CA -1.589 56.368 58.000 -0.072 0.000 0.951 68 F CB 1.284 40.262 39.000 -0.037 0.000 1.323 68 F HN 0.223 nan 8.300 nan 0.000 0.451 69 Q N 2.241 121.999 119.800 -0.069 0.000 2.244 69 Q HA 0.457 5.106 4.340 0.515 0.000 0.278 69 Q C 0.323 176.156 176.000 -0.279 0.000 1.093 69 Q CA 0.751 56.327 55.803 -0.379 0.000 0.916 69 Q CB 0.745 28.888 28.738 -0.992 0.000 1.159 69 Q HN 1.004 nan 8.270 nan 0.000 0.384 70 G N 2.399 111.004 108.800 -0.325 0.000 2.683 70 G HA2 0.511 4.780 3.960 0.515 0.000 0.260 70 G HA3 0.511 4.780 3.960 0.515 0.000 0.260 70 G C -0.125 174.768 174.900 -0.012 0.000 1.238 70 G CA -0.065 44.915 45.100 -0.201 0.000 0.934 70 G HN 1.223 nan 8.290 nan 0.000 0.534 71 G N -1.343 107.490 108.800 0.056 0.000 2.911 71 G HA2 0.008 4.277 3.960 0.515 0.000 0.686 71 G HA3 0.008 4.277 3.960 0.515 0.000 0.686 71 G C 0.279 175.281 174.900 0.170 0.000 1.136 71 G CA 0.511 45.679 45.100 0.114 0.000 0.764 71 G HN 0.797 nan 8.290 nan 0.000 0.626 72 E N 0.582 120.851 120.200 0.114 0.000 2.171 72 E HA -0.106 4.553 4.350 0.515 0.000 0.197 72 E C 2.265 178.921 176.600 0.094 0.000 0.997 72 E CA 2.378 58.834 56.400 0.094 0.000 0.810 72 E CB 0.015 29.752 29.700 0.062 0.000 0.738 72 E HN 0.700 nan 8.360 nan 0.000 0.467 73 E N -1.092 119.176 120.200 0.113 0.000 2.160 73 E HA -0.178 4.481 4.350 0.515 0.000 0.195 73 E C 1.074 177.631 176.600 -0.072 0.000 0.991 73 E CA 1.138 57.555 56.400 0.028 0.000 0.810 73 E CB -0.382 29.349 29.700 0.051 0.000 0.742 73 E HN 0.442 nan 8.360 nan 0.000 0.466 74 Y N 0.152 120.486 120.300 0.056 0.000 2.468 74 Y HA 0.217 5.096 4.550 0.548 0.000 0.268 74 Y C 0.490 176.422 175.900 0.052 0.000 1.177 74 Y CA -0.155 57.987 58.100 0.070 0.000 1.265 74 Y CB 0.404 38.947 38.460 0.139 0.000 1.103 74 Y HN -0.185 nan 8.280 nan 0.000 0.522 75 K N 2.281 122.760 120.400 0.131 0.000 2.187 75 K HA 0.142 4.771 4.320 0.515 0.000 0.242 75 K C -0.282 176.302 176.600 -0.027 0.000 1.179 75 K CA 0.039 56.358 56.287 0.052 0.000 1.097 75 K CB -0.380 32.152 32.500 0.052 0.000 1.634 75 K HN 0.232 nan 8.250 nan 0.000 0.335 76 T N -1.938 112.581 114.554 -0.059 0.000 2.865 76 T HA 0.277 4.936 4.350 0.515 0.000 0.294 76 T C 1.066 175.702 174.700 -0.107 0.000 1.119 76 T CA -0.998 61.051 62.100 -0.085 0.000 1.007 76 T CB 0.904 69.718 68.868 -0.091 0.000 1.225 76 T HN 0.232 nan 8.240 nan 0.000 0.515 77 L N 0.878 122.041 121.223 -0.100 0.000 2.201 77 L HA -0.031 4.618 4.340 0.515 0.000 0.212 77 L C 2.975 179.790 176.870 -0.093 0.000 1.105 77 L CA 1.420 56.200 54.840 -0.101 0.000 0.775 77 L CB -0.454 41.556 42.059 -0.083 0.000 0.913 77 L HN 0.928 nan 8.230 nan 0.000 0.440 78 S N -0.737 114.914 115.700 -0.082 0.000 2.368 78 S HA -0.195 4.584 4.470 0.515 0.000 0.225 78 S C 1.949 176.509 174.600 -0.067 0.000 1.030 78 S CA 2.090 60.250 58.200 -0.067 0.000 0.999 78 S CB -0.124 63.038 63.200 -0.063 0.000 0.844 78 S HN 0.424 nan 8.310 nan 0.000 0.459 79 T N 1.664 116.173 114.554 -0.074 0.000 2.788 79 T HA -0.042 4.617 4.350 0.515 0.000 0.268 79 T C 1.834 176.424 174.700 -0.182 0.000 1.044 79 T CA 1.411 63.455 62.100 -0.092 0.000 1.139 79 T CB -0.463 68.345 68.868 -0.100 0.000 0.867 79 T HN 0.269 nan 8.240 nan 0.000 0.454 80 V N 1.646 121.445 119.914 -0.192 0.000 2.295 80 V HA -0.208 4.221 4.120 0.515 0.000 0.246 80 V C 2.799 178.807 176.094 -0.143 0.000 1.049 80 V CA 2.115 64.298 62.300 -0.195 0.000 1.024 80 V CB -1.240 30.482 31.823 -0.168 0.000 0.648 80 V HN 0.517 nan 8.190 nan 0.000 0.447 81 T N 0.279 114.766 114.554 -0.111 0.000 2.665 81 T HA -0.246 4.413 4.350 0.515 0.000 0.268 81 T C 1.740 176.391 174.700 -0.082 0.000 1.035 81 T CA 2.154 64.199 62.100 -0.091 0.000 1.151 81 T CB -0.510 68.314 68.868 -0.072 0.000 0.862 81 T HN 0.510 nan 8.240 nan 0.000 0.438 82 N N 0.735 119.393 118.700 -0.070 0.000 2.149 82 N HA 0.019 5.068 4.740 0.515 0.000 0.188 82 N C 1.726 177.201 175.510 -0.058 0.000 1.019 82 N CA 0.801 53.822 53.050 -0.049 0.000 0.857 82 N CB -0.392 38.083 38.487 -0.020 0.000 0.997 82 N HN 0.305 nan 8.380 nan 0.000 0.426 83 L N 0.405 121.575 121.223 -0.088 0.000 2.093 83 L HA -0.154 4.495 4.340 0.515 0.000 0.208 83 L C 2.176 178.997 176.870 -0.082 0.000 1.085 83 L CA 1.095 55.885 54.840 -0.084 0.000 0.755 83 L CB -0.326 41.652 42.059 -0.135 0.000 0.904 83 L HN 0.263 nan 8.230 nan 0.000 0.435 84 Q N -0.310 119.429 119.800 -0.102 0.000 2.119 84 Q HA -0.188 4.461 4.340 0.515 0.000 0.201 84 Q C 2.092 178.032 176.000 -0.100 0.000 0.972 84 Q CA 1.284 57.017 55.803 -0.116 0.000 0.847 84 Q CB -0.009 28.644 28.738 -0.142 0.000 0.903 84 Q HN 0.536 nan 8.270 nan 0.000 0.433 85 E N 0.676 120.828 120.200 -0.080 0.000 2.072 85 E HA -0.158 4.501 4.350 0.515 0.000 0.191 85 E C 2.042 178.612 176.600 -0.050 0.000 0.985 85 E CA 0.734 57.097 56.400 -0.063 0.000 0.801 85 E CB -0.098 29.573 29.700 -0.049 0.000 0.750 85 E HN 0.294 nan 8.360 nan 0.000 0.452 86 R N 0.769 121.241 120.500 -0.046 0.000 2.081 86 R HA -0.074 4.575 4.340 0.515 0.000 0.235 86 R C 2.426 178.697 176.300 -0.048 0.000 1.131 86 R CA 1.159 57.235 56.100 -0.041 0.000 0.960 86 R CB -0.333 29.949 30.300 -0.029 0.000 0.856 86 R HN 0.108 nan 8.270 nan 0.000 0.436 87 A N 1.322 124.116 122.820 -0.044 0.000 1.902 87 A HA -0.141 4.488 4.320 0.515 0.000 0.217 87 A C 2.046 179.621 177.584 -0.016 0.000 1.181 87 A CA 1.154 53.174 52.037 -0.029 0.000 0.623 87 A CB -0.337 18.646 19.000 -0.028 0.000 0.818 87 A HN 0.091 nan 8.150 nan 0.000 0.443 88 I N 0.003 120.558 120.570 -0.025 0.000 2.252 88 I HA -0.213 4.266 4.170 0.515 0.000 0.245 88 I C 2.886 179.002 176.117 -0.001 0.000 1.102 88 I CA 1.407 62.709 61.300 0.004 0.000 1.385 88 I CB -1.592 36.394 38.000 -0.023 0.000 1.064 88 I HN 0.360 nan 8.210 nan 0.000 0.414 89 A N 0.396 123.200 122.820 -0.027 0.000 2.070 89 A HA -0.108 4.521 4.320 0.515 0.000 0.220 89 A C 2.161 179.710 177.584 -0.058 0.000 1.159 89 A CA 1.080 53.096 52.037 -0.035 0.000 0.656 89 A CB -0.694 18.282 19.000 -0.041 0.000 0.800 89 A HN 0.452 nan 8.150 nan 0.000 0.453 90 L N -1.095 120.077 121.223 -0.084 0.000 2.611 90 L HA 0.256 4.905 4.340 0.515 0.000 0.229 90 L C 1.364 178.198 176.870 -0.060 0.000 1.137 90 L CA 0.435 55.179 54.840 -0.160 0.000 0.901 90 L CB -0.054 41.822 42.059 -0.306 0.000 1.098 90 L HN 0.527 nan 8.230 nan 0.000 0.456 91 G N 0.538 109.336 108.800 -0.004 0.000 2.182 91 G HA2 -0.234 4.035 3.960 0.515 0.000 0.248 91 G HA3 -0.234 4.035 3.960 0.515 0.000 0.248 91 G C 0.338 175.281 174.900 0.071 0.000 1.042 91 G CA 0.005 45.128 45.100 0.037 0.000 0.775 91 G HN 0.481 nan 8.290 nan 0.000 0.501 92 A N -0.105 122.774 122.820 0.098 0.000 2.462 92 A HA 0.662 5.291 4.320 0.515 0.000 0.243 92 A C 0.603 178.328 177.584 0.235 0.000 1.076 92 A CA 0.935 53.063 52.037 0.152 0.000 0.773 92 A CB 0.330 19.422 19.000 0.154 0.000 1.010 92 A HN 1.794 nan 8.150 nan 0.000 0.493 93 N N 0.281 119.064 118.700 0.138 0.000 3.418 93 N HA 0.321 5.370 4.740 0.515 0.000 0.316 93 N C 0.068 175.446 175.510 -0.220 0.000 1.601 93 N CA -0.870 52.082 53.050 -0.164 0.000 0.805 93 N CB 0.427 38.804 38.487 -0.183 0.000 1.873 93 N HN 0.367 nan 8.380 nan 0.000 0.615 94 R N -1.170 119.055 120.500 -0.459 0.000 2.285 94 R HA 0.129 4.778 4.340 0.515 0.000 0.213 94 R C 0.556 176.851 176.300 -0.009 0.000 1.068 94 R CA 0.843 56.815 56.100 -0.213 0.000 1.004 94 R CB -0.181 29.968 30.300 -0.252 0.000 0.873 94 R HN 0.337 nan 8.270 nan 0.000 0.467 95 R N -0.468 120.030 120.500 -0.004 0.000 2.334 95 R HA 0.127 4.776 4.340 0.515 0.000 0.216 95 R C 0.003 176.404 176.300 0.169 0.000 0.905 95 R CA 0.353 56.504 56.100 0.085 0.000 1.064 95 R CB 0.483 30.794 30.300 0.019 0.000 1.046 95 R HN -0.044 nan 8.270 nan 0.000 0.508 96 T N 0.393 115.003 114.554 0.093 0.000 2.909 96 T HA 0.619 5.279 4.350 0.515 0.000 0.289 96 T C -0.256 174.399 174.700 -0.075 0.000 1.005 96 T CA -0.329 61.780 62.100 0.015 0.000 1.084 96 T CB 1.536 70.428 68.868 0.041 0.000 0.975 96 T HN 0.198 nan 8.240 nan 0.000 0.509 97 A N 3.210 125.830 122.820 -0.333 0.000 2.342 97 A HA 0.703 5.332 4.320 0.515 0.000 0.323 97 A C -0.547 176.897 177.584 -0.232 0.000 1.125 97 A CA -0.738 50.995 52.037 -0.507 0.000 0.785 97 A CB 0.661 18.920 19.000 -1.235 0.000 1.221 97 A HN 0.691 nan 8.150 nan 0.000 0.463 98 I N 3.051 123.523 120.570 -0.163 0.000 2.325 98 I HA 0.257 4.736 4.170 0.515 0.000 0.291 98 I C -0.368 175.662 176.117 -0.145 0.000 1.019 98 I CA -0.265 60.968 61.300 -0.112 0.000 1.302 98 I CB 1.102 39.052 38.000 -0.082 0.000 1.401 98 I HN 0.285 nan 8.210 nan 0.000 0.485 99 V N 6.428 126.246 119.914 -0.161 0.000 2.311 99 V HA 0.462 4.891 4.120 0.515 0.000 0.275 99 V C 0.586 176.605 176.094 -0.125 0.000 1.022 99 V CA -0.812 61.353 62.300 -0.226 0.000 0.830 99 V CB 1.257 32.773 31.823 -0.512 0.000 1.012 99 V HN 0.829 nan 8.190 nan 0.000 0.452 100 A N 5.297 128.084 122.820 -0.055 0.000 2.279 100 A HA 0.660 5.289 4.320 0.515 0.000 0.306 100 A C -0.272 177.361 177.584 0.080 0.000 1.300 100 A CA -0.310 51.757 52.037 0.050 0.000 0.925 100 A CB 0.408 19.497 19.000 0.148 0.000 1.152 100 A HN 0.682 nan 8.150 nan 0.000 0.544 101 V N 3.458 123.401 119.914 0.048 0.000 2.294 101 V HA 0.740 5.169 4.120 0.515 0.000 0.272 101 V C 0.783 176.903 176.094 0.044 0.000 1.027 101 V CA 0.730 63.062 62.300 0.054 0.000 0.823 101 V CB -0.013 31.827 31.823 0.028 0.000 1.030 101 V HN 1.443 nan 8.190 nan 0.000 0.457 102 G N 3.415 112.247 108.800 0.052 0.000 2.404 102 G HA2 0.503 4.772 3.960 0.515 0.000 0.253 102 G HA3 0.503 4.772 3.960 0.515 0.000 0.253 102 G C -0.114 174.798 174.900 0.019 0.000 1.253 102 G CA 0.108 45.224 45.100 0.026 0.000 0.917 102 G HN 0.850 nan 8.290 nan 0.000 0.480 103 G N -1.101 107.701 108.800 0.004 0.000 2.773 103 G HA2 0.548 4.817 3.960 0.515 0.000 0.186 103 G HA3 0.548 4.817 3.960 0.515 0.000 0.186 103 G C 1.434 176.316 174.900 -0.030 0.000 1.411 103 G CA 0.706 45.799 45.100 -0.012 0.000 1.054 103 G HN 1.662 nan 8.290 nan 0.000 0.579 104 G N -0.409 108.366 108.800 -0.043 0.000 2.418 104 G HA2 -0.122 4.147 3.960 0.515 0.000 0.217 104 G HA3 -0.122 4.147 3.960 0.515 0.000 0.217 104 G C 1.772 176.660 174.900 -0.020 0.000 1.158 104 G CA 1.361 46.425 45.100 -0.061 0.000 0.771 104 G HN 0.491 nan 8.290 nan 0.000 0.545 105 L N 0.829 122.063 121.223 0.018 0.000 1.989 105 L HA -0.037 4.613 4.340 0.515 0.000 0.211 105 L C 2.755 179.722 176.870 0.161 0.000 1.071 105 L CA 2.877 57.765 54.840 0.080 0.000 0.749 105 L CB -1.120 40.998 42.059 0.098 0.000 0.890 105 L HN 0.152 nan 8.230 nan 0.000 0.431 106 T N -0.258 114.398 114.554 0.170 0.000 2.821 106 T HA -0.060 4.599 4.350 0.515 0.000 0.267 106 T C 1.682 176.478 174.700 0.160 0.000 1.046 106 T CA 1.142 63.396 62.100 0.256 0.000 1.139 106 T CB -0.862 68.101 68.868 0.158 0.000 0.871 106 T HN 0.643 nan 8.240 nan 0.000 0.454 107 G N 1.487 110.338 108.800 0.085 0.000 2.446 107 G HA2 -0.262 4.007 3.960 0.515 0.000 0.217 107 G HA3 -0.262 4.007 3.960 0.515 0.000 0.217 107 G C 1.551 176.501 174.900 0.083 0.000 1.168 107 G CA 1.054 46.205 45.100 0.085 0.000 0.771 107 G HN 0.476 nan 8.290 nan 0.000 0.551 108 N N -0.283 118.419 118.700 0.003 0.000 2.142 108 N HA -0.058 4.991 4.740 0.515 0.000 0.186 108 N C 2.222 177.682 175.510 -0.085 0.000 1.023 108 N CA 1.110 54.127 53.050 -0.055 0.000 0.852 108 N CB -0.110 38.327 38.487 -0.083 0.000 0.998 108 N HN 0.179 nan 8.380 nan 0.000 0.424 109 V N 0.873 120.748 119.914 -0.066 0.000 2.307 109 V HA -0.192 4.237 4.120 0.515 0.000 0.245 109 V C 2.233 178.232 176.094 -0.158 0.000 1.045 109 V CA 1.934 64.129 62.300 -0.174 0.000 1.024 109 V CB -0.901 30.715 31.823 -0.346 0.000 0.651 109 V HN 0.370 nan 8.190 nan 0.000 0.449 110 A N 0.361 123.143 122.820 -0.063 0.000 1.930 110 A HA -0.046 4.583 4.320 0.515 0.000 0.217 110 A C 2.397 179.948 177.584 -0.056 0.000 1.175 110 A CA 1.795 53.803 52.037 -0.049 0.000 0.627 110 A CB -1.146 17.863 19.000 0.015 0.000 0.815 110 A HN 0.526 nan 8.150 nan 0.000 0.443 111 G N -0.465 108.325 108.800 -0.017 0.000 2.421 111 G HA2 -0.134 4.135 3.960 0.515 0.000 0.216 111 G HA3 -0.134 4.135 3.960 0.515 0.000 0.216 111 G C 1.494 176.363 174.900 -0.052 0.000 1.171 111 G CA 1.294 46.396 45.100 0.004 0.000 0.775 111 G HN 0.317 nan 8.290 nan 0.000 0.543 112 V N 1.430 121.258 119.914 -0.144 0.000 2.427 112 V HA -0.074 4.355 4.120 0.515 0.000 0.248 112 V C 3.278 179.350 176.094 -0.037 0.000 1.051 112 V CA 1.862 64.055 62.300 -0.179 0.000 1.048 112 V CB -0.689 30.942 31.823 -0.320 0.000 0.666 112 V HN 0.487 nan 8.190 nan 0.000 0.456 113 A N 0.207 122.963 122.820 -0.108 0.000 1.858 113 A HA -0.113 4.516 4.320 0.515 0.000 0.216 113 A C 2.437 179.942 177.584 -0.132 0.000 1.190 113 A CA 2.116 54.082 52.037 -0.118 0.000 0.617 113 A CB -0.861 18.059 19.000 -0.133 0.000 0.827 113 A HN 0.550 nan 8.150 nan 0.000 0.443 114 A N -0.600 122.135 122.820 -0.142 0.000 1.933 114 A HA 0.142 4.771 4.320 0.515 0.000 0.218 114 A C 2.382 179.744 177.584 -0.371 0.000 1.175 114 A CA 1.848 53.788 52.037 -0.163 0.000 0.628 114 A CB -1.352 17.597 19.000 -0.084 0.000 0.814 114 A HN 0.785 nan 8.150 nan 0.000 0.444 115 G N -1.012 107.403 108.800 -0.642 0.000 2.448 115 G HA2 -0.129 4.140 3.960 0.515 0.000 0.219 115 G HA3 -0.129 4.140 3.960 0.515 0.000 0.219 115 G C 1.511 176.064 174.900 -0.579 0.000 1.127 115 G CA 1.136 45.532 45.100 -1.173 0.000 0.766 115 G HN 0.499 nan 8.290 nan 0.000 0.552 116 M N -0.357 119.085 119.600 -0.263 0.000 2.534 116 M HA 0.332 5.121 4.480 0.515 0.000 0.263 116 M C 0.832 177.019 176.300 -0.189 0.000 1.152 116 M CA 0.093 55.279 55.300 -0.189 0.000 1.145 116 M CB 0.244 32.802 32.600 -0.070 0.000 1.333 116 M HN 0.036 nan 8.290 nan 0.000 0.477 117 M N 1.509 120.982 119.600 -0.211 0.000 2.356 117 M HA -0.000 4.789 4.480 0.515 0.000 0.348 117 M C -0.483 175.700 176.300 -0.194 0.000 1.595 117 M CA 0.771 55.867 55.300 -0.339 0.000 1.095 117 M CB -0.409 32.003 32.600 -0.313 0.000 1.963 117 M HN 0.263 nan 8.290 nan 0.000 0.459 118 F N 1.294 121.222 119.950 -0.037 0.000 3.084 118 F HA -0.346 4.492 4.527 0.518 0.000 0.286 118 F C 0.811 176.596 175.800 -0.025 0.000 0.855 118 F CA 0.423 58.410 58.000 -0.022 0.000 1.091 118 F CB -1.781 37.215 39.000 -0.006 0.000 1.177 118 F HN 0.779 nan 8.300 nan 0.000 0.542 119 R N -1.845 118.676 120.500 0.036 0.000 3.776 119 R HA -0.096 4.553 4.340 0.515 0.000 0.312 119 R C 0.556 176.863 176.300 0.012 0.000 1.181 119 R CA 0.796 56.890 56.100 -0.009 0.000 0.836 119 R CB -2.052 28.260 30.300 0.021 0.000 1.324 119 R HN 1.474 nan 8.270 nan 0.000 0.501 120 G N 0.508 109.322 108.800 0.023 0.000 3.220 120 G HA2 0.130 4.399 3.960 0.515 0.000 0.636 120 G HA3 0.130 4.399 3.960 0.515 0.000 0.636 120 G C -0.274 174.754 174.900 0.215 0.000 1.226 120 G CA -0.383 44.773 45.100 0.093 0.000 1.177 120 G HN 0.342 nan 8.290 nan 0.000 0.527 121 I N 0.068 120.759 120.570 0.202 0.000 3.170 121 I HA 0.950 5.429 4.170 0.515 0.000 0.312 121 I C 0.762 177.021 176.117 0.237 0.000 1.085 121 I CA -1.411 60.021 61.300 0.220 0.000 0.999 121 I CB 2.022 40.142 38.000 0.200 0.000 1.233 121 I HN 1.095 nan 8.210 nan 0.000 0.467 122 A N 3.276 126.208 122.820 0.187 0.000 2.540 122 A HA 0.368 4.997 4.320 0.515 0.000 0.239 122 A C -0.394 177.206 177.584 0.026 0.000 1.061 122 A CA 0.012 52.128 52.037 0.133 0.000 0.758 122 A CB 0.077 19.144 19.000 0.112 0.000 0.991 122 A HN 0.703 nan 8.150 nan 0.000 0.502 123 L N 4.054 125.299 121.223 0.037 0.000 2.349 123 L HA 0.621 5.270 4.340 0.515 0.000 0.278 123 L C -1.163 175.605 176.870 -0.170 0.000 0.996 123 L CA -0.522 54.268 54.840 -0.083 0.000 0.825 123 L CB 1.104 43.143 42.059 -0.034 0.000 1.243 123 L HN 0.678 nan 8.230 nan 0.000 0.412 124 I N 3.667 124.127 120.570 -0.183 0.000 2.436 124 I HA 0.315 4.794 4.170 0.515 0.000 0.289 124 I C -0.781 175.254 176.117 -0.137 0.000 1.010 124 I CA -0.602 60.664 61.300 -0.056 0.000 1.098 124 I CB 1.928 40.018 38.000 0.150 0.000 1.266 124 I HN 0.602 nan 8.210 nan 0.000 0.434 125 H N 4.562 123.626 119.070 -0.011 0.000 2.458 125 H HA 0.503 5.364 4.556 0.510 0.000 0.330 125 H C -0.686 174.684 175.328 0.070 0.000 1.111 125 H CA -0.644 55.381 56.048 -0.038 0.000 1.245 125 H CB 2.054 31.714 29.762 -0.170 0.000 1.456 125 H HN 0.223 nan 8.280 nan 0.000 0.488 126 V N 5.380 125.434 119.914 0.233 0.000 2.383 126 V HA 0.188 4.617 4.120 0.515 0.000 0.261 126 V C -2.427 173.760 176.094 0.156 0.000 0.987 126 V CA -1.725 60.720 62.300 0.242 0.000 0.853 126 V CB 0.407 32.381 31.823 0.251 0.000 1.095 126 V HN 0.663 nan 8.190 nan 0.000 0.461 127 P HA 0.138 nan 4.420 nan 0.000 0.267 127 P C 1.019 178.378 177.300 0.100 0.000 1.205 127 P CA 0.343 63.474 63.100 0.051 0.000 0.765 127 P CB 0.671 32.370 31.700 -0.003 0.000 0.828 128 T N -1.719 112.883 114.554 0.080 0.000 3.023 128 T HA 0.120 4.779 4.350 0.515 0.000 0.253 128 T C 0.575 175.333 174.700 0.097 0.000 1.038 128 T CA 0.085 62.241 62.100 0.094 0.000 0.962 128 T CB -0.461 68.452 68.868 0.074 0.000 1.018 128 T HN 0.475 nan 8.240 nan 0.000 0.521 129 T N -1.244 113.362 114.554 0.086 0.000 2.885 129 T HA 0.569 5.228 4.350 0.515 0.000 0.285 129 T C 0.392 175.181 174.700 0.149 0.000 1.019 129 T CA -0.926 61.240 62.100 0.111 0.000 1.010 129 T CB 1.456 70.366 68.868 0.070 0.000 1.022 129 T HN -0.062 nan 8.240 nan 0.000 0.466 130 F N 1.973 121.956 119.950 0.056 0.000 2.161 130 F HA 0.013 4.849 4.527 0.514 0.000 0.300 130 F C 1.761 177.589 175.800 0.048 0.000 1.089 130 F CA 1.050 59.087 58.000 0.062 0.000 1.282 130 F CB -0.487 38.558 39.000 0.075 0.000 1.010 130 F HN 0.578 nan 8.300 nan 0.000 0.485 131 L N 0.499 121.699 121.223 -0.038 0.000 2.083 131 L HA -0.023 4.626 4.340 0.515 0.000 0.209 131 L C 2.352 179.133 176.870 -0.149 0.000 1.083 131 L CA 2.115 56.884 54.840 -0.119 0.000 0.752 131 L CB -1.287 40.776 42.059 0.006 0.000 0.899 131 L HN 0.109 nan 8.230 nan 0.000 0.433 132 A N -0.662 122.098 122.820 -0.100 0.000 1.897 132 A HA 0.066 4.695 4.320 0.515 0.000 0.215 132 A C 2.407 179.907 177.584 -0.140 0.000 1.181 132 A CA 1.320 53.284 52.037 -0.122 0.000 0.620 132 A CB -1.038 17.904 19.000 -0.096 0.000 0.821 132 A HN 0.531 nan 8.150 nan 0.000 0.443 133 A N 0.078 122.839 122.820 -0.099 0.000 1.969 133 A HA -0.006 4.623 4.320 0.515 0.000 0.218 133 A C 2.276 179.830 177.584 -0.049 0.000 1.169 133 A CA 2.081 54.108 52.037 -0.018 0.000 0.635 133 A CB -0.542 18.517 19.000 0.099 0.000 0.810 133 A HN 0.987 nan 8.150 nan 0.000 0.445 134 S N -2.621 112.895 115.700 -0.306 0.000 2.539 134 S HA 0.196 4.975 4.470 0.515 0.000 0.221 134 S C 0.806 175.264 174.600 -0.236 0.000 0.987 134 S CA 0.642 58.633 58.200 -0.348 0.000 0.929 134 S CB 0.288 63.028 63.200 -0.767 0.000 0.832 134 S HN 0.459 nan 8.310 nan 0.000 0.492 135 D N 1.560 121.847 120.400 -0.189 0.000 2.846 135 D HA 0.060 5.009 4.640 0.515 0.000 0.200 135 D C 1.894 178.127 176.300 -0.112 0.000 1.421 135 D CA 1.291 55.209 54.000 -0.137 0.000 1.400 135 D CB -0.224 40.515 40.800 -0.102 0.000 1.461 135 D HN 0.274 nan 8.370 nan 0.000 0.352 136 S N 0.524 116.150 115.700 -0.124 0.000 2.399 136 S HA -0.146 4.633 4.470 0.515 0.000 0.231 136 S C 2.092 176.587 174.600 -0.175 0.000 1.022 136 S CA 1.741 59.859 58.200 -0.138 0.000 0.983 136 S CB -1.000 62.109 63.200 -0.152 0.000 0.803 136 S HN 0.323 nan 8.310 nan 0.000 0.480 137 V N -1.101 118.684 119.914 -0.216 0.000 3.510 137 V HA 0.371 4.800 4.120 0.515 0.000 0.270 137 V C 1.106 177.164 176.094 -0.060 0.000 1.201 137 V CA 0.618 62.750 62.300 -0.280 0.000 1.166 137 V CB -1.056 30.521 31.823 -0.410 0.000 0.825 137 V HN 0.505 nan 8.190 nan 0.000 0.484 138 L N 1.573 122.809 121.223 0.022 0.000 3.064 138 L HA 0.559 5.208 4.340 0.515 0.000 0.233 138 L C 0.280 177.291 176.870 0.235 0.000 1.333 138 L CA 0.263 55.218 54.840 0.193 0.000 1.140 138 L CB 0.206 42.305 42.059 0.068 0.000 1.519 138 L HN 0.410 nan 8.230 nan 0.000 0.493 139 S N 0.321 116.106 115.700 0.142 0.000 2.556 139 S HA 0.382 5.161 4.470 0.515 0.000 0.280 139 S C 0.096 174.579 174.600 -0.194 0.000 1.141 139 S CA -0.710 57.523 58.200 0.054 0.000 0.883 139 S CB 1.319 64.529 63.200 0.016 0.000 1.103 139 S HN 0.356 nan 8.310 nan 0.000 0.453 140 I N 0.497 120.885 120.570 -0.304 0.000 3.891 140 I HA 0.485 4.964 4.170 0.515 0.000 0.331 140 I C 0.183 176.308 176.117 0.013 0.000 1.406 140 I CA -0.572 60.588 61.300 -0.233 0.000 1.139 140 I CB -0.157 37.615 38.000 -0.379 0.000 1.056 140 I HN 0.266 nan 8.210 nan 0.000 0.399 141 K N 2.863 123.259 120.400 -0.006 0.000 2.368 141 K HA 0.292 4.921 4.320 0.515 0.000 0.282 141 K C -0.301 176.204 176.600 -0.158 0.000 1.035 141 K CA -0.137 56.068 56.287 -0.137 0.000 0.973 141 K CB 0.682 33.109 32.500 -0.121 0.000 0.957 141 K HN 0.260 nan 8.250 nan 0.000 0.474 142 Q N 1.151 120.802 119.800 -0.248 0.000 2.375 142 Q HA 0.733 5.382 4.340 0.515 0.000 0.271 142 Q C -1.098 174.652 176.000 -0.417 0.000 1.074 142 Q CA -0.845 54.784 55.803 -0.291 0.000 0.808 142 Q CB 2.439 30.978 28.738 -0.332 0.000 1.327 142 Q HN 0.731 nan 8.270 nan 0.000 0.441 143 A N 0.628 123.247 122.820 -0.336 0.000 2.583 143 A HA 0.713 5.342 4.320 0.515 0.000 0.292 143 A C -1.131 176.323 177.584 -0.216 0.000 1.045 143 A CA -0.391 51.462 52.037 -0.307 0.000 0.672 143 A CB 0.875 19.733 19.000 -0.238 0.000 1.283 143 A HN 0.591 nan 8.150 nan 0.000 0.419 144 V N -0.975 118.825 119.914 -0.190 0.000 3.158 144 V HA 0.805 5.234 4.120 0.515 0.000 0.311 144 V C -0.637 175.400 176.094 -0.095 0.000 1.181 144 V CA -1.281 60.941 62.300 -0.130 0.000 1.054 144 V CB 1.968 33.708 31.823 -0.138 0.000 1.085 144 V HN 0.868 nan 8.190 nan 0.000 0.446 145 N N 0.458 119.119 118.700 -0.065 0.000 2.477 145 N HA 0.725 5.774 4.740 0.515 0.000 0.284 145 N C -0.857 174.624 175.510 -0.049 0.000 1.182 145 N CA -0.479 52.545 53.050 -0.044 0.000 0.949 145 N CB 1.827 40.303 38.487 -0.018 0.000 1.204 145 N HN 0.694 nan 8.380 nan 0.000 0.526 146 L N -0.101 121.100 121.223 -0.037 0.000 2.304 146 L HA 0.359 5.008 4.340 0.515 0.000 0.268 146 L C 1.827 178.680 176.870 -0.029 0.000 1.010 146 L CA -0.673 54.144 54.840 -0.038 0.000 0.813 146 L CB 1.556 43.595 42.059 -0.033 0.000 1.315 146 L HN 0.713 nan 8.230 nan 0.000 0.445 147 T N -4.013 110.521 114.554 -0.033 0.000 3.007 147 T HA -0.102 4.557 4.350 0.515 0.000 0.270 147 T C 1.180 175.871 174.700 -0.015 0.000 1.107 147 T CA 1.116 63.200 62.100 -0.027 0.000 1.118 147 T CB -0.234 68.614 68.868 -0.033 0.000 0.889 147 T HN 0.624 nan 8.240 nan 0.000 0.506 148 S N -0.144 115.546 115.700 -0.016 0.000 2.582 148 S HA 0.609 5.388 4.470 0.515 0.000 0.234 148 S C 0.696 175.292 174.600 -0.006 0.000 0.961 148 S CA -0.235 57.956 58.200 -0.014 0.000 0.953 148 S CB 0.119 63.304 63.200 -0.025 0.000 0.800 148 S HN 1.032 nan 8.310 nan 0.000 0.471 149 G N 0.845 109.650 108.800 0.008 0.000 2.378 149 G HA2 0.273 4.542 3.960 0.515 0.000 0.302 149 G HA3 0.273 4.542 3.960 0.515 0.000 0.302 149 G C -1.594 173.325 174.900 0.031 0.000 1.669 149 G CA -1.144 43.973 45.100 0.029 0.000 0.920 149 G HN 0.172 nan 8.290 nan 0.000 0.697 150 K N 1.586 122.025 120.400 0.064 0.000 2.218 150 K HA 0.298 4.927 4.320 0.515 0.000 0.276 150 K C 0.316 176.929 176.600 0.021 0.000 1.022 150 K CA -0.579 55.738 56.287 0.051 0.000 0.946 150 K CB 0.551 33.110 32.500 0.098 0.000 1.000 150 K HN 0.537 nan 8.250 nan 0.000 0.468 151 N N 1.751 120.439 118.700 -0.021 0.000 2.727 151 N HA -0.217 4.833 4.740 0.515 0.000 0.249 151 N C 0.208 175.680 175.510 -0.062 0.000 1.048 151 N CA 0.599 53.612 53.050 -0.061 0.000 0.714 151 N CB -1.222 37.225 38.487 -0.067 0.000 0.959 151 N HN 0.583 nan 8.380 nan 0.000 0.544 152 L N -0.824 120.368 121.223 -0.051 0.000 2.446 152 L HA 0.074 4.723 4.340 0.515 0.000 0.219 152 L C 0.910 177.742 176.870 -0.064 0.000 1.116 152 L CA 0.482 55.296 54.840 -0.044 0.000 0.844 152 L CB 0.249 42.291 42.059 -0.028 0.000 0.970 152 L HN 0.199 nan 8.230 nan 0.000 0.457 153 V N -2.670 117.188 119.914 -0.094 0.000 2.531 153 V HA 0.994 5.423 4.120 0.515 0.000 0.301 153 V C -0.149 175.826 176.094 -0.199 0.000 1.034 153 V CA -0.190 62.044 62.300 -0.110 0.000 0.865 153 V CB 1.087 32.858 31.823 -0.088 0.000 0.995 153 V HN 0.134 nan 8.190 nan 0.000 0.424 154 G N 3.364 112.026 108.800 -0.230 0.000 2.356 154 G HA2 0.756 5.025 3.960 0.515 0.000 0.281 154 G HA3 0.756 5.025 3.960 0.515 0.000 0.281 154 G C -1.413 173.273 174.900 -0.356 0.000 1.246 154 G CA 0.152 44.954 45.100 -0.496 0.000 0.889 154 G HN 1.917 nan 8.290 nan 0.000 0.486 155 F N -2.824 117.015 119.950 -0.186 0.000 3.332 155 F HA 0.728 5.564 4.527 0.515 0.000 0.327 155 F C -2.116 173.531 175.800 -0.255 0.000 1.128 155 F CA -2.371 55.527 58.000 -0.170 0.000 0.854 155 F CB 0.474 39.471 39.000 -0.005 0.000 1.500 155 F HN 0.513 nan 8.300 nan 0.000 0.485 156 Y N 0.541 121.133 120.300 0.486 0.000 2.331 156 Y HA 0.621 5.482 4.550 0.518 0.000 0.338 156 Y C -1.148 175.011 175.900 0.432 0.000 0.992 156 Y CA -0.858 57.461 58.100 0.365 0.000 1.121 156 Y CB 1.502 40.178 38.460 0.361 0.000 1.184 156 Y HN 0.627 nan 8.280 nan 0.000 0.469 157 Y N 5.710 126.180 120.300 0.283 0.000 2.323 157 Y HA 0.383 5.244 4.550 0.518 0.000 0.322 157 Y C -2.897 173.020 175.900 0.028 0.000 1.133 157 Y CA -2.405 55.795 58.100 0.166 0.000 1.093 157 Y CB 2.014 40.628 38.460 0.256 0.000 1.203 157 Y HN 0.392 nan 8.280 nan 0.000 0.427 158 P HA 0.319 nan 4.420 nan 0.000 0.281 158 P C -2.920 174.156 177.300 -0.373 0.000 1.249 158 P CA -1.477 61.438 63.100 -0.310 0.000 0.810 158 P CB 1.642 33.230 31.700 -0.187 0.000 1.008 159 P HA 0.363 nan 4.420 nan 0.000 0.281 159 P C 0.397 177.504 177.300 -0.322 0.000 1.281 159 P CA -0.432 62.414 63.100 -0.422 0.000 0.811 159 P CB 1.626 32.947 31.700 -0.631 0.000 1.154 160 R N -0.920 119.483 120.500 -0.162 0.000 2.195 160 R HA 0.326 4.975 4.340 0.515 0.000 0.197 160 R C 0.055 176.144 176.300 -0.351 0.000 0.990 160 R CA 0.688 56.725 56.100 -0.105 0.000 1.048 160 R CB -0.096 30.323 30.300 0.199 0.000 0.997 160 R HN 0.490 nan 8.270 nan 0.000 0.502 161 F N -1.202 118.726 119.950 -0.038 0.000 2.654 161 F HA 0.416 5.251 4.527 0.513 0.000 0.308 161 F C -0.670 174.949 175.800 -0.301 0.000 1.108 161 F CA -1.065 56.873 58.000 -0.103 0.000 0.957 161 F CB 1.939 40.929 39.000 -0.018 0.000 1.309 161 F HN -0.470 nan 8.300 nan 0.000 0.446 162 V N 2.336 122.090 119.914 -0.266 0.000 2.686 162 V HA 0.523 4.952 4.120 0.515 0.000 0.306 162 V C -1.357 174.468 176.094 -0.449 0.000 1.065 162 V CA -0.973 61.114 62.300 -0.355 0.000 0.894 162 V CB 2.116 33.536 31.823 -0.673 0.000 1.004 162 V HN 0.547 nan 8.190 nan 0.000 0.424 163 F N 2.758 122.783 119.950 0.125 0.000 2.499 163 F HA 0.774 5.608 4.527 0.512 0.000 0.333 163 F C 0.338 176.275 175.800 0.228 0.000 1.138 163 F CA -0.617 57.493 58.000 0.184 0.000 0.945 163 F CB 2.042 41.110 39.000 0.114 0.000 1.181 163 F HN 0.535 nan 8.300 nan 0.000 0.435 164 A N 2.596 125.724 122.820 0.513 0.000 2.293 164 A HA 0.361 4.990 4.320 0.515 0.000 0.312 164 A C -0.855 176.943 177.584 0.356 0.000 1.309 164 A CA -0.621 51.676 52.037 0.433 0.000 0.839 164 A CB 0.353 19.675 19.000 0.536 0.000 1.155 164 A HN 0.634 nan 8.150 nan 0.000 0.501 165 D N 3.498 124.064 120.400 0.277 0.000 2.352 165 D HA 0.076 5.025 4.640 0.515 0.000 0.245 165 D C 1.463 177.862 176.300 0.166 0.000 1.224 165 D CA 0.655 54.781 54.000 0.209 0.000 0.879 165 D CB 0.973 41.905 40.800 0.220 0.000 1.057 165 D HN 0.561 nan 8.370 nan 0.000 0.491 166 T N 1.731 116.367 114.554 0.137 0.000 3.072 166 T HA -0.156 4.503 4.350 0.515 0.000 0.266 166 T C 1.749 176.473 174.700 0.041 0.000 1.127 166 T CA 0.575 62.740 62.100 0.107 0.000 1.107 166 T CB 0.155 69.084 68.868 0.101 0.000 0.910 166 T HN 0.334 nan 8.240 nan 0.000 0.513 167 R N 1.310 121.808 120.500 -0.004 0.000 2.062 167 R HA 0.182 4.831 4.340 0.515 0.000 0.229 167 R C 2.269 178.581 176.300 0.021 0.000 1.128 167 R CA 1.198 57.282 56.100 -0.025 0.000 0.960 167 R CB -0.754 29.503 30.300 -0.073 0.000 0.855 167 R HN 0.453 nan 8.270 nan 0.000 0.432 168 I N 0.666 121.263 120.570 0.044 0.000 2.226 168 I HA -0.280 4.199 4.170 0.515 0.000 0.245 168 I C 2.077 178.234 176.117 0.066 0.000 1.100 168 I CA 1.267 62.595 61.300 0.047 0.000 1.374 168 I CB -0.241 37.801 38.000 0.070 0.000 1.057 168 I HN 0.225 nan 8.210 nan 0.000 0.413 169 L N 0.343 121.624 121.223 0.097 0.000 2.083 169 L HA -0.192 4.457 4.340 0.515 0.000 0.209 169 L C 2.673 179.587 176.870 0.073 0.000 1.083 169 L CA 1.686 56.599 54.840 0.121 0.000 0.752 169 L CB -0.746 41.427 42.059 0.190 0.000 0.899 169 L HN 0.374 nan 8.230 nan 0.000 0.433 170 S N -1.046 114.681 115.700 0.044 0.000 2.555 170 S HA -0.109 4.670 4.470 0.515 0.000 0.230 170 S C 1.350 175.960 174.600 0.016 0.000 0.978 170 S CA 0.652 58.865 58.200 0.022 0.000 0.934 170 S CB -0.204 63.001 63.200 0.008 0.000 0.766 170 S HN 0.529 nan 8.310 nan 0.000 0.533 171 E N 1.720 121.933 120.200 0.022 0.000 2.498 171 E HA 0.137 4.797 4.350 0.515 0.000 0.203 171 E C 0.334 176.945 176.600 0.018 0.000 1.013 171 E CA 0.004 56.411 56.400 0.012 0.000 0.927 171 E CB 0.665 30.369 29.700 0.007 0.000 1.012 171 E HN 0.677 nan 8.360 nan 0.000 0.482 172 S N 1.868 117.588 115.700 0.034 0.000 2.600 172 S HA 0.231 5.010 4.470 0.515 0.000 0.265 172 S C -2.130 172.488 174.600 0.031 0.000 1.325 172 S CA -1.396 56.829 58.200 0.042 0.000 1.002 172 S CB 0.320 63.564 63.200 0.073 0.000 0.921 172 S HN -0.128 nan 8.310 nan 0.000 0.554 173 P HA 0.212 nan 4.420 nan 0.000 0.268 173 P C -2.162 175.151 177.300 0.023 0.000 1.204 173 P CA -1.215 61.896 63.100 0.019 0.000 0.768 173 P CB -0.067 31.644 31.700 0.018 0.000 0.842 174 P HA -0.166 nan 4.420 nan 0.000 0.216 174 P C 1.706 179.016 177.300 0.017 0.000 1.154 174 P CA 1.650 64.748 63.100 -0.004 0.000 0.865 174 P CB -0.073 31.609 31.700 -0.030 0.000 0.789 175 R N -0.438 120.072 120.500 0.017 0.000 2.152 175 R HA -0.162 4.487 4.340 0.515 0.000 0.232 175 R C 2.346 178.675 176.300 0.049 0.000 1.117 175 R CA 1.318 57.432 56.100 0.025 0.000 0.981 175 R CB -0.297 30.012 30.300 0.015 0.000 0.870 175 R HN 0.239 nan 8.270 nan 0.000 0.451 176 Q N -0.390 119.446 119.800 0.059 0.000 2.062 176 Q HA -0.085 4.564 4.340 0.515 0.000 0.196 176 Q C 2.004 178.089 176.000 0.142 0.000 0.967 176 Q CA 1.366 57.222 55.803 0.088 0.000 0.832 176 Q CB 0.256 29.043 28.738 0.082 0.000 0.899 176 Q HN 0.195 nan 8.270 nan 0.000 0.442 177 V N 1.477 121.471 119.914 0.134 0.000 2.287 177 V HA -0.320 4.109 4.120 0.515 0.000 0.248 177 V C 2.328 178.540 176.094 0.198 0.000 1.053 177 V CA 2.242 64.642 62.300 0.168 0.000 1.027 177 V CB -0.624 31.242 31.823 0.073 0.000 0.646 177 V HN 0.392 nan 8.190 nan 0.000 0.447 178 K N 0.614 121.087 120.400 0.122 0.000 2.074 178 K HA -0.216 4.413 4.320 0.515 0.000 0.209 178 K C 2.115 178.782 176.600 0.112 0.000 1.048 178 K CA 1.775 58.123 56.287 0.101 0.000 0.926 178 K CB -0.446 32.084 32.500 0.050 0.000 0.713 178 K HN 0.416 nan 8.250 nan 0.000 0.444 179 A N 0.455 123.344 122.820 0.114 0.000 1.940 179 A HA -0.077 4.552 4.320 0.515 0.000 0.219 179 A C 2.362 180.025 177.584 0.131 0.000 1.176 179 A CA 1.892 53.990 52.037 0.101 0.000 0.631 179 A CB -1.159 17.901 19.000 0.100 0.000 0.814 179 A HN 0.576 nan 8.150 nan 0.000 0.446 180 G N -1.580 107.347 108.800 0.212 0.000 2.430 180 G HA2 -0.051 4.218 3.960 0.515 0.000 0.216 180 G HA3 -0.051 4.218 3.960 0.515 0.000 0.216 180 G C 1.413 176.450 174.900 0.228 0.000 1.146 180 G CA 0.877 46.082 45.100 0.175 0.000 0.793 180 G HN 0.312 nan 8.290 nan 0.000 0.537 181 M N 0.527 120.303 119.600 0.294 0.000 2.296 181 M HA 0.004 4.793 4.480 0.515 0.000 0.265 181 M C 2.535 178.874 176.300 0.064 0.000 1.064 181 M CA 0.409 55.799 55.300 0.150 0.000 1.109 181 M CB -1.251 31.392 32.600 0.072 0.000 1.396 181 M HN 0.267 nan 8.290 nan 0.000 0.430 182 C N 0.417 119.757 119.300 0.066 0.000 2.440 182 C HA -0.093 4.676 4.460 0.515 0.000 0.278 182 C C 2.547 177.574 174.990 0.061 0.000 1.295 182 C CA 0.595 59.633 59.018 0.033 0.000 1.738 182 C CB -0.751 26.988 27.740 -0.001 0.000 1.987 182 C HN 0.513 nan 8.230 nan 0.000 0.492 183 E N 0.504 120.755 120.200 0.084 0.000 2.152 183 E HA -0.086 4.573 4.350 0.515 0.000 0.192 183 E C 2.033 178.707 176.600 0.124 0.000 0.983 183 E CA 0.515 56.986 56.400 0.119 0.000 0.818 183 E CB -0.470 29.293 29.700 0.104 0.000 0.758 183 E HN 0.685 nan 8.360 nan 0.000 0.467 184 L N 0.566 121.850 121.223 0.101 0.000 2.093 184 L HA -0.125 4.524 4.340 0.515 0.000 0.208 184 L C 2.241 179.232 176.870 0.201 0.000 1.085 184 L CA 0.767 55.701 54.840 0.156 0.000 0.755 184 L CB -0.009 42.083 42.059 0.055 0.000 0.904 184 L HN -0.099 nan 8.230 nan 0.000 0.435 185 V N 0.310 120.287 119.914 0.104 0.000 2.358 185 V HA -0.302 4.127 4.120 0.515 0.000 0.246 185 V C 2.594 178.761 176.094 0.122 0.000 1.047 185 V CA 2.095 64.446 62.300 0.085 0.000 1.035 185 V CB -0.677 31.162 31.823 0.027 0.000 0.658 185 V HN 0.499 nan 8.190 nan 0.000 0.452 186 K N 0.407 120.897 120.400 0.149 0.000 2.032 186 K HA -0.258 4.371 4.320 0.515 0.000 0.209 186 K C 2.035 178.753 176.600 0.195 0.000 1.048 186 K CA 2.035 58.445 56.287 0.205 0.000 0.927 186 K CB -0.249 32.403 32.500 0.253 0.000 0.712 186 K HN 0.439 nan 8.250 nan 0.000 0.441 187 N N 0.811 119.646 118.700 0.225 0.000 2.104 187 N HA -0.175 4.874 4.740 0.515 0.000 0.190 187 N C 1.833 177.496 175.510 0.255 0.000 1.024 187 N CA 1.656 54.842 53.050 0.226 0.000 0.853 187 N CB -0.250 38.335 38.487 0.163 0.000 1.008 187 N HN 0.340 nan 8.380 nan 0.000 0.424 188 M N 0.112 119.904 119.600 0.319 0.000 2.159 188 M HA -0.076 4.713 4.480 0.515 0.000 0.263 188 M C 1.872 178.232 176.300 0.100 0.000 1.063 188 M CA 1.160 56.609 55.300 0.249 0.000 1.110 188 M CB -0.205 32.485 32.600 0.149 0.000 1.374 188 M HN 0.069 nan 8.290 nan 0.000 0.411 189 L N 0.019 121.267 121.223 0.041 0.000 2.179 189 L HA -0.067 4.582 4.340 0.515 0.000 0.208 189 L C 2.358 179.161 176.870 -0.112 0.000 1.096 189 L CA 0.676 55.478 54.840 -0.062 0.000 0.779 189 L CB -0.472 41.503 42.059 -0.139 0.000 0.922 189 L HN 0.379 nan 8.230 nan 0.000 0.443 190 I N -3.120 117.379 120.570 -0.119 0.000 3.030 190 I HA 0.064 4.543 4.170 0.515 0.000 0.270 190 I C 0.815 176.849 176.117 -0.139 0.000 1.211 190 I CA 0.511 61.679 61.300 -0.220 0.000 1.479 190 I CB 0.223 38.059 38.000 -0.274 0.000 1.105 190 I HN -0.006 nan 8.210 nan 0.000 0.447 197 E N 1.565 121.820 120.200 0.091 0.000 2.335 197 E HA 0.176 4.835 4.350 0.515 0.000 0.191 197 E C -0.824 175.886 176.600 0.183 0.000 1.077 197 E CA -0.105 56.364 56.400 0.115 0.000 1.010 197 E CB -0.285 29.508 29.700 0.154 0.000 1.141 197 E HN 0.409 nan 8.360 nan 0.000 0.452 198 F N -1.953 117.988 119.950 -0.015 0.000 2.686 198 F HA 0.567 5.404 4.527 0.516 0.000 0.311 198 F C -0.406 175.376 175.800 -0.030 0.000 1.128 198 F CA -1.180 56.818 58.000 -0.004 0.000 0.946 198 F CB 1.088 40.127 39.000 0.066 0.000 1.336 198 F HN -0.210 nan 8.300 nan 0.000 0.457 199 T N -2.586 111.998 114.554 0.050 0.000 2.883 199 T HA 0.393 5.052 4.350 0.515 0.000 0.284 199 T C 0.290 175.053 174.700 0.104 0.000 1.041 199 T CA -0.533 61.527 62.100 -0.067 0.000 1.007 199 T CB 1.730 70.591 68.868 -0.012 0.000 1.220 199 T HN 0.787 nan 8.240 nan 0.000 0.552 200 E N 0.105 120.308 120.200 0.006 0.000 2.265 200 E HA -0.126 4.533 4.350 0.515 0.000 0.196 200 E C 1.006 177.609 176.600 0.005 0.000 0.996 200 E CA 0.981 57.366 56.400 -0.025 0.000 0.832 200 E CB -0.131 29.462 29.700 -0.179 0.000 0.756 200 E HN 0.561 nan 8.360 nan 0.000 0.491 201 D N 1.117 121.545 120.400 0.046 0.000 2.264 201 D HA -0.109 4.840 4.640 0.515 0.000 0.208 201 D C 1.064 177.424 176.300 0.100 0.000 0.966 201 D CA 0.832 54.866 54.000 0.056 0.000 0.864 201 D CB -0.129 40.706 40.800 0.060 0.000 0.933 201 D HN 0.143 nan 8.370 nan 0.000 0.499 202 D N -0.079 120.424 120.400 0.172 0.000 2.349 202 D HA 0.026 4.975 4.640 0.515 0.000 0.224 202 D C 0.559 177.047 176.300 0.313 0.000 1.029 202 D CA 0.100 54.233 54.000 0.222 0.000 0.879 202 D CB 0.463 41.416 40.800 0.255 0.000 0.906 202 D HN 0.239 nan 8.370 nan 0.000 0.528 203 L N 1.682 123.047 121.223 0.237 0.000 2.292 203 L HA 0.252 4.901 4.340 0.515 0.000 0.284 203 L C 0.264 177.227 176.870 0.155 0.000 1.065 203 L CA -0.743 54.240 54.840 0.238 0.000 0.806 203 L CB 0.768 42.866 42.059 0.065 0.000 1.175 203 L HN -0.094 nan 8.230 nan 0.000 0.431 204 N N -0.723 118.068 118.700 0.151 0.000 2.312 204 N HA 0.286 5.335 4.740 0.515 0.000 0.296 204 N C 0.163 175.636 175.510 -0.062 0.000 1.193 204 N CA -0.652 52.383 53.050 -0.024 0.000 0.773 204 N CB 1.609 40.022 38.487 -0.124 0.000 1.435 204 N HN 0.414 nan 8.380 nan 0.000 0.484 205 S N -0.876 114.784 115.700 -0.067 0.000 2.562 205 S HA 0.107 4.886 4.470 0.515 0.000 0.221 205 S C 1.429 175.981 174.600 -0.079 0.000 0.975 205 S CA 0.181 58.347 58.200 -0.057 0.000 0.918 205 S CB -0.454 62.723 63.200 -0.038 0.000 0.772 205 S HN 0.738 nan 8.310 nan 0.000 0.531 206 A N 2.025 124.769 122.820 -0.127 0.000 2.123 206 A HA 0.196 4.825 4.320 0.515 0.000 0.214 206 A C 0.896 178.376 177.584 -0.174 0.000 1.152 206 A CA 0.101 52.057 52.037 -0.134 0.000 0.728 206 A CB -0.536 18.378 19.000 -0.144 0.000 0.814 206 A HN 0.525 nan 8.150 nan 0.000 0.464 207 N N -0.741 117.806 118.700 -0.256 0.000 2.725 207 N HA -0.132 4.917 4.740 0.515 0.000 0.251 207 N C -0.892 174.430 175.510 -0.315 0.000 1.031 207 N CA 1.041 53.937 53.050 -0.256 0.000 0.720 207 N CB -1.116 37.343 38.487 -0.046 0.000 0.930 207 N HN 0.229 nan 8.380 nan 0.000 0.543 208 V N 1.640 121.223 119.914 -0.551 0.000 2.483 208 V HA 0.525 4.954 4.120 0.515 0.000 0.297 208 V C -0.344 175.437 176.094 -0.521 0.000 1.027 208 V CA -0.529 61.561 62.300 -0.351 0.000 0.855 208 V CB 1.385 33.075 31.823 -0.223 0.000 0.995 208 V HN 0.159 nan 8.190 nan 0.000 0.424 209 Y N 1.456 121.703 120.300 -0.088 0.000 2.553 209 Y HA 0.562 5.420 4.550 0.514 0.000 0.347 209 Y C 0.638 176.467 175.900 -0.118 0.000 1.019 209 Y CA -0.893 57.138 58.100 -0.115 0.000 1.032 209 Y CB 2.287 40.651 38.460 -0.161 0.000 1.284 209 Y HN 0.653 nan 8.280 nan 0.000 0.466 210 S N 0.916 116.653 115.700 0.062 0.000 2.603 210 S HA 0.243 5.022 4.470 0.515 0.000 0.268 210 S C -2.232 172.341 174.600 -0.045 0.000 1.317 210 S CA -0.998 57.196 58.200 -0.009 0.000 1.012 210 S CB 1.451 64.635 63.200 -0.027 0.000 0.926 210 S HN 0.433 nan 8.310 nan 0.000 0.539 211 P HA -0.109 nan 4.420 nan 0.000 0.215 211 P C 1.437 178.698 177.300 -0.064 0.000 1.153 211 P CA 1.199 64.272 63.100 -0.043 0.000 0.853 211 P CB 0.036 31.706 31.700 -0.051 0.000 0.788 212 K N 0.153 120.506 120.400 -0.077 0.000 2.026 212 K HA -0.217 4.412 4.320 0.515 0.000 0.208 212 K C 2.275 178.768 176.600 -0.180 0.000 1.048 212 K CA 1.703 57.936 56.287 -0.091 0.000 0.929 212 K CB -1.062 31.395 32.500 -0.073 0.000 0.713 212 K HN -0.113 nan 8.250 nan 0.000 0.439 213 Q N 0.269 119.909 119.800 -0.268 0.000 2.124 213 Q HA -0.015 4.634 4.340 0.515 0.000 0.202 213 Q C 1.909 177.365 176.000 -0.907 0.000 0.977 213 Q CA 1.645 57.102 55.803 -0.578 0.000 0.850 213 Q CB -0.180 28.238 28.738 -0.533 0.000 0.901 213 Q HN 0.450 nan 8.270 nan 0.000 0.429 214 L N -0.135 120.768 121.223 -0.533 0.000 2.141 214 L HA -0.134 4.515 4.340 0.515 0.000 0.209 214 L C 2.152 178.979 176.870 -0.071 0.000 1.094 214 L CA 1.200 55.839 54.840 -0.336 0.000 0.763 214 L CB -0.341 41.635 42.059 -0.139 0.000 0.908 214 L HN 0.297 nan 8.230 nan 0.000 0.437 215 E N -0.420 119.759 120.200 -0.035 0.000 2.110 215 E HA -0.172 4.487 4.350 0.515 0.000 0.193 215 E C 2.077 178.763 176.600 0.143 0.000 0.988 215 E CA 1.720 58.222 56.400 0.170 0.000 0.804 215 E CB -0.029 29.761 29.700 0.149 0.000 0.745 215 E HN 0.401 nan 8.360 nan 0.000 0.458 216 T N 0.447 114.975 114.554 -0.044 0.000 2.821 216 T HA -0.084 4.576 4.350 0.515 0.000 0.267 216 T C 1.511 176.289 174.700 0.130 0.000 1.046 216 T CA 0.837 62.945 62.100 0.013 0.000 1.139 216 T CB -0.289 68.514 68.868 -0.109 0.000 0.871 216 T HN 0.177 nan 8.240 nan 0.000 0.454 217 F N 0.784 120.677 119.950 -0.094 0.000 2.134 217 F HA -0.004 4.831 4.527 0.514 0.000 0.299 217 F C 2.284 178.139 175.800 0.092 0.000 1.097 217 F CA 0.478 58.431 58.000 -0.079 0.000 1.264 217 F CB -0.372 38.572 39.000 -0.094 0.000 1.001 217 F HN 0.092 nan 8.300 nan 0.000 0.479 218 I N 0.205 120.890 120.570 0.193 0.000 2.179 218 I HA -0.357 4.122 4.170 0.515 0.000 0.242 218 I C 2.431 178.392 176.117 -0.259 0.000 1.088 218 I CA 1.309 62.514 61.300 -0.159 0.000 1.357 218 I CB -0.614 37.067 38.000 -0.531 0.000 1.051 218 I HN 0.259 nan 8.210 nan 0.000 0.409 219 N N 0.934 119.579 118.700 -0.091 0.000 2.104 219 N HA -0.256 4.794 4.740 0.515 0.000 0.190 219 N C 2.091 177.672 175.510 0.119 0.000 1.024 219 N CA 1.584 54.665 53.050 0.052 0.000 0.853 219 N CB -0.088 38.547 38.487 0.246 0.000 1.008 219 N HN 0.250 nan 8.380 nan 0.000 0.424 220 F N 2.000 122.020 119.950 0.115 0.000 2.102 220 F HA -0.163 4.673 4.527 0.515 0.000 0.298 220 F C 2.542 178.395 175.800 0.088 0.000 1.105 220 F CA 1.214 59.318 58.000 0.173 0.000 1.239 220 F CB -0.845 38.392 39.000 0.395 0.000 0.991 220 F HN 0.104 nan 8.300 nan 0.000 0.474 221 C N 0.720 119.901 119.300 -0.199 0.000 2.425 221 C HA -0.123 4.646 4.460 0.515 0.000 0.277 221 C C 2.866 177.687 174.990 -0.281 0.000 1.280 221 C CA 0.956 59.769 59.018 -0.341 0.000 1.744 221 C CB -1.381 26.253 27.740 -0.177 0.000 1.989 221 C HN 0.548 nan 8.230 nan 0.000 0.491 222 I N 0.760 121.207 120.570 -0.206 0.000 2.142 222 I HA -0.225 4.254 4.170 0.515 0.000 0.240 222 I C 2.767 178.788 176.117 -0.160 0.000 1.078 222 I CA 1.958 63.164 61.300 -0.158 0.000 1.343 222 I CB -0.559 37.344 38.000 -0.162 0.000 1.046 222 I HN 0.316 nan 8.210 nan 0.000 0.405 223 S N 0.394 116.011 115.700 -0.138 0.000 2.370 223 S HA -0.216 4.563 4.470 0.515 0.000 0.226 223 S C 2.133 176.646 174.600 -0.144 0.000 1.033 223 S CA 1.582 59.719 58.200 -0.106 0.000 1.011 223 S CB -0.229 62.953 63.200 -0.031 0.000 0.852 223 S HN 0.470 nan 8.310 nan 0.000 0.457 224 A N 1.345 124.007 122.820 -0.262 0.000 1.854 224 A HA 0.004 4.633 4.320 0.515 0.000 0.214 224 A C 2.190 179.737 177.584 -0.062 0.000 1.192 224 A CA 1.382 53.291 52.037 -0.214 0.000 0.611 224 A CB -0.540 18.180 19.000 -0.468 0.000 0.832 224 A HN 0.597 nan 8.150 nan 0.000 0.442 225 K N -0.933 119.351 120.400 -0.193 0.000 2.025 225 K HA -0.068 4.561 4.320 0.515 0.000 0.207 225 K C 1.873 178.338 176.600 -0.225 0.000 1.049 225 K CA 1.438 57.510 56.287 -0.357 0.000 0.933 225 K CB -0.284 31.862 32.500 -0.589 0.000 0.714 225 K HN 0.325 nan 8.250 nan 0.000 0.438 226 M N 1.110 120.573 119.600 -0.229 0.000 2.460 226 M HA -0.073 4.716 4.480 0.515 0.000 0.263 226 M C 2.150 178.348 176.300 -0.171 0.000 1.071 226 M CA 1.249 56.390 55.300 -0.264 0.000 1.096 226 M CB -1.144 31.292 32.600 -0.273 0.000 1.408 226 M HN 0.103 nan 8.290 nan 0.000 0.463 227 S N -0.838 114.808 115.700 -0.089 0.000 2.474 227 S HA -0.021 4.758 4.470 0.515 0.000 0.235 227 S C 1.740 176.326 174.600 -0.025 0.000 0.997 227 S CA 0.896 59.066 58.200 -0.051 0.000 0.949 227 S CB -0.398 62.790 63.200 -0.021 0.000 0.766 227 S HN 0.300 nan 8.310 nan 0.000 0.517 228 V N 0.604 120.530 119.914 0.020 0.000 3.013 228 V HA 0.282 4.711 4.120 0.515 0.000 0.238 228 V C 2.100 178.203 176.094 0.015 0.000 1.161 228 V CA 0.367 62.707 62.300 0.066 0.000 1.170 228 V CB -0.315 31.645 31.823 0.227 0.000 0.917 228 V HN 0.388 nan 8.190 nan 0.000 0.478 229 L N -0.031 121.159 121.223 -0.055 0.000 2.395 229 L HA -0.023 4.626 4.340 0.515 0.000 0.218 229 L C 2.443 179.107 176.870 -0.344 0.000 1.130 229 L CA 0.754 55.498 54.840 -0.160 0.000 0.826 229 L CB -0.540 41.382 42.059 -0.229 0.000 0.941 229 L HN 0.275 nan 8.230 nan 0.000 0.451 230 S N 0.113 115.595 115.700 -0.365 0.000 2.400 230 S HA -0.184 4.595 4.470 0.515 0.000 0.232 230 S C 1.777 176.258 174.600 -0.199 0.000 1.025 230 S CA 1.467 59.458 58.200 -0.349 0.000 0.993 230 S CB -0.045 63.002 63.200 -0.255 0.000 0.808 230 S HN 0.543 nan 8.310 nan 0.000 0.478 231 E N -0.124 119.993 120.200 -0.137 0.000 2.244 231 E HA 0.047 4.706 4.350 0.515 0.000 0.196 231 E C 0.149 176.697 176.600 -0.086 0.000 0.939 231 E CA 0.174 56.517 56.400 -0.094 0.000 0.884 231 E CB 0.151 29.811 29.700 -0.065 0.000 0.850 231 E HN 0.141 nan 8.360 nan 0.000 0.481 232 D N 1.614 121.980 120.400 -0.058 0.000 2.639 232 D HA 0.055 5.004 4.640 0.515 0.000 0.233 232 D C 1.230 177.515 176.300 -0.025 0.000 1.161 232 D CA -0.227 53.757 54.000 -0.028 0.000 1.003 232 D CB -0.023 40.800 40.800 0.038 0.000 1.034 232 D HN 0.211 nan 8.370 nan 0.000 0.514 233 I N -1.281 119.202 120.570 -0.146 0.000 2.454 233 I HA -0.190 4.289 4.170 0.515 0.000 0.254 233 I C 0.866 176.910 176.117 -0.121 0.000 1.156 233 I CA 1.067 62.314 61.300 -0.088 0.000 1.433 233 I CB -0.474 37.350 38.000 -0.292 0.000 1.082 233 I HN 0.138 nan 8.210 nan 0.000 0.432 234 Y N 1.555 121.826 120.300 -0.048 0.000 2.466 234 Y HA 0.169 5.028 4.550 0.514 0.000 0.272 234 Y C 0.505 176.484 175.900 0.132 0.000 1.169 234 Y CA -0.248 57.768 58.100 -0.141 0.000 1.285 234 Y CB 0.013 38.275 38.460 -0.329 0.000 1.078 234 Y HN 0.237 nan 8.280 nan 0.000 0.523 235 E N 0.214 120.559 120.200 0.242 0.000 2.389 235 E HA -0.279 4.380 4.350 0.515 0.000 0.243 235 E C 0.506 177.224 176.600 0.197 0.000 1.154 235 E CA 0.433 56.970 56.400 0.228 0.000 0.723 235 E CB -1.204 28.649 29.700 0.255 0.000 1.261 235 E HN 0.570 nan 8.360 nan 0.000 0.390 236 K N -0.384 120.122 120.400 0.177 0.000 2.355 236 K HA 0.143 4.772 4.320 0.515 0.000 0.198 236 K C 1.301 177.962 176.600 0.102 0.000 1.039 236 K CA 0.264 56.637 56.287 0.142 0.000 1.075 236 K CB 0.482 33.071 32.500 0.147 0.000 0.870 236 K HN 0.066 nan 8.250 nan 0.000 0.540 237 K N 0.150 120.604 120.400 0.090 0.000 4.650 237 K HA 0.172 4.801 4.320 0.515 0.000 0.256 237 K C 1.324 177.950 176.600 0.044 0.000 1.139 237 K CA -0.412 55.912 56.287 0.061 0.000 1.927 237 K CB 0.038 32.567 32.500 0.049 0.000 2.928 237 K HN -0.237 nan 8.250 nan 0.000 0.661 238 K N 1.025 121.442 120.400 0.029 0.000 2.209 238 K HA -0.077 4.552 4.320 0.515 0.000 0.204 238 K C 1.744 178.341 176.600 -0.005 0.000 1.048 238 K CA 1.369 57.656 56.287 -0.001 0.000 0.940 238 K CB -0.291 32.206 32.500 -0.006 0.000 0.729 238 K HN 0.508 nan 8.250 nan 0.000 0.451 239 G N 0.731 109.576 108.800 0.075 0.000 2.625 239 G HA2 -0.160 4.109 3.960 0.515 0.000 0.214 239 G HA3 -0.160 4.109 3.960 0.515 0.000 0.214 239 G C 1.229 176.216 174.900 0.145 0.000 1.132 239 G CA 0.083 45.293 45.100 0.183 0.000 0.782 239 G HN 0.207 nan 8.290 nan 0.000 0.538 240 L N -0.086 121.172 121.223 0.058 0.000 2.362 240 L HA 0.007 4.656 4.340 0.515 0.000 0.219 240 L C 2.519 179.372 176.870 -0.027 0.000 1.134 240 L CA 0.060 54.927 54.840 0.045 0.000 0.807 240 L CB -0.204 41.884 42.059 0.047 0.000 0.927 240 L HN 0.213 nan 8.230 nan 0.000 0.447 241 I N -0.375 120.092 120.570 -0.172 0.000 2.530 241 I HA -0.283 4.196 4.170 0.515 0.000 0.257 241 I C 1.670 177.567 176.117 -0.367 0.000 1.179 241 I CA 1.614 62.725 61.300 -0.314 0.000 1.440 241 I CB -0.229 37.472 38.000 -0.498 0.000 1.087 241 I HN 0.069 nan 8.210 nan 0.000 0.440 242 F N 0.122 120.077 119.950 0.008 0.000 2.811 242 F HA 0.068 4.905 4.527 0.516 0.000 0.301 242 F C 1.889 177.604 175.800 -0.141 0.000 1.151 242 F CA 0.132 58.120 58.000 -0.020 0.000 1.412 242 F CB -0.208 38.773 39.000 -0.032 0.000 1.113 242 F HN 0.045 nan 8.300 nan 0.000 0.579 243 E N -0.638 119.550 120.200 -0.020 0.000 2.479 243 E HA -0.058 4.601 4.350 0.515 0.000 0.193 243 E C -0.171 176.513 176.600 0.140 0.000 1.049 243 E CA -0.153 56.160 56.400 -0.145 0.000 0.870 243 E CB -0.358 29.336 29.700 -0.010 0.000 0.944 243 E HN 0.320 nan 8.360 nan 0.000 0.492 244 Y N 1.726 122.066 120.300 0.067 0.000 2.810 244 Y HA 0.109 4.968 4.550 0.515 0.000 0.332 244 Y C 1.599 177.652 175.900 0.255 0.000 1.243 244 Y CA 1.437 59.615 58.100 0.129 0.000 1.537 244 Y CB 0.227 38.735 38.460 0.080 0.000 1.265 244 Y HN 0.329 nan 8.280 nan 0.000 0.572 245 G N 3.890 112.504 108.800 -0.310 0.000 2.189 245 G HA2 -0.392 3.877 3.960 0.515 0.000 0.267 245 G HA3 -0.392 3.877 3.960 0.515 0.000 0.267 245 G C 0.776 175.621 174.900 -0.092 0.000 0.975 245 G CA 0.898 45.826 45.100 -0.287 0.000 0.644 245 G HN 0.807 nan 8.290 nan 0.000 0.537 246 H N -0.257 118.783 119.070 -0.049 0.000 2.525 246 H HA 0.197 5.061 4.556 0.514 0.000 0.275 246 H C 2.720 178.089 175.328 0.068 0.000 0.984 246 H CA 1.648 57.710 56.048 0.023 0.000 1.264 246 H CB 0.023 29.832 29.762 0.078 0.000 1.432 246 H HN 0.397 nan 8.280 nan 0.000 0.549 247 T N 0.462 115.114 114.554 0.164 0.000 2.643 247 T HA -0.112 4.548 4.350 0.515 0.000 0.264 247 T C 2.062 176.834 174.700 0.120 0.000 1.045 247 T CA 1.563 63.745 62.100 0.137 0.000 1.155 247 T CB -0.168 68.760 68.868 0.099 0.000 0.863 247 T HN 0.242 nan 8.240 nan 0.000 0.420 248 I N 0.842 121.463 120.570 0.085 0.000 2.584 248 I HA 0.077 4.556 4.170 0.515 0.000 0.255 248 I C 2.905 179.042 176.117 0.033 0.000 1.145 248 I CA 0.652 62.009 61.300 0.095 0.000 1.462 248 I CB -0.683 37.413 38.000 0.161 0.000 1.102 248 I HN 0.310 nan 8.210 nan 0.000 0.433 249 G N 0.452 109.228 108.800 -0.040 0.000 2.476 249 G HA2 -0.358 3.911 3.960 0.515 0.000 0.218 249 G HA3 -0.358 3.911 3.960 0.515 0.000 0.218 249 G C 1.532 176.393 174.900 -0.065 0.000 1.164 249 G CA 1.244 46.261 45.100 -0.139 0.000 0.768 249 G HN 0.373 nan 8.290 nan 0.000 0.560 250 H N 1.090 120.125 119.070 -0.058 0.000 2.389 250 H HA 0.209 5.073 4.556 0.514 0.000 0.299 250 H C 2.639 177.969 175.328 0.003 0.000 1.081 250 H CA 1.469 57.522 56.048 0.009 0.000 1.345 250 H CB -0.289 29.535 29.762 0.104 0.000 1.393 250 H HN 0.290 nan 8.280 nan 0.000 0.520 251 A N 0.581 123.384 122.820 -0.028 0.000 1.902 251 A HA -0.101 4.528 4.320 0.515 0.000 0.217 251 A C 2.548 180.047 177.584 -0.142 0.000 1.181 251 A CA 1.583 53.588 52.037 -0.052 0.000 0.623 251 A CB -0.754 18.294 19.000 0.080 0.000 0.818 251 A HN 0.487 nan 8.150 nan 0.000 0.443 252 I N -0.666 119.842 120.570 -0.102 0.000 2.226 252 I HA -0.252 4.227 4.170 0.515 0.000 0.245 252 I C 2.573 178.577 176.117 -0.189 0.000 1.100 252 I CA 1.780 63.006 61.300 -0.124 0.000 1.374 252 I CB -0.409 37.529 38.000 -0.103 0.000 1.057 252 I HN 0.561 nan 8.210 nan 0.000 0.413 253 E N 1.560 121.644 120.200 -0.194 0.000 2.085 253 E HA -0.226 4.433 4.350 0.515 0.000 0.194 253 E C 2.358 178.800 176.600 -0.263 0.000 0.994 253 E CA 1.268 57.563 56.400 -0.175 0.000 0.801 253 E CB -0.018 29.636 29.700 -0.077 0.000 0.743 253 E HN 0.455 nan 8.360 nan 0.000 0.453 254 L N 0.301 121.265 121.223 -0.432 0.000 2.056 254 L HA -0.114 4.535 4.340 0.515 0.000 0.207 254 L C 2.726 179.115 176.870 -0.801 0.000 1.078 254 L CA 0.983 55.457 54.840 -0.610 0.000 0.749 254 L CB -0.512 41.088 42.059 -0.765 0.000 0.901 254 L HN 0.218 nan 8.230 nan 0.000 0.433 255 A N -0.461 121.901 122.820 -0.763 0.000 1.978 255 A HA -0.173 4.456 4.320 0.515 0.000 0.220 255 A C 2.046 179.473 177.584 -0.263 0.000 1.170 255 A CA 1.392 53.119 52.037 -0.517 0.000 0.636 255 A CB -0.282 18.585 19.000 -0.222 0.000 0.810 255 A HN 0.343 nan 8.150 nan 0.000 0.448 256 E N -0.312 119.755 120.200 -0.222 0.000 2.502 256 E HA -0.031 4.628 4.350 0.515 0.000 0.194 256 E C -0.028 176.505 176.600 -0.112 0.000 1.062 256 E CA 0.310 56.630 56.400 -0.133 0.000 0.867 256 E CB -0.275 29.360 29.700 -0.109 0.000 0.888 256 E HN 0.741 nan 8.360 nan 0.000 0.510 257 Q N -0.917 118.795 119.800 -0.145 0.000 2.435 257 Q HA -0.293 4.356 4.340 0.515 0.000 0.286 257 Q C 0.750 176.717 176.000 -0.055 0.000 1.229 257 Q CA 0.418 56.165 55.803 -0.093 0.000 0.884 257 Q CB -1.959 26.746 28.738 -0.056 0.000 1.245 257 Q HN 0.480 nan 8.270 nan 0.000 0.488 258 G N -2.777 105.989 108.800 -0.057 0.000 2.179 258 G HA2 -0.280 3.989 3.960 0.515 0.000 0.220 258 G HA3 -0.280 3.989 3.960 0.515 0.000 0.220 258 G C 0.606 175.489 174.900 -0.027 0.000 0.990 258 G CA 0.171 45.254 45.100 -0.030 0.000 0.646 258 G HN 0.747 nan 8.290 nan 0.000 0.517 259 G N 0.412 109.189 108.800 -0.039 0.000 2.432 259 G HA2 0.309 4.578 3.960 0.515 0.000 0.219 259 G HA3 0.309 4.578 3.960 0.515 0.000 0.219 259 G C 0.966 175.847 174.900 -0.032 0.000 1.135 259 G CA 1.309 46.389 45.100 -0.033 0.000 0.767 259 G HN 1.537 nan 8.290 nan 0.000 0.550 260 I N -1.556 118.989 120.570 -0.040 0.000 2.740 260 I HA 0.622 5.101 4.170 0.515 0.000 0.303 260 I C 0.240 176.342 176.117 -0.024 0.000 1.044 260 I CA -1.056 60.221 61.300 -0.038 0.000 1.064 260 I CB 2.076 40.040 38.000 -0.061 0.000 1.249 260 I HN -0.015 nan 8.210 nan 0.000 0.433 261 T N -0.622 113.925 114.554 -0.013 0.000 2.828 261 T HA 0.122 4.781 4.350 0.515 0.000 0.290 261 T C 0.961 175.673 174.700 0.020 0.000 1.019 261 T CA 0.336 62.448 62.100 0.020 0.000 1.031 261 T CB 0.770 69.656 68.868 0.030 0.000 1.001 261 T HN 0.858 nan 8.240 nan 0.000 0.531 262 H N 1.423 120.480 119.070 -0.022 0.000 2.352 262 H HA 0.013 4.879 4.556 0.518 0.000 0.299 262 H C 2.263 177.551 175.328 -0.065 0.000 1.097 262 H CA 2.509 58.537 56.048 -0.033 0.000 1.311 262 H CB -0.844 28.916 29.762 -0.002 0.000 1.377 262 H HN 0.806 nan 8.280 nan 0.000 0.504 263 G N -0.049 108.720 108.800 -0.050 0.000 2.421 263 G HA2 -0.272 3.997 3.960 0.515 0.000 0.216 263 G HA3 -0.272 3.997 3.960 0.515 0.000 0.216 263 G C 1.626 176.438 174.900 -0.147 0.000 1.171 263 G CA 0.852 45.895 45.100 -0.096 0.000 0.775 263 G HN 0.525 nan 8.290 nan 0.000 0.543 264 E N 0.457 120.594 120.200 -0.105 0.000 2.085 264 E HA -0.070 4.589 4.350 0.515 0.000 0.194 264 E C 2.890 179.384 176.600 -0.177 0.000 0.994 264 E CA 0.900 57.233 56.400 -0.113 0.000 0.801 264 E CB -0.193 29.462 29.700 -0.075 0.000 0.743 264 E HN 0.418 nan 8.360 nan 0.000 0.453 265 A N 0.684 123.376 122.820 -0.213 0.000 1.902 265 A HA -0.168 4.461 4.320 0.515 0.000 0.217 265 A C 2.068 179.450 177.584 -0.336 0.000 1.181 265 A CA 1.118 53.001 52.037 -0.256 0.000 0.623 265 A CB -0.326 18.531 19.000 -0.237 0.000 0.818 265 A HN 0.118 nan 8.150 nan 0.000 0.443 266 I N -0.051 120.262 120.570 -0.428 0.000 2.439 266 I HA -0.122 4.357 4.170 0.515 0.000 0.251 266 I C 2.748 178.687 176.117 -0.296 0.000 1.139 266 I CA 0.861 61.890 61.300 -0.451 0.000 1.438 266 I CB -0.571 37.071 38.000 -0.597 0.000 1.085 266 I HN 0.311 nan 8.210 nan 0.000 0.427 267 A N -0.264 122.413 122.820 -0.238 0.000 1.898 267 A HA -0.127 4.502 4.320 0.515 0.000 0.216 267 A C 2.443 179.872 177.584 -0.258 0.000 1.181 267 A CA 1.800 53.725 52.037 -0.186 0.000 0.620 267 A CB -0.977 17.942 19.000 -0.135 0.000 0.819 267 A HN 0.218 nan 8.150 nan 0.000 0.442 268 V N -0.082 119.636 119.914 -0.326 0.000 2.427 268 V HA -0.145 4.284 4.120 0.515 0.000 0.248 268 V C 2.777 178.444 176.094 -0.711 0.000 1.051 268 V CA 1.815 63.810 62.300 -0.508 0.000 1.048 268 V CB -1.348 30.173 31.823 -0.504 0.000 0.666 268 V HN 0.609 nan 8.190 nan 0.000 0.456 269 G N -0.855 107.644 108.800 -0.501 0.000 2.432 269 G HA2 -0.233 4.036 3.960 0.515 0.000 0.219 269 G HA3 -0.233 4.036 3.960 0.515 0.000 0.219 269 G C 1.600 176.301 174.900 -0.332 0.000 1.135 269 G CA 0.836 45.705 45.100 -0.384 0.000 0.767 269 G HN 0.419 nan 8.290 nan 0.000 0.550 270 M N 0.087 119.482 119.600 -0.341 0.000 2.156 270 M HA 0.083 4.872 4.480 0.515 0.000 0.264 270 M C 2.416 178.609 176.300 -0.178 0.000 1.067 270 M CA 0.771 55.865 55.300 -0.343 0.000 1.131 270 M CB -0.213 32.295 32.600 -0.154 0.000 1.368 270 M HN 0.087 nan 8.290 nan 0.000 0.416 271 I N -0.246 120.202 120.570 -0.204 0.000 2.208 271 I HA -0.316 4.163 4.170 0.515 0.000 0.245 271 I C 2.262 178.383 176.117 0.007 0.000 1.097 271 I CA 1.958 63.135 61.300 -0.205 0.000 1.363 271 I CB -1.379 36.435 38.000 -0.310 0.000 1.051 271 I HN 0.384 nan 8.210 nan 0.000 0.413 272 Y N 0.805 121.022 120.300 -0.138 0.000 2.181 272 Y HA -0.206 4.654 4.550 0.516 0.000 0.288 272 Y C 2.706 178.552 175.900 -0.090 0.000 1.146 272 Y CA 0.555 58.603 58.100 -0.086 0.000 1.164 272 Y CB -0.248 38.175 38.460 -0.062 0.000 0.982 272 Y HN 0.162 nan 8.280 nan 0.000 0.515 273 A N 0.422 123.258 122.820 0.027 0.000 1.930 273 A HA -0.147 4.482 4.320 0.515 0.000 0.217 273 A C 2.395 179.993 177.584 0.024 0.000 1.175 273 A CA 1.543 53.578 52.037 -0.003 0.000 0.627 273 A CB -0.949 17.961 19.000 -0.149 0.000 0.815 273 A HN 0.421 nan 8.150 nan 0.000 0.443 274 A N -0.039 122.737 122.820 -0.074 0.000 1.902 274 A HA -0.151 4.478 4.320 0.515 0.000 0.217 274 A C 2.108 179.651 177.584 -0.070 0.000 1.181 274 A CA 1.780 53.704 52.037 -0.189 0.000 0.623 274 A CB -0.413 18.152 19.000 -0.725 0.000 0.818 274 A HN 0.543 nan 8.150 nan 0.000 0.443 275 K N -0.429 119.958 120.400 -0.022 0.000 2.057 275 K HA -0.020 4.609 4.320 0.515 0.000 0.207 275 K C 1.799 178.407 176.600 0.012 0.000 1.049 275 K CA 1.454 57.753 56.287 0.021 0.000 0.931 275 K CB -0.347 32.182 32.500 0.048 0.000 0.714 275 K HN 0.519 nan 8.250 nan 0.000 0.440 276 I N 1.064 121.641 120.570 0.012 0.000 2.226 276 I HA -0.271 4.208 4.170 0.515 0.000 0.245 276 I C 2.527 178.654 176.117 0.017 0.000 1.100 276 I CA 1.041 62.346 61.300 0.008 0.000 1.374 276 I CB -0.400 37.607 38.000 0.012 0.000 1.057 276 I HN 0.156 nan 8.210 nan 0.000 0.413 277 A N 0.859 123.698 122.820 0.033 0.000 1.902 277 A HA -0.269 4.361 4.320 0.515 0.000 0.217 277 A C 2.193 179.797 177.584 0.033 0.000 1.181 277 A CA 2.129 54.191 52.037 0.043 0.000 0.623 277 A CB -0.918 18.124 19.000 0.070 0.000 0.818 277 A HN 0.559 nan 8.150 nan 0.000 0.443 278 N N -0.247 118.470 118.700 0.028 0.000 2.142 278 N HA -0.137 4.912 4.740 0.515 0.000 0.186 278 N C 1.803 177.326 175.510 0.022 0.000 1.023 278 N CA 1.084 54.152 53.050 0.029 0.000 0.852 278 N CB -0.191 38.315 38.487 0.032 0.000 0.998 278 N HN 0.498 nan 8.380 nan 0.000 0.424 279 R N -0.231 120.278 120.500 0.015 0.000 2.280 279 R HA 0.112 4.761 4.340 0.515 0.000 0.207 279 R C 1.417 177.720 176.300 0.005 0.000 1.043 279 R CA 0.654 56.758 56.100 0.007 0.000 1.006 279 R CB 0.064 30.363 30.300 -0.001 0.000 0.885 279 R HN 0.337 nan 8.270 nan 0.000 0.467 280 M N -0.064 119.541 119.600 0.008 0.000 2.419 280 M HA 0.106 4.895 4.480 0.515 0.000 0.252 280 M C -0.061 176.248 176.300 0.015 0.000 1.143 280 M CA -0.082 55.222 55.300 0.006 0.000 0.985 280 M CB 0.364 32.965 32.600 0.002 0.000 1.489 280 M HN 0.039 nan 8.290 nan 0.000 0.484 281 N N 0.253 118.965 118.700 0.019 0.000 2.776 281 N HA -0.185 4.864 4.740 0.515 0.000 0.250 281 N C 0.005 175.533 175.510 0.029 0.000 1.112 281 N CA 0.642 53.705 53.050 0.023 0.000 0.733 281 N CB -1.225 37.273 38.487 0.020 0.000 1.097 281 N HN 0.463 nan 8.380 nan 0.000 0.558 282 L N -1.562 119.681 121.223 0.033 0.000 2.408 282 L HA 0.305 4.954 4.340 0.515 0.000 0.215 282 L C 1.086 177.984 176.870 0.046 0.000 1.081 282 L CA 0.397 55.261 54.840 0.040 0.000 0.840 282 L CB 0.114 42.199 42.059 0.044 0.000 1.002 282 L HN 0.329 nan 8.230 nan 0.000 0.468 283 M N 0.498 120.127 119.600 0.049 0.000 2.263 283 M HA 0.454 5.243 4.480 0.515 0.000 0.295 283 M C -2.632 173.706 176.300 0.063 0.000 1.028 283 M CA -1.783 53.554 55.300 0.061 0.000 0.921 283 M CB 2.732 35.374 32.600 0.070 0.000 1.601 283 M HN -0.317 nan 8.290 nan 0.000 0.440 284 P HA 0.038 nan 4.420 nan 0.000 0.270 284 P C -0.231 177.129 177.300 0.099 0.000 1.223 284 P CA 0.002 63.150 63.100 0.080 0.000 0.785 284 P CB 0.377 32.128 31.700 0.086 0.000 0.923 285 E N 0.999 121.253 120.200 0.090 0.000 2.110 285 E HA -0.329 4.330 4.350 0.515 0.000 0.193 285 E C 1.616 178.281 176.600 0.109 0.000 0.988 285 E CA 1.067 57.518 56.400 0.085 0.000 0.804 285 E CB -0.790 28.946 29.700 0.060 0.000 0.745 285 E HN 0.528 nan 8.360 nan 0.000 0.458 286 H N 1.742 120.835 119.070 0.038 0.000 2.422 286 H HA -0.128 4.737 4.556 0.515 0.000 0.298 286 H C 1.238 176.613 175.328 0.077 0.000 1.098 286 H CA 1.907 57.975 56.048 0.033 0.000 1.315 286 H CB 0.093 29.861 29.762 0.009 0.000 1.382 286 H HN 0.288 nan 8.280 nan 0.000 0.523 287 D N -0.020 120.507 120.400 0.212 0.000 2.194 287 D HA -0.082 4.867 4.640 0.515 0.000 0.204 287 D C 2.401 178.854 176.300 0.255 0.000 0.964 287 D CA 0.727 54.863 54.000 0.228 0.000 0.846 287 D CB 0.312 41.250 40.800 0.230 0.000 0.962 287 D HN 0.254 nan 8.370 nan 0.000 0.490 288 V N 1.282 121.288 119.914 0.153 0.000 2.295 288 V HA -0.216 4.213 4.120 0.515 0.000 0.246 288 V C 2.539 178.793 176.094 0.267 0.000 1.049 288 V CA 1.518 63.889 62.300 0.118 0.000 1.024 288 V CB -0.573 31.311 31.823 0.102 0.000 0.648 288 V HN 0.113 nan 8.190 nan 0.000 0.447 289 S N 0.326 116.133 115.700 0.179 0.000 2.400 289 S HA -0.189 4.591 4.470 0.515 0.000 0.232 289 S C 2.197 176.929 174.600 0.220 0.000 1.025 289 S CA 1.362 59.664 58.200 0.170 0.000 0.993 289 S CB -0.523 62.653 63.200 -0.040 0.000 0.808 289 S HN 0.662 nan 8.310 nan 0.000 0.478 290 A N 1.471 124.379 122.820 0.146 0.000 1.972 290 A HA -0.176 4.453 4.320 0.515 0.000 0.219 290 A C 1.809 179.583 177.584 0.317 0.000 1.169 290 A CA 1.314 53.477 52.037 0.210 0.000 0.635 290 A CB -0.831 18.250 19.000 0.134 0.000 0.810 290 A HN 0.618 nan 8.150 nan 0.000 0.446 291 H N -2.396 116.783 119.070 0.182 0.000 2.321 291 H HA -0.174 4.691 4.556 0.515 0.000 0.300 291 H C 2.020 177.405 175.328 0.095 0.000 1.087 291 H CA 2.129 58.243 56.048 0.109 0.000 1.319 291 H CB -0.219 29.555 29.762 0.021 0.000 1.379 291 H HN 0.677 nan 8.280 nan 0.000 0.501 292 Y N -0.663 119.792 120.300 0.258 0.000 2.181 292 Y HA -0.266 4.593 4.550 0.516 0.000 0.288 292 Y C 2.564 178.591 175.900 0.210 0.000 1.146 292 Y CA 1.010 59.222 58.100 0.186 0.000 1.164 292 Y CB -0.452 38.098 38.460 0.151 0.000 0.982 292 Y HN 0.260 nan 8.280 nan 0.000 0.515 293 W N 0.214 121.633 121.300 0.199 0.000 2.333 293 W HA -0.236 4.734 4.660 0.516 0.000 0.316 293 W C 2.094 178.657 176.519 0.074 0.000 1.215 293 W CA 1.503 58.911 57.345 0.105 0.000 1.278 293 W CB -0.804 28.693 29.460 0.061 0.000 1.154 293 W HN 0.047 nan 8.180 nan 0.000 0.486 294 L N 0.161 121.439 121.223 0.092 0.000 2.056 294 L HA -0.111 4.538 4.340 0.515 0.000 0.207 294 L C 2.402 179.224 176.870 -0.079 0.000 1.078 294 L CA 1.757 56.532 54.840 -0.109 0.000 0.749 294 L CB -1.070 40.981 42.059 -0.014 0.000 0.901 294 L HN 0.007 nan 8.230 nan 0.000 0.433 295 L N -0.819 120.404 121.223 -0.001 0.000 2.217 295 L HA -0.140 4.509 4.340 0.515 0.000 0.211 295 L C 1.975 178.843 176.870 -0.003 0.000 1.107 295 L CA 0.535 55.370 54.840 -0.008 0.000 0.783 295 L CB -0.508 41.545 42.059 -0.010 0.000 0.919 295 L HN 0.343 nan 8.230 nan 0.000 0.442 296 N N 0.138 118.850 118.700 0.020 0.000 2.354 296 N HA -0.104 4.945 4.740 0.515 0.000 0.179 296 N C 1.596 177.080 175.510 -0.042 0.000 1.021 296 N CA 0.829 53.892 53.050 0.022 0.000 0.887 296 N CB 0.053 38.590 38.487 0.083 0.000 0.974 296 N HN 0.334 nan 8.380 nan 0.000 0.437 297 K N 0.854 121.181 120.400 -0.121 0.000 2.283 297 K HA 0.012 4.641 4.320 0.515 0.000 0.202 297 K C 1.601 178.158 176.600 -0.073 0.000 1.048 297 K CA 0.698 56.897 56.287 -0.148 0.000 0.948 297 K CB 0.060 32.395 32.500 -0.275 0.000 0.742 297 K HN 0.361 nan 8.250 nan 0.000 0.458 298 I N -3.900 116.640 120.570 -0.050 0.000 3.941 298 I HA 0.333 4.812 4.170 0.515 0.000 0.335 298 I C 0.608 176.718 176.117 -0.012 0.000 1.402 298 I CA -0.147 61.144 61.300 -0.015 0.000 1.112 298 I CB 0.402 38.397 38.000 -0.008 0.000 1.043 298 I HN 0.048 nan 8.210 nan 0.000 0.395 299 G N 1.936 110.726 108.800 -0.017 0.000 2.283 299 G HA2 -0.358 3.911 3.960 0.515 0.000 0.280 299 G HA3 -0.358 3.911 3.960 0.515 0.000 0.280 299 G C 1.015 175.911 174.900 -0.006 0.000 1.029 299 G CA 0.567 45.662 45.100 -0.009 0.000 0.840 299 G HN 0.773 nan 8.290 nan 0.000 0.505 300 A N -1.026 121.789 122.820 -0.008 0.000 2.067 300 A HA 0.344 4.973 4.320 0.515 0.000 0.219 300 A C 2.175 179.747 177.584 -0.020 0.000 1.158 300 A CA 1.566 53.593 52.037 -0.017 0.000 0.661 300 A CB -0.076 18.907 19.000 -0.027 0.000 0.801 300 A HN 0.849 nan 8.150 nan 0.000 0.452 301 L N -1.197 120.025 121.223 -0.001 0.000 2.640 301 L HA 0.076 4.725 4.340 0.515 0.000 0.230 301 L C 2.203 179.086 176.870 0.021 0.000 1.123 301 L CA -0.063 54.783 54.840 0.010 0.000 0.900 301 L CB -0.162 41.925 42.059 0.047 0.000 1.146 301 L HN 0.401 nan 8.230 nan 0.000 0.484 302 Q N 0.499 120.307 119.800 0.014 0.000 1.917 302 Q HA -0.152 4.497 4.340 0.515 0.000 0.205 302 Q C 1.001 177.005 176.000 0.007 0.000 0.988 302 Q CA 1.636 57.447 55.803 0.013 0.000 0.851 302 Q CB 0.108 28.849 28.738 0.005 0.000 0.916 302 Q HN 0.479 nan 8.270 nan 0.000 0.424 303 D N 0.030 120.429 120.400 -0.002 0.000 1.913 303 D HA -0.021 4.928 4.640 0.515 0.000 0.280 303 D C 0.546 176.841 176.300 -0.008 0.000 1.012 303 D CA 0.472 54.469 54.000 -0.005 0.000 0.892 303 D CB 0.018 40.813 40.800 -0.009 0.000 1.119 303 D HN 0.111 nan 8.370 nan 0.000 0.434 304 I N 0.659 121.219 120.570 -0.017 0.000 7.505 304 I HA -0.166 4.313 4.170 0.515 0.000 0.126 304 I C -2.421 173.684 176.117 -0.021 0.000 1.838 304 I CA -0.367 60.918 61.300 -0.026 0.000 2.047 304 I CB -1.914 36.068 38.000 -0.030 0.000 3.658 304 I HN 0.107 nan 8.210 nan 0.000 0.172 305 P HA 0.319 nan 4.420 nan 0.000 0.230 305 P C 0.280 177.565 177.300 -0.025 0.000 1.791 305 P CA -0.232 62.857 63.100 -0.020 0.000 1.020 305 P CB 0.198 31.887 31.700 -0.019 0.000 1.977 306 L N 1.911 123.120 121.223 -0.023 0.000 2.433 306 L HA 0.093 4.742 4.340 0.515 0.000 0.275 306 L C 1.407 178.263 176.870 -0.022 0.000 1.128 306 L CA 0.508 55.333 54.840 -0.026 0.000 0.875 306 L CB 0.476 42.526 42.059 -0.015 0.000 1.171 306 L HN 0.236 nan 8.230 nan 0.000 0.463 307 K N 0.883 121.265 120.400 -0.030 0.000 2.403 307 K HA 0.077 4.706 4.320 0.515 0.000 0.199 307 K C 0.924 177.505 176.600 -0.032 0.000 1.199 307 K CA 0.020 56.291 56.287 -0.027 0.000 0.924 307 K CB 0.627 33.112 32.500 -0.025 0.000 1.137 307 K HN 0.694 nan 8.250 nan 0.000 0.510 308 S N 2.131 117.806 115.700 -0.041 0.000 2.576 308 S HA -0.015 4.765 4.470 0.515 0.000 0.272 308 S C -0.160 174.407 174.600 -0.054 0.000 1.352 308 S CA -0.556 57.618 58.200 -0.044 0.000 1.021 308 S CB 0.372 63.540 63.200 -0.053 0.000 0.887 308 S HN 0.233 nan 8.310 nan 0.000 0.542 309 D N 0.164 120.525 120.400 -0.064 0.000 2.294 309 D HA 0.412 5.361 4.640 0.515 0.000 0.250 309 D C -1.615 174.573 176.300 -0.187 0.000 1.058 309 D CA -2.089 51.852 54.000 -0.099 0.000 0.950 309 D CB 0.515 41.267 40.800 -0.079 0.000 1.158 309 D HN 0.283 nan 8.370 nan 0.000 0.453 310 P HA -0.207 nan 4.420 nan 0.000 0.217 310 P C 0.406 177.085 177.300 -1.034 0.000 1.148 310 P CA 1.099 63.809 63.100 -0.650 0.000 0.828 310 P CB 0.204 31.555 31.700 -0.582 0.000 0.783 311 D N -0.340 119.747 120.400 -0.522 0.000 2.144 311 D HA -0.076 4.873 4.640 0.515 0.000 0.200 311 D C 2.155 178.426 176.300 -0.049 0.000 0.978 311 D CA 1.068 54.927 54.000 -0.235 0.000 0.833 311 D CB -0.362 40.423 40.800 -0.025 0.000 0.961 311 D HN 0.156 nan 8.370 nan 0.000 0.470 312 S N 0.537 116.210 115.700 -0.045 0.000 2.355 312 S HA -0.067 4.712 4.470 0.515 0.000 0.222 312 S C 2.239 176.976 174.600 0.229 0.000 1.031 312 S CA 0.460 58.726 58.200 0.111 0.000 0.993 312 S CB -0.083 63.176 63.200 0.098 0.000 0.859 312 S HN 0.263 nan 8.310 nan 0.000 0.453 313 I N 0.783 121.381 120.570 0.046 0.000 2.226 313 I HA -0.203 4.276 4.170 0.515 0.000 0.245 313 I C 1.930 178.194 176.117 0.244 0.000 1.100 313 I CA 1.432 62.791 61.300 0.098 0.000 1.374 313 I CB -0.501 37.487 38.000 -0.021 0.000 1.057 313 I HN 0.264 nan 8.210 nan 0.000 0.413 314 F N -0.320 119.692 119.950 0.104 0.000 2.126 314 F HA -0.286 4.550 4.527 0.515 0.000 0.299 314 F C 2.766 178.577 175.800 0.019 0.000 1.096 314 F CA 0.897 58.924 58.000 0.046 0.000 1.255 314 F CB -0.561 38.455 39.000 0.027 0.000 0.997 314 F HN 0.207 nan 8.300 nan 0.000 0.479 315 H N -0.352 118.827 119.070 0.182 0.000 2.293 315 H HA -0.186 4.679 4.556 0.515 0.000 0.300 315 H C 2.089 177.359 175.328 -0.096 0.000 1.082 315 H CA 2.100 58.155 56.048 0.012 0.000 1.308 315 H CB -0.548 29.170 29.762 -0.074 0.000 1.375 315 H HN 0.240 nan 8.280 nan 0.000 0.495 316 Y N -0.177 120.197 120.300 0.125 0.000 2.421 316 Y HA -0.149 4.709 4.550 0.515 0.000 0.292 316 Y C 2.502 178.292 175.900 -0.184 0.000 1.136 316 Y CA 0.566 58.671 58.100 0.008 0.000 1.255 316 Y CB -0.082 38.383 38.460 0.008 0.000 0.991 316 Y HN 0.146 nan 8.280 nan 0.000 0.552 317 L N 0.409 121.650 121.223 0.030 0.000 2.095 317 L HA -0.050 4.599 4.340 0.515 0.000 0.204 317 L C 1.758 178.507 176.870 -0.200 0.000 1.080 317 L CA 1.760 56.582 54.840 -0.031 0.000 0.759 317 L CB -0.362 41.749 42.059 0.087 0.000 0.914 317 L HN 0.344 nan 8.230 nan 0.000 0.439 318 I N -6.407 114.006 120.570 -0.261 0.000 4.456 318 I HA 0.279 4.758 4.170 0.515 0.000 0.329 318 I C -0.156 175.817 176.117 -0.241 0.000 1.313 318 I CA -0.445 60.714 61.300 -0.235 0.000 1.205 318 I CB 0.052 37.978 38.000 -0.123 0.000 1.179 318 I HN 0.103 nan 8.210 nan 0.000 0.419 331 D N 2.460 122.839 120.400 -0.035 0.000 2.469 331 D HA 0.224 5.173 4.640 0.515 0.000 0.213 331 D C -0.473 175.796 176.300 -0.053 0.000 1.135 331 D CA -0.025 53.947 54.000 -0.046 0.000 0.834 331 D CB 0.407 41.185 40.800 -0.038 0.000 1.009 331 D HN 0.236 nan 8.370 nan 0.000 0.507 332 N N 0.982 119.654 118.700 -0.047 0.000 2.242 332 N HA 0.380 5.429 4.740 0.515 0.000 0.292 332 N C -1.493 173.990 175.510 -0.045 0.000 1.125 332 N CA -0.565 52.453 53.050 -0.053 0.000 0.783 332 N CB 3.022 41.475 38.487 -0.057 0.000 1.558 332 N HN -0.043 nan 8.380 nan 0.000 0.472 333 L N 0.157 121.352 121.223 -0.047 0.000 2.370 333 L HA 0.729 5.378 4.340 0.515 0.000 0.266 333 L C 0.001 176.854 176.870 -0.028 0.000 1.002 333 L CA -0.419 54.404 54.840 -0.029 0.000 0.818 333 L CB 1.711 43.754 42.059 -0.027 0.000 1.325 333 L HN 0.595 nan 8.230 nan 0.000 0.418 334 G N 4.607 113.402 108.800 -0.007 0.000 2.353 334 G HA2 0.585 4.854 3.960 0.515 0.000 0.284 334 G HA3 0.585 4.854 3.960 0.515 0.000 0.284 334 G C -0.775 174.137 174.900 0.019 0.000 1.172 334 G CA -0.493 44.603 45.100 -0.005 0.000 0.854 334 G HN 0.606 nan 8.290 nan 0.000 0.485 335 M N 1.017 120.628 119.600 0.018 0.000 2.593 335 M HA 0.379 5.168 4.480 0.515 0.000 0.290 335 M C -1.155 175.192 176.300 0.078 0.000 1.244 335 M CA -0.821 54.511 55.300 0.053 0.000 0.857 335 M CB 2.700 35.329 32.600 0.048 0.000 1.738 335 M HN 0.215 nan 8.290 nan 0.000 0.461 336 I N 2.949 123.596 120.570 0.129 0.000 2.301 336 I HA 0.347 4.826 4.170 0.515 0.000 0.292 336 I C -0.602 175.671 176.117 0.259 0.000 1.046 336 I CA 0.305 61.706 61.300 0.167 0.000 1.282 336 I CB 0.120 38.241 38.000 0.202 0.000 1.409 336 I HN 0.407 nan 8.210 nan 0.000 0.484 337 L N 6.379 127.708 121.223 0.177 0.000 2.303 337 L HA 0.671 5.320 4.340 0.515 0.000 0.266 337 L C -0.563 176.368 176.870 0.101 0.000 1.011 337 L CA -0.970 53.992 54.840 0.205 0.000 0.818 337 L CB 1.767 43.899 42.059 0.122 0.000 1.326 337 L HN 0.328 nan 8.230 nan 0.000 0.435 338 L N -0.139 121.144 121.223 0.100 0.000 2.333 338 L HA 0.413 5.062 4.340 0.515 0.000 0.269 338 L C 0.715 177.617 176.870 0.054 0.000 1.010 338 L CA -0.357 54.491 54.840 0.014 0.000 0.818 338 L CB 2.085 44.118 42.059 -0.042 0.000 1.306 338 L HN 0.765 nan 8.230 nan 0.000 0.430 339 S N -0.705 115.017 115.700 0.037 0.000 2.517 339 S HA 0.443 5.222 4.470 0.515 0.000 0.214 339 S C 0.476 175.111 174.600 0.058 0.000 0.991 339 S CA 0.175 58.403 58.200 0.047 0.000 0.906 339 S CB 0.477 63.698 63.200 0.035 0.000 0.789 339 S HN 0.909 nan 8.310 nan 0.000 0.513 340 G N 0.177 109.014 108.800 0.061 0.000 2.368 340 G HA2 0.425 4.694 3.960 0.515 0.000 0.293 340 G HA3 0.425 4.694 3.960 0.515 0.000 0.293 340 G C -1.418 173.528 174.900 0.077 0.000 1.467 340 G CA -0.659 44.492 45.100 0.086 0.000 0.804 340 G HN 0.214 nan 8.290 nan 0.000 0.535 341 V N 1.413 121.390 119.914 0.105 0.000 2.509 341 V HA 0.375 4.804 4.120 0.515 0.000 0.297 341 V C 1.769 177.876 176.094 0.021 0.000 1.014 341 V CA 2.274 64.612 62.300 0.063 0.000 1.127 341 V CB 0.407 32.282 31.823 0.088 0.000 0.925 341 V HN 2.476 nan 8.190 nan 0.000 0.480 342 G N 4.823 113.608 108.800 -0.023 0.000 2.179 342 G HA2 -0.245 4.024 3.960 0.515 0.000 0.260 342 G HA3 -0.245 4.024 3.960 0.515 0.000 0.260 342 G C 0.074 174.949 174.900 -0.042 0.000 0.977 342 G CA 0.172 45.254 45.100 -0.029 0.000 0.641 342 G HN 0.647 nan 8.290 nan 0.000 0.533 343 K N 1.511 121.887 120.400 -0.039 0.000 2.473 343 K HA 0.549 5.178 4.320 0.515 0.000 0.246 343 K C -2.616 173.953 176.600 -0.053 0.000 1.011 343 K CA -1.987 54.279 56.287 -0.035 0.000 0.984 343 K CB 1.943 34.439 32.500 -0.007 0.000 1.250 343 K HN 0.096 nan 8.250 nan 0.000 0.454 344 P HA 0.028 nan 4.420 nan 0.000 0.268 344 P C -0.862 176.423 177.300 -0.026 0.000 1.205 344 P CA -0.282 62.769 63.100 -0.082 0.000 0.771 344 P CB 0.872 32.513 31.700 -0.098 0.000 0.858 345 A N 4.521 127.341 122.820 -0.000 0.000 2.309 345 A HA 0.499 5.128 4.320 0.515 0.000 0.290 345 A C -0.028 177.591 177.584 0.058 0.000 1.206 345 A CA -0.274 51.785 52.037 0.037 0.000 0.850 345 A CB -0.347 18.686 19.000 0.055 0.000 1.118 345 A HN 0.379 nan 8.150 nan 0.000 0.523 346 M N 2.096 121.733 119.600 0.062 0.000 2.314 346 M HA 0.343 5.132 4.480 0.515 0.000 0.342 346 M C -1.044 175.341 176.300 0.143 0.000 1.171 346 M CA -0.272 55.073 55.300 0.075 0.000 1.098 346 M CB 0.999 33.617 32.600 0.030 0.000 1.559 346 M HN 0.697 nan 8.290 nan 0.000 0.459 347 Y N 2.158 122.463 120.300 0.008 0.000 2.330 347 Y HA 0.219 5.078 4.550 0.515 0.000 0.324 347 Y C 0.386 176.292 175.900 0.010 0.000 1.093 347 Y CA -0.443 57.663 58.100 0.011 0.000 1.103 347 Y CB 1.031 39.500 38.460 0.015 0.000 1.183 347 Y HN 0.936 nan 8.280 nan 0.000 0.433 348 N N 5.016 123.391 118.700 -0.542 0.000 2.735 348 N HA -0.286 4.763 4.740 0.515 0.000 0.248 348 N C -0.349 175.083 175.510 -0.129 0.000 1.083 348 N CA 1.277 54.102 53.050 -0.375 0.000 0.703 348 N CB -0.359 37.886 38.487 -0.403 0.000 1.005 348 N HN 1.025 nan 8.380 nan 0.000 0.550 349 Q N -2.771 116.978 119.800 -0.085 0.000 2.481 349 Q HA -0.202 4.447 4.340 0.515 0.000 0.258 349 Q C -0.808 175.194 176.000 0.003 0.000 0.961 349 Q CA 1.564 57.348 55.803 -0.032 0.000 1.121 349 Q CB -1.679 27.039 28.738 -0.033 0.000 1.503 349 Q HN 0.542 nan 8.270 nan 0.000 0.544 350 T N -0.579 113.994 114.554 0.033 0.000 2.906 350 T HA 0.526 5.185 4.350 0.515 0.000 0.295 350 T C 0.694 175.447 174.700 0.088 0.000 1.075 350 T CA -0.769 61.370 62.100 0.066 0.000 1.005 350 T CB 1.322 70.246 68.868 0.095 0.000 1.136 350 T HN 0.152 nan 8.240 nan 0.000 0.498 351 L N 1.282 122.547 121.223 0.070 0.000 2.591 351 L HA 0.333 4.982 4.340 0.515 0.000 0.228 351 L C 0.018 176.937 176.870 0.082 0.000 1.133 351 L CA 0.402 55.279 54.840 0.062 0.000 0.880 351 L CB -0.045 42.030 42.059 0.026 0.000 1.033 351 L HN 0.284 nan 8.230 nan 0.000 0.450 352 L N 0.454 121.739 121.223 0.104 0.000 2.270 352 L HA 0.249 4.898 4.340 0.515 0.000 0.286 352 L C -0.076 176.833 176.870 0.065 0.000 1.059 352 L CA -0.150 54.741 54.840 0.085 0.000 0.839 352 L CB 1.049 43.157 42.059 0.082 0.000 1.221 352 L HN -0.034 nan 8.230 nan 0.000 0.431 353 T N 4.849 119.394 114.554 -0.015 0.000 2.806 353 T HA 0.291 4.950 4.350 0.515 0.000 0.290 353 T C -2.325 172.216 174.700 -0.264 0.000 0.966 353 T CA -1.145 60.828 62.100 -0.212 0.000 1.060 353 T CB 1.178 69.979 68.868 -0.112 0.000 0.927 353 T HN 0.331 nan 8.240 nan 0.000 0.485 354 P HA 0.287 nan 4.420 nan 0.000 0.276 354 P C -1.087 176.095 177.300 -0.197 0.000 1.235 354 P CA -0.299 62.636 63.100 -0.276 0.000 0.772 354 P CB 0.724 32.234 31.700 -0.316 0.000 0.871 355 V N 4.915 124.760 119.914 -0.115 0.000 2.531 355 V HA 0.309 4.738 4.120 0.515 0.000 0.301 355 V C 0.737 176.787 176.094 -0.074 0.000 1.034 355 V CA -1.000 61.249 62.300 -0.085 0.000 0.865 355 V CB 1.850 33.640 31.823 -0.056 0.000 0.995 355 V HN 0.482 nan 8.190 nan 0.000 0.424 356 R N 3.470 123.928 120.500 -0.070 0.000 2.538 356 R HA 0.094 4.743 4.340 0.515 0.000 0.282 356 R C 1.178 177.428 176.300 -0.082 0.000 1.009 356 R CA -0.138 55.922 56.100 -0.068 0.000 1.063 356 R CB 0.537 30.802 30.300 -0.058 0.000 0.945 356 R HN 0.583 nan 8.270 nan 0.000 0.414 357 K N 1.936 122.278 120.400 -0.097 0.000 2.113 357 K HA -0.143 4.486 4.320 0.515 0.000 0.208 357 K C 1.762 178.270 176.600 -0.154 0.000 1.047 357 K CA 1.748 57.951 56.287 -0.140 0.000 0.928 357 K CB -0.297 32.109 32.500 -0.156 0.000 0.716 357 K HN 0.575 nan 8.250 nan 0.000 0.446 358 T N 2.531 117.017 114.554 -0.114 0.000 2.624 358 T HA -0.149 4.510 4.350 0.515 0.000 0.268 358 T C 2.060 176.707 174.700 -0.089 0.000 1.041 358 T CA 1.415 63.457 62.100 -0.097 0.000 1.159 358 T CB -0.283 68.545 68.868 -0.065 0.000 0.863 358 T HN 0.156 nan 8.240 nan 0.000 0.434 359 L N -0.115 121.063 121.223 -0.076 0.000 2.109 359 L HA 0.041 4.690 4.340 0.515 0.000 0.207 359 L C 2.495 179.319 176.870 -0.077 0.000 1.086 359 L CA 0.964 55.765 54.840 -0.065 0.000 0.760 359 L CB -0.582 41.447 42.059 -0.050 0.000 0.910 359 L HN 0.260 nan 8.230 nan 0.000 0.437 360 I N -0.056 120.461 120.570 -0.088 0.000 2.252 360 I HA -0.266 4.213 4.170 0.515 0.000 0.245 360 I C 2.488 178.558 176.117 -0.078 0.000 1.102 360 I CA 1.388 62.641 61.300 -0.078 0.000 1.385 360 I CB -0.200 37.752 38.000 -0.080 0.000 1.064 360 I HN 0.189 nan 8.210 nan 0.000 0.414 361 K N 0.351 120.644 120.400 -0.178 0.000 2.148 361 K HA -0.208 4.421 4.320 0.515 0.000 0.204 361 K C 2.040 178.686 176.600 0.076 0.000 1.050 361 K CA 1.154 57.343 56.287 -0.162 0.000 0.942 361 K CB -0.122 32.112 32.500 -0.444 0.000 0.724 361 K HN 0.334 nan 8.250 nan 0.000 0.446 362 E N 0.909 121.095 120.200 -0.023 0.000 2.051 362 E HA -0.180 4.480 4.350 0.515 0.000 0.192 362 E C 2.008 178.563 176.600 -0.074 0.000 0.991 362 E CA 1.035 57.420 56.400 -0.024 0.000 0.799 362 E CB 0.060 29.734 29.700 -0.043 0.000 0.748 362 E HN 0.064 nan 8.360 nan 0.000 0.449 363 V N 0.963 120.784 119.914 -0.154 0.000 2.427 363 V HA -0.202 4.227 4.120 0.515 0.000 0.248 363 V C 2.201 177.952 176.094 -0.573 0.000 1.051 363 V CA 1.438 63.520 62.300 -0.363 0.000 1.048 363 V CB -0.255 31.309 31.823 -0.431 0.000 0.666 363 V HN 0.326 nan 8.190 nan 0.000 0.456 364 I N -0.504 119.889 120.570 -0.295 0.000 2.315 364 I HA -0.204 4.275 4.170 0.515 0.000 0.248 364 I C 2.702 178.788 176.117 -0.052 0.000 1.117 364 I CA 1.647 62.879 61.300 -0.115 0.000 1.404 364 I CB -0.416 37.739 38.000 0.257 0.000 1.071 364 I HN 0.212 nan 8.210 nan 0.000 0.419 365 R N 1.075 121.581 120.500 0.010 0.000 2.092 365 R HA -0.177 4.472 4.340 0.515 0.000 0.231 365 R C 2.157 178.445 176.300 -0.020 0.000 1.119 365 R CA 1.591 57.695 56.100 0.007 0.000 0.970 365 R CB -0.000 30.342 30.300 0.070 0.000 0.864 365 R HN 0.544 nan 8.270 nan 0.000 0.440 366 E N -0.737 119.433 120.200 -0.050 0.000 2.285 366 E HA 0.081 4.740 4.350 0.515 0.000 0.194 366 E C 1.015 177.617 176.600 0.002 0.000 0.997 366 E CA 0.477 56.860 56.400 -0.029 0.000 0.845 366 E CB -0.025 29.652 29.700 -0.039 0.000 0.782 366 E HN 0.310 nan 8.360 nan 0.000 0.491 367 G N 1.285 110.088 108.800 0.004 0.000 2.569 367 G HA2 -0.186 4.083 3.960 0.515 0.000 0.259 367 G HA3 -0.186 4.083 3.960 0.515 0.000 0.259 367 G C -0.284 174.735 174.900 0.200 0.000 1.263 367 G CA 0.417 45.602 45.100 0.142 0.000 0.928 367 G HN 0.554 nan 8.290 nan 0.000 0.572 368 L N 0.000 121.338 121.223 0.191 0.000 2.949 368 L HA 0.000 4.649 4.340 0.515 0.000 0.249 368 L CA 0.000 54.961 54.840 0.201 0.000 0.813 368 L CB 0.000 42.206 42.059 0.245 0.000 0.961 368 L HN 0.000 nan 8.230 nan 0.000 0.502