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 1i7s_1_C DATA FIRST_RESID 4 DATA SEQUENCE TKPQLTLLKV QASYRGDPTT LFHQLCGARP ATLLLESAEX XXXXXLQSLL DATA SEQUENCE VIDSALRITA LGHTVSVQAL TANGPALLPL LDEALPPEVR NQARPNGREL DATA SEQUENCE TFPAIDAVQD EDARLRSLSV FDALRTILTL VDSPADEREA VMLGGLFAYD DATA SEQUENCE LVAGFENLPA LRQDQRCPDF CFYLAETLLV LDHQRGSARL QASVFSEQAS DATA SEQUENCE EAQRLQHRLE QLQAELQQPP QPIPHQKLEN MQLSCNQSDE EYGAVVSELQ DATA SEQUENCE EAIRQGEIFQ VVPSRRFSLP CPAPLGPYQT LKDNNPSPYM FFMQDDDFTL DATA SEQUENCE FGASPESALK YDAGNRQIEI YPIAGTRPRG RRADGSLDLD LDSRIELEMR DATA SEQUENCE TDHKELAEHL MLVDLARNDL ARICQAGSRY VADLTKVDRY SFVMHLVSRV DATA SEQUENCE VGTLRADLDV LHAYQACMNM GTLSGAPKVR AMQLIAALRS TRRGSYGGRV DATA SEQUENCE GYFTAVRNLD TCIVIRSAYV EDGHRTVQAG AGVVQDSIPE READETRNKA DATA SEQUENCE RAVLRAIATA HHAKEVF 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.714 174.700 0.023 0.000 1.109 4 T CA 0.000 62.112 62.100 0.020 0.000 1.349 4 T CB 0.000 68.880 68.868 0.021 0.000 0.612 5 K N 1.572 121.988 120.400 0.026 0.000 2.276 5 K HA 0.512 5.085 4.320 0.421 0.000 0.259 5 K C -2.437 174.183 176.600 0.033 0.000 1.001 5 K CA -1.111 55.194 56.287 0.030 0.000 0.927 5 K CB 0.062 32.582 32.500 0.033 0.000 0.969 5 K HN 0.336 nan 8.250 nan 0.000 0.490 6 P HA -0.106 nan 4.420 nan 0.000 0.270 6 P C -1.032 176.294 177.300 0.044 0.000 1.216 6 P CA 0.054 63.179 63.100 0.041 0.000 0.788 6 P CB 0.434 32.166 31.700 0.055 0.000 0.883 7 Q N 0.576 120.398 119.800 0.037 0.000 2.322 7 Q HA 0.462 5.055 4.340 0.421 0.000 0.265 7 Q C -0.947 175.074 176.000 0.035 0.000 0.985 7 Q CA -0.588 55.235 55.803 0.034 0.000 0.849 7 Q CB 0.924 29.673 28.738 0.019 0.000 1.274 7 Q HN 0.346 nan 8.270 nan 0.000 0.449 8 L N 2.486 123.739 121.223 0.049 0.000 2.416 8 L HA 0.414 5.007 4.340 0.421 0.000 0.272 8 L C -0.677 176.188 176.870 -0.008 0.000 1.161 8 L CA 0.271 55.136 54.840 0.041 0.000 0.845 8 L CB 0.882 42.996 42.059 0.092 0.000 1.119 8 L HN 0.543 nan 8.230 nan 0.000 0.464 9 T N 5.996 120.516 114.554 -0.056 0.000 2.770 9 T HA 0.389 4.992 4.350 0.421 0.000 0.283 9 T C -0.603 174.041 174.700 -0.093 0.000 0.988 9 T CA -0.295 61.765 62.100 -0.066 0.000 0.957 9 T CB 1.104 69.928 68.868 -0.074 0.000 0.930 9 T HN 0.349 nan 8.240 nan 0.000 0.443 10 L N 5.715 126.899 121.223 -0.064 0.000 2.277 10 L HA 0.474 5.066 4.340 0.421 0.000 0.284 10 L C -0.576 176.257 176.870 -0.063 0.000 1.028 10 L CA -0.375 54.425 54.840 -0.067 0.000 0.835 10 L CB 0.342 42.377 42.059 -0.039 0.000 1.215 10 L HN 0.603 nan 8.230 nan 0.000 0.425 11 L N 6.206 127.382 121.223 -0.079 0.000 2.401 11 L HA 0.252 4.845 4.340 0.421 0.000 0.283 11 L C 0.394 177.233 176.870 -0.052 0.000 1.151 11 L CA -0.204 54.597 54.840 -0.066 0.000 0.942 11 L CB -0.395 41.617 42.059 -0.080 0.000 1.283 11 L HN 0.555 nan 8.230 nan 0.000 0.442 12 K N 2.498 122.874 120.400 -0.039 0.000 2.154 12 K HA 0.684 5.256 4.320 0.421 0.000 0.264 12 K C -0.552 176.033 176.600 -0.025 0.000 1.008 12 K CA -0.631 55.638 56.287 -0.030 0.000 0.937 12 K CB 2.225 34.711 32.500 -0.023 0.000 1.002 12 K HN 0.203 nan 8.250 nan 0.000 0.469 13 V N 1.173 121.074 119.914 -0.022 0.000 3.087 13 V HA 0.115 4.488 4.120 0.421 0.000 0.306 13 V C -1.270 174.818 176.094 -0.011 0.000 1.187 13 V CA -1.149 61.142 62.300 -0.016 0.000 0.999 13 V CB 2.185 33.997 31.823 -0.018 0.000 1.049 13 V HN 0.856 nan 8.190 nan 0.000 0.431 14 Q N 2.400 122.196 119.800 -0.006 0.000 2.235 14 Q HA 0.919 5.512 4.340 0.421 0.000 0.256 14 Q C -0.619 175.382 176.000 0.001 0.000 0.951 14 Q CA -0.400 55.403 55.803 0.000 0.000 0.890 14 Q CB 2.143 30.882 28.738 0.002 0.000 1.279 14 Q HN 1.219 nan 8.270 nan 0.000 0.444 15 A N 1.239 124.063 122.820 0.008 0.000 2.604 15 A HA 0.670 5.243 4.320 0.421 0.000 0.295 15 A C -0.831 176.768 177.584 0.025 0.000 1.067 15 A CA -0.659 51.382 52.037 0.007 0.000 0.683 15 A CB 1.280 20.274 19.000 -0.009 0.000 1.281 15 A HN 1.009 nan 8.150 nan 0.000 0.407 16 S N 0.813 116.526 115.700 0.022 0.000 2.537 16 S HA 0.341 5.063 4.470 0.421 0.000 0.286 16 S C 0.111 174.746 174.600 0.060 0.000 1.299 16 S CA -0.092 58.137 58.200 0.048 0.000 1.067 16 S CB -0.113 63.106 63.200 0.031 0.000 0.864 16 S HN 1.053 nan 8.310 nan 0.000 0.494 17 Y N 2.746 123.043 120.300 -0.006 0.000 2.452 17 Y HA 0.167 4.969 4.550 0.421 0.000 0.355 17 Y C 0.803 176.705 175.900 0.004 0.000 1.266 17 Y CA 0.375 58.473 58.100 -0.004 0.000 1.514 17 Y CB 0.483 38.942 38.460 -0.001 0.000 1.363 17 Y HN 0.634 nan 8.280 nan 0.000 0.677 18 R N 2.335 122.031 120.500 -1.340 0.000 2.921 18 R HA 0.220 4.813 4.340 0.421 0.000 0.269 18 R C -0.800 175.020 176.300 -0.799 0.000 1.696 18 R CA -0.190 55.470 56.100 -0.733 0.000 1.161 18 R CB 0.803 30.868 30.300 -0.391 0.000 1.337 18 R HN 0.910 nan 8.270 nan 0.000 0.496 19 G N 2.185 110.866 108.800 -0.198 0.000 3.064 19 G HA2 0.245 4.458 3.960 0.421 0.000 0.286 19 G HA3 0.245 4.458 3.960 0.421 0.000 0.286 19 G C 0.468 175.417 174.900 0.081 0.000 0.834 19 G CA -0.035 45.185 45.100 0.200 0.000 1.856 19 G HN 0.678 nan 8.290 nan 0.000 0.559 20 D N 0.805 121.221 120.400 0.026 0.000 2.481 20 D HA -0.053 4.839 4.640 0.421 0.000 0.568 20 D C -1.598 174.727 176.300 0.042 0.000 0.968 20 D CA -0.232 53.788 54.000 0.033 0.000 1.126 20 D CB -0.731 40.083 40.800 0.024 0.000 1.576 20 D HN 0.242 nan 8.370 nan 0.000 0.365 21 P HA -0.358 nan 4.420 nan 0.000 0.232 21 P C 1.507 178.879 177.300 0.120 0.000 0.720 21 P CA 3.816 66.970 63.100 0.089 0.000 1.130 21 P CB -1.129 30.645 31.700 0.125 0.000 0.631 22 T N -2.248 112.370 114.554 0.107 0.000 2.665 22 T HA -0.173 4.430 4.350 0.421 0.000 0.268 22 T C 1.720 176.491 174.700 0.117 0.000 1.035 22 T CA 2.296 64.462 62.100 0.109 0.000 1.151 22 T CB -1.076 67.844 68.868 0.086 0.000 0.862 22 T HN 0.297 nan 8.240 nan 0.000 0.438 23 T N 1.435 116.043 114.554 0.091 0.000 2.985 23 T HA 0.091 4.694 4.350 0.421 0.000 0.266 23 T C 1.819 176.601 174.700 0.137 0.000 1.076 23 T CA 0.294 62.461 62.100 0.111 0.000 1.135 23 T CB -0.296 68.612 68.868 0.067 0.000 0.890 23 T HN 0.129 nan 8.240 nan 0.000 0.480 24 L N 0.735 122.021 121.223 0.106 0.000 2.017 24 L HA 0.057 4.650 4.340 0.421 0.000 0.208 24 L C 1.920 178.853 176.870 0.104 0.000 1.073 24 L CA 1.799 56.682 54.840 0.072 0.000 0.745 24 L CB -0.963 41.118 42.059 0.037 0.000 0.894 24 L HN 0.312 nan 8.230 nan 0.000 0.432 25 F N -0.123 119.842 119.950 0.025 0.000 2.095 25 F HA -0.316 4.464 4.527 0.423 0.000 0.298 25 F C 2.658 178.493 175.800 0.059 0.000 1.104 25 F CA 2.178 60.199 58.000 0.034 0.000 1.232 25 F CB -0.577 38.440 39.000 0.028 0.000 0.987 25 F HN 0.445 nan 8.300 nan 0.000 0.475 26 H N 0.083 119.219 119.070 0.110 0.000 2.426 26 H HA -0.187 4.622 4.556 0.421 0.000 0.298 26 H C 2.286 177.566 175.328 -0.081 0.000 1.107 26 H CA 2.357 58.411 56.048 0.011 0.000 1.298 26 H CB -0.400 29.390 29.762 0.046 0.000 1.377 26 H HN 0.517 nan 8.280 nan 0.000 0.519 27 Q N 0.009 119.730 119.800 -0.133 0.000 1.969 27 Q HA -0.058 4.535 4.340 0.421 0.000 0.198 27 Q C 1.838 177.702 176.000 -0.226 0.000 0.978 27 Q CA 1.561 57.242 55.803 -0.202 0.000 0.830 27 Q CB 0.038 28.725 28.738 -0.085 0.000 0.896 27 Q HN 0.615 nan 8.270 nan 0.000 0.431 28 L N -0.602 120.501 121.223 -0.200 0.000 2.693 28 L HA 0.077 4.670 4.340 0.421 0.000 0.242 28 L C 1.073 177.762 176.870 -0.303 0.000 1.157 28 L CA -0.229 54.486 54.840 -0.208 0.000 0.929 28 L CB -0.028 41.940 42.059 -0.151 0.000 1.103 28 L HN 0.264 nan 8.230 nan 0.000 0.430 29 C N -1.430 117.623 119.300 -0.412 0.000 4.498 29 C HA 0.412 5.124 4.460 0.421 0.000 0.505 29 C C 1.930 176.732 174.990 -0.313 0.000 1.553 29 C CA -0.039 58.694 59.018 -0.476 0.000 2.306 29 C CB -0.077 27.020 27.740 -1.071 0.000 3.422 29 C HN 0.740 nan 8.230 nan 0.000 0.612 30 G N 2.044 110.672 108.800 -0.287 0.000 2.698 30 G HA2 -0.254 3.959 3.960 0.421 0.000 0.346 30 G HA3 -0.254 3.959 3.960 0.421 0.000 0.346 30 G C 1.038 175.930 174.900 -0.013 0.000 1.287 30 G CA 1.117 46.119 45.100 -0.164 0.000 0.990 30 G HN 1.289 nan 8.290 nan 0.000 0.545 31 A N 0.138 122.959 122.820 0.001 0.000 2.308 31 A HA 0.451 5.024 4.320 0.421 0.000 0.217 31 A C 1.326 178.919 177.584 0.015 0.000 1.216 31 A CA 0.633 52.701 52.037 0.051 0.000 0.864 31 A CB -0.006 19.022 19.000 0.047 0.000 0.902 31 A HN 0.566 nan 8.150 nan 0.000 0.499 32 R N 1.732 122.210 120.500 -0.036 0.000 2.480 32 R HA 0.140 4.733 4.340 0.421 0.000 0.303 32 R C -2.343 173.923 176.300 -0.056 0.000 0.985 32 R CA -1.083 54.981 56.100 -0.061 0.000 1.051 32 R CB 0.082 30.323 30.300 -0.099 0.000 0.935 32 R HN 0.324 nan 8.270 nan 0.000 0.410 33 P HA -0.021 nan 4.420 nan 0.000 0.273 33 P C -0.286 176.872 177.300 -0.236 0.000 1.250 33 P CA 0.011 63.034 63.100 -0.128 0.000 0.793 33 P CB 0.673 32.298 31.700 -0.124 0.000 1.011 34 A N -1.127 121.432 122.820 -0.435 0.000 2.872 34 A HA -0.114 4.459 4.320 0.421 0.000 0.273 34 A C 0.507 177.694 177.584 -0.661 0.000 1.442 34 A CA 1.315 52.712 52.037 -1.067 0.000 0.801 34 A CB -2.918 15.625 19.000 -0.761 0.000 1.031 34 A HN 0.802 nan 8.150 nan 0.000 0.582 35 T N -2.438 112.037 114.554 -0.132 0.000 2.885 35 T HA 0.771 5.374 4.350 0.421 0.000 0.285 35 T C -0.659 174.331 174.700 0.484 0.000 1.019 35 T CA -0.459 61.757 62.100 0.195 0.000 1.010 35 T CB 2.106 71.083 68.868 0.182 0.000 1.022 35 T HN 1.563 nan 8.240 nan 0.000 0.466 36 L N 2.414 123.948 121.223 0.519 0.000 2.470 36 L HA 0.745 5.338 4.340 0.421 0.000 0.268 36 L C -1.863 175.170 176.870 0.270 0.000 0.964 36 L CA -1.023 54.039 54.840 0.369 0.000 0.839 36 L CB 2.011 44.261 42.059 0.318 0.000 1.276 36 L HN 0.811 nan 8.230 nan 0.000 0.403 37 L N 6.120 127.357 121.223 0.023 0.000 2.319 37 L HA 0.603 5.196 4.340 0.421 0.000 0.281 37 L C -1.591 175.336 176.870 0.096 0.000 1.005 37 L CA -0.186 54.630 54.840 -0.040 0.000 0.828 37 L CB 1.279 43.046 42.059 -0.486 0.000 1.227 37 L HN 0.576 nan 8.230 nan 0.000 0.415 38 L N 5.377 126.696 121.223 0.161 0.000 2.371 38 L HA 0.485 5.078 4.340 0.421 0.000 0.262 38 L C -0.027 176.957 176.870 0.189 0.000 1.054 38 L CA -0.254 54.726 54.840 0.232 0.000 0.924 38 L CB 1.014 43.224 42.059 0.252 0.000 1.295 38 L HN 0.646 nan 8.230 nan 0.000 0.441 39 E N 1.637 121.955 120.200 0.198 0.000 2.197 39 E HA 0.343 4.946 4.350 0.421 0.000 0.281 39 E C -0.719 175.943 176.600 0.103 0.000 0.995 39 E CA -0.305 56.197 56.400 0.171 0.000 0.808 39 E CB 1.392 31.206 29.700 0.190 0.000 1.093 39 E HN 0.383 nan 8.360 nan 0.000 0.394 40 S N 2.191 117.928 115.700 0.062 0.000 2.541 40 S HA 0.419 5.142 4.470 0.421 0.000 0.283 40 S C 0.029 174.490 174.600 -0.231 0.000 1.196 40 S CA -0.424 57.727 58.200 -0.083 0.000 1.062 40 S CB 1.590 64.769 63.200 -0.036 0.000 1.009 40 S HN 0.632 nan 8.310 nan 0.000 0.502 41 A N 2.687 125.380 122.820 -0.211 0.000 2.684 41 A HA 0.601 5.174 4.320 0.421 0.000 0.288 41 A C 0.060 177.479 177.584 -0.274 0.000 1.337 41 A CA -0.169 51.726 52.037 -0.237 0.000 0.946 41 A CB -0.585 18.309 19.000 -0.176 0.000 1.093 41 A HN 0.779 nan 8.150 nan 0.000 0.543 50 Q N 1.627 121.544 119.800 0.195 0.000 3.149 50 Q HA -0.106 4.486 4.340 0.421 0.000 0.055 50 Q C -1.557 174.517 176.000 0.124 0.000 1.662 50 Q CA 0.533 56.332 55.803 -0.007 0.000 0.281 50 Q CB -0.021 28.732 28.738 0.025 0.000 0.584 50 Q HN 0.643 nan 8.270 nan 0.000 0.322 51 S N 3.511 119.198 115.700 -0.020 0.000 2.594 51 S HA 0.769 5.492 4.470 0.421 0.000 0.296 51 S C -1.414 173.199 174.600 0.022 0.000 1.124 51 S CA -0.662 57.610 58.200 0.119 0.000 1.011 51 S CB 0.898 64.223 63.200 0.209 0.000 1.016 51 S HN 0.419 nan 8.310 nan 0.000 0.485 52 L N 3.669 124.920 121.223 0.046 0.000 2.329 52 L HA 0.664 5.257 4.340 0.421 0.000 0.279 52 L C -1.056 175.859 176.870 0.075 0.000 1.014 52 L CA -0.437 54.409 54.840 0.009 0.000 0.814 52 L CB 1.222 43.233 42.059 -0.079 0.000 1.257 52 L HN 0.418 nan 8.230 nan 0.000 0.424 53 L N 3.661 124.932 121.223 0.080 0.000 2.343 53 L HA 0.490 5.083 4.340 0.421 0.000 0.278 53 L C -0.544 176.408 176.870 0.135 0.000 0.996 53 L CA -0.187 54.754 54.840 0.168 0.000 0.831 53 L CB 2.000 44.168 42.059 0.180 0.000 1.232 53 L HN 0.238 nan 8.230 nan 0.000 0.413 54 V N 5.703 125.729 119.914 0.186 0.000 2.372 54 V HA 0.189 4.562 4.120 0.421 0.000 0.261 54 V C 1.267 177.440 176.094 0.133 0.000 1.055 54 V CA 0.116 62.503 62.300 0.146 0.000 0.930 54 V CB 0.672 32.612 31.823 0.194 0.000 1.031 54 V HN 0.676 nan 8.190 nan 0.000 0.479 55 I N 2.200 122.802 120.570 0.054 0.000 2.400 55 I HA 0.098 4.521 4.170 0.421 0.000 0.248 55 I C 0.213 176.308 176.117 -0.037 0.000 1.109 55 I CA 1.003 62.295 61.300 -0.014 0.000 1.425 55 I CB 0.225 38.199 38.000 -0.044 0.000 1.094 55 I HN 0.515 nan 8.210 nan 0.000 0.425 56 D N 0.433 120.824 120.400 -0.016 0.000 2.896 56 D HA 0.364 5.256 4.640 0.421 0.000 0.241 56 D C -0.996 175.307 176.300 0.005 0.000 1.188 56 D CA -0.145 53.839 54.000 -0.028 0.000 0.879 56 D CB 2.218 42.999 40.800 -0.030 0.000 1.553 56 D HN -0.126 nan 8.370 nan 0.000 0.515 57 S N 0.299 115.989 115.700 -0.017 0.000 2.501 57 S HA 0.574 5.296 4.470 0.421 0.000 0.301 57 S C 0.957 175.583 174.600 0.043 0.000 1.096 57 S CA -0.709 57.508 58.200 0.029 0.000 1.063 57 S CB 2.090 65.278 63.200 -0.021 0.000 1.042 57 S HN 0.536 nan 8.310 nan 0.000 0.494 58 A N 2.382 125.272 122.820 0.118 0.000 1.930 58 A HA 0.363 4.936 4.320 0.421 0.000 0.215 58 A C 0.447 178.075 177.584 0.074 0.000 1.176 58 A CA 0.796 52.913 52.037 0.133 0.000 0.632 58 A CB -0.216 18.976 19.000 0.320 0.000 0.819 58 A HN 0.705 nan 8.150 nan 0.000 0.445 59 L N -1.711 119.548 121.223 0.061 0.000 2.350 59 L HA 0.553 5.146 4.340 0.421 0.000 0.260 59 L C -0.176 176.756 176.870 0.105 0.000 1.015 59 L CA -0.862 54.013 54.840 0.058 0.000 0.821 59 L CB 2.206 44.285 42.059 0.034 0.000 1.370 59 L HN 0.270 nan 8.230 nan 0.000 0.416 60 R N 2.258 122.833 120.500 0.124 0.000 2.483 60 R HA 0.649 5.242 4.340 0.421 0.000 0.303 60 R C -1.713 174.719 176.300 0.219 0.000 0.987 60 R CA -0.395 55.835 56.100 0.217 0.000 0.881 60 R CB 1.073 31.455 30.300 0.138 0.000 1.177 60 R HN 0.595 nan 8.270 nan 0.000 0.451 61 I N 4.409 125.150 120.570 0.285 0.000 2.362 61 I HA 0.338 4.761 4.170 0.421 0.000 0.289 61 I C 0.116 176.473 176.117 0.400 0.000 0.994 61 I CA -0.742 60.751 61.300 0.321 0.000 1.158 61 I CB 1.955 40.170 38.000 0.358 0.000 1.315 61 I HN 0.654 nan 8.210 nan 0.000 0.451 62 T N 2.518 117.239 114.554 0.280 0.000 2.930 62 T HA 0.920 5.523 4.350 0.421 0.000 0.290 62 T C -0.539 174.086 174.700 -0.124 0.000 1.052 62 T CA -0.831 61.363 62.100 0.157 0.000 1.017 62 T CB 2.340 71.272 68.868 0.107 0.000 1.137 62 T HN 0.695 nan 8.240 nan 0.000 0.511 63 A N 0.948 123.480 122.820 -0.479 0.000 2.515 63 A HA 0.914 5.487 4.320 0.421 0.000 0.296 63 A C -1.523 175.854 177.584 -0.345 0.000 1.094 63 A CA -0.946 50.688 52.037 -0.672 0.000 0.718 63 A CB 1.760 19.735 19.000 -1.707 0.000 1.307 63 A HN 1.291 nan 8.150 nan 0.000 0.408 64 L N 0.772 121.865 121.223 -0.217 0.000 2.795 64 L HA 0.592 5.185 4.340 0.421 0.000 0.260 64 L C 0.397 177.238 176.870 -0.049 0.000 0.935 64 L CA 1.582 56.358 54.840 -0.106 0.000 0.985 64 L CB 1.219 43.246 42.059 -0.053 0.000 1.433 64 L HN 2.513 nan 8.230 nan 0.000 0.447 65 G N 3.428 112.210 108.800 -0.031 0.000 2.564 65 G HA2 -0.311 3.902 3.960 0.421 0.000 0.273 65 G HA3 -0.311 3.902 3.960 0.421 0.000 0.273 65 G C 0.423 175.376 174.900 0.090 0.000 1.242 65 G CA 0.470 45.606 45.100 0.061 0.000 0.951 65 G HN 1.010 nan 8.290 nan 0.000 0.564 66 H N -0.083 118.963 119.070 -0.041 0.000 2.538 66 H HA 0.378 5.187 4.556 0.422 0.000 0.286 66 H C 0.403 175.813 175.328 0.136 0.000 1.035 66 H CA 0.411 56.474 56.048 0.025 0.000 1.169 66 H CB 0.047 29.845 29.762 0.059 0.000 1.417 66 H HN 0.285 nan 8.280 nan 0.000 0.567 67 T N 2.321 116.971 114.554 0.160 0.000 2.797 67 T HA 0.346 4.948 4.350 0.421 0.000 0.279 67 T C -0.116 174.628 174.700 0.074 0.000 0.991 67 T CA -0.553 61.618 62.100 0.118 0.000 0.979 67 T CB 2.094 70.986 68.868 0.040 0.000 0.943 67 T HN 0.001 nan 8.240 nan 0.000 0.444 68 V N 3.250 123.251 119.914 0.145 0.000 2.555 68 V HA 0.559 4.931 4.120 0.421 0.000 0.302 68 V C -0.061 176.094 176.094 0.102 0.000 1.038 68 V CA -0.841 61.522 62.300 0.106 0.000 0.887 68 V CB 2.108 34.102 31.823 0.285 0.000 0.991 68 V HN 0.920 nan 8.190 nan 0.000 0.434 69 S N 2.997 118.748 115.700 0.084 0.000 2.475 69 S HA 0.743 5.466 4.470 0.421 0.000 0.298 69 S C -0.487 174.186 174.600 0.122 0.000 1.119 69 S CA -0.636 57.615 58.200 0.086 0.000 1.085 69 S CB 1.739 64.980 63.200 0.068 0.000 1.028 69 S HN 0.544 nan 8.310 nan 0.000 0.489 70 V N 2.951 122.927 119.914 0.103 0.000 2.443 70 V HA 0.476 4.849 4.120 0.421 0.000 0.293 70 V C -0.951 175.189 176.094 0.077 0.000 1.021 70 V CA -0.868 61.496 62.300 0.107 0.000 0.848 70 V CB 1.129 33.013 31.823 0.103 0.000 0.998 70 V HN 0.780 nan 8.190 nan 0.000 0.424 71 Q N 3.092 122.938 119.800 0.077 0.000 2.348 71 Q HA 0.762 5.355 4.340 0.421 0.000 0.265 71 Q C 0.014 176.040 176.000 0.044 0.000 0.998 71 Q CA -0.106 55.728 55.803 0.053 0.000 0.831 71 Q CB 2.082 30.847 28.738 0.045 0.000 1.251 71 Q HN 1.002 nan 8.270 nan 0.000 0.456 72 A N 2.846 125.687 122.820 0.036 0.000 2.388 72 A HA 0.460 5.033 4.320 0.421 0.000 0.257 72 A C -0.041 177.558 177.584 0.024 0.000 1.095 72 A CA -0.224 51.833 52.037 0.034 0.000 0.791 72 A CB 0.251 19.271 19.000 0.034 0.000 1.029 72 A HN 0.927 nan 8.150 nan 0.000 0.489 73 L N 1.441 122.679 121.223 0.024 0.000 2.966 73 L HA 0.210 4.803 4.340 0.421 0.000 0.262 73 L C 0.874 177.751 176.870 0.011 0.000 1.165 73 L CA 0.597 55.442 54.840 0.007 0.000 0.978 73 L CB 0.168 42.220 42.059 -0.012 0.000 1.337 73 L HN 0.941 nan 8.230 nan 0.000 0.563 74 T N -5.221 109.350 114.554 0.028 0.000 2.618 74 T HA 0.623 5.225 4.350 0.421 0.000 0.293 74 T C 0.551 175.272 174.700 0.034 0.000 1.093 74 T CA 0.062 62.178 62.100 0.026 0.000 1.061 74 T CB 1.783 70.673 68.868 0.036 0.000 1.498 74 T HN -0.214 nan 8.240 nan 0.000 0.494 75 A N 0.085 122.923 122.820 0.029 0.000 2.014 75 A HA 0.212 4.784 4.320 0.421 0.000 0.210 75 A C 2.066 179.682 177.584 0.054 0.000 1.188 75 A CA 1.123 53.179 52.037 0.031 0.000 0.731 75 A CB -1.164 17.845 19.000 0.016 0.000 0.858 75 A HN 0.768 nan 8.150 nan 0.000 0.464 76 N N 0.830 119.567 118.700 0.062 0.000 2.061 76 N HA -0.120 4.873 4.740 0.421 0.000 0.193 76 N C 1.726 177.374 175.510 0.230 0.000 1.030 76 N CA 2.280 55.396 53.050 0.110 0.000 0.856 76 N CB -0.563 37.955 38.487 0.051 0.000 1.023 76 N HN 0.308 nan 8.380 nan 0.000 0.424 77 G N 0.664 109.575 108.800 0.184 0.000 2.404 77 G HA2 -0.113 4.100 3.960 0.421 0.000 0.214 77 G HA3 -0.113 4.100 3.960 0.421 0.000 0.214 77 G C -0.683 174.265 174.900 0.080 0.000 1.189 77 G CA 0.714 45.899 45.100 0.142 0.000 0.789 77 G HN 0.431 nan 8.290 nan 0.000 0.533 78 P HA -0.107 nan 4.420 nan 0.000 0.218 78 P C 1.974 179.302 177.300 0.046 0.000 1.148 78 P CA 1.899 65.025 63.100 0.044 0.000 0.822 78 P CB -0.187 31.535 31.700 0.036 0.000 0.784 79 A N -0.182 122.675 122.820 0.062 0.000 2.084 79 A HA -0.141 4.431 4.320 0.421 0.000 0.221 79 A C 2.356 179.974 177.584 0.057 0.000 1.161 79 A CA 1.279 53.353 52.037 0.061 0.000 0.653 79 A CB -1.532 17.515 19.000 0.079 0.000 0.802 79 A HN 0.196 nan 8.150 nan 0.000 0.457 80 L N -1.002 120.252 121.223 0.052 0.000 2.270 80 L HA -0.009 4.584 4.340 0.421 0.000 0.210 80 L C 2.325 179.204 176.870 0.015 0.000 1.104 80 L CA 0.237 55.089 54.840 0.020 0.000 0.804 80 L CB -0.304 41.733 42.059 -0.037 0.000 0.937 80 L HN 0.371 nan 8.230 nan 0.000 0.450 81 L N 0.121 121.357 121.223 0.022 0.000 2.013 81 L HA -0.194 4.399 4.340 0.421 0.000 0.212 81 L C -0.213 176.669 176.870 0.021 0.000 1.073 81 L CA 1.731 56.584 54.840 0.022 0.000 0.753 81 L CB -1.832 40.242 42.059 0.024 0.000 0.890 81 L HN 0.232 nan 8.230 nan 0.000 0.432 82 P HA -0.155 nan 4.420 nan 0.000 0.216 82 P C 1.868 179.180 177.300 0.020 0.000 1.153 82 P CA 1.316 64.427 63.100 0.019 0.000 0.848 82 P CB 0.011 31.723 31.700 0.020 0.000 0.787 83 L N -1.417 119.820 121.223 0.023 0.000 2.083 83 L HA -0.132 4.461 4.340 0.421 0.000 0.209 83 L C 2.518 179.402 176.870 0.023 0.000 1.083 83 L CA 1.126 55.980 54.840 0.024 0.000 0.752 83 L CB -1.392 40.683 42.059 0.026 0.000 0.899 83 L HN 0.002 nan 8.230 nan 0.000 0.433 84 L N 0.475 121.712 121.223 0.022 0.000 2.046 84 L HA -0.225 4.368 4.340 0.421 0.000 0.208 84 L C 2.259 179.144 176.870 0.026 0.000 1.077 84 L CA 1.959 56.816 54.840 0.029 0.000 0.747 84 L CB -0.637 41.441 42.059 0.032 0.000 0.896 84 L HN 0.392 nan 8.230 nan 0.000 0.432 85 D N -0.165 120.246 120.400 0.017 0.000 2.133 85 D HA -0.217 4.676 4.640 0.421 0.000 0.195 85 D C 1.980 178.287 176.300 0.010 0.000 0.997 85 D CA 1.299 55.304 54.000 0.008 0.000 0.840 85 D CB 0.091 40.895 40.800 0.007 0.000 0.947 85 D HN 0.434 nan 8.370 nan 0.000 0.452 86 E N 0.733 120.943 120.200 0.016 0.000 2.046 86 E HA -0.039 4.564 4.350 0.421 0.000 0.190 86 E C 2.142 178.756 176.600 0.024 0.000 0.982 86 E CA 0.660 57.071 56.400 0.018 0.000 0.800 86 E CB -0.359 29.353 29.700 0.019 0.000 0.756 86 E HN 0.214 nan 8.360 nan 0.000 0.449 87 A N 1.420 124.258 122.820 0.030 0.000 1.968 87 A HA 0.001 4.574 4.320 0.421 0.000 0.217 87 A C 1.497 179.111 177.584 0.050 0.000 1.169 87 A CA 0.181 52.242 52.037 0.040 0.000 0.638 87 A CB -0.516 18.509 19.000 0.042 0.000 0.812 87 A HN 0.132 nan 8.150 nan 0.000 0.446 88 L N 1.583 122.834 121.223 0.048 0.000 2.506 88 L HA 0.097 4.690 4.340 0.421 0.000 0.281 88 L C -1.711 175.187 176.870 0.046 0.000 1.228 88 L CA -1.357 53.517 54.840 0.056 0.000 0.850 88 L CB 0.063 42.135 42.059 0.021 0.000 1.110 88 L HN 0.248 nan 8.230 nan 0.000 0.496 89 P HA 0.076 nan 4.420 nan 0.000 0.271 89 P C -2.179 175.138 177.300 0.027 0.000 1.218 89 P CA -1.363 61.773 63.100 0.060 0.000 0.780 89 P CB 0.272 32.030 31.700 0.098 0.000 0.901 90 P HA -0.194 nan 4.420 nan 0.000 0.216 90 P C 1.016 178.312 177.300 -0.006 0.000 1.150 90 P CA 1.639 64.742 63.100 0.006 0.000 0.843 90 P CB 0.061 31.769 31.700 0.013 0.000 0.787 91 E N -0.222 119.984 120.200 0.011 0.000 2.267 91 E HA -0.059 4.544 4.350 0.421 0.000 0.197 91 E C 0.625 177.200 176.600 -0.042 0.000 0.998 91 E CA 0.325 56.729 56.400 0.006 0.000 0.830 91 E CB -0.934 28.794 29.700 0.046 0.000 0.751 91 E HN 0.123 nan 8.360 nan 0.000 0.491 92 V N 2.577 122.435 119.914 -0.094 0.000 2.403 92 V HA 0.005 4.378 4.120 0.421 0.000 0.265 92 V C 0.670 176.633 176.094 -0.218 0.000 1.034 92 V CA -0.027 62.115 62.300 -0.264 0.000 1.036 92 V CB 0.118 31.700 31.823 -0.402 0.000 1.032 92 V HN 0.132 nan 8.190 nan 0.000 0.478 93 R N 4.275 124.656 120.500 -0.199 0.000 2.480 93 R HA 0.034 4.626 4.340 0.421 0.000 0.303 93 R C 0.147 176.359 176.300 -0.146 0.000 0.985 93 R CA 0.150 56.168 56.100 -0.137 0.000 1.051 93 R CB 0.098 30.331 30.300 -0.111 0.000 0.935 93 R HN 0.645 nan 8.270 nan 0.000 0.410 94 N N 2.827 121.469 118.700 -0.097 0.000 2.399 94 N HA 0.199 5.192 4.740 0.421 0.000 0.295 94 N C -1.407 174.075 175.510 -0.048 0.000 1.048 94 N CA -0.493 52.512 53.050 -0.075 0.000 0.886 94 N CB 1.850 40.302 38.487 -0.059 0.000 1.185 94 N HN 0.460 nan 8.380 nan 0.000 0.487 95 Q N 0.837 120.615 119.800 -0.036 0.000 2.285 95 Q HA 0.646 5.239 4.340 0.421 0.000 0.269 95 Q C -1.160 174.834 176.000 -0.010 0.000 1.030 95 Q CA -0.757 55.033 55.803 -0.022 0.000 0.788 95 Q CB 2.200 30.925 28.738 -0.021 0.000 1.266 95 Q HN 0.596 nan 8.270 nan 0.000 0.438 96 A N 2.904 125.721 122.820 -0.006 0.000 2.305 96 A HA 0.855 5.428 4.320 0.421 0.000 0.322 96 A C -0.480 177.106 177.584 0.003 0.000 1.187 96 A CA -0.517 51.521 52.037 0.001 0.000 0.825 96 A CB 0.543 19.544 19.000 0.001 0.000 1.164 96 A HN 0.806 nan 8.150 nan 0.000 0.498 97 R N 1.269 121.774 120.500 0.008 0.000 2.947 97 R HA 0.611 5.204 4.340 0.421 0.000 0.253 97 R C -3.003 173.304 176.300 0.011 0.000 1.208 97 R CA -2.107 53.999 56.100 0.009 0.000 1.012 97 R CB -0.360 29.947 30.300 0.011 0.000 1.267 97 R HN 0.292 nan 8.270 nan 0.000 0.473 98 P HA 0.096 nan 4.420 nan 0.000 0.257 98 P C -1.126 176.182 177.300 0.013 0.000 1.227 98 P CA 0.519 63.625 63.100 0.010 0.000 0.981 98 P CB -0.333 31.372 31.700 0.008 0.000 1.044 99 N N 1.406 120.115 118.700 0.014 0.000 2.758 99 N HA -0.135 4.857 4.740 0.421 0.000 0.248 99 N C 0.315 175.839 175.510 0.022 0.000 1.076 99 N CA 1.499 54.560 53.050 0.017 0.000 0.696 99 N CB -1.174 37.323 38.487 0.016 0.000 0.979 99 N HN 0.639 nan 8.380 nan 0.000 0.550 100 G N -1.546 107.268 108.800 0.023 0.000 2.548 100 G HA2 0.755 4.968 3.960 0.421 0.000 0.301 100 G HA3 0.755 4.968 3.960 0.421 0.000 0.301 100 G C -1.491 173.425 174.900 0.026 0.000 1.349 100 G CA -0.861 44.257 45.100 0.029 0.000 0.792 100 G HN 0.096 nan 8.290 nan 0.000 0.481 101 R N -0.642 119.878 120.500 0.033 0.000 2.799 101 R HA 0.710 5.303 4.340 0.421 0.000 0.270 101 R C -1.655 174.663 176.300 0.030 0.000 1.010 101 R CA -0.858 55.258 56.100 0.025 0.000 0.916 101 R CB 2.192 32.507 30.300 0.026 0.000 1.228 101 R HN 0.568 nan 8.270 nan 0.000 0.469 102 E N 1.389 121.598 120.200 0.014 0.000 2.260 102 E HA 0.410 5.013 4.350 0.421 0.000 0.266 102 E C -1.316 175.276 176.600 -0.013 0.000 0.887 102 E CA -0.364 56.044 56.400 0.013 0.000 0.777 102 E CB 1.071 30.774 29.700 0.005 0.000 1.205 102 E HN 0.424 nan 8.360 nan 0.000 0.414 103 L N 2.754 123.974 121.223 -0.005 0.000 2.334 103 L HA 0.701 5.294 4.340 0.421 0.000 0.272 103 L C -0.265 176.544 176.870 -0.102 0.000 1.020 103 L CA -0.911 53.865 54.840 -0.106 0.000 0.812 103 L CB 2.128 44.109 42.059 -0.129 0.000 1.264 103 L HN 0.480 nan 8.230 nan 0.000 0.439 104 T N 1.612 116.024 114.554 -0.236 0.000 2.985 104 T HA 0.467 5.070 4.350 0.421 0.000 0.315 104 T C -0.587 173.994 174.700 -0.197 0.000 1.001 104 T CA -0.382 61.647 62.100 -0.118 0.000 1.016 104 T CB 0.380 69.192 68.868 -0.093 0.000 0.993 104 T HN 0.091 nan 8.240 nan 0.000 0.454 105 F N 4.741 124.720 119.950 0.048 0.000 2.375 105 F HA 0.476 5.256 4.527 0.423 0.000 0.333 105 F C -1.447 174.404 175.800 0.086 0.000 1.104 105 F CA -2.078 55.970 58.000 0.080 0.000 1.149 105 F CB 0.682 39.751 39.000 0.115 0.000 1.190 105 F HN 0.284 nan 8.300 nan 0.000 0.533 106 P HA 0.264 nan 4.420 nan 0.000 0.276 106 P C -1.366 176.081 177.300 0.244 0.000 1.252 106 P CA -0.569 62.628 63.100 0.162 0.000 0.802 106 P CB 0.970 32.733 31.700 0.106 0.000 1.035 107 A N 2.880 125.819 122.820 0.197 0.000 2.395 107 A HA 0.272 4.845 4.320 0.421 0.000 0.286 107 A C 0.894 178.530 177.584 0.087 0.000 1.193 107 A CA -0.565 51.584 52.037 0.187 0.000 0.852 107 A CB -0.972 18.138 19.000 0.183 0.000 1.118 107 A HN 0.481 nan 8.150 nan 0.000 0.524 108 I N 1.997 122.595 120.570 0.046 0.000 2.989 108 I HA -0.159 4.263 4.170 0.421 0.000 0.311 108 I C 0.680 176.811 176.117 0.024 0.000 1.221 108 I CA 0.643 61.962 61.300 0.032 0.000 1.449 108 I CB 0.166 38.162 38.000 -0.006 0.000 1.325 108 I HN 0.777 nan 8.210 nan 0.000 0.557 109 D N 5.038 125.457 120.400 0.031 0.000 2.371 109 D HA 0.261 5.154 4.640 0.421 0.000 0.256 109 D C 0.835 177.143 176.300 0.014 0.000 1.193 109 D CA -0.007 54.006 54.000 0.021 0.000 0.881 109 D CB 1.344 42.157 40.800 0.022 0.000 1.143 109 D HN 0.587 nan 8.370 nan 0.000 0.473 110 A N 3.391 126.215 122.820 0.007 0.000 1.970 110 A HA 0.015 4.588 4.320 0.421 0.000 0.216 110 A C 1.196 178.782 177.584 0.002 0.000 1.170 110 A CA 0.276 52.315 52.037 0.002 0.000 0.645 110 A CB 0.026 19.024 19.000 -0.002 0.000 0.816 110 A HN 0.491 nan 8.150 nan 0.000 0.447 111 V N 2.002 121.918 119.914 0.003 0.000 2.054 111 V HA 0.136 4.509 4.120 0.421 0.000 0.243 111 V C -0.040 176.055 176.094 0.002 0.000 1.480 111 V CA 0.349 62.650 62.300 0.001 0.000 1.440 111 V CB -1.280 30.543 31.823 0.002 0.000 1.489 111 V HN 0.555 nan 8.190 nan 0.000 0.502 112 Q N 1.211 121.011 119.800 0.000 0.000 2.553 112 Q HA 0.412 5.005 4.340 0.421 0.000 0.293 112 Q C -1.073 174.923 176.000 -0.007 0.000 1.038 112 Q CA -1.040 54.761 55.803 -0.002 0.000 0.777 112 Q CB 2.483 31.222 28.738 0.001 0.000 1.487 112 Q HN 0.677 nan 8.270 nan 0.000 0.426 113 D N -0.318 120.075 120.400 -0.011 0.000 2.313 113 D HA 0.024 4.916 4.640 0.421 0.000 0.247 113 D C 0.584 176.871 176.300 -0.022 0.000 1.094 113 D CA -0.263 53.727 54.000 -0.017 0.000 0.925 113 D CB 0.855 41.643 40.800 -0.019 0.000 1.188 113 D HN 0.321 nan 8.370 nan 0.000 0.430 114 E N 1.040 121.224 120.200 -0.027 0.000 2.114 114 E HA -0.202 4.400 4.350 0.421 0.000 0.199 114 E C 1.163 177.734 176.600 -0.050 0.000 1.008 114 E CA 1.318 57.697 56.400 -0.035 0.000 0.810 114 E CB -0.160 29.516 29.700 -0.040 0.000 0.739 114 E HN 0.601 nan 8.360 nan 0.000 0.456 115 D N 0.074 120.442 120.400 -0.054 0.000 2.219 115 D HA -0.085 4.808 4.640 0.421 0.000 0.205 115 D C 1.758 178.014 176.300 -0.073 0.000 0.970 115 D CA 1.132 55.088 54.000 -0.073 0.000 0.851 115 D CB -0.042 40.717 40.800 -0.067 0.000 0.943 115 D HN 0.162 nan 8.370 nan 0.000 0.488 116 A N 1.045 123.837 122.820 -0.047 0.000 1.872 116 A HA -0.132 4.441 4.320 0.421 0.000 0.214 116 A C 2.206 179.774 177.584 -0.026 0.000 1.187 116 A CA 1.183 53.199 52.037 -0.034 0.000 0.614 116 A CB -0.399 18.591 19.000 -0.017 0.000 0.826 116 A HN 0.076 nan 8.150 nan 0.000 0.442 117 R N -0.634 119.855 120.500 -0.017 0.000 2.080 117 R HA -0.176 4.416 4.340 0.421 0.000 0.236 117 R C 2.061 178.365 176.300 0.007 0.000 1.137 117 R CA 1.886 57.990 56.100 0.006 0.000 0.943 117 R CB -0.543 29.763 30.300 0.010 0.000 0.846 117 R HN 0.433 nan 8.270 nan 0.000 0.431 118 L N 1.103 122.300 121.223 -0.044 0.000 2.081 118 L HA -0.184 4.409 4.340 0.421 0.000 0.212 118 L C 1.915 178.713 176.870 -0.119 0.000 1.080 118 L CA 1.866 56.650 54.840 -0.093 0.000 0.754 118 L CB -0.206 41.753 42.059 -0.167 0.000 0.893 118 L HN 0.124 nan 8.230 nan 0.000 0.433 119 R N -0.653 119.771 120.500 -0.126 0.000 2.200 119 R HA 0.124 4.717 4.340 0.421 0.000 0.208 119 R C 0.916 177.232 176.300 0.028 0.000 1.033 119 R CA 0.378 56.404 56.100 -0.122 0.000 1.000 119 R CB -0.248 29.970 30.300 -0.136 0.000 0.906 119 R HN 0.327 nan 8.270 nan 0.000 0.462 120 S N 1.461 117.193 115.700 0.054 0.000 2.560 120 S HA -0.034 4.689 4.470 0.421 0.000 0.276 120 S C 0.117 174.806 174.600 0.149 0.000 1.350 120 S CA -0.586 57.670 58.200 0.094 0.000 1.024 120 S CB 0.390 63.640 63.200 0.084 0.000 0.864 120 S HN 0.097 nan 8.310 nan 0.000 0.536 121 L N 2.612 123.929 121.223 0.156 0.000 2.543 121 L HA 0.250 4.843 4.340 0.421 0.000 0.285 121 L C 0.317 177.305 176.870 0.195 0.000 1.236 121 L CA 1.016 55.977 54.840 0.201 0.000 0.871 121 L CB -0.243 41.954 42.059 0.229 0.000 1.121 121 L HN 0.885 nan 8.230 nan 0.000 0.501 122 S N 2.197 117.981 115.700 0.140 0.000 2.588 122 S HA 0.353 5.075 4.470 0.421 0.000 0.269 122 S C 0.662 174.991 174.600 -0.451 0.000 1.157 122 S CA -0.363 57.865 58.200 0.046 0.000 0.824 122 S CB 0.750 64.226 63.200 0.459 0.000 1.126 122 S HN 1.244 nan 8.310 nan 0.000 0.464 123 V N -0.692 118.859 119.914 -0.604 0.000 2.944 123 V HA -0.022 4.350 4.120 0.421 0.000 0.265 123 V C 1.639 177.507 176.094 -0.376 0.000 1.125 123 V CA 1.582 63.314 62.300 -0.947 0.000 1.145 123 V CB -1.687 29.871 31.823 -0.441 0.000 0.725 123 V HN 0.746 nan 8.190 nan 0.000 0.510 124 F N 1.323 121.265 119.950 -0.013 0.000 2.234 124 F HA -0.045 4.735 4.527 0.422 0.000 0.299 124 F C 2.405 178.196 175.800 -0.016 0.000 1.087 124 F CA 1.949 59.988 58.000 0.065 0.000 1.340 124 F CB -0.381 38.610 39.000 -0.014 0.000 1.031 124 F HN 0.209 nan 8.300 nan 0.000 0.500 125 D N 0.240 120.697 120.400 0.095 0.000 2.263 125 D HA -0.161 4.732 4.640 0.421 0.000 0.208 125 D C 2.291 178.718 176.300 0.211 0.000 0.971 125 D CA 1.125 55.213 54.000 0.147 0.000 0.867 125 D CB -0.249 40.676 40.800 0.208 0.000 0.929 125 D HN 0.308 nan 8.370 nan 0.000 0.492 126 A N 0.901 123.868 122.820 0.245 0.000 1.940 126 A HA -0.147 4.425 4.320 0.421 0.000 0.219 126 A C 2.337 180.057 177.584 0.226 0.000 1.176 126 A CA 0.951 53.214 52.037 0.376 0.000 0.631 126 A CB -0.564 18.735 19.000 0.498 0.000 0.814 126 A HN 0.194 nan 8.150 nan 0.000 0.446 127 L N -1.663 119.659 121.223 0.165 0.000 2.127 127 L HA -0.018 4.575 4.340 0.421 0.000 0.203 127 L C 2.686 179.619 176.870 0.106 0.000 1.080 127 L CA 1.269 56.167 54.840 0.096 0.000 0.768 127 L CB -0.444 41.631 42.059 0.027 0.000 0.924 127 L HN 0.410 nan 8.230 nan 0.000 0.444 128 R N -0.034 120.522 120.500 0.094 0.000 2.081 128 R HA -0.156 4.437 4.340 0.421 0.000 0.235 128 R C 2.182 178.522 176.300 0.068 0.000 1.131 128 R CA 2.089 58.223 56.100 0.057 0.000 0.960 128 R CB -0.243 30.066 30.300 0.014 0.000 0.856 128 R HN 0.234 nan 8.270 nan 0.000 0.436 129 T N 1.220 115.830 114.554 0.094 0.000 2.701 129 T HA -0.055 4.548 4.350 0.421 0.000 0.263 129 T C 1.846 176.577 174.700 0.052 0.000 1.040 129 T CA 1.351 63.501 62.100 0.082 0.000 1.147 129 T CB -0.169 68.766 68.868 0.111 0.000 0.865 129 T HN 0.183 nan 8.240 nan 0.000 0.426 130 I N 1.052 121.652 120.570 0.049 0.000 2.229 130 I HA -0.234 4.189 4.170 0.421 0.000 0.250 130 I C 2.246 178.337 176.117 -0.044 0.000 1.096 130 I CA 1.358 62.654 61.300 -0.007 0.000 1.358 130 I CB -0.390 37.596 38.000 -0.022 0.000 1.047 130 I HN 0.258 nan 8.210 nan 0.000 0.422 131 L N 0.101 121.313 121.223 -0.017 0.000 2.131 131 L HA -0.173 4.420 4.340 0.421 0.000 0.210 131 L C 1.670 178.539 176.870 -0.001 0.000 1.092 131 L CA 1.844 56.672 54.840 -0.020 0.000 0.759 131 L CB -0.556 41.519 42.059 0.026 0.000 0.903 131 L HN 0.435 nan 8.230 nan 0.000 0.435 132 T N -4.385 110.179 114.554 0.016 0.000 3.355 132 T HA 0.297 4.900 4.350 0.421 0.000 0.276 132 T C 1.135 175.850 174.700 0.025 0.000 1.003 132 T CA -0.327 61.788 62.100 0.025 0.000 0.943 132 T CB 0.045 68.934 68.868 0.036 0.000 1.158 132 T HN 0.054 nan 8.240 nan 0.000 0.513 133 L N 0.268 121.498 121.223 0.013 0.000 2.156 133 L HA 0.244 4.837 4.340 0.421 0.000 0.208 133 L C 0.539 177.427 176.870 0.030 0.000 1.095 133 L CA 0.554 55.405 54.840 0.018 0.000 0.770 133 L CB 0.113 42.172 42.059 0.000 0.000 0.914 133 L HN 0.266 nan 8.230 nan 0.000 0.439 134 V N -0.287 119.649 119.914 0.036 0.000 2.540 134 V HA 0.203 4.575 4.120 0.421 0.000 0.302 134 V C -0.897 175.234 176.094 0.063 0.000 1.035 134 V CA -0.998 61.339 62.300 0.062 0.000 0.873 134 V CB 2.012 33.899 31.823 0.107 0.000 0.992 134 V HN -0.001 nan 8.190 nan 0.000 0.428 135 D N 2.972 123.405 120.400 0.055 0.000 2.363 135 D HA 0.172 5.065 4.640 0.421 0.000 0.263 135 D C 0.077 176.410 176.300 0.055 0.000 1.258 135 D CA 0.684 54.713 54.000 0.048 0.000 0.907 135 D CB 1.232 42.054 40.800 0.038 0.000 1.107 135 D HN 0.434 nan 8.370 nan 0.000 0.495 136 S N 2.045 117.779 115.700 0.056 0.000 2.537 136 S HA 0.473 5.196 4.470 0.421 0.000 0.301 136 S C -2.444 172.180 174.600 0.041 0.000 1.092 136 S CA -1.558 56.677 58.200 0.058 0.000 1.048 136 S CB 1.177 64.422 63.200 0.075 0.000 1.053 136 S HN 0.199 nan 8.310 nan 0.000 0.501 137 P HA 0.106 nan 4.420 nan 0.000 0.258 137 P C -0.750 176.565 177.300 0.025 0.000 1.214 137 P CA -0.028 63.086 63.100 0.024 0.000 0.872 137 P CB -0.201 31.509 31.700 0.016 0.000 0.890 138 A N 4.002 126.837 122.820 0.026 0.000 3.051 138 A HA 0.070 4.643 4.320 0.421 0.000 0.275 138 A C 0.999 178.595 177.584 0.021 0.000 1.900 138 A CA 0.461 52.514 52.037 0.027 0.000 1.496 138 A CB -0.965 18.051 19.000 0.027 0.000 1.013 138 A HN 0.702 nan 8.150 nan 0.000 0.611 139 D N 0.074 120.485 120.400 0.019 0.000 4.105 139 D HA -0.076 4.817 4.640 0.421 0.000 0.275 139 D C -0.904 175.404 176.300 0.013 0.000 0.570 139 D CA -0.123 53.886 54.000 0.014 0.000 0.729 139 D CB -0.453 40.354 40.800 0.012 0.000 1.675 139 D HN 0.342 nan 8.370 nan 0.000 0.154 140 E N 1.824 122.033 120.200 0.016 0.000 2.795 140 E HA 0.214 4.817 4.350 0.421 0.000 0.226 140 E C 1.026 177.637 176.600 0.019 0.000 1.088 140 E CA -0.408 56.000 56.400 0.013 0.000 0.812 140 E CB 1.585 31.291 29.700 0.010 0.000 1.328 140 E HN 0.227 nan 8.360 nan 0.000 0.410 141 R N 1.785 122.297 120.500 0.021 0.000 2.227 141 R HA -0.257 4.336 4.340 0.421 0.000 0.246 141 R C 0.340 176.660 176.300 0.034 0.000 1.119 141 R CA 2.496 58.616 56.100 0.034 0.000 0.930 141 R CB 0.211 30.532 30.300 0.035 0.000 0.912 141 R HN 0.149 nan 8.270 nan 0.000 0.435 142 E N -0.741 119.462 120.200 0.006 0.000 2.336 142 E HA 0.232 4.835 4.350 0.421 0.000 0.214 142 E C 0.467 177.070 176.600 0.005 0.000 1.144 142 E CA 0.442 56.833 56.400 -0.015 0.000 1.294 142 E CB 0.982 30.636 29.700 -0.076 0.000 1.263 142 E HN 0.453 nan 8.360 nan 0.000 0.439 143 A N 0.549 123.387 122.820 0.030 0.000 1.970 143 A HA 0.063 4.636 4.320 0.421 0.000 0.216 143 A C 0.900 178.558 177.584 0.123 0.000 1.170 143 A CA 0.674 52.742 52.037 0.053 0.000 0.645 143 A CB 0.179 19.210 19.000 0.051 0.000 0.816 143 A HN 0.217 nan 8.150 nan 0.000 0.447 144 V N -1.566 118.406 119.914 0.096 0.000 2.439 144 V HA 0.607 4.980 4.120 0.421 0.000 0.277 144 V C -0.549 175.533 176.094 -0.020 0.000 1.008 144 V CA -0.467 61.887 62.300 0.089 0.000 0.846 144 V CB 0.602 32.455 31.823 0.049 0.000 1.031 144 V HN 0.479 nan 8.190 nan 0.000 0.441 145 M N 5.444 125.019 119.600 -0.042 0.000 2.465 145 M HA 0.729 5.462 4.480 0.421 0.000 0.316 145 M C -2.181 173.988 176.300 -0.217 0.000 1.121 145 M CA -0.709 54.517 55.300 -0.123 0.000 0.934 145 M CB 2.527 35.082 32.600 -0.076 0.000 1.692 145 M HN 0.601 nan 8.290 nan 0.000 0.444 146 L N 4.264 125.194 121.223 -0.489 0.000 2.298 146 L HA 0.669 5.262 4.340 0.421 0.000 0.284 146 L C 0.120 176.744 176.870 -0.410 0.000 1.013 146 L CA -0.618 53.852 54.840 -0.617 0.000 0.824 146 L CB 1.622 42.890 42.059 -1.317 0.000 1.221 146 L HN 0.943 nan 8.230 nan 0.000 0.418 147 G N 1.361 110.148 108.800 -0.021 0.000 2.420 147 G HA2 0.776 4.988 3.960 0.421 0.000 0.331 147 G HA3 0.776 4.988 3.960 0.421 0.000 0.331 147 G C -0.210 174.788 174.900 0.163 0.000 1.168 147 G CA 0.093 45.278 45.100 0.141 0.000 0.936 147 G HN 0.834 nan 8.290 nan 0.000 0.479 148 G N -0.426 108.414 108.800 0.066 0.000 2.491 148 G HA2 0.454 4.667 3.960 0.421 0.000 0.183 148 G HA3 0.454 4.667 3.960 0.421 0.000 0.183 148 G C -1.909 172.622 174.900 -0.615 0.000 1.221 148 G CA -0.194 44.623 45.100 -0.471 0.000 0.996 148 G HN 1.414 nan 8.290 nan 0.000 0.474 149 L N 0.502 121.120 121.223 -1.009 0.000 2.356 149 L HA 0.851 5.444 4.340 0.421 0.000 0.277 149 L C -1.436 175.046 176.870 -0.646 0.000 0.996 149 L CA -0.964 53.493 54.840 -0.638 0.000 0.822 149 L CB 1.229 43.112 42.059 -0.294 0.000 1.256 149 L HN 0.399 nan 8.230 nan 0.000 0.413 150 F N 4.967 124.774 119.950 -0.239 0.000 2.350 150 F HA 0.662 5.442 4.527 0.422 0.000 0.365 150 F C 0.972 176.771 175.800 -0.002 0.000 1.122 150 F CA -0.472 57.481 58.000 -0.079 0.000 1.139 150 F CB 1.242 40.110 39.000 -0.220 0.000 1.220 150 F HN 0.713 nan 8.300 nan 0.000 0.499 151 A N 3.310 126.244 122.820 0.190 0.000 2.366 151 A HA 0.078 4.651 4.320 0.421 0.000 0.249 151 A C 0.818 178.510 177.584 0.179 0.000 1.084 151 A CA -0.312 51.795 52.037 0.118 0.000 0.794 151 A CB 0.154 19.174 19.000 0.033 0.000 1.034 151 A HN 0.897 nan 8.150 nan 0.000 0.491 152 Y N 0.429 120.753 120.300 0.039 0.000 2.128 152 Y HA -0.257 4.545 4.550 0.419 0.000 0.284 152 Y C 1.625 177.558 175.900 0.056 0.000 1.154 152 Y CA 2.620 60.744 58.100 0.039 0.000 1.149 152 Y CB 0.104 38.564 38.460 0.001 0.000 0.976 152 Y HN 0.744 nan 8.280 nan 0.000 0.505 153 D N 0.316 120.878 120.400 0.271 0.000 2.309 153 D HA -0.164 4.729 4.640 0.421 0.000 0.212 153 D C 2.088 178.449 176.300 0.101 0.000 0.968 153 D CA 0.871 54.981 54.000 0.185 0.000 0.882 153 D CB -0.333 40.545 40.800 0.130 0.000 0.918 153 D HN 0.387 nan 8.370 nan 0.000 0.503 154 L N 0.877 122.168 121.223 0.113 0.000 2.129 154 L HA -0.151 4.442 4.340 0.421 0.000 0.212 154 L C 2.189 179.211 176.870 0.253 0.000 1.087 154 L CA 1.182 56.126 54.840 0.172 0.000 0.757 154 L CB -0.601 41.604 42.059 0.243 0.000 0.896 154 L HN -0.103 nan 8.230 nan 0.000 0.434 155 V N -0.194 119.788 119.914 0.113 0.000 2.594 155 V HA -0.241 4.131 4.120 0.421 0.000 0.253 155 V C 2.569 178.769 176.094 0.176 0.000 1.069 155 V CA 1.496 63.865 62.300 0.115 0.000 1.082 155 V CB -0.590 31.142 31.823 -0.151 0.000 0.680 155 V HN 0.623 nan 8.190 nan 0.000 0.469 156 A N -0.243 122.634 122.820 0.094 0.000 2.178 156 A HA -0.005 4.568 4.320 0.421 0.000 0.218 156 A C 2.081 179.629 177.584 -0.060 0.000 1.157 156 A CA 1.465 53.521 52.037 0.031 0.000 0.689 156 A CB -0.783 18.232 19.000 0.026 0.000 0.787 156 A HN 0.669 nan 8.150 nan 0.000 0.465 157 G N -2.851 105.880 108.800 -0.115 0.000 3.042 157 G HA2 0.318 4.531 3.960 0.421 0.000 0.212 157 G HA3 0.318 4.531 3.960 0.421 0.000 0.212 157 G C 0.589 174.942 174.900 -0.912 0.000 1.166 157 G CA 0.367 45.127 45.100 -0.567 0.000 0.767 157 G HN 0.446 nan 8.290 nan 0.000 0.546 158 F N -0.571 119.348 119.950 -0.050 0.000 2.871 158 F HA 0.437 5.218 4.527 0.423 0.000 0.344 158 F C 0.196 175.967 175.800 -0.048 0.000 1.078 158 F CA -0.356 57.619 58.000 -0.041 0.000 1.149 158 F CB 0.950 39.938 39.000 -0.019 0.000 1.087 158 F HN -0.159 nan 8.300 nan 0.000 0.557 159 E N 0.154 120.407 120.200 0.088 0.000 2.383 159 E HA 0.287 4.890 4.350 0.421 0.000 0.275 159 E C -1.303 175.301 176.600 0.006 0.000 0.918 159 E CA -0.813 55.609 56.400 0.037 0.000 0.764 159 E CB 1.379 31.097 29.700 0.030 0.000 1.252 159 E HN -0.176 nan 8.360 nan 0.000 0.449 160 N N 1.444 120.142 118.700 -0.003 0.000 2.402 160 N HA 0.153 5.146 4.740 0.421 0.000 0.259 160 N C -0.761 174.750 175.510 0.002 0.000 1.167 160 N CA 0.004 53.049 53.050 -0.008 0.000 0.949 160 N CB 0.176 38.658 38.487 -0.009 0.000 1.212 160 N HN 0.151 nan 8.380 nan 0.000 0.493 161 L N 3.176 124.403 121.223 0.007 0.000 2.331 161 L HA 0.613 5.206 4.340 0.421 0.000 0.275 161 L C -1.592 175.286 176.870 0.013 0.000 1.022 161 L CA -1.865 52.987 54.840 0.021 0.000 0.812 161 L CB 0.836 42.921 42.059 0.043 0.000 1.257 161 L HN 0.323 nan 8.230 nan 0.000 0.435 162 P HA 0.190 nan 4.420 nan 0.000 0.270 162 P C -0.671 176.634 177.300 0.008 0.000 1.223 162 P CA -0.400 62.704 63.100 0.007 0.000 0.785 162 P CB 0.499 32.201 31.700 0.004 0.000 0.923 163 A N 2.150 124.972 122.820 0.003 0.000 2.488 163 A HA 0.374 4.947 4.320 0.421 0.000 0.249 163 A C -0.276 177.308 177.584 0.001 0.000 1.083 163 A CA 0.218 52.256 52.037 0.003 0.000 0.768 163 A CB -0.682 18.319 19.000 0.000 0.000 1.017 163 A HN 0.481 nan 8.150 nan 0.000 0.496 164 L N 2.309 123.533 121.223 0.002 0.000 2.354 164 L HA 0.527 5.120 4.340 0.421 0.000 0.264 164 L C 0.496 177.362 176.870 -0.007 0.000 1.008 164 L CA -0.825 54.013 54.840 -0.003 0.000 0.819 164 L CB 1.904 43.963 42.059 0.001 0.000 1.339 164 L HN 0.776 nan 8.230 nan 0.000 0.420 165 R N 0.862 121.354 120.500 -0.013 0.000 2.615 165 R HA 0.256 4.849 4.340 0.421 0.000 0.270 165 R C -0.523 175.767 176.300 -0.017 0.000 1.081 165 R CA -0.378 55.714 56.100 -0.013 0.000 1.154 165 R CB 0.798 31.089 30.300 -0.015 0.000 1.063 165 R HN 0.513 nan 8.270 nan 0.000 0.519 166 Q N 1.439 121.231 119.800 -0.013 0.000 2.341 166 Q HA 0.122 4.715 4.340 0.421 0.000 0.268 166 Q C -0.973 175.021 176.000 -0.010 0.000 1.013 166 Q CA -0.411 55.382 55.803 -0.016 0.000 0.798 166 Q CB 1.236 29.969 28.738 -0.008 0.000 1.253 166 Q HN 0.550 nan 8.270 nan 0.000 0.457 167 D N 3.460 123.849 120.400 -0.017 0.000 2.469 167 D HA 0.098 4.991 4.640 0.421 0.000 0.215 167 D C -0.517 175.796 176.300 0.022 0.000 1.154 167 D CA 0.287 54.287 54.000 -0.001 0.000 0.832 167 D CB 0.923 41.716 40.800 -0.012 0.000 1.008 167 D HN 0.556 nan 8.370 nan 0.000 0.506 168 Q N -0.181 119.626 119.800 0.011 0.000 2.389 168 Q HA 0.436 5.029 4.340 0.421 0.000 0.277 168 Q C 0.467 176.505 176.000 0.064 0.000 1.082 168 Q CA -0.657 55.184 55.803 0.063 0.000 0.810 168 Q CB 2.571 31.289 28.738 -0.032 0.000 1.374 168 Q HN -0.186 nan 8.270 nan 0.000 0.422 169 R N -0.189 120.399 120.500 0.146 0.000 2.316 169 R HA 0.039 4.632 4.340 0.421 0.000 0.202 169 R C 0.582 176.955 176.300 0.121 0.000 1.029 169 R CA 0.085 56.268 56.100 0.137 0.000 1.018 169 R CB -0.075 30.335 30.300 0.185 0.000 0.888 169 R HN 0.487 nan 8.270 nan 0.000 0.471 170 C N 3.685 123.009 119.300 0.040 0.000 2.592 170 C HA 0.117 4.830 4.460 0.421 0.000 0.408 170 C C -1.335 173.593 174.990 -0.103 0.000 1.436 170 C CA -1.742 57.171 59.018 -0.174 0.000 1.595 170 C CB 0.018 27.414 27.740 -0.574 0.000 2.487 170 C HN 0.313 nan 8.230 nan 0.000 0.610 171 P HA 0.272 nan 4.420 nan 0.000 0.293 171 P C 0.190 177.459 177.300 -0.053 0.000 1.304 171 P CA 0.022 63.106 63.100 -0.027 0.000 0.767 171 P CB 0.768 32.478 31.700 0.017 0.000 1.247 172 D N -1.126 119.229 120.400 -0.076 0.000 2.144 172 D HA 0.022 4.915 4.640 0.421 0.000 0.200 172 D C 0.634 176.984 176.300 0.083 0.000 0.978 172 D CA 1.679 55.657 54.000 -0.036 0.000 0.833 172 D CB -0.264 40.472 40.800 -0.106 0.000 0.961 172 D HN 0.405 nan 8.370 nan 0.000 0.470 173 F N -1.595 118.338 119.950 -0.028 0.000 2.668 173 F HA 0.530 5.310 4.527 0.421 0.000 0.309 173 F C -1.430 174.269 175.800 -0.169 0.000 1.117 173 F CA -2.303 55.629 58.000 -0.114 0.000 0.951 173 F CB 1.141 40.165 39.000 0.039 0.000 1.323 173 F HN -0.212 nan 8.300 nan 0.000 0.451 174 C N 3.621 122.867 119.300 -0.091 0.000 2.982 174 C HA 0.763 5.476 4.460 0.421 0.000 0.372 174 C C -1.910 172.690 174.990 -0.651 0.000 1.061 174 C CA -0.624 58.326 59.018 -0.112 0.000 1.309 174 C CB -0.891 26.881 27.740 0.054 0.000 1.766 174 C HN 0.724 nan 8.230 nan 0.000 0.504 175 F N 4.067 123.977 119.950 -0.067 0.000 2.532 175 F HA 0.592 5.371 4.527 0.420 0.000 0.321 175 F C -0.203 175.597 175.800 0.000 0.000 1.089 175 F CA -0.646 57.212 58.000 -0.237 0.000 0.926 175 F CB 1.507 40.350 39.000 -0.261 0.000 1.168 175 F HN 0.466 nan 8.300 nan 0.000 0.459 176 Y N 3.507 123.902 120.300 0.159 0.000 2.328 176 Y HA 0.407 5.211 4.550 0.423 0.000 0.337 176 Y C -0.251 175.664 175.900 0.025 0.000 0.966 176 Y CA -1.146 56.999 58.100 0.074 0.000 1.136 176 Y CB 1.551 40.047 38.460 0.059 0.000 1.170 176 Y HN 0.317 nan 8.280 nan 0.000 0.470 177 L N 4.179 125.494 121.223 0.154 0.000 2.315 177 L HA 0.457 5.050 4.340 0.421 0.000 0.283 177 L C 0.165 177.104 176.870 0.116 0.000 1.089 177 L CA -0.454 54.401 54.840 0.025 0.000 0.833 177 L CB 0.458 42.462 42.059 -0.093 0.000 1.170 177 L HN 0.798 nan 8.230 nan 0.000 0.442 178 A N 4.058 126.950 122.820 0.120 0.000 2.440 178 A HA 0.109 4.682 4.320 0.421 0.000 0.251 178 A C 0.731 178.455 177.584 0.233 0.000 1.089 178 A CA -0.093 52.031 52.037 0.144 0.000 0.779 178 A CB 0.650 19.704 19.000 0.090 0.000 1.022 178 A HN 0.938 nan 8.150 nan 0.000 0.492 179 E N 1.154 121.444 120.200 0.149 0.000 2.228 179 E HA 0.060 4.663 4.350 0.421 0.000 0.197 179 E C -0.251 176.343 176.600 -0.010 0.000 0.909 179 E CA 0.611 57.059 56.400 0.081 0.000 0.911 179 E CB 0.651 30.390 29.700 0.065 0.000 0.887 179 E HN 0.584 nan 8.360 nan 0.000 0.481 180 T N 1.804 116.361 114.554 0.004 0.000 2.893 180 T HA 0.375 4.978 4.350 0.421 0.000 0.324 180 T C -1.170 173.528 174.700 -0.002 0.000 1.082 180 T CA -0.451 61.638 62.100 -0.017 0.000 0.983 180 T CB 0.992 69.844 68.868 -0.026 0.000 1.005 180 T HN 0.036 nan 8.240 nan 0.000 0.475 181 L N 5.012 126.228 121.223 -0.010 0.000 2.296 181 L HA 0.773 5.366 4.340 0.421 0.000 0.286 181 L C -1.229 175.629 176.870 -0.020 0.000 1.023 181 L CA -0.943 53.892 54.840 -0.009 0.000 0.812 181 L CB 1.198 43.246 42.059 -0.018 0.000 1.223 181 L HN 0.483 nan 8.230 nan 0.000 0.421 182 L N 6.126 127.341 121.223 -0.013 0.000 2.333 182 L HA 0.734 5.327 4.340 0.421 0.000 0.280 182 L C -1.329 175.523 176.870 -0.031 0.000 1.004 182 L CA -0.295 54.531 54.840 -0.023 0.000 0.820 182 L CB 1.940 43.987 42.059 -0.019 0.000 1.247 182 L HN 0.391 nan 8.230 nan 0.000 0.416 183 V N 6.360 126.244 119.914 -0.049 0.000 2.483 183 V HA 0.459 4.832 4.120 0.421 0.000 0.297 183 V C -0.198 175.843 176.094 -0.088 0.000 1.027 183 V CA -0.547 61.712 62.300 -0.068 0.000 0.855 183 V CB 1.789 33.568 31.823 -0.073 0.000 0.995 183 V HN 0.635 nan 8.190 nan 0.000 0.424 184 L N 3.773 124.913 121.223 -0.139 0.000 2.325 184 L HA 0.575 5.168 4.340 0.421 0.000 0.279 184 L C -0.035 176.681 176.870 -0.258 0.000 1.054 184 L CA -0.401 54.328 54.840 -0.184 0.000 0.804 184 L CB 1.329 43.234 42.059 -0.257 0.000 1.200 184 L HN 0.534 nan 8.230 nan 0.000 0.436 185 D N 1.283 121.624 120.400 -0.098 0.000 2.473 185 D HA 0.114 5.007 4.640 0.421 0.000 0.226 185 D C 1.026 177.323 176.300 -0.004 0.000 1.089 185 D CA -0.355 53.597 54.000 -0.080 0.000 0.883 185 D CB 0.607 41.405 40.800 -0.005 0.000 1.029 185 D HN 0.469 nan 8.370 nan 0.000 0.517 186 H N 2.049 121.200 119.070 0.134 0.000 2.289 186 H HA -0.185 4.624 4.556 0.421 0.000 0.296 186 H C 1.724 177.065 175.328 0.022 0.000 1.091 186 H CA 1.272 57.400 56.048 0.133 0.000 1.274 186 H CB 0.025 29.830 29.762 0.070 0.000 1.364 186 H HN 0.575 nan 8.280 nan 0.000 0.490 187 Q N 1.423 121.300 119.800 0.128 0.000 1.800 187 Q HA -0.207 4.386 4.340 0.421 0.000 0.289 187 Q C 2.260 178.244 176.000 -0.026 0.000 1.015 187 Q CA 1.698 57.525 55.803 0.039 0.000 0.890 187 Q CB -0.112 28.649 28.738 0.038 0.000 0.958 187 Q HN 0.372 nan 8.270 nan 0.000 0.416 188 R N -0.416 120.069 120.500 -0.025 0.000 2.261 188 R HA -0.091 4.502 4.340 0.421 0.000 0.236 188 R C 1.156 177.384 176.300 -0.121 0.000 1.141 188 R CA 0.587 56.657 56.100 -0.052 0.000 1.001 188 R CB -0.565 29.721 30.300 -0.024 0.000 0.866 188 R HN 0.732 nan 8.270 nan 0.000 0.468 189 G N 1.227 109.921 108.800 -0.177 0.000 2.314 189 G HA2 -0.286 3.926 3.960 0.421 0.000 0.292 189 G HA3 -0.286 3.926 3.960 0.421 0.000 0.292 189 G C -0.241 174.523 174.900 -0.228 0.000 1.059 189 G CA 0.569 45.331 45.100 -0.564 0.000 0.982 189 G HN 0.383 nan 8.290 nan 0.000 0.505 190 S N -0.890 114.886 115.700 0.128 0.000 2.536 190 S HA 0.890 5.612 4.470 0.421 0.000 0.298 190 S C 0.042 174.768 174.600 0.210 0.000 1.083 190 S CA 0.404 58.715 58.200 0.186 0.000 0.995 190 S CB 1.877 65.112 63.200 0.059 0.000 1.058 190 S HN 1.882 nan 8.310 nan 0.000 0.488 191 A N 3.581 126.481 122.820 0.134 0.000 2.291 191 A HA 0.665 5.238 4.320 0.421 0.000 0.311 191 A C -0.290 177.296 177.584 0.004 0.000 1.224 191 A CA -0.712 51.342 52.037 0.029 0.000 0.821 191 A CB 0.524 19.509 19.000 -0.026 0.000 1.172 191 A HN 0.831 nan 8.150 nan 0.000 0.494 192 R N 3.350 123.842 120.500 -0.014 0.000 2.215 192 R HA 0.602 5.195 4.340 0.421 0.000 0.336 192 R C -1.472 174.811 176.300 -0.028 0.000 0.996 192 R CA -0.310 55.779 56.100 -0.019 0.000 0.847 192 R CB 0.502 30.790 30.300 -0.021 0.000 1.127 192 R HN 0.746 nan 8.270 nan 0.000 0.465 193 L N 5.072 126.280 121.223 -0.025 0.000 2.317 193 L HA 0.447 5.040 4.340 0.421 0.000 0.281 193 L C -0.820 176.031 176.870 -0.031 0.000 1.024 193 L CA -0.419 54.404 54.840 -0.029 0.000 0.810 193 L CB 1.519 43.562 42.059 -0.027 0.000 1.240 193 L HN 0.810 nan 8.230 nan 0.000 0.427 194 Q N 3.765 123.544 119.800 -0.035 0.000 2.482 194 Q HA 0.846 5.439 4.340 0.421 0.000 0.286 194 Q C -2.014 173.955 176.000 -0.052 0.000 1.007 194 Q CA -1.078 54.699 55.803 -0.042 0.000 0.801 194 Q CB 2.301 31.015 28.738 -0.040 0.000 1.455 194 Q HN 0.602 nan 8.270 nan 0.000 0.398 195 A N 0.983 123.759 122.820 -0.073 0.000 2.449 195 A HA 0.794 5.366 4.320 0.421 0.000 0.302 195 A C -1.134 176.355 177.584 -0.159 0.000 1.048 195 A CA -0.655 51.319 52.037 -0.106 0.000 0.708 195 A CB 2.349 21.285 19.000 -0.106 0.000 1.274 195 A HN 0.569 nan 8.150 nan 0.000 0.410 196 S N 0.240 115.786 115.700 -0.257 0.000 2.482 196 S HA 0.592 5.315 4.470 0.421 0.000 0.303 196 S C -0.737 173.418 174.600 -0.742 0.000 1.091 196 S CA -0.470 57.479 58.200 -0.418 0.000 1.057 196 S CB 1.597 64.579 63.200 -0.363 0.000 1.031 196 S HN 0.675 nan 8.310 nan 0.000 0.485 197 V N 4.692 124.272 119.914 -0.557 0.000 2.304 197 V HA 0.260 4.633 4.120 0.421 0.000 0.278 197 V C 0.062 175.923 176.094 -0.388 0.000 1.018 197 V CA -0.407 61.605 62.300 -0.480 0.000 0.814 197 V CB 0.092 31.776 31.823 -0.233 0.000 1.021 197 V HN 0.970 nan 8.190 nan 0.000 0.440 198 F N 1.326 121.270 119.950 -0.010 0.000 2.216 198 F HA -0.110 4.670 4.527 0.421 0.000 0.300 198 F C 1.867 177.665 175.800 -0.003 0.000 1.085 198 F CA 1.122 59.118 58.000 -0.005 0.000 1.326 198 F CB -0.004 38.995 39.000 -0.002 0.000 1.027 198 F HN 0.499 nan 8.300 nan 0.000 0.497 199 S N -1.378 114.384 115.700 0.103 0.000 4.337 199 S HA 0.190 4.913 4.470 0.421 0.000 0.207 199 S C 1.312 175.920 174.600 0.013 0.000 1.031 199 S CA -0.578 57.661 58.200 0.064 0.000 1.792 199 S CB 0.552 63.796 63.200 0.072 0.000 0.767 199 S HN 0.004 nan 8.310 nan 0.000 0.736 200 E N 0.435 120.640 120.200 0.008 0.000 2.184 200 E HA 0.188 4.790 4.350 0.421 0.000 0.194 200 E C -0.581 176.006 176.600 -0.022 0.000 0.978 200 E CA 0.185 56.580 56.400 -0.008 0.000 0.998 200 E CB -0.344 29.356 29.700 0.001 0.000 1.240 200 E HN 0.361 nan 8.360 nan 0.000 0.492 201 Q N 0.615 120.407 119.800 -0.013 0.000 2.536 201 Q HA -0.214 4.379 4.340 0.421 0.000 0.188 201 Q C 0.617 176.595 176.000 -0.038 0.000 1.314 201 Q CA 0.736 56.527 55.803 -0.020 0.000 0.725 201 Q CB -1.300 27.429 28.738 -0.015 0.000 0.843 201 Q HN 0.419 nan 8.270 nan 0.000 0.315 202 A N 2.190 124.988 122.820 -0.036 0.000 2.067 202 A HA -0.190 4.383 4.320 0.421 0.000 0.219 202 A C 2.104 179.653 177.584 -0.059 0.000 1.158 202 A CA 1.511 53.518 52.037 -0.050 0.000 0.661 202 A CB -0.262 18.715 19.000 -0.039 0.000 0.801 202 A HN 0.809 nan 8.150 nan 0.000 0.452 203 S N -0.020 115.655 115.700 -0.042 0.000 2.370 203 S HA -0.211 4.511 4.470 0.421 0.000 0.226 203 S C 1.667 176.234 174.600 -0.055 0.000 1.033 203 S CA 1.478 59.655 58.200 -0.039 0.000 1.011 203 S CB -0.340 62.847 63.200 -0.022 0.000 0.852 203 S HN 0.581 nan 8.310 nan 0.000 0.457 204 E N 1.912 122.077 120.200 -0.058 0.000 2.033 204 E HA 0.127 4.730 4.350 0.421 0.000 0.189 204 E C 2.642 179.179 176.600 -0.106 0.000 0.979 204 E CA 1.052 57.409 56.400 -0.071 0.000 0.802 204 E CB -0.962 28.700 29.700 -0.064 0.000 0.763 204 E HN 0.594 nan 8.360 nan 0.000 0.449 205 A N 1.791 124.546 122.820 -0.109 0.000 1.915 205 A HA -0.271 4.301 4.320 0.421 0.000 0.220 205 A C 2.165 179.646 177.584 -0.171 0.000 1.198 205 A CA 1.821 53.781 52.037 -0.129 0.000 0.647 205 A CB -0.480 18.456 19.000 -0.107 0.000 0.825 205 A HN 0.120 nan 8.150 nan 0.000 0.456 206 Q N -1.068 118.616 119.800 -0.193 0.000 2.123 206 Q HA -0.076 4.517 4.340 0.421 0.000 0.199 206 Q C 2.227 177.996 176.000 -0.385 0.000 0.966 206 Q CA 1.420 57.012 55.803 -0.352 0.000 0.845 206 Q CB -0.383 28.184 28.738 -0.285 0.000 0.907 206 Q HN 0.770 nan 8.270 nan 0.000 0.439 207 R N 0.022 120.418 120.500 -0.173 0.000 2.073 207 R HA -0.080 4.513 4.340 0.421 0.000 0.234 207 R C 2.285 178.543 176.300 -0.069 0.000 1.134 207 R CA 1.082 57.136 56.100 -0.077 0.000 0.952 207 R CB -0.146 30.128 30.300 -0.043 0.000 0.850 207 R HN 0.207 nan 8.270 nan 0.000 0.433 208 L N 0.214 121.377 121.223 -0.101 0.000 2.072 208 L HA -0.139 4.454 4.340 0.421 0.000 0.205 208 L C 2.678 179.496 176.870 -0.087 0.000 1.079 208 L CA 0.897 55.686 54.840 -0.086 0.000 0.752 208 L CB -0.523 41.470 42.059 -0.111 0.000 0.906 208 L HN 0.241 nan 8.230 nan 0.000 0.436 209 Q N 0.114 119.826 119.800 -0.147 0.000 2.062 209 Q HA -0.267 4.326 4.340 0.421 0.000 0.209 209 Q C 2.193 178.168 176.000 -0.041 0.000 0.996 209 Q CA 2.026 57.745 55.803 -0.141 0.000 0.859 209 Q CB -0.287 28.299 28.738 -0.253 0.000 0.920 209 Q HN 0.464 nan 8.270 nan 0.000 0.415 210 H N -0.826 118.222 119.070 -0.037 0.000 2.389 210 H HA 0.001 4.809 4.556 0.421 0.000 0.299 210 H C 2.065 177.371 175.328 -0.036 0.000 1.081 210 H CA 1.519 57.547 56.048 -0.033 0.000 1.345 210 H CB -0.193 29.551 29.762 -0.030 0.000 1.393 210 H HN 0.172 nan 8.280 nan 0.000 0.520 211 R N 0.679 121.225 120.500 0.077 0.000 2.127 211 R HA -0.091 4.502 4.340 0.421 0.000 0.238 211 R C 1.873 178.175 176.300 0.002 0.000 1.134 211 R CA 0.605 56.717 56.100 0.020 0.000 0.975 211 R CB -0.604 29.690 30.300 -0.010 0.000 0.865 211 R HN 0.110 nan 8.270 nan 0.000 0.447 212 L N 0.411 121.635 121.223 0.001 0.000 2.201 212 L HA -0.044 4.549 4.340 0.421 0.000 0.212 212 L C 1.807 178.677 176.870 0.000 0.000 1.105 212 L CA 1.626 56.461 54.840 -0.009 0.000 0.775 212 L CB -0.609 41.441 42.059 -0.016 0.000 0.913 212 L HN 0.143 nan 8.230 nan 0.000 0.440 213 E N -0.955 119.258 120.200 0.021 0.000 2.033 213 E HA -0.184 4.419 4.350 0.421 0.000 0.189 213 E C 2.155 178.752 176.600 -0.006 0.000 0.979 213 E CA 0.896 57.305 56.400 0.015 0.000 0.802 213 E CB -0.203 29.517 29.700 0.033 0.000 0.763 213 E HN 0.452 nan 8.360 nan 0.000 0.449 214 Q N 0.346 120.143 119.800 -0.006 0.000 2.112 214 Q HA -0.203 4.390 4.340 0.421 0.000 0.206 214 Q C 2.193 178.176 176.000 -0.028 0.000 0.987 214 Q CA 1.492 57.282 55.803 -0.022 0.000 0.858 214 Q CB -0.263 28.463 28.738 -0.020 0.000 0.905 214 Q HN 0.332 nan 8.270 nan 0.000 0.420 215 L N 0.154 121.361 121.223 -0.027 0.000 1.994 215 L HA -0.260 4.333 4.340 0.421 0.000 0.208 215 L C 2.587 179.438 176.870 -0.032 0.000 1.071 215 L CA 1.680 56.499 54.840 -0.035 0.000 0.745 215 L CB -0.271 41.767 42.059 -0.034 0.000 0.892 215 L HN 0.436 nan 8.230 nan 0.000 0.431 216 Q N -0.649 119.137 119.800 -0.023 0.000 2.061 216 Q HA -0.248 4.345 4.340 0.421 0.000 0.204 216 Q C 2.181 178.169 176.000 -0.021 0.000 0.984 216 Q CA 1.724 57.515 55.803 -0.020 0.000 0.846 216 Q CB -0.290 28.441 28.738 -0.012 0.000 0.902 216 Q HN 0.662 nan 8.270 nan 0.000 0.421 217 A N 1.003 123.810 122.820 -0.022 0.000 2.131 217 A HA -0.226 4.346 4.320 0.421 0.000 0.220 217 A C 1.636 179.204 177.584 -0.027 0.000 1.158 217 A CA 1.430 53.453 52.037 -0.024 0.000 0.665 217 A CB -0.271 18.712 19.000 -0.027 0.000 0.795 217 A HN 0.373 nan 8.150 nan 0.000 0.460 218 E N -0.390 119.791 120.200 -0.032 0.000 2.216 218 E HA 0.096 4.699 4.350 0.421 0.000 0.192 218 E C 1.103 177.683 176.600 -0.035 0.000 0.973 218 E CA 0.061 56.438 56.400 -0.038 0.000 0.851 218 E CB -0.178 29.493 29.700 -0.049 0.000 0.804 218 E HN 0.570 nan 8.360 nan 0.000 0.477 219 L N 1.376 122.579 121.223 -0.033 0.000 2.834 219 L HA -0.139 4.454 4.340 0.421 0.000 0.252 219 L C 1.231 178.088 176.870 -0.022 0.000 1.152 219 L CA 0.724 55.543 54.840 -0.034 0.000 0.898 219 L CB -0.247 41.790 42.059 -0.036 0.000 1.078 219 L HN 0.147 nan 8.230 nan 0.000 0.439 220 Q N -1.628 118.161 119.800 -0.018 0.000 2.462 220 Q HA 0.148 4.741 4.340 0.421 0.000 0.194 220 Q C 1.335 177.328 176.000 -0.011 0.000 0.694 220 Q CA 0.665 56.462 55.803 -0.010 0.000 0.873 220 Q CB -0.223 28.510 28.738 -0.008 0.000 1.261 220 Q HN 0.387 nan 8.270 nan 0.000 0.531 221 Q N 2.317 122.107 119.800 -0.017 0.000 3.493 221 Q HA -0.109 4.484 4.340 0.421 0.000 0.239 221 Q C -1.978 174.013 176.000 -0.015 0.000 1.313 221 Q CA 1.123 56.915 55.803 -0.018 0.000 1.220 221 Q CB -2.462 26.260 28.738 -0.027 0.000 1.485 221 Q HN 0.317 nan 8.270 nan 0.000 0.629 222 P HA 0.166 nan 4.420 nan 0.000 0.268 222 P C -2.500 174.797 177.300 -0.004 0.000 1.485 222 P CA -1.015 62.080 63.100 -0.008 0.000 1.102 222 P CB 0.106 31.800 31.700 -0.010 0.000 1.501 223 P HA 0.132 nan 4.420 nan 0.000 0.238 223 P C 0.042 177.368 177.300 0.044 0.000 1.794 223 P CA -0.077 63.035 63.100 0.020 0.000 1.088 223 P CB 0.269 31.979 31.700 0.016 0.000 1.923 224 Q N 2.697 122.532 119.800 0.057 0.000 2.454 224 Q HA 0.198 4.791 4.340 0.421 0.000 0.247 224 Q C -1.835 174.239 176.000 0.123 0.000 1.028 224 Q CA -1.390 54.461 55.803 0.080 0.000 0.910 224 Q CB -0.582 28.206 28.738 0.084 0.000 1.276 224 Q HN 0.363 nan 8.270 nan 0.000 0.489 225 P HA 0.011 nan 4.420 nan 0.000 0.272 225 P C -1.068 176.260 177.300 0.047 0.000 1.254 225 P CA -0.291 62.845 63.100 0.060 0.000 0.795 225 P CB 0.338 32.057 31.700 0.032 0.000 1.022 226 I N -1.777 118.777 120.570 -0.028 0.000 2.315 226 I HA 0.409 4.832 4.170 0.421 0.000 0.291 226 I C -2.439 173.699 176.117 0.035 0.000 1.006 226 I CA -3.203 57.984 61.300 -0.188 0.000 1.265 226 I CB -0.383 37.514 38.000 -0.171 0.000 1.387 226 I HN 0.084 nan 8.210 nan 0.000 0.475 227 P HA 0.140 nan 4.420 nan 0.000 0.264 227 P C -1.069 176.335 177.300 0.174 0.000 1.193 227 P CA 0.448 63.617 63.100 0.116 0.000 0.763 227 P CB 0.147 31.895 31.700 0.079 0.000 0.810 228 H N 0.592 119.681 119.070 0.032 0.000 2.800 228 H HA 0.284 5.093 4.556 0.421 0.000 0.322 228 H C -0.121 175.287 175.328 0.134 0.000 0.979 228 H CA -0.500 55.592 56.048 0.073 0.000 1.277 228 H CB 0.985 30.824 29.762 0.129 0.000 1.484 228 H HN 0.344 nan 8.280 nan 0.000 0.512 229 Q N 2.794 122.765 119.800 0.286 0.000 2.286 229 Q HA 0.194 4.786 4.340 0.421 0.000 0.257 229 Q C -0.561 175.637 176.000 0.330 0.000 0.941 229 Q CA -0.596 55.363 55.803 0.259 0.000 0.912 229 Q CB 0.635 29.505 28.738 0.220 0.000 1.192 229 Q HN 0.500 nan 8.270 nan 0.000 0.410 230 K N 4.794 125.320 120.400 0.211 0.000 2.333 230 K HA 0.093 4.666 4.320 0.421 0.000 0.241 230 K C 0.149 176.851 176.600 0.170 0.000 1.193 230 K CA -0.232 56.179 56.287 0.206 0.000 1.142 230 K CB 0.231 32.749 32.500 0.031 0.000 1.731 230 K HN 0.539 nan 8.250 nan 0.000 0.344 231 L N 1.893 123.238 121.223 0.203 0.000 2.737 231 L HA -0.019 4.574 4.340 0.421 0.000 0.246 231 L C 0.526 177.464 176.870 0.115 0.000 1.153 231 L CA 0.657 55.567 54.840 0.117 0.000 0.920 231 L CB -1.200 40.886 42.059 0.044 0.000 1.090 231 L HN 0.444 nan 8.230 nan 0.000 0.430 232 E N 1.300 121.582 120.200 0.137 0.000 3.142 232 E HA -0.280 4.322 4.350 0.421 0.000 0.276 232 E C -0.068 176.576 176.600 0.074 0.000 0.887 232 E CA 0.888 57.355 56.400 0.111 0.000 0.975 232 E CB 0.035 29.790 29.700 0.090 0.000 0.937 232 E HN 0.550 nan 8.360 nan 0.000 0.516 233 N N 2.231 120.968 118.700 0.062 0.000 2.862 233 N HA -0.154 4.838 4.740 0.421 0.000 0.246 233 N C -0.911 174.629 175.510 0.050 0.000 1.101 233 N CA 1.271 54.347 53.050 0.042 0.000 0.679 233 N CB -1.646 36.861 38.487 0.033 0.000 0.986 233 N HN 0.596 nan 8.380 nan 0.000 0.557 234 M N -1.580 118.060 119.600 0.066 0.000 2.318 234 M HA 0.585 5.318 4.480 0.421 0.000 0.347 234 M C 0.221 176.572 176.300 0.085 0.000 1.175 234 M CA -0.564 54.778 55.300 0.070 0.000 1.075 234 M CB 1.825 34.473 32.600 0.079 0.000 1.614 234 M HN -0.007 nan 8.290 nan 0.000 0.456 235 Q N 2.408 122.250 119.800 0.071 0.000 2.293 235 Q HA 0.597 5.190 4.340 0.421 0.000 0.261 235 Q C -1.624 174.428 176.000 0.087 0.000 0.960 235 Q CA -0.731 55.123 55.803 0.085 0.000 0.882 235 Q CB 1.835 30.605 28.738 0.053 0.000 1.275 235 Q HN 0.840 nan 8.270 nan 0.000 0.445 236 L N 2.498 123.807 121.223 0.144 0.000 2.417 236 L HA 0.569 5.162 4.340 0.421 0.000 0.268 236 L C -0.913 175.996 176.870 0.064 0.000 1.158 236 L CA 0.732 55.630 54.840 0.095 0.000 0.819 236 L CB 1.065 43.192 42.059 0.113 0.000 1.112 236 L HN 0.741 nan 8.230 nan 0.000 0.458 237 S N 2.247 117.973 115.700 0.044 0.000 2.634 237 S HA 0.791 5.514 4.470 0.421 0.000 0.296 237 S C -1.204 173.439 174.600 0.072 0.000 1.104 237 S CA -0.751 57.472 58.200 0.037 0.000 0.920 237 S CB 1.495 64.687 63.200 -0.012 0.000 1.111 237 S HN 0.776 nan 8.310 nan 0.000 0.493 238 C N 2.305 121.626 119.300 0.035 0.000 2.698 238 C HA 0.515 5.228 4.460 0.421 0.000 0.309 238 C C 1.328 176.263 174.990 -0.091 0.000 1.186 238 C CA -1.085 57.912 59.018 -0.034 0.000 1.474 238 C CB 1.260 29.017 27.740 0.027 0.000 2.020 238 C HN 1.063 nan 8.230 nan 0.000 0.474 239 N N 1.158 119.754 118.700 -0.172 0.000 2.461 239 N HA -0.052 4.941 4.740 0.421 0.000 0.188 239 N C 0.022 175.474 175.510 -0.098 0.000 1.134 239 N CA 0.407 53.383 53.050 -0.123 0.000 0.878 239 N CB 0.337 38.736 38.487 -0.147 0.000 0.972 239 N HN 0.976 nan 8.380 nan 0.000 0.456 240 Q N -0.362 119.375 119.800 -0.106 0.000 2.518 240 Q HA 0.235 4.828 4.340 0.421 0.000 0.254 240 Q C -1.596 174.387 176.000 -0.029 0.000 0.962 240 Q CA -0.799 54.974 55.803 -0.050 0.000 0.982 240 Q CB 0.792 29.510 28.738 -0.033 0.000 1.516 240 Q HN 0.116 nan 8.270 nan 0.000 0.426 241 S N 1.785 117.495 115.700 0.016 0.000 2.645 241 S HA 0.205 4.928 4.470 0.421 0.000 0.266 241 S C 0.220 174.870 174.600 0.084 0.000 1.258 241 S CA 0.313 58.540 58.200 0.045 0.000 0.990 241 S CB 0.782 64.008 63.200 0.043 0.000 0.967 241 S HN 0.679 nan 8.310 nan 0.000 0.556 242 D N 0.982 121.439 120.400 0.095 0.000 2.172 242 D HA -0.118 4.775 4.640 0.421 0.000 0.196 242 D C 1.682 178.062 176.300 0.134 0.000 0.999 242 D CA 1.777 55.857 54.000 0.133 0.000 0.856 242 D CB -0.295 40.566 40.800 0.101 0.000 0.934 242 D HN 0.676 nan 8.370 nan 0.000 0.453 243 E N 0.390 120.641 120.200 0.084 0.000 2.072 243 E HA -0.110 4.493 4.350 0.421 0.000 0.191 243 E C 1.996 178.627 176.600 0.051 0.000 0.985 243 E CA 0.872 57.307 56.400 0.058 0.000 0.801 243 E CB -0.119 29.604 29.700 0.038 0.000 0.750 243 E HN 0.441 nan 8.360 nan 0.000 0.452 244 E N -0.722 119.513 120.200 0.059 0.000 2.072 244 E HA -0.177 4.426 4.350 0.421 0.000 0.190 244 E C 1.777 178.410 176.600 0.056 0.000 0.982 244 E CA 0.813 57.238 56.400 0.041 0.000 0.803 244 E CB -0.239 29.483 29.700 0.036 0.000 0.755 244 E HN 0.257 nan 8.360 nan 0.000 0.453 245 Y N 1.435 121.721 120.300 -0.023 0.000 2.114 245 Y HA -0.162 4.640 4.550 0.420 0.000 0.284 245 Y C 2.410 178.303 175.900 -0.012 0.000 1.143 245 Y CA 1.888 59.972 58.100 -0.026 0.000 1.135 245 Y CB -0.772 37.675 38.460 -0.021 0.000 0.980 245 Y HN 0.011 nan 8.280 nan 0.000 0.499 246 G N -0.475 108.344 108.800 0.031 0.000 2.450 246 G HA2 -0.265 3.948 3.960 0.421 0.000 0.220 246 G HA3 -0.265 3.948 3.960 0.421 0.000 0.220 246 G C 1.770 176.611 174.900 -0.098 0.000 1.130 246 G CA 0.970 46.042 45.100 -0.047 0.000 0.760 246 G HN 0.612 nan 8.290 nan 0.000 0.557 247 A N -0.125 122.654 122.820 -0.069 0.000 1.968 247 A HA 0.214 4.787 4.320 0.421 0.000 0.217 247 A C 2.551 180.071 177.584 -0.108 0.000 1.169 247 A CA 1.442 53.439 52.037 -0.067 0.000 0.638 247 A CB -0.350 18.628 19.000 -0.038 0.000 0.812 247 A HN 0.228 nan 8.150 nan 0.000 0.446 248 V N -0.351 119.464 119.914 -0.164 0.000 2.307 248 V HA -0.212 4.161 4.120 0.421 0.000 0.245 248 V C 2.599 178.550 176.094 -0.239 0.000 1.045 248 V CA 2.012 64.192 62.300 -0.200 0.000 1.024 248 V CB -0.557 31.115 31.823 -0.252 0.000 0.651 248 V HN 0.378 nan 8.190 nan 0.000 0.449 249 V N -0.231 119.474 119.914 -0.349 0.000 2.343 249 V HA -0.248 4.124 4.120 0.421 0.000 0.247 249 V C 2.529 178.536 176.094 -0.144 0.000 1.051 249 V CA 2.389 64.522 62.300 -0.279 0.000 1.036 249 V CB -0.760 30.885 31.823 -0.296 0.000 0.654 249 V HN 0.552 nan 8.190 nan 0.000 0.451 250 S N -0.747 114.884 115.700 -0.116 0.000 2.383 250 S HA -0.226 4.497 4.470 0.421 0.000 0.227 250 S C 2.008 176.570 174.600 -0.064 0.000 1.026 250 S CA 1.618 59.776 58.200 -0.069 0.000 0.981 250 S CB -0.240 62.929 63.200 -0.051 0.000 0.818 250 S HN 0.755 nan 8.310 nan 0.000 0.472 251 E N 0.984 121.138 120.200 -0.076 0.000 2.106 251 E HA -0.058 4.545 4.350 0.421 0.000 0.192 251 E C 1.874 178.437 176.600 -0.062 0.000 0.984 251 E CA 0.661 57.024 56.400 -0.063 0.000 0.806 251 E CB -0.105 29.557 29.700 -0.064 0.000 0.750 251 E HN 0.419 nan 8.360 nan 0.000 0.458 252 L N 0.566 121.743 121.223 -0.077 0.000 2.141 252 L HA -0.174 4.418 4.340 0.421 0.000 0.209 252 L C 2.569 179.408 176.870 -0.052 0.000 1.094 252 L CA 1.041 55.842 54.840 -0.066 0.000 0.763 252 L CB -0.277 41.735 42.059 -0.078 0.000 0.908 252 L HN 0.209 nan 8.230 nan 0.000 0.437 253 Q N -0.437 119.334 119.800 -0.049 0.000 2.170 253 Q HA -0.201 4.392 4.340 0.421 0.000 0.203 253 Q C 2.017 177.998 176.000 -0.031 0.000 0.976 253 Q CA 0.950 56.733 55.803 -0.033 0.000 0.858 253 Q CB -0.012 28.710 28.738 -0.027 0.000 0.907 253 Q HN 0.406 nan 8.270 nan 0.000 0.433 254 E N 0.682 120.860 120.200 -0.036 0.000 2.077 254 E HA -0.156 4.447 4.350 0.421 0.000 0.193 254 E C 1.931 178.508 176.600 -0.039 0.000 0.989 254 E CA 1.221 57.601 56.400 -0.033 0.000 0.800 254 E CB -0.203 29.478 29.700 -0.033 0.000 0.746 254 E HN 0.367 nan 8.360 nan 0.000 0.452 255 A N 0.710 123.502 122.820 -0.046 0.000 1.969 255 A HA -0.115 4.458 4.320 0.421 0.000 0.218 255 A C 2.292 179.835 177.584 -0.069 0.000 1.169 255 A CA 0.926 52.928 52.037 -0.057 0.000 0.635 255 A CB -0.526 18.437 19.000 -0.061 0.000 0.810 255 A HN 0.185 nan 8.150 nan 0.000 0.445 256 I N -0.907 119.630 120.570 -0.056 0.000 2.286 256 I HA -0.223 4.199 4.170 0.421 0.000 0.245 256 I C 2.665 178.759 176.117 -0.037 0.000 1.104 256 I CA 1.180 62.448 61.300 -0.054 0.000 1.397 256 I CB -0.321 37.668 38.000 -0.018 0.000 1.072 256 I HN 0.225 nan 8.210 nan 0.000 0.417 257 R N 0.595 121.080 120.500 -0.025 0.000 2.096 257 R HA -0.143 4.450 4.340 0.421 0.000 0.235 257 R C 1.973 178.258 176.300 -0.024 0.000 1.127 257 R CA 0.970 57.061 56.100 -0.015 0.000 0.968 257 R CB -0.277 30.015 30.300 -0.013 0.000 0.861 257 R HN 0.368 nan 8.270 nan 0.000 0.440 258 Q N -0.094 119.685 119.800 -0.036 0.000 2.515 258 Q HA 0.045 4.638 4.340 0.421 0.000 0.212 258 Q C 0.714 176.681 176.000 -0.055 0.000 0.970 258 Q CA 0.883 56.662 55.803 -0.040 0.000 0.941 258 Q CB 0.241 28.953 28.738 -0.042 0.000 0.998 258 Q HN 0.543 nan 8.270 nan 0.000 0.518 259 G N 1.737 110.496 108.800 -0.069 0.000 2.333 259 G HA2 -0.290 3.923 3.960 0.421 0.000 0.296 259 G HA3 -0.290 3.923 3.960 0.421 0.000 0.296 259 G C 0.376 175.182 174.900 -0.157 0.000 1.059 259 G CA 0.622 45.659 45.100 -0.104 0.000 1.050 259 G HN 0.475 nan 8.290 nan 0.000 0.508 260 E N -1.102 118.988 120.200 -0.183 0.000 2.434 260 E HA 0.302 4.905 4.350 0.421 0.000 0.207 260 E C 1.283 177.707 176.600 -0.294 0.000 0.929 260 E CA 0.881 57.168 56.400 -0.188 0.000 1.001 260 E CB 0.666 30.293 29.700 -0.121 0.000 1.016 260 E HN 0.859 nan 8.360 nan 0.000 0.502 261 I N -3.827 116.535 120.570 -0.348 0.000 3.102 261 I HA 0.360 4.783 4.170 0.421 0.000 0.310 261 I C -0.359 175.479 176.117 -0.465 0.000 1.246 261 I CA -0.945 60.095 61.300 -0.433 0.000 0.979 261 I CB 1.248 39.138 38.000 -0.183 0.000 1.267 261 I HN -0.255 nan 8.210 nan 0.000 0.451 262 F N 0.519 120.467 119.950 -0.004 0.000 2.419 262 F HA 0.340 5.125 4.527 0.430 0.000 0.283 262 F C 0.584 176.386 175.800 0.003 0.000 1.044 262 F CA -0.052 57.947 58.000 -0.002 0.000 1.376 262 F CB 0.312 39.310 39.000 -0.003 0.000 1.131 262 F HN 0.429 nan 8.300 nan 0.000 0.585 263 Q N 0.023 119.943 119.800 0.200 0.000 2.389 263 Q HA 0.647 5.240 4.340 0.421 0.000 0.277 263 Q C -1.519 174.525 176.000 0.074 0.000 1.082 263 Q CA -0.736 55.139 55.803 0.120 0.000 0.810 263 Q CB 3.593 32.404 28.738 0.122 0.000 1.374 263 Q HN -0.048 nan 8.270 nan 0.000 0.422 264 V N 1.056 121.004 119.914 0.056 0.000 3.087 264 V HA 0.629 5.002 4.120 0.421 0.000 0.306 264 V C -1.835 174.295 176.094 0.061 0.000 1.187 264 V CA -0.623 61.705 62.300 0.046 0.000 0.999 264 V CB 2.564 34.397 31.823 0.016 0.000 1.049 264 V HN 0.593 nan 8.190 nan 0.000 0.431 265 V N 6.992 126.951 119.914 0.076 0.000 2.320 265 V HA 0.446 4.818 4.120 0.421 0.000 0.268 265 V C -2.360 173.804 176.094 0.117 0.000 1.021 265 V CA -1.246 61.118 62.300 0.106 0.000 0.813 265 V CB 1.205 33.103 31.823 0.126 0.000 1.054 265 V HN 0.811 nan 8.190 nan 0.000 0.444 266 P HA 0.386 nan 4.420 nan 0.000 0.277 266 P C -0.308 177.128 177.300 0.226 0.000 1.240 266 P CA 0.096 63.260 63.100 0.107 0.000 0.798 266 P CB 1.769 33.467 31.700 -0.004 0.000 0.979 267 S N 1.339 117.124 115.700 0.142 0.000 2.704 267 S HA 0.889 5.611 4.470 0.421 0.000 0.296 267 S C -0.475 174.056 174.600 -0.116 0.000 1.138 267 S CA -0.835 57.350 58.200 -0.025 0.000 0.875 267 S CB 2.478 65.518 63.200 -0.267 0.000 1.151 267 S HN 0.723 nan 8.310 nan 0.000 0.500 268 R N -0.336 119.935 120.500 -0.382 0.000 2.781 268 R HA 0.649 5.241 4.340 0.421 0.000 0.269 268 R C -1.558 174.332 176.300 -0.684 0.000 1.025 268 R CA -1.198 54.617 56.100 -0.474 0.000 0.914 268 R CB 1.142 31.113 30.300 -0.549 0.000 1.236 268 R HN 0.658 nan 8.270 nan 0.000 0.465 269 R N 0.803 120.916 120.500 -0.645 0.000 2.387 269 R HA 0.391 4.984 4.340 0.421 0.000 0.314 269 R C -1.205 174.709 176.300 -0.644 0.000 0.958 269 R CA -0.464 55.290 56.100 -0.576 0.000 0.846 269 R CB 1.320 31.431 30.300 -0.315 0.000 1.147 269 R HN 0.375 nan 8.270 nan 0.000 0.447 270 F N 0.666 120.521 119.950 -0.159 0.000 2.415 270 F HA 0.307 5.086 4.527 0.420 0.000 0.348 270 F C 0.748 176.474 175.800 -0.122 0.000 1.119 270 F CA -0.522 57.389 58.000 -0.149 0.000 1.069 270 F CB 2.077 40.967 39.000 -0.184 0.000 1.124 270 F HN 0.312 nan 8.300 nan 0.000 0.472 271 S N 5.011 120.736 115.700 0.041 0.000 2.472 271 S HA 0.772 5.495 4.470 0.421 0.000 0.303 271 S C -1.452 173.120 174.600 -0.046 0.000 1.099 271 S CA -0.581 57.606 58.200 -0.022 0.000 1.077 271 S CB 0.963 64.125 63.200 -0.063 0.000 1.031 271 S HN 0.558 nan 8.310 nan 0.000 0.487 272 L N 5.633 126.817 121.223 -0.065 0.000 2.526 272 L HA 0.580 5.173 4.340 0.421 0.000 0.263 272 L C -2.923 173.909 176.870 -0.063 0.000 0.943 272 L CA -1.782 53.023 54.840 -0.059 0.000 0.859 272 L CB 1.955 44.004 42.059 -0.017 0.000 1.313 272 L HN 0.437 nan 8.230 nan 0.000 0.406 273 P HA 0.063 nan 4.420 nan 0.000 0.262 273 P C -0.780 176.502 177.300 -0.031 0.000 1.182 273 P CA 0.183 63.273 63.100 -0.017 0.000 0.761 273 P CB 0.241 31.931 31.700 -0.016 0.000 0.795 274 C N 6.877 126.184 119.300 0.012 0.000 3.362 274 C HA 0.357 5.070 4.460 0.421 0.000 0.276 274 C C -1.595 173.405 174.990 0.016 0.000 1.102 274 C CA -1.781 57.223 59.018 -0.024 0.000 1.361 274 C CB -0.146 27.720 27.740 0.210 0.000 1.822 274 C HN 0.516 nan 8.230 nan 0.000 0.538 275 P HA 0.023 nan 4.420 nan 0.000 0.215 275 P C 0.287 177.694 177.300 0.178 0.000 1.157 275 P CA 1.251 64.374 63.100 0.037 0.000 0.863 275 P CB 0.263 31.962 31.700 -0.001 0.000 0.787 276 A N -0.949 122.094 122.820 0.371 0.000 2.508 276 A HA 0.437 5.010 4.320 0.421 0.000 0.336 276 A C -1.988 175.741 177.584 0.241 0.000 1.360 276 A CA -1.355 50.838 52.037 0.261 0.000 0.841 276 A CB 0.522 19.610 19.000 0.146 0.000 1.136 276 A HN -0.004 nan 8.150 nan 0.000 0.489 277 P HA -0.127 nan 4.420 nan 0.000 0.218 277 P C 1.468 178.841 177.300 0.122 0.000 1.149 277 P CA 0.448 63.766 63.100 0.363 0.000 0.817 277 P CB 0.276 32.304 31.700 0.547 0.000 0.785 278 L N -1.088 120.162 121.223 0.045 0.000 2.291 278 L HA -0.013 4.580 4.340 0.421 0.000 0.214 278 L C 2.109 178.768 176.870 -0.352 0.000 1.120 278 L CA 1.586 56.171 54.840 -0.424 0.000 0.799 278 L CB -1.086 40.692 42.059 -0.469 0.000 0.925 278 L HN 0.080 nan 8.230 nan 0.000 0.446 279 G N 0.953 109.554 108.800 -0.332 0.000 2.414 279 G HA2 -0.174 4.039 3.960 0.421 0.000 0.215 279 G HA3 -0.174 4.039 3.960 0.421 0.000 0.215 279 G C -0.589 174.061 174.900 -0.417 0.000 1.188 279 G CA 0.646 45.439 45.100 -0.512 0.000 0.783 279 G HN 0.351 nan 8.290 nan 0.000 0.537 280 P HA -0.164 nan 4.420 nan 0.000 0.216 280 P C 1.560 178.685 177.300 -0.292 0.000 1.153 280 P CA 1.012 63.986 63.100 -0.210 0.000 0.844 280 P CB -0.157 31.567 31.700 0.040 0.000 0.787 281 Y N 1.567 121.438 120.300 -0.714 0.000 2.151 281 Y HA -0.235 4.567 4.550 0.420 0.000 0.284 281 Y C 2.806 178.485 175.900 -0.368 0.000 1.166 281 Y CA 2.142 59.814 58.100 -0.714 0.000 1.163 281 Y CB -1.080 36.861 38.460 -0.865 0.000 0.974 281 Y HN -0.048 nan 8.280 nan 0.000 0.511 282 Q N -0.771 118.759 119.800 -0.451 0.000 2.084 282 Q HA -0.163 4.429 4.340 0.421 0.000 0.202 282 Q C 1.908 177.720 176.000 -0.313 0.000 0.978 282 Q CA 2.292 57.858 55.803 -0.396 0.000 0.844 282 Q CB -0.156 28.447 28.738 -0.226 0.000 0.898 282 Q HN 0.501 nan 8.270 nan 0.000 0.426 283 T N 1.202 115.612 114.554 -0.240 0.000 2.951 283 T HA -0.103 4.500 4.350 0.421 0.000 0.268 283 T C 1.623 176.229 174.700 -0.156 0.000 1.073 283 T CA 0.842 62.848 62.100 -0.157 0.000 1.134 283 T CB -0.096 68.695 68.868 -0.127 0.000 0.884 283 T HN 0.208 nan 8.240 nan 0.000 0.479 284 L N 1.410 122.505 121.223 -0.214 0.000 2.072 284 L HA 0.150 4.743 4.340 0.421 0.000 0.205 284 L C 2.332 179.077 176.870 -0.208 0.000 1.079 284 L CA 1.747 56.491 54.840 -0.160 0.000 0.752 284 L CB -0.407 41.587 42.059 -0.108 0.000 0.906 284 L HN 0.027 nan 8.230 nan 0.000 0.436 285 K N -0.892 119.267 120.400 -0.402 0.000 2.209 285 K HA -0.180 4.393 4.320 0.421 0.000 0.204 285 K C 1.432 177.942 176.600 -0.149 0.000 1.048 285 K CA 1.641 57.731 56.287 -0.328 0.000 0.940 285 K CB -0.048 32.169 32.500 -0.472 0.000 0.729 285 K HN 0.383 nan 8.250 nan 0.000 0.451 286 D N 0.064 120.384 120.400 -0.133 0.000 2.162 286 D HA -0.062 4.831 4.640 0.421 0.000 0.203 286 D C 1.138 177.456 176.300 0.031 0.000 0.967 286 D CA 1.053 55.027 54.000 -0.044 0.000 0.840 286 D CB -0.089 40.675 40.800 -0.059 0.000 0.972 286 D HN 0.376 nan 8.370 nan 0.000 0.482 287 N N -0.015 118.683 118.700 -0.003 0.000 2.405 287 N HA 0.048 5.041 4.740 0.421 0.000 0.175 287 N C -0.022 175.519 175.510 0.053 0.000 1.051 287 N CA 0.250 53.296 53.050 -0.006 0.000 0.899 287 N CB 0.487 38.947 38.487 -0.044 0.000 1.000 287 N HN -0.017 nan 8.380 nan 0.000 0.451 288 N N 0.903 119.659 118.700 0.094 0.000 2.664 288 N HA 0.160 5.153 4.740 0.421 0.000 0.287 288 N C -2.928 172.666 175.510 0.140 0.000 1.869 288 N CA -0.638 52.502 53.050 0.150 0.000 0.832 288 N CB 1.450 39.992 38.487 0.092 0.000 1.293 288 N HN 0.102 nan 8.380 nan 0.000 0.498 289 P HA 0.008 nan 4.420 nan 0.000 0.265 289 P C 0.005 177.341 177.300 0.061 0.000 1.193 289 P CA 0.565 63.692 63.100 0.046 0.000 0.765 289 P CB 0.952 32.645 31.700 -0.011 0.000 0.823 290 S N 2.102 117.818 115.700 0.027 0.000 2.625 290 S HA 0.544 5.267 4.470 0.421 0.000 0.271 290 S C -2.524 172.073 174.600 -0.004 0.000 1.161 290 S CA -1.219 57.019 58.200 0.063 0.000 0.820 290 S CB 1.785 65.101 63.200 0.194 0.000 1.137 290 S HN 0.210 nan 8.310 nan 0.000 0.470 291 P HA 0.133 nan 4.420 nan 0.000 0.237 291 P C -0.612 176.600 177.300 -0.147 0.000 1.178 291 P CA 0.771 63.809 63.100 -0.102 0.000 0.766 291 P CB -0.300 31.343 31.700 -0.094 0.000 0.876 292 Y N -0.115 120.249 120.300 0.106 0.000 2.662 292 Y HA 0.412 5.217 4.550 0.424 0.000 0.358 292 Y C 0.623 176.679 175.900 0.260 0.000 1.041 292 Y CA -0.464 57.753 58.100 0.195 0.000 1.184 292 Y CB 0.504 39.081 38.460 0.194 0.000 1.114 292 Y HN -0.213 nan 8.280 nan 0.000 0.650 293 M N 2.415 122.195 119.600 0.300 0.000 2.705 293 M HA 0.703 5.436 4.480 0.421 0.000 0.311 293 M C -1.195 175.305 176.300 0.333 0.000 1.214 293 M CA -0.948 54.477 55.300 0.208 0.000 0.920 293 M CB 2.147 34.844 32.600 0.162 0.000 1.687 293 M HN 0.353 nan 8.290 nan 0.000 0.481 294 F N -0.284 119.868 119.950 0.337 0.000 2.688 294 F HA 0.703 5.482 4.527 0.419 0.000 0.308 294 F C -2.156 173.698 175.800 0.089 0.000 1.117 294 F CA -1.472 56.637 58.000 0.182 0.000 0.976 294 F CB 0.962 40.072 39.000 0.183 0.000 1.291 294 F HN 0.455 nan 8.300 nan 0.000 0.439 295 F N 4.738 124.607 119.950 -0.136 0.000 2.612 295 F HA 0.612 5.391 4.527 0.420 0.000 0.332 295 F C -1.360 174.373 175.800 -0.111 0.000 1.167 295 F CA -0.791 57.026 58.000 -0.304 0.000 0.970 295 F CB 1.733 40.150 39.000 -0.971 0.000 1.234 295 F HN 0.806 nan 8.300 nan 0.000 0.453 296 M N 6.805 126.312 119.600 -0.155 0.000 2.078 296 M HA 0.359 5.092 4.480 0.421 0.000 0.320 296 M C -1.245 174.909 176.300 -0.244 0.000 0.969 296 M CA -0.535 54.734 55.300 -0.052 0.000 0.929 296 M CB 1.237 33.879 32.600 0.071 0.000 1.504 296 M HN 0.749 nan 8.290 nan 0.000 0.419 297 Q N 3.917 123.655 119.800 -0.103 0.000 2.503 297 Q HA 0.204 4.797 4.340 0.421 0.000 0.227 297 Q C -1.244 174.689 176.000 -0.111 0.000 1.109 297 Q CA -0.178 55.559 55.803 -0.111 0.000 0.922 297 Q CB 0.655 29.510 28.738 0.194 0.000 1.249 297 Q HN 0.763 nan 8.270 nan 0.000 0.530 298 D N 1.008 121.192 120.400 -0.359 0.000 2.437 298 D HA 0.111 5.004 4.640 0.421 0.000 0.259 298 D C 0.163 176.260 176.300 -0.339 0.000 1.118 298 D CA -0.407 53.343 54.000 -0.417 0.000 1.017 298 D CB 1.308 41.463 40.800 -1.075 0.000 1.120 298 D HN 0.369 nan 8.370 nan 0.000 0.541 299 D N -0.591 119.672 120.400 -0.228 0.000 2.097 299 D HA -0.088 4.804 4.640 0.421 0.000 0.195 299 D C 0.570 176.819 176.300 -0.084 0.000 0.989 299 D CA 1.152 55.083 54.000 -0.116 0.000 0.827 299 D CB 0.043 40.813 40.800 -0.050 0.000 0.966 299 D HN 0.369 nan 8.370 nan 0.000 0.456 300 D N -1.076 119.282 120.400 -0.070 0.000 2.349 300 D HA 0.159 5.052 4.640 0.421 0.000 0.214 300 D C 0.143 176.573 176.300 0.218 0.000 1.063 300 D CA 0.083 54.154 54.000 0.118 0.000 0.847 300 D CB 0.544 41.518 40.800 0.289 0.000 0.933 300 D HN 0.296 nan 8.370 nan 0.000 0.513 301 F N -1.506 118.414 119.950 -0.051 0.000 2.878 301 F HA 0.334 5.114 4.527 0.421 0.000 0.322 301 F C -1.537 174.165 175.800 -0.162 0.000 1.154 301 F CA -1.396 56.488 58.000 -0.193 0.000 0.896 301 F CB 0.609 39.392 39.000 -0.360 0.000 1.313 301 F HN -0.262 nan 8.300 nan 0.000 0.451 302 T N 1.597 116.121 114.554 -0.051 0.000 2.812 302 T HA 0.693 5.296 4.350 0.421 0.000 0.282 302 T C -1.474 173.255 174.700 0.047 0.000 0.990 302 T CA -0.608 61.413 62.100 -0.131 0.000 0.960 302 T CB 1.736 70.508 68.868 -0.159 0.000 0.948 302 T HN 1.048 nan 8.240 nan 0.000 0.438 303 L N 5.237 126.525 121.223 0.108 0.000 2.376 303 L HA 0.780 5.372 4.340 0.421 0.000 0.275 303 L C -1.739 175.273 176.870 0.236 0.000 0.987 303 L CA -1.091 53.877 54.840 0.213 0.000 0.828 303 L CB 1.229 43.556 42.059 0.447 0.000 1.249 303 L HN 0.915 nan 8.230 nan 0.000 0.409 304 F N 2.729 122.819 119.950 0.233 0.000 2.599 304 F HA 0.989 5.768 4.527 0.421 0.000 0.311 304 F C -0.242 175.581 175.800 0.039 0.000 1.076 304 F CA -0.572 57.523 58.000 0.159 0.000 0.937 304 F CB 1.751 40.892 39.000 0.234 0.000 1.282 304 F HN 0.525 nan 8.300 nan 0.000 0.460 305 G N -0.147 108.382 108.800 -0.451 0.000 2.489 305 G HA2 0.752 4.965 3.960 0.421 0.000 0.305 305 G HA3 0.752 4.965 3.960 0.421 0.000 0.305 305 G C -2.401 172.112 174.900 -0.644 0.000 1.311 305 G CA -0.530 44.282 45.100 -0.480 0.000 0.813 305 G HN 1.492 nan 8.290 nan 0.000 0.480 306 A N -0.318 122.398 122.820 -0.173 0.000 2.476 306 A HA 0.798 5.370 4.320 0.421 0.000 0.280 306 A C -0.538 177.152 177.584 0.176 0.000 1.081 306 A CA -0.018 52.028 52.037 0.015 0.000 0.753 306 A CB 1.481 20.514 19.000 0.054 0.000 1.248 306 A HN 1.389 nan 8.150 nan 0.000 0.424 307 S N 2.978 118.854 115.700 0.293 0.000 2.549 307 S HA 0.703 5.426 4.470 0.421 0.000 0.297 307 S C -1.444 173.292 174.600 0.226 0.000 1.115 307 S CA -1.707 56.653 58.200 0.267 0.000 1.059 307 S CB 1.332 64.722 63.200 0.315 0.000 1.046 307 S HN 0.584 nan 8.310 nan 0.000 0.506 308 P HA 0.020 nan 4.420 nan 0.000 0.221 308 P C 0.054 177.390 177.300 0.060 0.000 1.150 308 P CA 1.042 64.179 63.100 0.062 0.000 0.800 308 P CB 0.231 31.783 31.700 -0.247 0.000 0.787 309 E N -1.982 118.152 120.200 -0.110 0.000 2.382 309 E HA 0.260 4.863 4.350 0.421 0.000 0.280 309 E C -1.246 174.864 176.600 -0.817 0.000 1.161 309 E CA -0.604 55.593 56.400 -0.338 0.000 0.905 309 E CB 0.346 29.904 29.700 -0.236 0.000 1.268 309 E HN -0.253 nan 8.360 nan 0.000 0.426 310 S N 0.544 115.531 115.700 -1.188 0.000 2.593 310 S HA 0.246 4.969 4.470 0.421 0.000 0.303 310 S C 0.691 175.051 174.600 -0.401 0.000 1.267 310 S CA 0.782 58.441 58.200 -0.903 0.000 1.047 310 S CB 0.196 63.067 63.200 -0.547 0.000 0.777 310 S HN 0.619 nan 8.310 nan 0.000 0.498 311 A N 4.026 126.715 122.820 -0.218 0.000 1.896 311 A HA 0.439 5.012 4.320 0.421 0.000 0.213 311 A C 0.189 177.782 177.584 0.016 0.000 1.306 311 A CA 0.421 52.416 52.037 -0.069 0.000 0.626 311 A CB -0.143 18.842 19.000 -0.025 0.000 0.994 311 A HN 0.623 nan 8.150 nan 0.000 0.475 312 L N -0.306 120.940 121.223 0.037 0.000 2.410 312 L HA 0.568 5.160 4.340 0.421 0.000 0.270 312 L C -0.820 176.115 176.870 0.108 0.000 0.983 312 L CA -0.313 54.566 54.840 0.064 0.000 0.822 312 L CB 1.931 44.005 42.059 0.025 0.000 1.285 312 L HN 0.231 nan 8.230 nan 0.000 0.409 313 K N 3.873 124.371 120.400 0.164 0.000 2.482 313 K HA 0.420 4.993 4.320 0.421 0.000 0.251 313 K C -2.255 174.491 176.600 0.243 0.000 0.936 313 K CA -0.654 55.752 56.287 0.198 0.000 0.791 313 K CB 2.237 34.900 32.500 0.272 0.000 1.213 313 K HN 0.593 nan 8.250 nan 0.000 0.428 314 Y N 2.251 122.585 120.300 0.058 0.000 2.433 314 Y HA 0.291 5.092 4.550 0.418 0.000 0.337 314 Y C -1.551 174.383 175.900 0.056 0.000 1.026 314 Y CA -1.112 57.013 58.100 0.042 0.000 1.037 314 Y CB 1.646 40.116 38.460 0.017 0.000 1.245 314 Y HN 0.521 nan 8.280 nan 0.000 0.443 315 D N 4.484 124.596 120.400 -0.479 0.000 2.329 315 D HA 0.417 5.310 4.640 0.421 0.000 0.232 315 D C 0.452 176.123 176.300 -1.048 0.000 1.088 315 D CA 0.384 54.066 54.000 -0.529 0.000 0.835 315 D CB 2.054 42.738 40.800 -0.193 0.000 1.078 315 D HN 0.847 nan 8.370 nan 0.000 0.495 316 A N 3.418 125.746 122.820 -0.821 0.000 2.014 316 A HA 0.037 4.610 4.320 0.421 0.000 0.218 316 A C 1.962 179.409 177.584 -0.228 0.000 1.163 316 A CA 1.484 53.195 52.037 -0.545 0.000 0.652 316 A CB -0.466 18.426 19.000 -0.179 0.000 0.808 316 A HN 0.636 nan 8.150 nan 0.000 0.449 317 G N 1.022 109.717 108.800 -0.175 0.000 2.446 317 G HA2 -0.301 3.911 3.960 0.421 0.000 0.217 317 G HA3 -0.301 3.911 3.960 0.421 0.000 0.217 317 G C 1.143 176.012 174.900 -0.051 0.000 1.168 317 G CA 1.220 46.273 45.100 -0.078 0.000 0.771 317 G HN 0.862 nan 8.290 nan 0.000 0.551 318 N N -2.057 116.605 118.700 -0.065 0.000 2.200 318 N HA 0.185 5.178 4.740 0.421 0.000 0.224 318 N C 0.748 176.269 175.510 0.019 0.000 1.179 318 N CA -0.370 52.673 53.050 -0.011 0.000 0.877 318 N CB 0.259 38.748 38.487 0.004 0.000 1.072 318 N HN 0.126 nan 8.380 nan 0.000 0.519 319 R N -0.072 120.422 120.500 -0.010 0.000 3.847 319 R HA -0.229 4.364 4.340 0.421 0.000 0.304 319 R C -0.565 175.916 176.300 0.302 0.000 1.203 319 R CA 0.652 56.876 56.100 0.207 0.000 0.835 319 R CB -1.904 28.533 30.300 0.228 0.000 1.253 319 R HN 0.607 nan 8.270 nan 0.000 0.516 320 Q N 1.299 121.180 119.800 0.135 0.000 2.307 320 Q HA 0.283 4.875 4.340 0.421 0.000 0.261 320 Q C -0.460 175.701 176.000 0.270 0.000 1.051 320 Q CA -0.166 55.726 55.803 0.148 0.000 0.911 320 Q CB 0.586 29.363 28.738 0.066 0.000 1.227 320 Q HN 0.233 nan 8.270 nan 0.000 0.418 321 I N 4.059 124.766 120.570 0.228 0.000 2.385 321 I HA 0.244 4.666 4.170 0.421 0.000 0.294 321 I C -1.001 175.129 176.117 0.022 0.000 0.988 321 I CA 0.138 61.534 61.300 0.161 0.000 1.265 321 I CB 1.192 39.180 38.000 -0.021 0.000 1.388 321 I HN 0.647 nan 8.210 nan 0.000 0.480 322 E N 7.247 127.465 120.200 0.029 0.000 2.314 322 E HA 0.585 5.187 4.350 0.421 0.000 0.272 322 E C -1.288 175.290 176.600 -0.036 0.000 0.884 322 E CA -0.650 55.703 56.400 -0.078 0.000 0.753 322 E CB 2.508 32.145 29.700 -0.106 0.000 1.213 322 E HN 0.438 nan 8.360 nan 0.000 0.432 323 I N 1.894 122.371 120.570 -0.154 0.000 2.569 323 I HA 0.322 4.745 4.170 0.421 0.000 0.296 323 I C -1.224 174.827 176.117 -0.110 0.000 1.028 323 I CA -0.961 60.310 61.300 -0.049 0.000 1.082 323 I CB 1.362 39.305 38.000 -0.096 0.000 1.264 323 I HN 0.549 nan 8.210 nan 0.000 0.429 324 Y N 5.337 125.598 120.300 -0.064 0.000 2.837 324 Y HA 0.291 5.095 4.550 0.423 0.000 0.356 324 Y C -2.169 173.711 175.900 -0.033 0.000 1.035 324 Y CA -2.651 55.424 58.100 -0.041 0.000 1.165 324 Y CB 0.269 38.708 38.460 -0.035 0.000 1.147 324 Y HN 0.296 nan 8.280 nan 0.000 0.628 325 P HA 0.083 nan 4.420 nan 0.000 0.268 325 P C -0.143 177.256 177.300 0.165 0.000 1.204 325 P CA 0.411 63.549 63.100 0.064 0.000 0.768 325 P CB 1.604 33.276 31.700 -0.046 0.000 0.842 326 I N 2.276 122.926 120.570 0.132 0.000 2.339 326 I HA 0.210 4.633 4.170 0.421 0.000 0.290 326 I C 1.461 177.688 176.117 0.183 0.000 0.994 326 I CA -0.634 60.742 61.300 0.127 0.000 1.191 326 I CB 1.728 39.738 38.000 0.016 0.000 1.343 326 I HN 0.364 nan 8.210 nan 0.000 0.458 327 A N 5.150 128.043 122.820 0.122 0.000 1.874 327 A HA 0.430 5.003 4.320 0.421 0.000 0.214 327 A C 1.045 178.637 177.584 0.013 0.000 1.189 327 A CA 1.083 53.123 52.037 0.005 0.000 0.615 327 A CB -0.095 18.567 19.000 -0.563 0.000 0.830 327 A HN 0.808 nan 8.150 nan 0.000 0.443 328 G N -3.080 105.726 108.800 0.011 0.000 2.601 328 G HA2 0.506 4.718 3.960 0.421 0.000 0.291 328 G HA3 0.506 4.718 3.960 0.421 0.000 0.291 328 G C -1.249 173.694 174.900 0.072 0.000 1.456 328 G CA 0.024 45.145 45.100 0.035 0.000 0.804 328 G HN 0.155 nan 8.290 nan 0.000 0.499 329 T N 0.809 115.402 114.554 0.064 0.000 2.900 329 T HA 0.843 5.446 4.350 0.421 0.000 0.295 329 T C -0.669 174.014 174.700 -0.028 0.000 1.044 329 T CA -0.765 61.353 62.100 0.029 0.000 0.995 329 T CB 1.927 70.879 68.868 0.139 0.000 1.072 329 T HN 0.522 nan 8.240 nan 0.000 0.473 330 R N 1.793 122.237 120.500 -0.094 0.000 2.680 330 R HA 0.480 5.073 4.340 0.421 0.000 0.269 330 R C -3.088 173.168 176.300 -0.073 0.000 1.026 330 R CA -2.163 53.902 56.100 -0.060 0.000 0.889 330 R CB 1.760 32.029 30.300 -0.052 0.000 1.241 330 R HN 0.388 nan 8.270 nan 0.000 0.463 331 P HA 0.199 nan 4.420 nan 0.000 0.274 331 P C -0.409 176.886 177.300 -0.009 0.000 1.231 331 P CA -0.495 62.601 63.100 -0.007 0.000 0.790 331 P CB 0.697 32.399 31.700 0.003 0.000 0.951 332 R N 0.914 121.424 120.500 0.018 0.000 2.694 332 R HA 0.222 4.815 4.340 0.421 0.000 0.268 332 R C 1.043 177.357 176.300 0.022 0.000 1.061 332 R CA 0.042 56.151 56.100 0.016 0.000 1.133 332 R CB -0.333 29.994 30.300 0.045 0.000 1.020 332 R HN 0.597 nan 8.270 nan 0.000 0.475 333 G N 2.073 110.881 108.800 0.012 0.000 2.343 333 G HA2 0.179 4.392 3.960 0.421 0.000 0.254 333 G HA3 0.179 4.392 3.960 0.421 0.000 0.254 333 G C -0.158 174.756 174.900 0.023 0.000 1.277 333 G CA -0.306 44.802 45.100 0.013 0.000 0.909 333 G HN 0.336 nan 8.290 nan 0.000 0.502 334 R N 1.666 122.181 120.500 0.024 0.000 2.686 334 R HA 0.332 4.925 4.340 0.421 0.000 0.286 334 R C 0.276 176.587 176.300 0.019 0.000 0.969 334 R CA -0.871 55.247 56.100 0.029 0.000 0.898 334 R CB 2.331 32.656 30.300 0.043 0.000 1.183 334 R HN 0.570 nan 8.270 nan 0.000 0.456 335 R N 0.573 121.084 120.500 0.018 0.000 2.707 335 R HA 0.126 4.719 4.340 0.421 0.000 0.270 335 R C 1.093 177.399 176.300 0.011 0.000 1.083 335 R CA 0.277 56.385 56.100 0.012 0.000 1.182 335 R CB 0.504 30.811 30.300 0.012 0.000 1.084 335 R HN 0.764 nan 8.270 nan 0.000 0.528 336 A N 1.668 124.492 122.820 0.007 0.000 2.024 336 A HA -0.197 4.375 4.320 0.421 0.000 0.220 336 A C 1.298 178.885 177.584 0.005 0.000 1.164 336 A CA 1.956 53.996 52.037 0.004 0.000 0.643 336 A CB -0.496 18.505 19.000 0.002 0.000 0.806 336 A HN 0.863 nan 8.150 nan 0.000 0.451 337 D N -1.909 118.496 120.400 0.008 0.000 2.352 337 D HA 0.234 5.127 4.640 0.421 0.000 0.232 337 D C 1.181 177.489 176.300 0.014 0.000 1.055 337 D CA 0.963 54.968 54.000 0.009 0.000 0.891 337 D CB -0.720 40.086 40.800 0.009 0.000 0.897 337 D HN 0.794 nan 8.370 nan 0.000 0.529 338 G N -0.036 108.774 108.800 0.017 0.000 2.176 338 G HA2 -0.290 3.923 3.960 0.421 0.000 0.253 338 G HA3 -0.290 3.923 3.960 0.421 0.000 0.253 338 G C 0.407 175.332 174.900 0.042 0.000 0.979 338 G CA 0.532 45.649 45.100 0.028 0.000 0.641 338 G HN 0.874 nan 8.290 nan 0.000 0.530 339 S N -0.276 115.443 115.700 0.032 0.000 2.693 339 S HA 0.755 5.478 4.470 0.421 0.000 0.276 339 S C 0.287 174.907 174.600 0.033 0.000 1.192 339 S CA -0.421 57.798 58.200 0.033 0.000 0.994 339 S CB 2.049 65.261 63.200 0.022 0.000 1.012 339 S HN 1.353 nan 8.310 nan 0.000 0.550 340 L N 1.984 123.226 121.223 0.031 0.000 2.455 340 L HA 0.344 4.936 4.340 0.421 0.000 0.272 340 L C -0.211 176.671 176.870 0.019 0.000 1.174 340 L CA 0.608 55.465 54.840 0.028 0.000 0.869 340 L CB 0.191 42.263 42.059 0.022 0.000 1.130 340 L HN 0.803 nan 8.230 nan 0.000 0.474 341 D N 4.669 125.080 120.400 0.018 0.000 2.443 341 D HA 0.130 5.023 4.640 0.421 0.000 0.221 341 D C 1.017 177.322 176.300 0.009 0.000 1.097 341 D CA -0.151 53.856 54.000 0.012 0.000 0.865 341 D CB 0.736 41.543 40.800 0.010 0.000 1.034 341 D HN 0.638 nan 8.370 nan 0.000 0.511 342 L N 2.769 123.996 121.223 0.007 0.000 2.046 342 L HA -0.140 4.452 4.340 0.421 0.000 0.208 342 L C 1.881 178.753 176.870 0.003 0.000 1.077 342 L CA 1.298 56.141 54.840 0.005 0.000 0.747 342 L CB -0.118 41.944 42.059 0.005 0.000 0.896 342 L HN 0.438 nan 8.230 nan 0.000 0.432 343 D N -0.220 120.182 120.400 0.003 0.000 2.117 343 D HA -0.235 4.657 4.640 0.421 0.000 0.197 343 D C 2.100 178.400 176.300 0.000 0.000 0.987 343 D CA 0.832 54.832 54.000 0.001 0.000 0.829 343 D CB 0.092 40.893 40.800 0.002 0.000 0.961 343 D HN 0.104 nan 8.370 nan 0.000 0.460 344 L N 0.621 121.845 121.223 0.001 0.000 2.083 344 L HA -0.079 4.514 4.340 0.421 0.000 0.209 344 L C 1.642 178.510 176.870 -0.002 0.000 1.083 344 L CA 1.937 56.777 54.840 0.000 0.000 0.752 344 L CB -0.903 41.158 42.059 0.002 0.000 0.899 344 L HN 0.048 nan 8.230 nan 0.000 0.433 345 D N -1.298 119.101 120.400 -0.001 0.000 2.144 345 D HA -0.216 4.677 4.640 0.421 0.000 0.199 345 D C 2.392 178.685 176.300 -0.010 0.000 0.984 345 D CA 1.384 55.381 54.000 -0.005 0.000 0.834 345 D CB 0.018 40.817 40.800 -0.002 0.000 0.955 345 D HN 0.555 nan 8.370 nan 0.000 0.465 346 S N -0.477 115.218 115.700 -0.007 0.000 2.368 346 S HA -0.180 4.543 4.470 0.421 0.000 0.225 346 S C 2.109 176.702 174.600 -0.012 0.000 1.030 346 S CA 0.834 59.029 58.200 -0.009 0.000 0.999 346 S CB -0.266 62.931 63.200 -0.005 0.000 0.844 346 S HN 0.138 nan 8.310 nan 0.000 0.459 347 R N 0.502 120.996 120.500 -0.009 0.000 2.092 347 R HA 0.255 4.848 4.340 0.421 0.000 0.231 347 R C 2.288 178.579 176.300 -0.014 0.000 1.119 347 R CA 1.603 57.697 56.100 -0.010 0.000 0.970 347 R CB -0.469 29.827 30.300 -0.006 0.000 0.864 347 R HN 0.513 nan 8.270 nan 0.000 0.440 348 I N 0.107 120.668 120.570 -0.015 0.000 2.353 348 I HA -0.208 4.214 4.170 0.421 0.000 0.248 348 I C 2.386 178.486 176.117 -0.028 0.000 1.119 348 I CA 1.059 62.347 61.300 -0.020 0.000 1.417 348 I CB -0.202 37.787 38.000 -0.018 0.000 1.078 348 I HN 0.286 nan 8.210 nan 0.000 0.421 349 E N 1.069 121.252 120.200 -0.030 0.000 2.110 349 E HA -0.273 4.330 4.350 0.421 0.000 0.193 349 E C 2.225 178.803 176.600 -0.038 0.000 0.988 349 E CA 1.207 57.585 56.400 -0.036 0.000 0.804 349 E CB 0.032 29.713 29.700 -0.032 0.000 0.745 349 E HN 0.305 nan 8.360 nan 0.000 0.458 350 L N 1.660 122.864 121.223 -0.031 0.000 2.093 350 L HA -0.159 4.434 4.340 0.421 0.000 0.208 350 L C 2.308 179.153 176.870 -0.042 0.000 1.085 350 L CA 1.880 56.700 54.840 -0.034 0.000 0.755 350 L CB -0.470 41.575 42.059 -0.024 0.000 0.904 350 L HN 0.150 nan 8.230 nan 0.000 0.435 351 E N -0.315 119.864 120.200 -0.035 0.000 2.072 351 E HA -0.283 4.320 4.350 0.421 0.000 0.191 351 E C 2.168 178.740 176.600 -0.047 0.000 0.985 351 E CA 1.795 58.174 56.400 -0.035 0.000 0.801 351 E CB -0.266 29.422 29.700 -0.021 0.000 0.750 351 E HN 0.633 nan 8.360 nan 0.000 0.452 352 M N 0.371 119.943 119.600 -0.046 0.000 2.067 352 M HA -0.150 4.583 4.480 0.421 0.000 0.260 352 M C 2.243 178.498 176.300 -0.076 0.000 1.069 352 M CA 1.616 56.884 55.300 -0.053 0.000 1.117 352 M CB -0.055 32.513 32.600 -0.053 0.000 1.334 352 M HN -0.075 nan 8.290 nan 0.000 0.407 353 R N -0.377 120.076 120.500 -0.079 0.000 2.293 353 R HA -0.077 4.515 4.340 0.421 0.000 0.219 353 R C 1.308 177.530 176.300 -0.130 0.000 1.091 353 R CA 1.563 57.606 56.100 -0.095 0.000 1.004 353 R CB -0.433 29.823 30.300 -0.075 0.000 0.865 353 R HN 0.604 nan 8.270 nan 0.000 0.469 354 T N -3.440 111.025 114.554 -0.148 0.000 3.145 354 T HA 0.032 4.635 4.350 0.421 0.000 0.281 354 T C 1.042 175.563 174.700 -0.299 0.000 1.003 354 T CA -0.331 61.614 62.100 -0.258 0.000 0.901 354 T CB 0.459 69.220 68.868 -0.178 0.000 1.112 354 T HN -0.068 nan 8.240 nan 0.000 0.535 355 D N 1.891 122.198 120.400 -0.156 0.000 2.149 355 D HA -0.242 4.650 4.640 0.421 0.000 0.194 355 D C 1.144 177.447 176.300 0.005 0.000 1.001 355 D CA 2.266 56.229 54.000 -0.062 0.000 0.849 355 D CB -0.196 40.589 40.800 -0.025 0.000 0.939 355 D HN 0.825 nan 8.370 nan 0.000 0.449 356 H N -2.328 116.747 119.070 0.009 0.000 4.738 356 H HA -0.214 4.596 4.556 0.424 0.000 0.073 356 H C 1.700 177.039 175.328 0.018 0.000 0.608 356 H CA 1.795 57.851 56.048 0.013 0.000 0.964 356 H CB -1.109 28.659 29.762 0.010 0.000 0.423 356 H HN 0.085 nan 8.280 nan 0.000 0.797 357 K N 1.394 121.890 120.400 0.159 0.000 2.002 357 K HA -0.067 4.505 4.320 0.421 0.000 0.209 357 K C 1.801 178.451 176.600 0.083 0.000 1.048 357 K CA 1.940 58.286 56.287 0.097 0.000 0.930 357 K CB -0.191 32.354 32.500 0.075 0.000 0.714 357 K HN 0.459 nan 8.250 nan 0.000 0.438 358 E N 0.115 120.357 120.200 0.070 0.000 2.204 358 E HA -0.148 4.455 4.350 0.421 0.000 0.195 358 E C 1.790 178.440 176.600 0.083 0.000 0.990 358 E CA 0.658 57.096 56.400 0.064 0.000 0.821 358 E CB -0.047 29.674 29.700 0.034 0.000 0.750 358 E HN 0.133 nan 8.360 nan 0.000 0.477 359 L N 0.261 121.528 121.223 0.073 0.000 2.072 359 L HA -0.017 4.576 4.340 0.421 0.000 0.205 359 L C 2.124 179.063 176.870 0.116 0.000 1.079 359 L CA 1.680 56.577 54.840 0.095 0.000 0.752 359 L CB -0.435 41.656 42.059 0.053 0.000 0.906 359 L HN 0.026 nan 8.230 nan 0.000 0.436 360 A N -0.298 122.576 122.820 0.091 0.000 1.859 360 A HA -0.285 4.288 4.320 0.421 0.000 0.217 360 A C 2.161 179.765 177.584 0.033 0.000 1.198 360 A CA 2.148 54.216 52.037 0.051 0.000 0.629 360 A CB -0.876 18.149 19.000 0.043 0.000 0.830 360 A HN 0.596 nan 8.150 nan 0.000 0.446 361 E N -1.691 118.543 120.200 0.056 0.000 2.085 361 E HA -0.268 4.335 4.350 0.421 0.000 0.194 361 E C 1.957 178.589 176.600 0.054 0.000 0.994 361 E CA 1.559 57.989 56.400 0.051 0.000 0.801 361 E CB -0.288 29.454 29.700 0.070 0.000 0.743 361 E HN 0.894 nan 8.360 nan 0.000 0.453 362 H N 0.436 119.507 119.070 0.002 0.000 2.389 362 H HA -0.006 4.542 4.556 -0.013 0.000 0.299 362 H C 1.874 177.192 175.328 -0.018 0.000 1.081 362 H CA 1.200 57.246 56.048 -0.003 0.000 1.345 362 H CB 0.007 29.770 29.762 0.002 0.000 1.393 362 H HN 0.053 nan 8.280 nan 0.000 0.520 363 L N -0.606 120.573 121.223 -0.074 0.000 2.109 363 L HA -0.123 4.470 4.340 0.421 0.000 0.207 363 L C 2.522 179.296 176.870 -0.159 0.000 1.086 363 L CA 1.297 56.062 54.840 -0.125 0.000 0.760 363 L CB -0.398 41.643 42.059 -0.030 0.000 0.910 363 L HN 0.395 nan 8.230 nan 0.000 0.437 364 M N 0.215 119.738 119.600 -0.129 0.000 2.108 364 M HA -0.220 4.513 4.480 0.421 0.000 0.261 364 M C 2.061 178.281 176.300 -0.134 0.000 1.066 364 M CA 1.904 57.119 55.300 -0.142 0.000 1.107 364 M CB -0.231 32.296 32.600 -0.122 0.000 1.356 364 M HN 0.093 nan 8.290 nan 0.000 0.406 365 L N -1.316 119.818 121.223 -0.149 0.000 2.217 365 L HA -0.115 4.478 4.340 0.421 0.000 0.211 365 L C 2.213 178.959 176.870 -0.206 0.000 1.107 365 L CA 0.405 55.156 54.840 -0.149 0.000 0.783 365 L CB -0.672 41.315 42.059 -0.120 0.000 0.919 365 L HN 0.191 nan 8.230 nan 0.000 0.442 366 V N -0.273 119.461 119.914 -0.300 0.000 2.358 366 V HA -0.266 4.107 4.120 0.421 0.000 0.246 366 V C 2.100 178.096 176.094 -0.164 0.000 1.047 366 V CA 1.754 63.895 62.300 -0.266 0.000 1.035 366 V CB -0.383 31.262 31.823 -0.296 0.000 0.658 366 V HN 0.395 nan 8.190 nan 0.000 0.452 367 D N -0.192 120.122 120.400 -0.142 0.000 2.144 367 D HA -0.134 4.759 4.640 0.421 0.000 0.199 367 D C 2.096 178.337 176.300 -0.097 0.000 0.984 367 D CA 1.084 55.020 54.000 -0.107 0.000 0.834 367 D CB -0.126 40.612 40.800 -0.104 0.000 0.955 367 D HN 0.323 nan 8.370 nan 0.000 0.465 368 L N 0.306 121.469 121.223 -0.101 0.000 2.093 368 L HA -0.138 4.455 4.340 0.421 0.000 0.208 368 L C 2.257 179.066 176.870 -0.102 0.000 1.085 368 L CA 1.134 55.922 54.840 -0.086 0.000 0.755 368 L CB -0.105 41.909 42.059 -0.075 0.000 0.904 368 L HN -0.033 nan 8.230 nan 0.000 0.435 369 A N -0.565 122.184 122.820 -0.117 0.000 1.968 369 A HA -0.141 4.432 4.320 0.421 0.000 0.217 369 A C 2.277 179.787 177.584 -0.123 0.000 1.169 369 A CA 0.903 52.864 52.037 -0.126 0.000 0.638 369 A CB -0.346 18.574 19.000 -0.134 0.000 0.812 369 A HN 0.333 nan 8.150 nan 0.000 0.446 370 R N -0.203 120.230 120.500 -0.112 0.000 2.075 370 R HA -0.108 4.485 4.340 0.421 0.000 0.232 370 R C 2.171 178.419 176.300 -0.085 0.000 1.126 370 R CA 1.269 57.313 56.100 -0.095 0.000 0.963 370 R CB -0.434 29.819 30.300 -0.078 0.000 0.858 370 R HN 0.668 nan 8.270 nan 0.000 0.435 371 N N 1.184 119.834 118.700 -0.085 0.000 2.058 371 N HA -0.168 4.825 4.740 0.421 0.000 0.191 371 N C 0.970 176.422 175.510 -0.097 0.000 1.037 371 N CA 1.592 54.595 53.050 -0.079 0.000 0.848 371 N CB -0.054 38.391 38.487 -0.071 0.000 1.021 371 N HN 0.062 nan 8.380 nan 0.000 0.422 372 D N 0.815 121.146 120.400 -0.115 0.000 2.178 372 D HA -0.075 4.818 4.640 0.421 0.000 0.201 372 D C 2.013 178.227 176.300 -0.144 0.000 0.980 372 D CA 0.527 54.442 54.000 -0.142 0.000 0.842 372 D CB -0.124 40.577 40.800 -0.165 0.000 0.948 372 D HN 0.353 nan 8.370 nan 0.000 0.472 373 L N 0.045 121.191 121.223 -0.128 0.000 2.162 373 L HA 0.071 4.664 4.340 0.421 0.000 0.205 373 L C 2.344 179.153 176.870 -0.100 0.000 1.086 373 L CA 0.659 55.425 54.840 -0.123 0.000 0.778 373 L CB -0.359 41.628 42.059 -0.121 0.000 0.928 373 L HN -0.035 nan 8.230 nan 0.000 0.446 374 A N 0.176 122.945 122.820 -0.085 0.000 2.070 374 A HA -0.217 4.356 4.320 0.421 0.000 0.220 374 A C 2.362 179.900 177.584 -0.076 0.000 1.159 374 A CA 1.238 53.236 52.037 -0.066 0.000 0.656 374 A CB -0.568 18.400 19.000 -0.054 0.000 0.800 374 A HN 0.328 nan 8.150 nan 0.000 0.453 375 R N 0.060 120.503 120.500 -0.096 0.000 2.235 375 R HA 0.028 4.621 4.340 0.421 0.000 0.213 375 R C 1.165 177.392 176.300 -0.121 0.000 1.059 375 R CA 1.526 57.561 56.100 -0.107 0.000 0.997 375 R CB -0.204 30.021 30.300 -0.125 0.000 0.884 375 R HN 0.736 nan 8.270 nan 0.000 0.462 376 I N -4.712 115.785 120.570 -0.122 0.000 4.453 376 I HA 0.332 4.755 4.170 0.421 0.000 0.342 376 I C -0.531 175.523 176.117 -0.104 0.000 1.341 376 I CA -0.789 60.431 61.300 -0.132 0.000 1.217 376 I CB 0.389 38.289 38.000 -0.167 0.000 1.545 376 I HN -0.128 nan 8.210 nan 0.000 0.557 377 C N 1.735 120.987 119.300 -0.080 0.000 2.470 377 C HA 0.449 5.162 4.460 0.421 0.000 0.341 377 C C 0.382 175.353 174.990 -0.033 0.000 1.190 377 C CA -0.402 58.586 59.018 -0.051 0.000 1.904 377 C CB 1.863 29.579 27.740 -0.040 0.000 2.354 377 C HN 0.353 nan 8.230 nan 0.000 0.509 378 Q N 1.660 121.452 119.800 -0.013 0.000 2.247 378 Q HA 0.200 4.793 4.340 0.421 0.000 0.288 378 Q C 0.376 176.375 176.000 -0.002 0.000 1.079 378 Q CA 0.277 56.077 55.803 -0.005 0.000 0.932 378 Q CB 0.281 29.025 28.738 0.010 0.000 1.133 378 Q HN 0.845 nan 8.270 nan 0.000 0.377 379 A N 2.161 124.975 122.820 -0.010 0.000 2.587 379 A HA 0.306 4.878 4.320 0.421 0.000 0.235 379 A C 1.373 178.958 177.584 0.001 0.000 1.044 379 A CA 0.842 52.874 52.037 -0.008 0.000 0.754 379 A CB -0.272 18.720 19.000 -0.013 0.000 0.968 379 A HN 1.069 nan 8.150 nan 0.000 0.509 380 G N 0.807 109.611 108.800 0.005 0.000 2.184 380 G HA2 -0.274 3.939 3.960 0.421 0.000 0.264 380 G HA3 -0.274 3.939 3.960 0.421 0.000 0.264 380 G C 1.104 176.019 174.900 0.024 0.000 0.975 380 G CA 1.317 46.420 45.100 0.005 0.000 0.642 380 G HN 2.246 nan 8.290 nan 0.000 0.536 381 S N -0.798 114.933 115.700 0.052 0.000 2.523 381 S HA 0.395 5.117 4.470 0.421 0.000 0.217 381 S C 0.868 175.604 174.600 0.228 0.000 0.996 381 S CA 0.696 58.959 58.200 0.105 0.000 0.921 381 S CB 0.317 63.566 63.200 0.080 0.000 0.829 381 S HN 1.149 nan 8.310 nan 0.000 0.495 382 R N 0.641 121.243 120.500 0.170 0.000 2.460 382 R HA 0.697 5.290 4.340 0.421 0.000 0.303 382 R C -0.668 175.768 176.300 0.227 0.000 0.968 382 R CA -0.743 55.443 56.100 0.144 0.000 0.889 382 R CB 0.259 30.560 30.300 0.003 0.000 1.123 382 R HN 0.487 nan 8.270 nan 0.000 0.455 383 Y N -1.448 118.823 120.300 -0.048 0.000 2.853 383 Y HA 0.629 5.432 4.550 0.421 0.000 0.326 383 Y C -1.480 174.385 175.900 -0.057 0.000 1.384 383 Y CA -1.757 56.315 58.100 -0.047 0.000 1.077 383 Y CB 0.759 39.198 38.460 -0.035 0.000 1.395 383 Y HN 0.187 nan 8.280 nan 0.000 0.451 384 V N 1.932 121.846 119.914 -0.001 0.000 2.348 384 V HA 0.522 4.895 4.120 0.421 0.000 0.270 384 V C 0.647 176.720 176.094 -0.035 0.000 1.037 384 V CA 0.276 62.519 62.300 -0.094 0.000 0.872 384 V CB 0.264 32.079 31.823 -0.014 0.000 1.002 384 V HN 1.034 nan 8.190 nan 0.000 0.464 385 A N 3.330 126.013 122.820 -0.228 0.000 2.081 385 A HA 0.189 4.761 4.320 0.421 0.000 0.214 385 A C 0.505 178.091 177.584 0.003 0.000 1.158 385 A CA 0.543 52.541 52.037 -0.065 0.000 0.724 385 A CB 0.095 18.969 19.000 -0.209 0.000 0.826 385 A HN 0.712 nan 8.150 nan 0.000 0.463 386 D N -0.445 119.932 120.400 -0.039 0.000 2.602 386 D HA 0.381 5.274 4.640 0.421 0.000 0.245 386 D C -1.675 174.635 176.300 0.017 0.000 1.325 386 D CA -0.191 53.811 54.000 0.003 0.000 0.952 386 D CB 1.587 42.390 40.800 0.004 0.000 1.317 386 D HN 0.063 nan 8.370 nan 0.000 0.577 387 L N 3.130 124.376 121.223 0.038 0.000 2.265 387 L HA 0.293 4.885 4.340 0.421 0.000 0.288 387 L C 0.288 177.189 176.870 0.051 0.000 1.058 387 L CA -0.060 54.815 54.840 0.058 0.000 0.809 387 L CB 0.340 42.430 42.059 0.051 0.000 1.179 387 L HN 0.635 nan 8.230 nan 0.000 0.429 388 T N 1.824 116.419 114.554 0.067 0.000 2.773 388 T HA -0.241 4.362 4.350 0.421 0.000 0.474 388 T C -0.043 174.646 174.700 -0.018 0.000 0.782 388 T CA 1.193 63.274 62.100 -0.031 0.000 2.454 388 T CB -1.744 67.071 68.868 -0.088 0.000 1.629 388 T HN 0.847 nan 8.240 nan 0.000 0.500 389 K N 0.466 120.871 120.400 0.007 0.000 2.185 389 K HA 0.848 5.421 4.320 0.421 0.000 0.240 389 K C -0.653 175.954 176.600 0.012 0.000 0.983 389 K CA -1.276 55.021 56.287 0.018 0.000 0.873 389 K CB 1.876 34.403 32.500 0.045 0.000 1.118 389 K HN 0.203 nan 8.250 nan 0.000 0.441 390 V N 1.701 121.621 119.914 0.011 0.000 2.459 390 V HA 0.252 4.625 4.120 0.421 0.000 0.295 390 V C -1.047 175.050 176.094 0.004 0.000 1.029 390 V CA -0.779 61.518 62.300 -0.005 0.000 0.874 390 V CB 1.547 33.355 31.823 -0.025 0.000 0.985 390 V HN 0.769 nan 8.190 nan 0.000 0.438 391 D N 4.028 124.409 120.400 -0.031 0.000 2.329 391 D HA 0.403 5.296 4.640 0.421 0.000 0.232 391 D C -0.019 176.144 176.300 -0.227 0.000 1.088 391 D CA -0.285 53.671 54.000 -0.074 0.000 0.835 391 D CB 1.280 42.001 40.800 -0.132 0.000 1.078 391 D HN 0.344 nan 8.370 nan 0.000 0.495 392 R N 2.639 123.118 120.500 -0.035 0.000 2.229 392 R HA 0.405 4.998 4.340 0.421 0.000 0.332 392 R C -0.383 176.077 176.300 0.266 0.000 0.989 392 R CA -0.369 55.729 56.100 -0.003 0.000 0.842 392 R CB 1.051 31.371 30.300 0.033 0.000 1.119 392 R HN 0.463 nan 8.270 nan 0.000 0.456 393 Y N -0.106 120.173 120.300 -0.034 0.000 2.659 393 Y HA 0.329 5.136 4.550 0.428 0.000 0.333 393 Y C 0.628 176.457 175.900 -0.118 0.000 1.064 393 Y CA -1.654 56.411 58.100 -0.060 0.000 1.141 393 Y CB 1.914 40.363 38.460 -0.019 0.000 1.316 393 Y HN 0.493 nan 8.280 nan 0.000 0.509 394 S N 0.263 115.918 115.700 -0.074 0.000 2.572 394 S HA 0.156 4.879 4.470 0.421 0.000 0.279 394 S C 0.108 174.565 174.600 -0.237 0.000 1.341 394 S CA -0.160 57.842 58.200 -0.331 0.000 1.043 394 S CB 0.090 62.821 63.200 -0.781 0.000 0.887 394 S HN 0.848 nan 8.310 nan 0.000 0.516 395 F N -2.082 117.885 119.950 0.028 0.000 2.563 395 F HA -0.327 4.452 4.527 0.420 0.000 0.667 395 F C 0.661 176.448 175.800 -0.022 0.000 0.490 395 F CA 1.096 59.103 58.000 0.010 0.000 0.776 395 F CB -1.444 37.572 39.000 0.026 0.000 1.646 395 F HN 0.675 nan 8.300 nan 0.000 0.262 396 V N -0.872 119.123 119.914 0.136 0.000 3.114 396 V HA 0.821 5.194 4.120 0.421 0.000 0.308 396 V C -0.408 175.519 176.094 -0.278 0.000 1.168 396 V CA -0.642 61.611 62.300 -0.078 0.000 1.015 396 V CB 2.166 33.915 31.823 -0.123 0.000 1.050 396 V HN 0.359 nan 8.190 nan 0.000 0.433 397 M N 1.520 120.884 119.600 -0.394 0.000 2.591 397 M HA 0.816 5.549 4.480 0.421 0.000 0.306 397 M C -1.488 174.471 176.300 -0.568 0.000 1.190 397 M CA -0.382 54.654 55.300 -0.439 0.000 0.889 397 M CB 2.356 34.836 32.600 -0.201 0.000 1.728 397 M HN 0.886 nan 8.290 nan 0.000 0.458 398 H N 1.070 120.028 119.070 -0.186 0.000 2.717 398 H HA 0.577 5.382 4.556 0.415 0.000 0.366 398 H C -1.480 173.782 175.328 -0.111 0.000 1.132 398 H CA -0.727 55.240 56.048 -0.135 0.000 1.180 398 H CB 2.335 32.013 29.762 -0.141 0.000 1.678 398 H HN 0.650 nan 8.280 nan 0.000 0.537 399 L N 3.829 125.066 121.223 0.023 0.000 2.260 399 L HA 0.485 5.078 4.340 0.421 0.000 0.289 399 L C -0.630 176.203 176.870 -0.061 0.000 1.057 399 L CA -0.759 54.040 54.840 -0.069 0.000 0.811 399 L CB 0.488 42.450 42.059 -0.162 0.000 1.184 399 L HN 0.537 nan 8.230 nan 0.000 0.429 400 V N 0.777 120.682 119.914 -0.015 0.000 2.925 400 V HA 0.681 5.054 4.120 0.421 0.000 0.311 400 V C -0.496 175.670 176.094 0.119 0.000 1.104 400 V CA -0.432 61.917 62.300 0.081 0.000 0.954 400 V CB 2.207 34.108 31.823 0.131 0.000 1.022 400 V HN 0.645 nan 8.190 nan 0.000 0.427 401 S N 2.509 118.337 115.700 0.213 0.000 2.568 401 S HA 0.758 5.481 4.470 0.421 0.000 0.302 401 S C -0.656 173.941 174.600 -0.005 0.000 1.082 401 S CA -0.825 57.457 58.200 0.137 0.000 1.009 401 S CB 1.758 65.097 63.200 0.231 0.000 1.069 401 S HN 0.985 nan 8.310 nan 0.000 0.500 402 R N 1.816 122.238 120.500 -0.130 0.000 2.388 402 R HA 0.580 5.173 4.340 0.421 0.000 0.314 402 R C -1.218 174.865 176.300 -0.363 0.000 0.959 402 R CA -0.503 55.364 56.100 -0.389 0.000 0.851 402 R CB 0.996 30.982 30.300 -0.524 0.000 1.168 402 R HN 0.509 nan 8.270 nan 0.000 0.472 403 V N 5.044 124.736 119.914 -0.369 0.000 2.435 403 V HA 0.756 5.129 4.120 0.421 0.000 0.290 403 V C -0.464 175.409 176.094 -0.369 0.000 1.030 403 V CA -0.348 61.748 62.300 -0.340 0.000 0.881 403 V CB 1.479 33.161 31.823 -0.235 0.000 0.983 403 V HN 0.557 nan 8.190 nan 0.000 0.445 404 V N 2.953 122.595 119.914 -0.453 0.000 3.126 404 V HA 1.151 5.523 4.120 0.421 0.000 0.314 404 V C 0.211 176.128 176.094 -0.295 0.000 1.138 404 V CA 0.082 62.166 62.300 -0.359 0.000 1.034 404 V CB 1.358 32.951 31.823 -0.383 0.000 1.075 404 V HN 1.660 nan 8.190 nan 0.000 0.442 405 G N -0.158 108.566 108.800 -0.126 0.000 2.559 405 G HA2 0.573 4.786 3.960 0.421 0.000 0.291 405 G HA3 0.573 4.786 3.960 0.421 0.000 0.291 405 G C -1.140 173.777 174.900 0.030 0.000 1.424 405 G CA -0.316 44.769 45.100 -0.025 0.000 0.786 405 G HN 0.892 nan 8.290 nan 0.000 0.485 406 T N 1.329 115.914 114.554 0.052 0.000 2.756 406 T HA 0.425 5.028 4.350 0.421 0.000 0.290 406 T C 0.077 174.799 174.700 0.036 0.000 0.985 406 T CA -0.308 61.833 62.100 0.068 0.000 0.955 406 T CB 1.290 70.200 68.868 0.070 0.000 0.930 406 T HN 0.416 nan 8.240 nan 0.000 0.451 407 L N 4.065 125.316 121.223 0.047 0.000 2.525 407 L HA 0.161 4.754 4.340 0.421 0.000 0.278 407 L C 1.026 177.893 176.870 -0.004 0.000 1.218 407 L CA 0.429 55.254 54.840 -0.024 0.000 0.878 407 L CB 0.066 42.073 42.059 -0.087 0.000 1.127 407 L HN 0.517 nan 8.230 nan 0.000 0.492 408 R N 2.782 123.262 120.500 -0.034 0.000 2.734 408 R HA 0.076 4.669 4.340 0.421 0.000 0.266 408 R C 1.170 177.469 176.300 -0.002 0.000 1.044 408 R CA 0.399 56.486 56.100 -0.021 0.000 1.128 408 R CB 0.555 30.828 30.300 -0.045 0.000 1.010 408 R HN 0.910 nan 8.270 nan 0.000 0.461 409 A N 2.403 125.229 122.820 0.010 0.000 1.933 409 A HA -0.186 4.387 4.320 0.421 0.000 0.218 409 A C 1.229 178.827 177.584 0.024 0.000 1.175 409 A CA 1.879 53.931 52.037 0.026 0.000 0.628 409 A CB -0.314 18.700 19.000 0.024 0.000 0.814 409 A HN 0.855 nan 8.150 nan 0.000 0.444 410 D N -0.785 119.618 120.400 0.004 0.000 2.338 410 D HA 0.175 5.068 4.640 0.421 0.000 0.239 410 D C 0.290 176.598 176.300 0.013 0.000 1.095 410 D CA 0.208 54.211 54.000 0.005 0.000 0.888 410 D CB -0.352 40.437 40.800 -0.020 0.000 0.899 410 D HN 0.422 nan 8.370 nan 0.000 0.525 411 L N 0.048 121.291 121.223 0.034 0.000 2.350 411 L HA 0.447 5.040 4.340 0.421 0.000 0.260 411 L C -0.580 176.371 176.870 0.136 0.000 1.015 411 L CA -1.259 53.681 54.840 0.165 0.000 0.821 411 L CB 2.102 44.146 42.059 -0.026 0.000 1.370 411 L HN -0.116 nan 8.230 nan 0.000 0.416 412 D N -0.762 119.727 120.400 0.149 0.000 2.654 412 D HA 0.242 5.134 4.640 0.421 0.000 0.255 412 D C 0.490 176.609 176.300 -0.302 0.000 1.101 412 D CA -0.728 53.188 54.000 -0.139 0.000 1.116 412 D CB 1.284 41.990 40.800 -0.156 0.000 1.348 412 D HN 0.137 nan 8.370 nan 0.000 0.609 413 V N -0.064 119.622 119.914 -0.379 0.000 2.392 413 V HA -0.187 4.185 4.120 0.421 0.000 0.249 413 V C 1.964 177.841 176.094 -0.362 0.000 1.059 413 V CA 1.638 63.690 62.300 -0.414 0.000 1.051 413 V CB -0.809 30.886 31.823 -0.212 0.000 0.658 413 V HN 0.552 nan 8.190 nan 0.000 0.455 414 L N -0.791 120.178 121.223 -0.423 0.000 2.131 414 L HA -0.149 4.443 4.340 0.421 0.000 0.210 414 L C 2.578 179.081 176.870 -0.611 0.000 1.092 414 L CA 1.507 56.024 54.840 -0.537 0.000 0.759 414 L CB -0.800 40.959 42.059 -0.500 0.000 0.903 414 L HN 0.453 nan 8.230 nan 0.000 0.435 415 H N -0.600 118.200 119.070 -0.450 0.000 2.428 415 H HA 0.033 4.841 4.556 0.420 0.000 0.296 415 H C 2.258 177.307 175.328 -0.464 0.000 1.062 415 H CA 1.174 56.948 56.048 -0.457 0.000 1.350 415 H CB -0.000 29.579 29.762 -0.305 0.000 1.403 415 H HN 0.315 nan 8.280 nan 0.000 0.533 416 A N 0.453 123.103 122.820 -0.283 0.000 1.930 416 A HA -0.193 4.380 4.320 0.421 0.000 0.217 416 A C 2.252 179.598 177.584 -0.396 0.000 1.175 416 A CA 1.142 52.991 52.037 -0.313 0.000 0.627 416 A CB -0.827 17.984 19.000 -0.315 0.000 0.815 416 A HN 0.420 nan 8.150 nan 0.000 0.443 417 Y N 0.235 120.220 120.300 -0.526 0.000 2.163 417 Y HA -0.222 4.581 4.550 0.423 0.000 0.288 417 Y C 2.595 178.082 175.900 -0.688 0.000 1.136 417 Y CA 2.273 60.003 58.100 -0.616 0.000 1.147 417 Y CB -0.367 37.588 38.460 -0.842 0.000 0.987 417 Y HN 0.469 nan 8.280 nan 0.000 0.509 418 Q N -0.105 119.207 119.800 -0.813 0.000 2.135 418 Q HA -0.214 4.378 4.340 0.421 0.000 0.204 418 Q C 2.125 177.719 176.000 -0.677 0.000 0.981 418 Q CA 1.629 56.864 55.803 -0.946 0.000 0.856 418 Q CB -0.307 27.716 28.738 -1.191 0.000 0.902 418 Q HN 0.583 nan 8.270 nan 0.000 0.425 419 A N -0.691 121.808 122.820 -0.534 0.000 2.016 419 A HA -0.057 4.516 4.320 0.421 0.000 0.217 419 A C 1.867 179.220 177.584 -0.385 0.000 1.162 419 A CA 0.827 52.630 52.037 -0.390 0.000 0.662 419 A CB -0.189 18.628 19.000 -0.306 0.000 0.812 419 A HN 0.564 nan 8.150 nan 0.000 0.450 420 C N 0.030 119.036 119.300 -0.490 0.000 2.754 420 C HA 0.342 5.054 4.460 0.421 0.000 0.276 420 C C 1.014 175.689 174.990 -0.525 0.000 1.264 420 C CA -0.648 58.102 59.018 -0.446 0.000 1.700 420 C CB -1.933 25.547 27.740 -0.434 0.000 1.885 420 C HN 0.547 nan 8.230 nan 0.000 0.607 421 M N 2.971 122.211 119.600 -0.600 0.000 2.504 421 M HA -0.046 4.686 4.480 0.421 0.000 0.378 421 M C -0.502 175.562 176.300 -0.393 0.000 1.706 421 M CA 1.283 56.250 55.300 -0.555 0.000 1.036 421 M CB -0.459 31.881 32.600 -0.433 0.000 2.129 421 M HN 0.480 nan 8.290 nan 0.000 0.474 422 N N 2.676 121.142 118.700 -0.390 0.000 2.400 422 N HA -0.101 4.892 4.740 0.421 0.000 0.278 422 N C -0.788 174.609 175.510 -0.188 0.000 1.405 422 N CA 0.374 53.249 53.050 -0.292 0.000 0.709 422 N CB -0.355 37.866 38.487 -0.443 0.000 0.896 422 N HN 0.595 nan 8.380 nan 0.000 0.495 423 M N 0.663 120.172 119.600 -0.152 0.000 2.248 423 M HA 0.043 4.776 4.480 0.421 0.000 0.343 423 M C 2.034 178.301 176.300 -0.055 0.000 1.243 423 M CA 1.034 56.269 55.300 -0.108 0.000 1.025 423 M CB -0.262 32.288 32.600 -0.083 0.000 1.759 423 M HN 0.667 nan 8.290 nan 0.000 0.452 424 G N 2.409 111.179 108.800 -0.050 0.000 2.475 424 G HA2 -0.232 3.981 3.960 0.421 0.000 0.220 424 G HA3 -0.232 3.981 3.960 0.421 0.000 0.220 424 G C 1.337 176.243 174.900 0.010 0.000 1.125 424 G CA 1.427 46.518 45.100 -0.015 0.000 0.755 424 G HN 0.757 nan 8.290 nan 0.000 0.565 425 T N 0.587 115.141 114.554 0.000 0.000 2.649 425 T HA -0.157 4.445 4.350 0.421 0.000 0.268 425 T C 1.568 176.286 174.700 0.029 0.000 1.036 425 T CA 1.143 63.253 62.100 0.016 0.000 1.157 425 T CB -0.126 68.743 68.868 0.002 0.000 0.861 425 T HN 0.091 nan 8.240 nan 0.000 0.445 426 L N 0.574 121.808 121.223 0.018 0.000 2.872 426 L HA 0.367 4.960 4.340 0.421 0.000 0.245 426 L C 1.503 178.431 176.870 0.096 0.000 1.211 426 L CA 0.133 54.990 54.840 0.027 0.000 1.013 426 L CB -0.220 41.772 42.059 -0.111 0.000 1.326 426 L HN 0.334 nan 8.230 nan 0.000 0.525 427 S N -2.514 113.244 115.700 0.096 0.000 3.627 427 S HA 0.834 5.556 4.470 0.421 0.000 0.190 427 S C 0.723 175.374 174.600 0.085 0.000 0.880 427 S CA 0.321 58.595 58.200 0.123 0.000 0.894 427 S CB 1.209 64.486 63.200 0.129 0.000 1.095 427 S HN 0.298 nan 8.310 nan 0.000 0.655 428 G N 0.481 109.320 108.800 0.065 0.000 2.356 428 G HA2 0.572 4.785 3.960 0.421 0.000 0.288 428 G HA3 0.572 4.785 3.960 0.421 0.000 0.288 428 G C -1.710 173.232 174.900 0.070 0.000 1.302 428 G CA -0.206 44.934 45.100 0.068 0.000 0.887 428 G HN 1.486 nan 8.290 nan 0.000 0.521 429 A N -0.122 122.764 122.820 0.109 0.000 2.459 429 A HA 0.891 5.464 4.320 0.421 0.000 0.296 429 A C -3.174 174.506 177.584 0.160 0.000 1.039 429 A CA -1.269 50.868 52.037 0.166 0.000 0.698 429 A CB 2.089 21.229 19.000 0.234 0.000 1.261 429 A HN 0.484 nan 8.150 nan 0.000 0.405 430 P HA 0.129 nan 4.420 nan 0.000 0.268 430 P C 0.764 178.071 177.300 0.013 0.000 1.204 430 P CA -0.101 63.029 63.100 0.050 0.000 0.768 430 P CB 0.874 32.568 31.700 -0.010 0.000 0.842 431 K N 2.195 122.602 120.400 0.013 0.000 2.015 431 K HA -0.185 4.388 4.320 0.421 0.000 0.216 431 K C 1.516 178.111 176.600 -0.008 0.000 1.052 431 K CA 1.920 58.205 56.287 -0.004 0.000 0.937 431 K CB -0.558 31.922 32.500 -0.034 0.000 0.719 431 K HN 0.138 nan 8.250 nan 0.000 0.446 432 V N 0.682 120.585 119.914 -0.019 0.000 2.295 432 V HA -0.222 4.151 4.120 0.421 0.000 0.246 432 V C 2.412 178.500 176.094 -0.009 0.000 1.049 432 V CA 2.022 64.313 62.300 -0.015 0.000 1.024 432 V CB -0.529 31.283 31.823 -0.019 0.000 0.648 432 V HN 0.332 nan 8.190 nan 0.000 0.447 433 R N 0.663 121.149 120.500 -0.023 0.000 2.105 433 R HA -0.117 4.476 4.340 0.421 0.000 0.239 433 R C 2.164 178.451 176.300 -0.023 0.000 1.135 433 R CA 1.742 57.822 56.100 -0.034 0.000 0.967 433 R CB -0.796 29.463 30.300 -0.067 0.000 0.861 433 R HN 0.499 nan 8.270 nan 0.000 0.442 434 A N 0.003 122.817 122.820 -0.011 0.000 1.873 434 A HA -0.146 4.426 4.320 0.421 0.000 0.215 434 A C 2.215 179.823 177.584 0.039 0.000 1.186 434 A CA 1.689 53.733 52.037 0.010 0.000 0.616 434 A CB -0.442 18.574 19.000 0.027 0.000 0.823 434 A HN 0.359 nan 8.150 nan 0.000 0.442 435 M N -0.868 118.766 119.600 0.058 0.000 2.159 435 M HA -0.216 4.517 4.480 0.421 0.000 0.263 435 M C 2.431 178.778 176.300 0.079 0.000 1.063 435 M CA 1.612 56.978 55.300 0.110 0.000 1.110 435 M CB -0.467 32.196 32.600 0.105 0.000 1.374 435 M HN 0.508 nan 8.290 nan 0.000 0.411 436 Q N 0.359 120.182 119.800 0.038 0.000 2.084 436 Q HA -0.130 4.463 4.340 0.421 0.000 0.202 436 Q C 2.078 178.086 176.000 0.013 0.000 0.978 436 Q CA 1.252 57.068 55.803 0.023 0.000 0.844 436 Q CB -0.243 28.497 28.738 0.004 0.000 0.898 436 Q HN 0.514 nan 8.270 nan 0.000 0.426 437 L N 0.155 121.380 121.223 0.003 0.000 2.046 437 L HA -0.200 4.393 4.340 0.421 0.000 0.208 437 L C 2.311 179.178 176.870 -0.004 0.000 1.077 437 L CA 0.948 55.783 54.840 -0.009 0.000 0.747 437 L CB -0.356 41.690 42.059 -0.021 0.000 0.896 437 L HN 0.245 nan 8.230 nan 0.000 0.432 438 I N -0.204 120.374 120.570 0.013 0.000 2.142 438 I HA -0.318 4.105 4.170 0.421 0.000 0.240 438 I C 2.827 178.944 176.117 0.000 0.000 1.078 438 I CA 1.315 62.620 61.300 0.009 0.000 1.343 438 I CB -0.451 37.569 38.000 0.034 0.000 1.046 438 I HN 0.207 nan 8.210 nan 0.000 0.405 439 A N 0.709 123.542 122.820 0.023 0.000 1.873 439 A HA -0.284 4.289 4.320 0.421 0.000 0.218 439 A C 2.506 180.090 177.584 0.000 0.000 1.193 439 A CA 2.327 54.376 52.037 0.019 0.000 0.629 439 A CB -1.130 17.899 19.000 0.048 0.000 0.826 439 A HN 0.476 nan 8.150 nan 0.000 0.447 440 A N -0.802 122.018 122.820 -0.001 0.000 1.972 440 A HA -0.037 4.536 4.320 0.421 0.000 0.219 440 A C 2.125 179.697 177.584 -0.019 0.000 1.169 440 A CA 1.619 53.650 52.037 -0.010 0.000 0.635 440 A CB -0.475 18.517 19.000 -0.012 0.000 0.810 440 A HN 0.538 nan 8.150 nan 0.000 0.446 441 L N 0.238 121.447 121.223 -0.023 0.000 2.005 441 L HA -0.083 4.509 4.340 0.421 0.000 0.207 441 L C 2.206 179.056 176.870 -0.033 0.000 1.072 441 L CA 2.512 57.333 54.840 -0.033 0.000 0.744 441 L CB -0.715 41.319 42.059 -0.041 0.000 0.895 441 L HN 0.602 nan 8.230 nan 0.000 0.433 442 R N -0.529 119.950 120.500 -0.035 0.000 2.393 442 R HA 0.084 4.677 4.340 0.421 0.000 0.244 442 R C 0.936 177.212 176.300 -0.041 0.000 0.920 442 R CA 0.673 56.748 56.100 -0.042 0.000 1.076 442 R CB -1.326 28.940 30.300 -0.057 0.000 1.119 442 R HN 0.304 nan 8.270 nan 0.000 0.524 443 S N 0.288 115.970 115.700 -0.031 0.000 3.365 443 S HA -0.192 4.531 4.470 0.421 0.000 0.377 443 S C -0.196 174.386 174.600 -0.029 0.000 1.043 443 S CA 1.460 59.645 58.200 -0.024 0.000 1.101 443 S CB -1.146 62.042 63.200 -0.020 0.000 0.900 443 S HN 0.791 nan 8.310 nan 0.000 0.480 444 T N 0.154 114.683 114.554 -0.041 0.000 2.916 444 T HA 0.550 5.152 4.350 0.421 0.000 0.298 444 T C -0.161 174.506 174.700 -0.056 0.000 1.031 444 T CA -0.803 61.268 62.100 -0.049 0.000 0.993 444 T CB 1.024 69.853 68.868 -0.065 0.000 1.045 444 T HN 0.480 nan 8.240 nan 0.000 0.454 445 R N 2.381 122.854 120.500 -0.046 0.000 2.758 445 R HA 0.189 4.782 4.340 0.421 0.000 0.263 445 R C 1.552 177.799 176.300 -0.088 0.000 1.010 445 R CA 0.190 56.266 56.100 -0.040 0.000 1.114 445 R CB 0.412 30.691 30.300 -0.035 0.000 0.985 445 R HN 0.613 nan 8.270 nan 0.000 0.439 446 R N 1.149 121.597 120.500 -0.087 0.000 2.210 446 R HA 0.050 4.643 4.340 0.421 0.000 0.203 446 R C 1.269 177.490 176.300 -0.131 0.000 1.010 446 R CA 0.637 56.656 56.100 -0.135 0.000 1.008 446 R CB 0.057 30.183 30.300 -0.289 0.000 0.923 446 R HN 0.988 nan 8.270 nan 0.000 0.469 447 G N 0.626 109.347 108.800 -0.132 0.000 2.556 447 G HA2 -0.422 3.791 3.960 0.421 0.000 0.283 447 G HA3 -0.422 3.791 3.960 0.421 0.000 0.283 447 G C 0.771 175.558 174.900 -0.189 0.000 1.177 447 G CA 0.552 45.492 45.100 -0.267 0.000 0.978 447 G HN 0.387 nan 8.290 nan 0.000 0.554 448 S N -0.778 114.728 115.700 -0.323 0.000 2.515 448 S HA 0.092 4.814 4.470 0.421 0.000 0.231 448 S C 1.078 175.674 174.600 -0.007 0.000 0.987 448 S CA 1.322 59.434 58.200 -0.146 0.000 0.936 448 S CB -0.069 63.047 63.200 -0.139 0.000 0.766 448 S HN 1.265 nan 8.310 nan 0.000 0.528 449 Y N 3.293 123.518 120.300 -0.126 0.000 2.605 449 Y HA 0.399 5.203 4.550 0.423 0.000 0.336 449 Y C 1.353 177.249 175.900 -0.006 0.000 1.111 449 Y CA 0.312 58.366 58.100 -0.076 0.000 1.422 449 Y CB -0.335 38.037 38.460 -0.147 0.000 1.193 449 Y HN 0.367 nan 8.280 nan 0.000 0.526 450 G N 3.461 111.883 108.800 -0.630 0.000 2.148 450 G HA2 -0.240 3.973 3.960 0.421 0.000 0.254 450 G HA3 -0.240 3.973 3.960 0.421 0.000 0.254 450 G C 0.504 175.437 174.900 0.055 0.000 0.981 450 G CA 0.185 45.083 45.100 -0.338 0.000 0.670 450 G HN 1.199 nan 8.290 nan 0.000 0.528 451 G N -0.980 107.855 108.800 0.059 0.000 2.606 451 G HA2 0.728 4.941 3.960 0.421 0.000 0.262 451 G HA3 0.728 4.941 3.960 0.421 0.000 0.262 451 G C -0.267 174.688 174.900 0.092 0.000 1.394 451 G CA -0.710 44.463 45.100 0.121 0.000 1.044 451 G HN 0.407 nan 8.290 nan 0.000 0.553 452 R N -2.014 118.584 120.500 0.163 0.000 2.750 452 R HA 0.680 5.272 4.340 0.421 0.000 0.281 452 R C -1.058 175.264 176.300 0.037 0.000 0.972 452 R CA -0.673 55.514 56.100 0.146 0.000 0.912 452 R CB 1.970 32.484 30.300 0.357 0.000 1.187 452 R HN 0.310 nan 8.270 nan 0.000 0.464 453 V N 1.756 121.606 119.914 -0.107 0.000 2.680 453 V HA 0.960 5.333 4.120 0.421 0.000 0.309 453 V C 0.317 176.386 176.094 -0.041 0.000 1.052 453 V CA 0.195 62.354 62.300 -0.236 0.000 0.908 453 V CB 1.808 33.177 31.823 -0.758 0.000 1.001 453 V HN 0.932 nan 8.190 nan 0.000 0.431 454 G N 3.270 112.099 108.800 0.048 0.000 2.452 454 G HA2 0.410 4.623 3.960 0.421 0.000 0.224 454 G HA3 0.410 4.623 3.960 0.421 0.000 0.224 454 G C -1.670 173.376 174.900 0.244 0.000 1.208 454 G CA 0.217 45.403 45.100 0.144 0.000 0.946 454 G HN 1.321 nan 8.290 nan 0.000 0.481 455 Y N -1.226 119.188 120.300 0.190 0.000 2.656 455 Y HA 0.843 5.647 4.550 0.423 0.000 0.334 455 Y C -1.174 174.855 175.900 0.216 0.000 1.179 455 Y CA -2.130 56.026 58.100 0.092 0.000 1.050 455 Y CB 1.152 39.624 38.460 0.021 0.000 1.308 455 Y HN 1.367 nan 8.280 nan 0.000 0.456 456 F N -0.940 119.042 119.950 0.053 0.000 2.668 456 F HA 0.929 5.709 4.527 0.422 0.000 0.309 456 F C -0.867 174.978 175.800 0.075 0.000 1.117 456 F CA -0.552 57.460 58.000 0.020 0.000 0.951 456 F CB 1.701 40.653 39.000 -0.080 0.000 1.323 456 F HN 0.889 nan 8.300 nan 0.000 0.451 457 T N -2.013 112.644 114.554 0.172 0.000 2.816 457 T HA 0.659 5.262 4.350 0.421 0.000 0.299 457 T C 0.429 175.186 174.700 0.096 0.000 1.230 457 T CA -0.310 61.827 62.100 0.062 0.000 1.007 457 T CB 1.372 70.302 68.868 0.102 0.000 1.289 457 T HN 1.369 nan 8.240 nan 0.000 0.508 458 A N 0.724 123.575 122.820 0.052 0.000 2.070 458 A HA 0.081 4.654 4.320 0.421 0.000 0.220 458 A C 2.204 179.832 177.584 0.075 0.000 1.159 458 A CA 1.857 53.931 52.037 0.061 0.000 0.656 458 A CB -1.267 17.758 19.000 0.041 0.000 0.800 458 A HN 1.597 nan 8.150 nan 0.000 0.453 459 V N -4.715 115.245 119.914 0.076 0.000 3.444 459 V HA 0.039 4.412 4.120 0.421 0.000 0.271 459 V C 1.110 177.256 176.094 0.087 0.000 1.188 459 V CA 1.025 63.365 62.300 0.067 0.000 1.168 459 V CB -0.941 30.913 31.823 0.052 0.000 0.810 459 V HN 0.585 nan 8.190 nan 0.000 0.500 460 R N -1.380 119.200 120.500 0.132 0.000 3.489 460 R HA -0.153 4.440 4.340 0.421 0.000 0.489 460 R C 0.235 176.706 176.300 0.283 0.000 0.770 460 R CA 1.012 57.240 56.100 0.213 0.000 1.404 460 R CB -2.599 27.843 30.300 0.237 0.000 2.091 460 R HN 0.738 nan 8.270 nan 0.000 0.456 461 N N 1.221 120.025 118.700 0.174 0.000 2.415 461 N HA 0.388 5.380 4.740 0.421 0.000 0.248 461 N C 0.063 175.727 175.510 0.257 0.000 1.271 461 N CA 0.568 53.713 53.050 0.158 0.000 0.913 461 N CB 0.753 39.321 38.487 0.135 0.000 1.129 461 N HN 0.162 nan 8.380 nan 0.000 0.444 462 L N 0.568 121.913 121.223 0.204 0.000 2.612 462 L HA 0.390 4.983 4.340 0.421 0.000 0.256 462 L C -2.086 174.757 176.870 -0.046 0.000 0.949 462 L CA -0.602 54.293 54.840 0.091 0.000 0.867 462 L CB 2.422 44.584 42.059 0.172 0.000 1.417 462 L HN 0.442 nan 8.230 nan 0.000 0.414 463 D N 1.507 121.730 120.400 -0.296 0.000 2.977 463 D HA 0.653 5.546 4.640 0.421 0.000 0.220 463 D C -1.410 174.823 176.300 -0.111 0.000 1.267 463 D CA 0.325 54.218 54.000 -0.179 0.000 0.884 463 D CB 2.391 43.077 40.800 -0.190 0.000 1.667 463 D HN 0.764 nan 8.370 nan 0.000 0.536 464 T N -0.646 113.939 114.554 0.052 0.000 2.816 464 T HA 0.752 5.355 4.350 0.421 0.000 0.299 464 T C -0.236 174.462 174.700 -0.004 0.000 1.230 464 T CA -0.732 61.418 62.100 0.084 0.000 1.007 464 T CB 1.052 70.014 68.868 0.156 0.000 1.289 464 T HN 0.692 nan 8.240 nan 0.000 0.508 465 C N 0.445 119.746 119.300 0.001 0.000 2.898 465 C HA 0.844 5.557 4.460 0.421 0.000 0.304 465 C C -0.102 174.876 174.990 -0.019 0.000 1.237 465 C CA -1.294 57.666 59.018 -0.096 0.000 1.529 465 C CB -0.291 27.434 27.740 -0.025 0.000 2.021 465 C HN 1.057 nan 8.230 nan 0.000 0.474 466 I N 1.835 122.391 120.570 -0.023 0.000 2.638 466 I HA 0.259 4.682 4.170 0.421 0.000 0.286 466 I C 0.112 176.252 176.117 0.040 0.000 1.088 466 I CA -0.154 61.145 61.300 -0.002 0.000 1.397 466 I CB 1.107 39.092 38.000 -0.026 0.000 1.414 466 I HN 0.540 nan 8.210 nan 0.000 0.566 467 V N 7.275 127.196 119.914 0.011 0.000 2.322 467 V HA 0.258 4.631 4.120 0.421 0.000 0.258 467 V C -0.013 176.104 176.094 0.039 0.000 1.074 467 V CA -0.011 62.336 62.300 0.078 0.000 0.909 467 V CB -0.547 31.288 31.823 0.021 0.000 1.090 467 V HN 0.480 nan 8.190 nan 0.000 0.486 468 I N 0.880 121.536 120.570 0.143 0.000 3.074 468 I HA 0.661 5.084 4.170 0.421 0.000 0.310 468 I C 0.189 176.441 176.117 0.226 0.000 1.153 468 I CA -1.640 59.746 61.300 0.144 0.000 0.993 468 I CB 1.430 39.487 38.000 0.095 0.000 1.237 468 I HN 0.372 nan 8.210 nan 0.000 0.443 469 R N 1.495 122.124 120.500 0.215 0.000 2.865 469 R HA -0.098 4.495 4.340 0.421 0.000 0.269 469 R C -0.990 175.425 176.300 0.192 0.000 0.915 469 R CA 0.970 57.179 56.100 0.182 0.000 0.715 469 R CB -1.127 29.270 30.300 0.162 0.000 1.735 469 R HN 1.233 nan 8.270 nan 0.000 0.506 470 S N 0.154 115.963 115.700 0.182 0.000 2.643 470 S HA 0.879 5.602 4.470 0.421 0.000 0.270 470 S C -1.218 173.386 174.600 0.007 0.000 1.166 470 S CA -0.573 57.708 58.200 0.136 0.000 0.815 470 S CB 2.305 65.672 63.200 0.279 0.000 1.139 470 S HN 0.821 nan 8.310 nan 0.000 0.472 471 A N 0.603 123.268 122.820 -0.259 0.000 2.449 471 A HA 0.770 5.343 4.320 0.421 0.000 0.302 471 A C -1.906 175.503 177.584 -0.292 0.000 1.048 471 A CA -0.607 51.216 52.037 -0.355 0.000 0.708 471 A CB 1.296 19.913 19.000 -0.637 0.000 1.274 471 A HN 1.333 nan 8.150 nan 0.000 0.410 472 Y N 2.399 122.581 120.300 -0.197 0.000 2.328 472 Y HA 0.571 5.374 4.550 0.421 0.000 0.333 472 Y C -1.112 174.765 175.900 -0.038 0.000 0.958 472 Y CA -0.722 57.313 58.100 -0.109 0.000 1.167 472 Y CB 1.613 40.016 38.460 -0.096 0.000 1.151 472 Y HN 0.483 nan 8.280 nan 0.000 0.470 473 V N 6.334 126.022 119.914 -0.377 0.000 2.398 473 V HA 0.430 4.803 4.120 0.421 0.000 0.286 473 V C -0.608 175.324 176.094 -0.270 0.000 1.026 473 V CA -0.775 61.407 62.300 -0.196 0.000 0.868 473 V CB 1.478 33.305 31.823 0.006 0.000 0.982 473 V HN 0.767 nan 8.190 nan 0.000 0.443 474 E N 2.771 122.897 120.200 -0.123 0.000 2.246 474 E HA 0.333 4.936 4.350 0.421 0.000 0.266 474 E C -1.197 175.393 176.600 -0.017 0.000 0.880 474 E CA -0.674 55.689 56.400 -0.062 0.000 0.762 474 E CB 1.262 30.959 29.700 -0.006 0.000 1.180 474 E HN 0.815 nan 8.360 nan 0.000 0.416 475 D N 3.267 123.650 120.400 -0.029 0.000 2.802 475 D HA -0.222 4.671 4.640 0.421 0.000 0.229 475 D C 0.842 177.081 176.300 -0.102 0.000 1.203 475 D CA 1.508 55.469 54.000 -0.065 0.000 0.712 475 D CB -1.349 39.391 40.800 -0.101 0.000 0.973 475 D HN 0.998 nan 8.370 nan 0.000 0.407 476 G N -0.115 108.678 108.800 -0.011 0.000 2.196 476 G HA2 -0.367 3.846 3.960 0.421 0.000 0.268 476 G HA3 -0.367 3.846 3.960 0.421 0.000 0.268 476 G C 0.101 175.116 174.900 0.192 0.000 0.975 476 G CA 0.719 45.847 45.100 0.046 0.000 0.648 476 G HN 0.690 nan 8.290 nan 0.000 0.538 477 H N 0.070 119.149 119.070 0.015 0.000 2.581 477 H HA 0.495 5.303 4.556 0.421 0.000 0.308 477 H C 0.675 176.017 175.328 0.022 0.000 1.040 477 H CA -0.837 55.223 56.048 0.020 0.000 1.231 477 H CB 0.903 30.679 29.762 0.024 0.000 1.396 477 H HN 0.436 nan 8.280 nan 0.000 0.467 478 R N 2.923 123.504 120.500 0.136 0.000 2.340 478 R HA 0.257 4.850 4.340 0.421 0.000 0.300 478 R C -0.880 175.458 176.300 0.063 0.000 1.069 478 R CA -0.110 56.043 56.100 0.087 0.000 0.984 478 R CB 0.446 30.812 30.300 0.111 0.000 1.003 478 R HN 0.497 nan 8.270 nan 0.000 0.459 479 T N 4.184 118.785 114.554 0.079 0.000 2.786 479 T HA 0.302 4.904 4.350 0.421 0.000 0.283 479 T C -0.871 173.857 174.700 0.046 0.000 0.992 479 T CA -0.508 61.633 62.100 0.067 0.000 0.954 479 T CB 1.568 70.502 68.868 0.110 0.000 0.934 479 T HN 0.358 nan 8.240 nan 0.000 0.440 480 V N 4.383 124.316 119.914 0.031 0.000 2.326 480 V HA 0.390 4.763 4.120 0.421 0.000 0.281 480 V C 0.072 176.167 176.094 0.002 0.000 1.015 480 V CA -0.808 61.520 62.300 0.047 0.000 0.823 480 V CB 1.206 33.074 31.823 0.075 0.000 1.009 480 V HN 0.801 nan 8.190 nan 0.000 0.436 481 Q N 3.104 122.836 119.800 -0.113 0.000 2.243 481 Q HA 0.761 5.354 4.340 0.421 0.000 0.252 481 Q C -0.414 175.342 176.000 -0.407 0.000 0.909 481 Q CA -0.213 55.337 55.803 -0.422 0.000 0.922 481 Q CB 1.665 29.947 28.738 -0.761 0.000 1.215 481 Q HN 0.937 nan 8.270 nan 0.000 0.427 482 A N 2.407 124.969 122.820 -0.430 0.000 2.520 482 A HA 0.846 5.418 4.320 0.421 0.000 0.298 482 A C -0.884 176.614 177.584 -0.143 0.000 1.051 482 A CA -0.066 51.892 52.037 -0.132 0.000 0.690 482 A CB 1.822 20.905 19.000 0.138 0.000 1.281 482 A HN 0.798 nan 8.150 nan 0.000 0.402 483 G N -0.607 108.239 108.800 0.077 0.000 2.733 483 G HA2 0.895 5.108 3.960 0.421 0.000 0.288 483 G HA3 0.895 5.108 3.960 0.421 0.000 0.288 483 G C -0.745 174.266 174.900 0.184 0.000 1.373 483 G CA -0.018 45.167 45.100 0.141 0.000 0.895 483 G HN 1.885 nan 8.290 nan 0.000 0.479 484 A N -0.928 122.034 122.820 0.238 0.000 2.435 484 A HA 0.781 5.354 4.320 0.421 0.000 0.304 484 A C 1.216 178.896 177.584 0.161 0.000 1.064 484 A CA 0.394 52.550 52.037 0.199 0.000 0.727 484 A CB 1.333 20.476 19.000 0.238 0.000 1.284 484 A HN 1.794 nan 8.150 nan 0.000 0.415 485 G N 0.272 109.148 108.800 0.126 0.000 2.812 485 G HA2 0.076 4.289 3.960 0.421 0.000 0.218 485 G HA3 0.076 4.289 3.960 0.421 0.000 0.218 485 G C 0.645 175.597 174.900 0.086 0.000 1.287 485 G CA 1.616 46.776 45.100 0.101 0.000 0.796 485 G HN 2.037 nan 8.290 nan 0.000 0.649 486 V N -0.932 119.028 119.914 0.077 0.000 3.418 486 V HA -0.065 4.308 4.120 0.421 0.000 0.479 486 V C 0.220 176.343 176.094 0.048 0.000 0.682 486 V CA 0.357 62.687 62.300 0.050 0.000 2.011 486 V CB -1.868 29.969 31.823 0.023 0.000 2.457 486 V HN 1.247 nan 8.190 nan 0.000 0.501 487 V N 1.982 121.924 119.914 0.045 0.000 3.105 487 V HA 0.608 4.981 4.120 0.421 0.000 0.311 487 V C 1.101 177.217 176.094 0.037 0.000 1.282 487 V CA -0.237 62.094 62.300 0.051 0.000 1.065 487 V CB 1.486 33.346 31.823 0.062 0.000 1.136 487 V HN 0.528 nan 8.190 nan 0.000 0.469 488 Q N 1.653 121.478 119.800 0.043 0.000 2.047 488 Q HA -0.235 4.357 4.340 0.421 0.000 0.211 488 Q C 1.428 177.441 176.000 0.022 0.000 1.005 488 Q CA 2.832 58.654 55.803 0.032 0.000 0.866 488 Q CB -0.442 28.320 28.738 0.040 0.000 0.938 488 Q HN 1.104 nan 8.270 nan 0.000 0.414 489 D N -1.132 119.284 120.400 0.026 0.000 2.395 489 D HA 0.083 4.976 4.640 0.421 0.000 0.226 489 D C -0.167 176.148 176.300 0.025 0.000 1.146 489 D CA -0.128 53.885 54.000 0.023 0.000 0.830 489 D CB -0.032 40.782 40.800 0.023 0.000 0.958 489 D HN -0.195 nan 8.370 nan 0.000 0.501 490 S N 0.272 115.988 115.700 0.026 0.000 2.573 490 S HA 0.185 4.908 4.470 0.421 0.000 0.277 490 S C 0.320 174.936 174.600 0.025 0.000 1.346 490 S CA -0.321 57.897 58.200 0.030 0.000 1.034 490 S CB 0.497 63.716 63.200 0.031 0.000 0.879 490 S HN 0.207 nan 8.310 nan 0.000 0.528 491 I N 4.634 125.224 120.570 0.034 0.000 2.328 491 I HA 0.258 4.681 4.170 0.421 0.000 0.287 491 I C -1.605 174.537 176.117 0.042 0.000 1.012 491 I CA -2.515 58.805 61.300 0.033 0.000 1.195 491 I CB 0.378 38.400 38.000 0.036 0.000 1.350 491 I HN 0.359 nan 8.210 nan 0.000 0.464 492 P HA -0.291 nan 4.420 nan 0.000 0.218 492 P C 1.534 178.889 177.300 0.091 0.000 1.132 492 P CA 1.581 64.699 63.100 0.030 0.000 0.968 492 P CB 0.423 32.129 31.700 0.009 0.000 0.783 493 E N -1.007 119.241 120.200 0.080 0.000 2.160 493 E HA -0.217 4.386 4.350 0.421 0.000 0.195 493 E C 1.991 178.649 176.600 0.097 0.000 0.991 493 E CA 1.357 57.814 56.400 0.094 0.000 0.810 493 E CB -0.502 29.236 29.700 0.064 0.000 0.742 493 E HN -0.014 nan 8.360 nan 0.000 0.466 494 R N 0.409 120.959 120.500 0.082 0.000 2.115 494 R HA -0.044 4.549 4.340 0.421 0.000 0.230 494 R C 1.968 178.331 176.300 0.106 0.000 1.111 494 R CA 0.945 57.092 56.100 0.077 0.000 0.976 494 R CB -0.298 30.039 30.300 0.061 0.000 0.870 494 R HN 0.325 nan 8.270 nan 0.000 0.445 495 E N 0.577 120.865 120.200 0.147 0.000 2.046 495 E HA -0.040 4.563 4.350 0.421 0.000 0.190 495 E C 1.976 178.757 176.600 0.302 0.000 0.982 495 E CA 1.141 57.678 56.400 0.229 0.000 0.800 495 E CB -0.204 29.644 29.700 0.247 0.000 0.756 495 E HN 0.210 nan 8.360 nan 0.000 0.449 496 A N 2.076 125.096 122.820 0.334 0.000 1.940 496 A HA -0.203 4.369 4.320 0.421 0.000 0.219 496 A C 1.787 179.400 177.584 0.049 0.000 1.176 496 A CA 1.814 53.970 52.037 0.198 0.000 0.631 496 A CB -0.354 18.806 19.000 0.267 0.000 0.814 496 A HN 0.088 nan 8.150 nan 0.000 0.446 497 D N -0.954 119.491 120.400 0.075 0.000 2.183 497 D HA -0.109 4.784 4.640 0.421 0.000 0.203 497 D C 1.849 178.162 176.300 0.023 0.000 0.969 497 D CA 1.330 55.352 54.000 0.036 0.000 0.842 497 D CB -0.236 40.588 40.800 0.040 0.000 0.957 497 D HN 0.779 nan 8.370 nan 0.000 0.484 498 E N 0.699 120.931 120.200 0.052 0.000 2.150 498 E HA -0.150 4.453 4.350 0.421 0.000 0.193 498 E C 1.949 178.574 176.600 0.040 0.000 0.985 498 E CA 1.603 58.035 56.400 0.053 0.000 0.814 498 E CB 0.112 29.863 29.700 0.084 0.000 0.752 498 E HN 0.276 nan 8.360 nan 0.000 0.466 499 T N -1.106 113.460 114.554 0.020 0.000 2.708 499 T HA -0.189 4.414 4.350 0.421 0.000 0.266 499 T C 2.057 176.793 174.700 0.059 0.000 1.037 499 T CA 1.179 63.297 62.100 0.029 0.000 1.146 499 T CB -0.416 68.367 68.868 -0.141 0.000 0.865 499 T HN 0.107 nan 8.240 nan 0.000 0.435 500 R N 1.309 121.790 120.500 -0.030 0.000 2.105 500 R HA -0.107 4.485 4.340 0.421 0.000 0.239 500 R C 2.284 178.449 176.300 -0.225 0.000 1.135 500 R CA 1.736 57.653 56.100 -0.306 0.000 0.967 500 R CB -0.352 29.802 30.300 -0.243 0.000 0.861 500 R HN 0.450 nan 8.270 nan 0.000 0.442 501 N N 0.554 119.200 118.700 -0.090 0.000 2.188 501 N HA -0.136 4.857 4.740 0.421 0.000 0.184 501 N C 1.364 176.855 175.510 -0.032 0.000 1.018 501 N CA 1.199 54.218 53.050 -0.052 0.000 0.858 501 N CB -0.047 38.435 38.487 -0.009 0.000 0.989 501 N HN 0.268 nan 8.380 nan 0.000 0.426 502 K N 0.564 120.962 120.400 -0.003 0.000 2.217 502 K HA 0.127 4.700 4.320 0.421 0.000 0.202 502 K C 1.825 178.438 176.600 0.022 0.000 1.051 502 K CA 0.758 57.068 56.287 0.038 0.000 0.952 502 K CB 0.107 32.658 32.500 0.084 0.000 0.736 502 K HN 0.099 nan 8.250 nan 0.000 0.453 503 A N 1.014 123.805 122.820 -0.048 0.000 2.021 503 A HA -0.060 4.513 4.320 0.421 0.000 0.216 503 A C 1.932 179.408 177.584 -0.180 0.000 1.163 503 A CA 0.570 52.548 52.037 -0.098 0.000 0.676 503 A CB -0.266 18.597 19.000 -0.229 0.000 0.818 503 A HN 0.185 nan 8.150 nan 0.000 0.453 504 R N 0.189 120.573 120.500 -0.193 0.000 2.113 504 R HA -0.239 4.354 4.340 0.421 0.000 0.244 504 R C 2.191 178.450 176.300 -0.068 0.000 1.142 504 R CA 1.972 57.981 56.100 -0.151 0.000 0.953 504 R CB -0.472 29.781 30.300 -0.078 0.000 0.860 504 R HN 0.421 nan 8.270 nan 0.000 0.438 505 A N 0.010 122.818 122.820 -0.022 0.000 1.883 505 A HA -0.126 4.447 4.320 0.421 0.000 0.217 505 A C 2.313 179.917 177.584 0.032 0.000 1.186 505 A CA 1.831 53.876 52.037 0.014 0.000 0.624 505 A CB -0.588 18.434 19.000 0.037 0.000 0.822 505 A HN 0.264 nan 8.150 nan 0.000 0.444 506 V N 0.026 119.965 119.914 0.040 0.000 2.453 506 V HA -0.197 4.175 4.120 0.421 0.000 0.247 506 V C 2.517 178.645 176.094 0.057 0.000 1.048 506 V CA 1.695 64.048 62.300 0.089 0.000 1.049 506 V CB -0.687 31.201 31.823 0.107 0.000 0.672 506 V HN 0.552 nan 8.190 nan 0.000 0.457 507 L N -0.673 120.515 121.223 -0.059 0.000 2.131 507 L HA -0.157 4.435 4.340 0.421 0.000 0.210 507 L C 2.758 179.641 176.870 0.021 0.000 1.092 507 L CA 1.471 56.222 54.840 -0.148 0.000 0.759 507 L CB -0.589 41.133 42.059 -0.561 0.000 0.903 507 L HN 0.226 nan 8.230 nan 0.000 0.435 508 R N -0.122 120.415 120.500 0.062 0.000 2.096 508 R HA -0.151 4.442 4.340 0.421 0.000 0.235 508 R C 2.433 178.787 176.300 0.091 0.000 1.127 508 R CA 1.314 57.493 56.100 0.131 0.000 0.968 508 R CB -0.369 29.974 30.300 0.072 0.000 0.861 508 R HN 0.371 nan 8.270 nan 0.000 0.440 509 A N 1.477 124.340 122.820 0.072 0.000 1.865 509 A HA -0.195 4.378 4.320 0.421 0.000 0.217 509 A C 2.056 179.682 177.584 0.069 0.000 1.191 509 A CA 1.826 53.894 52.037 0.053 0.000 0.623 509 A CB -0.467 18.587 19.000 0.090 0.000 0.826 509 A HN 0.322 nan 8.150 nan 0.000 0.444 510 I N -1.360 119.307 120.570 0.161 0.000 2.439 510 I HA 0.110 4.533 4.170 0.421 0.000 0.251 510 I C 2.403 178.688 176.117 0.279 0.000 1.139 510 I CA 0.944 62.401 61.300 0.262 0.000 1.438 510 I CB -1.162 37.037 38.000 0.333 0.000 1.085 510 I HN 0.161 nan 8.210 nan 0.000 0.427 511 A N 0.970 123.923 122.820 0.222 0.000 1.877 511 A HA -0.146 4.427 4.320 0.421 0.000 0.216 511 A C 2.400 180.041 177.584 0.095 0.000 1.186 511 A CA 2.518 54.686 52.037 0.219 0.000 0.620 511 A CB -1.433 17.746 19.000 0.299 0.000 0.822 511 A HN 0.468 nan 8.150 nan 0.000 0.443 512 T N 0.194 114.762 114.554 0.023 0.000 2.821 512 T HA 0.056 4.659 4.350 0.421 0.000 0.267 512 T C 2.184 176.738 174.700 -0.242 0.000 1.046 512 T CA 1.335 63.379 62.100 -0.094 0.000 1.139 512 T CB -0.387 68.436 68.868 -0.075 0.000 0.871 512 T HN 0.575 nan 8.240 nan 0.000 0.454 513 A N 1.197 123.881 122.820 -0.227 0.000 1.972 513 A HA -0.145 4.428 4.320 0.421 0.000 0.219 513 A C 1.754 179.043 177.584 -0.490 0.000 1.169 513 A CA 1.214 53.005 52.037 -0.409 0.000 0.635 513 A CB -0.512 18.156 19.000 -0.553 0.000 0.810 513 A HN 0.594 nan 8.150 nan 0.000 0.446 514 H N -1.907 117.156 119.070 -0.013 0.000 2.542 514 H HA 0.176 4.985 4.556 0.421 0.000 0.283 514 H C -0.388 175.090 175.328 0.250 0.000 1.059 514 H CA 0.345 56.484 56.048 0.152 0.000 1.162 514 H CB -0.122 29.712 29.762 0.120 0.000 1.539 514 H HN 0.768 nan 8.280 nan 0.000 0.543 515 H N -0.486 118.664 119.070 0.133 0.000 2.713 515 H HA -0.122 4.687 4.556 0.422 0.000 0.311 515 H C 0.650 176.030 175.328 0.086 0.000 1.175 515 H CA 0.346 56.448 56.048 0.089 0.000 1.143 515 H CB -1.841 27.962 29.762 0.070 0.000 1.434 515 H HN 0.540 nan 8.280 nan 0.000 0.418 516 A N 0.481 123.400 122.820 0.165 0.000 2.406 516 A HA 0.558 5.131 4.320 0.421 0.000 0.243 516 A C 1.632 179.248 177.584 0.054 0.000 1.082 516 A CA 0.359 52.469 52.037 0.121 0.000 0.786 516 A CB 0.269 19.348 19.000 0.133 0.000 1.029 516 A HN 0.630 nan 8.150 nan 0.000 0.495 517 K N 0.145 120.557 120.400 0.020 0.000 2.044 517 K HA 0.180 4.752 4.320 0.421 0.000 0.204 517 K C 1.896 178.436 176.600 -0.101 0.000 1.049 517 K CA 1.865 58.138 56.287 -0.024 0.000 0.945 517 K CB -1.491 30.999 32.500 -0.017 0.000 0.724 517 K HN 1.176 nan 8.250 nan 0.000 0.440 518 E N 0.882 120.991 120.200 -0.152 0.000 2.533 518 E HA 0.309 4.911 4.350 0.421 0.000 0.201 518 E C 0.824 176.991 176.600 -0.723 0.000 1.097 518 E CA 0.426 56.608 56.400 -0.364 0.000 0.887 518 E CB -1.494 28.013 29.700 -0.321 0.000 0.855 518 E HN 0.435 nan 8.360 nan 0.000 0.540 519 V N 0.435 120.107 119.914 -0.404 0.000 3.014 519 V HA -0.024 4.348 4.120 0.421 0.000 0.277 519 V C 0.474 176.247 176.094 -0.534 0.000 1.455 519 V CA 0.980 63.095 62.300 -0.308 0.000 1.467 519 V CB -0.548 31.226 31.823 -0.083 0.000 0.913 519 V HN 0.494 nan 8.190 nan 0.000 0.529 520 F N 0.000 119.930 119.950 -0.034 0.000 2.286 520 F HA 0.000 4.780 4.527 0.422 0.000 0.279 520 F CA 0.000 57.970 58.000 -0.050 0.000 1.383 520 F CB 0.000 38.956 39.000 -0.073 0.000 1.145 520 F HN 0.000 nan 8.300 nan 0.000 0.574