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 2egy_1_A DATA FIRST_RESID 5 DATA SEQUENCE SWSEAFGKGA GRIQASTIRE LLKLTQRPGI LSFAGGLPAP ELFPKEEAAE DATA SEQUENCE AAARILREKG EVALQYSPTE GYAPLRAFVA EWIGVRPEEV LITTGSQQAL DATA SEQUENCE DLVGKVFLDE GSPVLLEAPS YMGAIQAFRL QGPRFLTVPA GEEGPDLDAL DATA SEQUENCE EEVLKRERPR FLYLIPSFQN PTGGLTPLPA RKRLLQMVME RGLVVVEDDA DATA SEQUENCE YRELYFGEAR LPSLFELARE AGYPGVIYLG SFSKVLSPGL RVAFAVAHPE DATA SEQUENCE ALQKLVQAKQ GADLHTPMLN QMLVHELLKE GFSERLERVR RVYREKAQAM DATA SEQUENCE LHALDREVPK EVRYTRPKGG MFVWMELPKG LSAEGLFRRA LEENVAFVPG DATA SEQUENCE GPFFANGGGE NTLRLSYATL DREGIAEGVR RLGRALKGLL AL 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.460 174.600 -0.233 0.000 1.055 5 S CA 0.000 58.088 58.200 -0.187 0.000 1.107 5 S CB 0.000 63.032 63.200 -0.279 0.000 0.593 6 W N 2.918 124.107 121.300 -0.186 0.000 2.381 6 W HA -0.074 4.533 4.660 -0.088 0.000 0.321 6 W C 2.828 179.015 176.519 -0.554 0.000 1.196 6 W CA 1.742 58.853 57.345 -0.390 0.000 1.304 6 W CB -0.434 28.887 29.460 -0.231 0.000 1.166 6 W HN 0.521 nan 8.180 nan 0.000 0.473 7 S N 0.005 115.778 115.700 0.122 0.000 2.400 7 S HA -0.274 4.143 4.470 -0.089 0.000 0.232 7 S C 1.347 176.018 174.600 0.118 0.000 1.025 7 S CA 1.683 60.022 58.200 0.231 0.000 0.993 7 S CB -0.538 62.798 63.200 0.227 0.000 0.808 7 S HN 0.255 nan 8.310 nan 0.000 0.478 8 E N 1.054 121.268 120.200 0.023 0.000 2.359 8 E HA 0.448 4.744 4.350 -0.089 0.000 0.187 8 E C 0.958 177.531 176.600 -0.044 0.000 1.081 8 E CA 0.389 56.791 56.400 0.003 0.000 0.929 8 E CB -0.295 29.395 29.700 -0.016 0.000 1.086 8 E HN 0.614 nan 8.360 nan 0.000 0.462 9 A N -0.779 121.980 122.820 -0.101 0.000 2.263 9 A HA 0.273 4.540 4.320 -0.089 0.000 0.200 9 A C 0.345 177.902 177.584 -0.045 0.000 1.428 9 A CA -0.385 51.577 52.037 -0.126 0.000 1.050 9 A CB 0.007 18.873 19.000 -0.223 0.000 1.226 9 A HN 0.165 nan 8.150 nan 0.000 0.501 10 F N 0.738 120.770 119.950 0.138 0.000 2.050 10 F HA 0.474 4.948 4.527 -0.089 0.000 0.254 10 F C 1.496 177.335 175.800 0.066 0.000 1.096 10 F CA 0.587 58.649 58.000 0.104 0.000 1.215 10 F CB -0.404 38.646 39.000 0.082 0.000 1.757 10 F HN 0.199 nan 8.300 nan 0.000 0.510 11 G N -1.196 107.786 108.800 0.302 0.000 2.725 11 G HA2 0.365 4.271 3.960 -0.089 0.000 0.288 11 G HA3 0.365 4.271 3.960 -0.089 0.000 0.288 11 G C -0.123 174.840 174.900 0.105 0.000 1.399 11 G CA -0.756 44.438 45.100 0.156 0.000 0.859 11 G HN 0.359 nan 8.290 nan 0.000 0.479 12 K N -0.355 120.087 120.400 0.070 0.000 2.089 12 K HA -0.149 4.117 4.320 -0.089 0.000 0.210 12 K C 2.530 179.147 176.600 0.028 0.000 1.048 12 K CA 1.767 58.082 56.287 0.046 0.000 0.926 12 K CB -0.278 32.243 32.500 0.035 0.000 0.714 12 K HN 0.518 nan 8.250 nan 0.000 0.448 13 G N 0.903 109.718 108.800 0.025 0.000 2.462 13 G HA2 -0.268 3.638 3.960 -0.089 0.000 0.220 13 G HA3 -0.268 3.638 3.960 -0.089 0.000 0.220 13 G C 1.523 176.402 174.900 -0.034 0.000 1.121 13 G CA 0.955 46.058 45.100 0.004 0.000 0.758 13 G HN 0.385 nan 8.290 nan 0.000 0.559 14 A N 0.451 123.241 122.820 -0.050 0.000 2.067 14 A HA 0.271 4.537 4.320 -0.089 0.000 0.219 14 A C 2.534 180.033 177.584 -0.142 0.000 1.158 14 A CA 1.752 53.687 52.037 -0.171 0.000 0.661 14 A CB -0.449 18.384 19.000 -0.279 0.000 0.801 14 A HN 0.462 nan 8.150 nan 0.000 0.452 15 G N -0.888 107.878 108.800 -0.056 0.000 2.683 15 G HA2 0.007 3.913 3.960 -0.089 0.000 0.213 15 G HA3 0.007 3.913 3.960 -0.089 0.000 0.213 15 G C 1.191 176.075 174.900 -0.027 0.000 1.142 15 G CA -0.165 44.915 45.100 -0.034 0.000 0.793 15 G HN 0.465 nan 8.290 nan 0.000 0.534 16 R N 0.773 121.261 120.500 -0.021 0.000 2.721 16 R HA 0.290 4.576 4.340 -0.089 0.000 0.296 16 R C 0.679 176.965 176.300 -0.025 0.000 1.174 16 R CA 0.109 56.208 56.100 -0.000 0.000 1.129 16 R CB -0.356 29.958 30.300 0.025 0.000 1.316 16 R HN 0.657 nan 8.270 nan 0.000 0.571 17 I N -4.025 116.509 120.570 -0.060 0.000 4.665 17 I HA 0.100 4.216 4.170 -0.089 0.000 0.360 17 I C -0.424 175.634 176.117 -0.098 0.000 1.259 17 I CA -0.586 60.664 61.300 -0.083 0.000 1.301 17 I CB 0.239 38.179 38.000 -0.100 0.000 1.746 17 I HN -0.151 nan 8.210 nan 0.000 0.598 18 Q N 3.575 123.322 119.800 -0.089 0.000 2.457 18 Q HA 0.199 4.485 4.340 -0.089 0.000 0.285 18 Q C 0.630 176.577 176.000 -0.087 0.000 1.275 18 Q CA 0.268 56.019 55.803 -0.087 0.000 0.992 18 Q CB 0.091 28.791 28.738 -0.065 0.000 1.334 18 Q HN 0.565 nan 8.270 nan 0.000 0.460 19 A N 2.459 125.222 122.820 -0.094 0.000 2.655 19 A HA 0.378 4.645 4.320 -0.089 0.000 0.297 19 A C 1.046 178.581 177.584 -0.082 0.000 1.461 19 A CA 0.402 52.382 52.037 -0.094 0.000 1.146 19 A CB -0.297 18.648 19.000 -0.093 0.000 1.108 19 A HN 0.851 nan 8.150 nan 0.000 0.550 20 S N 2.198 117.847 115.700 -0.084 0.000 2.407 20 S HA 0.458 4.875 4.470 -0.089 0.000 0.160 20 S C 1.560 176.112 174.600 -0.079 0.000 1.066 20 S CA 1.008 59.164 58.200 -0.073 0.000 1.501 20 S CB -0.946 62.213 63.200 -0.069 0.000 0.675 20 S HN 1.303 nan 8.310 nan 0.000 0.421 21 T N 0.782 115.279 114.554 -0.096 0.000 4.282 21 T HA 0.520 4.817 4.350 -0.089 0.000 0.231 21 T C 0.497 175.131 174.700 -0.110 0.000 1.004 21 T CA 0.615 62.649 62.100 -0.110 0.000 1.146 21 T CB -0.633 68.156 68.868 -0.133 0.000 1.285 21 T HN 0.583 nan 8.240 nan 0.000 0.971 22 I N -0.203 120.318 120.570 -0.081 0.000 5.154 22 I HA 0.280 4.396 4.170 -0.089 0.000 0.321 22 I C 1.448 177.541 176.117 -0.041 0.000 1.120 22 I CA 0.812 62.072 61.300 -0.067 0.000 1.524 22 I CB 0.415 38.359 38.000 -0.093 0.000 1.880 22 I HN 0.231 nan 8.210 nan 0.000 0.588 23 R N 1.009 121.483 120.500 -0.044 0.000 2.727 23 R HA 0.708 4.995 4.340 -0.089 0.000 0.410 23 R C 0.375 176.659 176.300 -0.026 0.000 1.101 23 R CA 0.515 56.597 56.100 -0.031 0.000 1.045 23 R CB -0.940 29.336 30.300 -0.039 0.000 1.380 23 R HN 0.560 nan 8.270 nan 0.000 0.587 24 E N -1.072 119.115 120.200 -0.022 0.000 3.823 24 E HA 0.135 4.431 4.350 -0.089 0.000 0.225 24 E C 1.297 177.900 176.600 0.005 0.000 1.257 24 E CA 0.257 56.649 56.400 -0.013 0.000 1.684 24 E CB 0.261 29.948 29.700 -0.022 0.000 1.550 24 E HN 0.205 nan 8.360 nan 0.000 0.709 25 L N 1.888 123.109 121.223 -0.004 0.000 2.554 25 L HA 0.178 4.465 4.340 -0.089 0.000 0.226 25 L C 1.512 178.419 176.870 0.061 0.000 1.137 25 L CA 0.262 55.119 54.840 0.027 0.000 0.863 25 L CB 0.347 42.377 42.059 -0.048 0.000 0.985 25 L HN 0.076 nan 8.230 nan 0.000 0.451 26 L N 0.515 121.758 121.223 0.033 0.000 2.599 26 L HA 0.091 4.377 4.340 -0.089 0.000 0.230 26 L C 2.262 179.167 176.870 0.058 0.000 1.141 26 L CA 1.403 56.275 54.840 0.052 0.000 0.877 26 L CB -0.678 41.400 42.059 0.033 0.000 1.009 26 L HN 0.223 nan 8.230 nan 0.000 0.447 27 K N -0.827 119.604 120.400 0.051 0.000 2.356 27 K HA 0.199 4.466 4.320 -0.089 0.000 0.195 27 K C 1.605 178.230 176.600 0.041 0.000 1.037 27 K CA 1.000 57.310 56.287 0.038 0.000 1.014 27 K CB -0.682 31.834 32.500 0.025 0.000 0.815 27 K HN 0.478 nan 8.250 nan 0.000 0.507 28 L N 0.366 121.628 121.223 0.065 0.000 2.341 28 L HA 0.129 4.416 4.340 -0.089 0.000 0.214 28 L C 2.447 179.334 176.870 0.029 0.000 1.115 28 L CA 1.236 56.102 54.840 0.042 0.000 0.820 28 L CB 0.042 42.138 42.059 0.061 0.000 0.944 28 L HN 0.459 nan 8.230 nan 0.000 0.452 29 T N -1.805 112.797 114.554 0.079 0.000 3.256 29 T HA 0.214 4.511 4.350 -0.089 0.000 0.237 29 T C 1.179 175.906 174.700 0.044 0.000 0.908 29 T CA 0.004 62.146 62.100 0.070 0.000 0.966 29 T CB 0.097 69.050 68.868 0.142 0.000 1.134 29 T HN 0.005 nan 8.240 nan 0.000 0.573 30 Q N -0.213 119.601 119.800 0.023 0.000 2.427 30 Q HA 0.122 4.408 4.340 -0.089 0.000 0.249 30 Q C 1.075 177.077 176.000 0.004 0.000 0.783 30 Q CA 0.032 55.845 55.803 0.017 0.000 0.978 30 Q CB 0.394 29.145 28.738 0.022 0.000 1.273 30 Q HN 0.776 nan 8.270 nan 0.000 0.524 31 R N 1.916 122.415 120.500 -0.002 0.000 2.840 31 R HA 0.073 4.360 4.340 -0.089 0.000 0.272 31 R C -1.131 175.163 176.300 -0.011 0.000 0.975 31 R CA 0.929 57.024 56.100 -0.008 0.000 1.132 31 R CB -2.195 28.096 30.300 -0.015 0.000 1.024 31 R HN 0.059 nan 8.270 nan 0.000 0.455 32 P HA -0.281 nan 4.420 nan 0.000 0.255 32 P C 0.630 177.922 177.300 -0.014 0.000 0.776 32 P CA 2.524 65.617 63.100 -0.011 0.000 1.093 32 P CB -0.875 30.817 31.700 -0.013 0.000 0.807 33 G N -1.152 107.638 108.800 -0.017 0.000 3.378 33 G HA2 0.551 4.458 3.960 -0.089 0.000 0.332 33 G HA3 0.551 4.458 3.960 -0.089 0.000 0.332 33 G C -0.644 174.241 174.900 -0.024 0.000 1.490 33 G CA 0.232 45.320 45.100 -0.020 0.000 1.068 33 G HN 0.740 nan 8.290 nan 0.000 0.492 34 I N 2.761 123.313 120.570 -0.029 0.000 2.468 34 I HA 0.453 4.569 4.170 -0.089 0.000 0.284 34 I C -0.699 175.388 176.117 -0.051 0.000 1.038 34 I CA -1.038 60.242 61.300 -0.033 0.000 1.083 34 I CB 1.323 39.303 38.000 -0.032 0.000 1.223 34 I HN 0.094 nan 8.210 nan 0.000 0.443 35 L N 6.379 127.556 121.223 -0.076 0.000 2.499 35 L HA 0.145 4.432 4.340 -0.089 0.000 0.273 35 L C 0.493 177.243 176.870 -0.200 0.000 1.195 35 L CA 0.512 55.254 54.840 -0.164 0.000 0.882 35 L CB 0.893 42.825 42.059 -0.212 0.000 1.133 35 L HN 0.588 nan 8.230 nan 0.000 0.483 36 S N 2.350 117.918 115.700 -0.221 0.000 2.454 36 S HA 0.507 4.924 4.470 -0.089 0.000 0.306 36 S C 0.160 174.656 174.600 -0.174 0.000 1.100 36 S CA -0.547 57.586 58.200 -0.111 0.000 1.087 36 S CB 0.594 63.799 63.200 0.008 0.000 1.019 36 S HN 0.444 nan 8.310 nan 0.000 0.480 37 F N 2.420 122.486 119.950 0.194 0.000 2.682 37 F HA 0.424 4.898 4.527 -0.090 0.000 0.308 37 F C 1.272 177.219 175.800 0.246 0.000 1.093 37 F CA -0.276 57.852 58.000 0.213 0.000 1.244 37 F CB 0.374 39.514 39.000 0.233 0.000 1.052 37 F HN 0.641 nan 8.300 nan 0.000 0.573 38 A N 0.148 123.187 122.820 0.365 0.000 2.249 38 A HA 0.609 4.875 4.320 -0.089 0.000 0.281 38 A C 0.862 178.612 177.584 0.277 0.000 1.127 38 A CA 0.131 52.356 52.037 0.313 0.000 0.833 38 A CB -0.637 18.501 19.000 0.231 0.000 1.140 38 A HN 0.498 nan 8.150 nan 0.000 0.502 39 G N -1.570 107.390 108.800 0.267 0.000 3.276 39 G HA2 0.244 4.151 3.960 -0.089 0.000 0.540 39 G HA3 0.244 4.151 3.960 -0.089 0.000 0.540 39 G C 0.483 175.574 174.900 0.319 0.000 0.717 39 G CA 0.142 45.396 45.100 0.256 0.000 1.000 39 G HN 1.896 nan 8.290 nan 0.000 0.509 40 G N 1.433 110.473 108.800 0.400 0.000 3.343 40 G HA2 0.534 4.441 3.960 -0.089 0.000 0.279 40 G HA3 0.534 4.441 3.960 -0.089 0.000 0.279 40 G C 0.230 175.301 174.900 0.286 0.000 0.919 40 G CA -0.498 44.883 45.100 0.470 0.000 1.812 40 G HN 0.663 nan 8.290 nan 0.000 0.584 41 L N 2.116 123.462 121.223 0.206 0.000 2.312 41 L HA 0.442 4.729 4.340 -0.089 0.000 0.281 41 L C -1.887 175.087 176.870 0.174 0.000 1.070 41 L CA -1.837 53.116 54.840 0.188 0.000 0.805 41 L CB 1.754 43.912 42.059 0.165 0.000 1.174 41 L HN 0.161 nan 8.230 nan 0.000 0.434 42 P HA 0.213 nan 4.420 nan 0.000 0.274 42 P C -1.161 176.206 177.300 0.112 0.000 1.246 42 P CA -0.585 62.666 63.100 0.252 0.000 0.795 42 P CB 0.547 32.450 31.700 0.338 0.000 1.006 43 A N 3.261 126.114 122.820 0.055 0.000 2.491 43 A HA 0.233 4.500 4.320 -0.089 0.000 0.261 43 A C -1.504 175.705 177.584 -0.625 0.000 1.101 43 A CA -0.619 51.282 52.037 -0.226 0.000 0.772 43 A CB -0.810 17.982 19.000 -0.346 0.000 1.043 43 A HN 0.411 nan 8.150 nan 0.000 0.501 44 P HA -0.140 nan 4.420 nan 0.000 0.221 44 P C 1.077 177.958 177.300 -0.698 0.000 1.150 44 P CA 1.325 63.834 63.100 -0.986 0.000 0.800 44 P CB 0.140 31.703 31.700 -0.227 0.000 0.787 45 E N -0.229 119.729 120.200 -0.403 0.000 2.267 45 E HA -0.129 4.168 4.350 -0.089 0.000 0.197 45 E C 1.311 177.792 176.600 -0.197 0.000 0.998 45 E CA 0.867 57.129 56.400 -0.229 0.000 0.830 45 E CB -0.839 28.751 29.700 -0.184 0.000 0.751 45 E HN 0.193 nan 8.360 nan 0.000 0.491 46 L N 0.447 121.495 121.223 -0.290 0.000 2.418 46 L HA 0.105 4.391 4.340 -0.089 0.000 0.218 46 L C 0.487 177.404 176.870 0.078 0.000 1.125 46 L CA 0.473 55.254 54.840 -0.098 0.000 0.835 46 L CB -0.928 41.108 42.059 -0.039 0.000 0.953 46 L HN 0.036 nan 8.230 nan 0.000 0.454 47 F N 3.099 123.072 119.950 0.039 0.000 2.557 47 F HA 0.132 4.632 4.527 -0.044 0.000 0.384 47 F C -1.169 174.642 175.800 0.018 0.000 1.057 47 F CA -3.128 54.893 58.000 0.035 0.000 1.169 47 F CB -0.779 38.240 39.000 0.032 0.000 1.070 47 F HN 0.030 nan 8.300 nan 0.000 0.554 48 P HA 0.024 nan 4.420 nan 0.000 0.249 48 P C 0.718 178.059 177.300 0.067 0.000 1.737 48 P CA -0.030 63.129 63.100 0.098 0.000 1.128 48 P CB 0.407 32.145 31.700 0.063 0.000 1.942 49 K N 2.238 122.684 120.400 0.077 0.000 1.969 49 K HA -0.233 4.034 4.320 -0.089 0.000 0.216 49 K C 1.854 178.465 176.600 0.018 0.000 1.048 49 K CA 1.768 58.084 56.287 0.049 0.000 0.948 49 K CB -0.079 32.454 32.500 0.055 0.000 0.726 49 K HN 0.076 nan 8.250 nan 0.000 0.442 50 E N 0.794 121.003 120.200 0.015 0.000 2.150 50 E HA -0.151 4.145 4.350 -0.089 0.000 0.193 50 E C 1.601 178.197 176.600 -0.007 0.000 0.985 50 E CA 1.487 57.888 56.400 0.003 0.000 0.814 50 E CB 0.096 29.798 29.700 0.003 0.000 0.752 50 E HN 0.364 nan 8.360 nan 0.000 0.466 51 E N -0.544 119.653 120.200 -0.006 0.000 2.150 51 E HA -0.115 4.181 4.350 -0.089 0.000 0.193 51 E C 1.886 178.467 176.600 -0.033 0.000 0.985 51 E CA 0.813 57.202 56.400 -0.019 0.000 0.814 51 E CB -0.079 29.610 29.700 -0.018 0.000 0.752 51 E HN 0.364 nan 8.360 nan 0.000 0.466 52 A N 1.296 124.098 122.820 -0.030 0.000 1.930 52 A HA 0.040 4.306 4.320 -0.089 0.000 0.215 52 A C 2.349 179.908 177.584 -0.043 0.000 1.176 52 A CA 1.234 53.243 52.037 -0.046 0.000 0.632 52 A CB -0.367 18.605 19.000 -0.046 0.000 0.819 52 A HN 0.263 nan 8.150 nan 0.000 0.445 53 A N -0.399 122.403 122.820 -0.030 0.000 2.019 53 A HA -0.154 4.113 4.320 -0.089 0.000 0.219 53 A C 2.051 179.618 177.584 -0.030 0.000 1.164 53 A CA 1.777 53.797 52.037 -0.028 0.000 0.644 53 A CB -0.324 18.666 19.000 -0.018 0.000 0.805 53 A HN 0.553 nan 8.150 nan 0.000 0.449 54 E N 0.328 120.510 120.200 -0.030 0.000 2.060 54 E HA -0.024 4.273 4.350 -0.089 0.000 0.189 54 E C 2.184 178.761 176.600 -0.038 0.000 0.974 54 E CA 1.091 57.473 56.400 -0.030 0.000 0.808 54 E CB -0.325 29.359 29.700 -0.026 0.000 0.768 54 E HN 0.412 nan 8.360 nan 0.000 0.453 55 A N 1.701 124.492 122.820 -0.049 0.000 1.877 55 A HA -0.057 4.210 4.320 -0.089 0.000 0.216 55 A C 2.474 180.021 177.584 -0.063 0.000 1.186 55 A CA 2.261 54.261 52.037 -0.061 0.000 0.620 55 A CB -0.859 18.092 19.000 -0.081 0.000 0.822 55 A HN 0.373 nan 8.150 nan 0.000 0.443 56 A N 0.026 122.808 122.820 -0.063 0.000 1.851 56 A HA 0.102 4.368 4.320 -0.089 0.000 0.216 56 A C 2.576 180.129 177.584 -0.051 0.000 1.195 56 A CA 2.566 54.564 52.037 -0.064 0.000 0.622 56 A CB -1.364 17.600 19.000 -0.060 0.000 0.831 56 A HN 1.246 nan 8.150 nan 0.000 0.444 57 A N -0.365 122.430 122.820 -0.041 0.000 1.958 57 A HA -0.279 3.988 4.320 -0.089 0.000 0.221 57 A C 2.261 179.826 177.584 -0.033 0.000 1.178 57 A CA 2.331 54.348 52.037 -0.034 0.000 0.642 57 A CB -0.536 18.448 19.000 -0.027 0.000 0.816 57 A HN 0.621 nan 8.150 nan 0.000 0.453 58 R N -0.423 120.056 120.500 -0.034 0.000 2.090 58 R HA 0.028 4.315 4.340 -0.089 0.000 0.228 58 R C 1.885 178.164 176.300 -0.034 0.000 1.110 58 R CA 1.372 57.453 56.100 -0.030 0.000 0.973 58 R CB -0.362 29.921 30.300 -0.029 0.000 0.869 58 R HN 0.551 nan 8.270 nan 0.000 0.440 59 I N 0.709 121.251 120.570 -0.047 0.000 2.252 59 I HA -0.262 3.854 4.170 -0.089 0.000 0.245 59 I C 1.816 177.904 176.117 -0.050 0.000 1.102 59 I CA 0.730 61.996 61.300 -0.058 0.000 1.385 59 I CB -0.214 37.731 38.000 -0.091 0.000 1.064 59 I HN 0.206 nan 8.210 nan 0.000 0.414 60 L N 0.515 121.710 121.223 -0.047 0.000 2.083 60 L HA -0.160 4.126 4.340 -0.089 0.000 0.209 60 L C 2.636 179.488 176.870 -0.029 0.000 1.083 60 L CA 1.794 56.610 54.840 -0.039 0.000 0.752 60 L CB -1.301 40.736 42.059 -0.037 0.000 0.899 60 L HN 0.279 nan 8.230 nan 0.000 0.433 61 R N -0.531 119.953 120.500 -0.026 0.000 2.055 61 R HA -0.095 4.191 4.340 -0.089 0.000 0.228 61 R C 2.240 178.531 176.300 -0.015 0.000 1.143 61 R CA 0.853 56.942 56.100 -0.019 0.000 0.945 61 R CB -0.029 30.261 30.300 -0.018 0.000 0.841 61 R HN 0.248 nan 8.270 nan 0.000 0.429 62 E N 1.037 121.228 120.200 -0.015 0.000 2.046 62 E HA -0.129 4.168 4.350 -0.089 0.000 0.190 62 E C 0.586 177.183 176.600 -0.006 0.000 0.982 62 E CA 1.288 57.683 56.400 -0.009 0.000 0.800 62 E CB 0.118 29.814 29.700 -0.006 0.000 0.756 62 E HN 0.383 nan 8.360 nan 0.000 0.449 63 K N -0.731 119.663 120.400 -0.010 0.000 3.271 63 K HA 0.429 4.696 4.320 -0.089 0.000 0.192 63 K C 0.963 177.551 176.600 -0.019 0.000 1.108 63 K CA 0.056 56.339 56.287 -0.006 0.000 0.902 63 K CB 0.658 33.163 32.500 0.007 0.000 0.889 63 K HN -0.051 nan 8.250 nan 0.000 0.520 64 G N 1.741 110.528 108.800 -0.021 0.000 2.572 64 G HA2 -0.207 3.700 3.960 -0.089 0.000 0.216 64 G HA3 -0.207 3.700 3.960 -0.089 0.000 0.216 64 G C 1.342 176.227 174.900 -0.024 0.000 1.133 64 G CA 0.298 45.381 45.100 -0.028 0.000 0.791 64 G HN 0.556 nan 8.290 nan 0.000 0.538 65 E N 1.354 121.544 120.200 -0.016 0.000 2.152 65 E HA -0.109 4.188 4.350 -0.089 0.000 0.192 65 E C 2.471 179.065 176.600 -0.011 0.000 0.983 65 E CA 1.468 57.861 56.400 -0.012 0.000 0.818 65 E CB -0.887 28.810 29.700 -0.006 0.000 0.758 65 E HN 0.535 nan 8.360 nan 0.000 0.467 66 V N -1.281 118.629 119.914 -0.007 0.000 3.052 66 V HA 0.313 4.379 4.120 -0.089 0.000 0.254 66 V C 2.350 178.432 176.094 -0.020 0.000 1.100 66 V CA 0.958 63.257 62.300 -0.002 0.000 1.112 66 V CB -0.102 31.736 31.823 0.025 0.000 0.738 66 V HN 0.227 nan 8.190 nan 0.000 0.469 67 A N 0.569 123.368 122.820 -0.036 0.000 1.929 67 A HA 0.115 4.382 4.320 -0.089 0.000 0.216 67 A C 1.932 179.497 177.584 -0.033 0.000 1.176 67 A CA 1.854 53.859 52.037 -0.053 0.000 0.628 67 A CB -0.429 18.530 19.000 -0.068 0.000 0.816 67 A HN 0.507 nan 8.150 nan 0.000 0.444 68 L N -0.959 120.243 121.223 -0.034 0.000 2.585 68 L HA 0.245 4.532 4.340 -0.089 0.000 0.226 68 L C 0.783 177.618 176.870 -0.058 0.000 1.113 68 L CA 0.444 55.259 54.840 -0.042 0.000 0.876 68 L CB -0.454 41.577 42.059 -0.046 0.000 1.072 68 L HN 0.438 nan 8.230 nan 0.000 0.468 69 Q N -0.868 118.907 119.800 -0.041 0.000 2.230 69 Q HA 0.217 4.503 4.340 -0.089 0.000 0.248 69 Q C -0.943 175.048 176.000 -0.014 0.000 0.915 69 Q CA -0.466 55.314 55.803 -0.038 0.000 0.900 69 Q CB 0.644 29.381 28.738 -0.003 0.000 1.229 69 Q HN 0.078 nan 8.270 nan 0.000 0.439 70 Y N 1.207 121.498 120.300 -0.014 0.000 2.993 70 Y HA 0.087 4.584 4.550 -0.089 0.000 0.340 70 Y C 0.561 176.287 175.900 -0.290 0.000 1.273 70 Y CA 1.107 59.157 58.100 -0.083 0.000 1.545 70 Y CB 0.434 38.900 38.460 0.009 0.000 1.275 70 Y HN 0.563 nan 8.280 nan 0.000 0.617 71 S N 4.720 120.102 115.700 -0.530 0.000 2.542 71 S HA 0.575 4.991 4.470 -0.089 0.000 0.293 71 S C -2.930 171.516 174.600 -0.257 0.000 1.089 71 S CA -1.948 56.029 58.200 -0.372 0.000 0.961 71 S CB 1.406 64.390 63.200 -0.361 0.000 1.062 71 S HN 0.378 nan 8.310 nan 0.000 0.483 72 P HA 0.094 nan 4.420 nan 0.000 0.262 72 P C 0.924 178.239 177.300 0.025 0.000 1.199 72 P CA 0.168 63.252 63.100 -0.026 0.000 0.763 72 P CB 0.131 31.823 31.700 -0.015 0.000 0.790 73 T N 3.301 117.897 114.554 0.068 0.000 2.634 73 T HA -0.298 3.998 4.350 -0.089 0.000 0.256 73 T C 1.351 176.117 174.700 0.110 0.000 1.131 73 T CA 2.470 64.640 62.100 0.116 0.000 1.149 73 T CB -0.652 68.265 68.868 0.080 0.000 0.849 73 T HN 0.505 nan 8.240 nan 0.000 0.457 74 E N 0.871 121.116 120.200 0.075 0.000 2.072 74 E HA 0.107 4.404 4.350 -0.089 0.000 0.218 74 E C 1.309 177.972 176.600 0.105 0.000 1.051 74 E CA 1.620 58.066 56.400 0.077 0.000 0.880 74 E CB -0.751 28.978 29.700 0.049 0.000 0.783 74 E HN 0.863 nan 8.360 nan 0.000 0.473 75 G N -1.873 106.987 108.800 0.100 0.000 2.317 75 G HA2 0.014 3.920 3.960 -0.089 0.000 0.445 75 G HA3 0.014 3.920 3.960 -0.089 0.000 0.445 75 G C -1.473 173.508 174.900 0.135 0.000 1.486 75 G CA -0.640 44.544 45.100 0.139 0.000 0.991 75 G HN 0.252 nan 8.290 nan 0.000 0.660 76 Y N 1.777 122.084 120.300 0.012 0.000 2.867 76 Y HA 0.152 4.655 4.550 -0.079 0.000 0.367 76 Y C 1.808 177.677 175.900 -0.053 0.000 1.310 76 Y CA 1.488 59.568 58.100 -0.034 0.000 1.655 76 Y CB 0.218 38.648 38.460 -0.050 0.000 1.181 76 Y HN 1.293 nan 8.280 nan 0.000 0.533 77 A N 7.199 129.835 122.820 -0.307 0.000 1.915 77 A HA -0.223 4.044 4.320 -0.089 0.000 0.220 77 A C -0.226 177.122 177.584 -0.393 0.000 1.198 77 A CA 2.036 53.896 52.037 -0.295 0.000 0.647 77 A CB -1.769 17.074 19.000 -0.261 0.000 0.825 77 A HN 0.719 nan 8.150 nan 0.000 0.456 78 P HA -0.122 nan 4.420 nan 0.000 0.218 78 P C 1.616 178.659 177.300 -0.429 0.000 1.148 78 P CA 0.684 63.355 63.100 -0.715 0.000 0.822 78 P CB -0.058 30.922 31.700 -1.200 0.000 0.784 79 L N -0.933 120.161 121.223 -0.215 0.000 2.109 79 L HA -0.081 4.206 4.340 -0.089 0.000 0.207 79 L C 2.320 179.309 176.870 0.198 0.000 1.086 79 L CA 1.417 56.358 54.840 0.169 0.000 0.760 79 L CB -0.186 42.041 42.059 0.280 0.000 0.910 79 L HN -0.052 nan 8.230 nan 0.000 0.437 80 R N -0.337 120.207 120.500 0.073 0.000 2.075 80 R HA -0.094 4.193 4.340 -0.089 0.000 0.232 80 R C 2.234 178.552 176.300 0.031 0.000 1.126 80 R CA 1.234 57.364 56.100 0.050 0.000 0.963 80 R CB -0.378 29.931 30.300 0.016 0.000 0.858 80 R HN 0.359 nan 8.270 nan 0.000 0.435 81 A N 1.118 123.952 122.820 0.023 0.000 1.898 81 A HA -0.178 4.088 4.320 -0.089 0.000 0.216 81 A C 1.957 179.600 177.584 0.098 0.000 1.181 81 A CA 1.003 53.060 52.037 0.033 0.000 0.620 81 A CB -0.600 18.406 19.000 0.009 0.000 0.819 81 A HN 0.342 nan 8.150 nan 0.000 0.442 82 F N 0.717 120.697 119.950 0.051 0.000 2.102 82 F HA -0.156 4.328 4.527 -0.072 0.000 0.298 82 F C 2.202 178.073 175.800 0.119 0.000 1.105 82 F CA 2.013 60.076 58.000 0.104 0.000 1.239 82 F CB -0.439 38.670 39.000 0.181 0.000 0.991 82 F HN 0.022 nan 8.300 nan 0.000 0.474 83 V N 0.676 120.614 119.914 0.040 0.000 2.343 83 V HA -0.304 3.763 4.120 -0.089 0.000 0.247 83 V C 2.784 178.748 176.094 -0.217 0.000 1.051 83 V CA 1.827 64.031 62.300 -0.160 0.000 1.036 83 V CB -1.492 30.122 31.823 -0.349 0.000 0.654 83 V HN 0.520 nan 8.190 nan 0.000 0.451 84 A N -0.515 122.225 122.820 -0.133 0.000 1.908 84 A HA -0.284 3.982 4.320 -0.089 0.000 0.218 84 A C 2.131 179.667 177.584 -0.081 0.000 1.181 84 A CA 2.199 54.173 52.037 -0.105 0.000 0.627 84 A CB -0.512 18.457 19.000 -0.051 0.000 0.818 84 A HN 0.569 nan 8.150 nan 0.000 0.445 85 E N -1.430 118.730 120.200 -0.067 0.000 2.051 85 E HA -0.193 4.103 4.350 -0.089 0.000 0.192 85 E C 1.630 178.229 176.600 -0.002 0.000 0.991 85 E CA 1.481 57.860 56.400 -0.036 0.000 0.799 85 E CB -0.299 29.381 29.700 -0.034 0.000 0.748 85 E HN 0.800 nan 8.360 nan 0.000 0.449 86 W N 0.696 121.803 121.300 -0.322 0.000 2.332 86 W HA -0.171 4.442 4.660 -0.078 0.000 0.321 86 W C 1.688 178.134 176.519 -0.120 0.000 1.219 86 W CA 1.133 58.336 57.345 -0.237 0.000 1.277 86 W CB -0.713 28.526 29.460 -0.367 0.000 1.161 86 W HN 0.069 nan 8.180 nan 0.000 0.476 87 I N 0.982 121.382 120.570 -0.283 0.000 2.614 87 I HA 0.067 4.184 4.170 -0.089 0.000 0.258 87 I C 1.983 177.964 176.117 -0.226 0.000 1.189 87 I CA 1.744 62.789 61.300 -0.425 0.000 1.462 87 I CB -1.116 36.587 38.000 -0.495 0.000 1.092 87 I HN 0.320 nan 8.210 nan 0.000 0.442 88 G N 0.478 109.211 108.800 -0.113 0.000 2.215 88 G HA2 -0.053 3.854 3.960 -0.089 0.000 0.198 88 G HA3 -0.053 3.854 3.960 -0.089 0.000 0.198 88 G C 0.205 175.099 174.900 -0.010 0.000 1.047 88 G CA 0.159 45.234 45.100 -0.041 0.000 0.747 88 G HN 0.555 nan 8.290 nan 0.000 0.495 89 V N -4.321 115.577 119.914 -0.026 0.000 3.087 89 V HA 0.905 4.972 4.120 -0.089 0.000 0.311 89 V C 0.245 176.334 176.094 -0.008 0.000 1.333 89 V CA -1.705 60.603 62.300 0.012 0.000 1.054 89 V CB 1.267 33.114 31.823 0.040 0.000 1.123 89 V HN 0.388 nan 8.190 nan 0.000 0.473 90 R N 0.012 120.513 120.500 0.001 0.000 2.643 90 R HA 0.479 4.765 4.340 -0.089 0.000 0.272 90 R C -2.113 174.177 176.300 -0.016 0.000 0.995 90 R CA -1.647 54.448 56.100 -0.008 0.000 1.032 90 R CB 1.202 31.500 30.300 -0.005 0.000 1.126 90 R HN 0.463 nan 8.270 nan 0.000 0.505 91 P HA -0.144 nan 4.420 nan 0.000 0.218 91 P C 0.226 177.519 177.300 -0.011 0.000 1.148 91 P CA 1.268 64.357 63.100 -0.018 0.000 0.822 91 P CB 0.310 31.997 31.700 -0.022 0.000 0.784 92 E N -0.629 119.563 120.200 -0.012 0.000 2.427 92 E HA -0.095 4.202 4.350 -0.089 0.000 0.196 92 E C 1.348 177.944 176.600 -0.006 0.000 1.028 92 E CA 0.684 57.077 56.400 -0.011 0.000 0.864 92 E CB -0.511 29.177 29.700 -0.021 0.000 0.813 92 E HN 0.444 nan 8.360 nan 0.000 0.514 93 E N -0.121 120.079 120.200 0.000 0.000 2.479 93 E HA 0.073 4.370 4.350 -0.089 0.000 0.193 93 E C -0.388 176.230 176.600 0.030 0.000 1.049 93 E CA -0.045 56.366 56.400 0.018 0.000 0.870 93 E CB 0.831 30.558 29.700 0.044 0.000 0.944 93 E HN -0.021 nan 8.360 nan 0.000 0.492 94 V N 2.158 122.085 119.914 0.021 0.000 2.427 94 V HA 0.267 4.333 4.120 -0.089 0.000 0.286 94 V C -0.542 175.600 176.094 0.080 0.000 1.034 94 V CA -0.820 61.505 62.300 0.043 0.000 0.893 94 V CB 1.541 33.359 31.823 -0.008 0.000 0.982 94 V HN 0.066 nan 8.190 nan 0.000 0.452 95 L N 6.607 127.909 121.223 0.131 0.000 2.381 95 L HA 0.645 4.932 4.340 -0.089 0.000 0.274 95 L C -0.624 176.364 176.870 0.197 0.000 0.988 95 L CA -0.002 54.919 54.840 0.134 0.000 0.824 95 L CB 1.451 43.574 42.059 0.107 0.000 1.263 95 L HN 0.539 nan 8.230 nan 0.000 0.410 96 I N 4.574 125.260 120.570 0.193 0.000 2.365 96 I HA 0.440 4.556 4.170 -0.089 0.000 0.291 96 I C 0.363 176.590 176.117 0.183 0.000 1.004 96 I CA -0.181 61.264 61.300 0.241 0.000 1.311 96 I CB 1.530 39.677 38.000 0.245 0.000 1.401 96 I HN 0.796 nan 8.210 nan 0.000 0.491 97 T N 0.264 114.923 114.554 0.175 0.000 2.910 97 T HA 0.336 4.633 4.350 -0.089 0.000 0.287 97 T C -0.003 174.763 174.700 0.110 0.000 1.050 97 T CA -0.753 61.416 62.100 0.116 0.000 1.011 97 T CB 1.602 70.515 68.868 0.075 0.000 1.195 97 T HN 0.396 nan 8.240 nan 0.000 0.540 98 T N 1.988 116.587 114.554 0.074 0.000 3.688 98 T HA 0.573 4.869 4.350 -0.089 0.000 0.307 98 T C 0.738 175.468 174.700 0.051 0.000 1.382 98 T CA 0.433 62.569 62.100 0.061 0.000 1.136 98 T CB -1.035 67.853 68.868 0.033 0.000 1.207 98 T HN 1.355 nan 8.240 nan 0.000 0.854 99 G N 1.634 110.473 108.800 0.064 0.000 2.755 99 G HA2 -0.212 3.694 3.960 -0.089 0.000 0.686 99 G HA3 -0.212 3.694 3.960 -0.089 0.000 0.686 99 G C 0.832 175.734 174.900 0.003 0.000 1.427 99 G CA -0.419 44.704 45.100 0.039 0.000 0.873 99 G HN 0.379 nan 8.290 nan 0.000 0.580 100 S N -0.094 115.584 115.700 -0.037 0.000 2.419 100 S HA -0.155 4.262 4.470 -0.089 0.000 0.233 100 S C 2.254 176.858 174.600 0.006 0.000 1.016 100 S CA 1.929 60.094 58.200 -0.058 0.000 0.974 100 S CB -0.166 62.970 63.200 -0.106 0.000 0.786 100 S HN 0.866 nan 8.310 nan 0.000 0.492 101 Q N 1.960 121.780 119.800 0.033 0.000 2.173 101 Q HA -0.221 4.065 4.340 -0.089 0.000 0.208 101 Q C 2.001 177.999 176.000 -0.003 0.000 0.989 101 Q CA 1.971 57.789 55.803 0.025 0.000 0.872 101 Q CB -0.466 28.287 28.738 0.024 0.000 0.909 101 Q HN 0.705 nan 8.270 nan 0.000 0.420 102 Q N -1.308 118.497 119.800 0.009 0.000 2.020 102 Q HA -0.077 4.210 4.340 -0.089 0.000 0.198 102 Q C 1.936 177.950 176.000 0.024 0.000 0.974 102 Q CA 1.367 57.178 55.803 0.014 0.000 0.829 102 Q CB -0.381 28.371 28.738 0.023 0.000 0.894 102 Q HN 0.458 nan 8.270 nan 0.000 0.433 103 A N 0.874 123.708 122.820 0.023 0.000 1.997 103 A HA -0.197 4.069 4.320 -0.089 0.000 0.221 103 A C 1.994 179.616 177.584 0.063 0.000 1.172 103 A CA 1.457 53.515 52.037 0.034 0.000 0.645 103 A CB -0.757 18.246 19.000 0.005 0.000 0.813 103 A HN 0.490 nan 8.150 nan 0.000 0.454 104 L N -1.195 120.059 121.223 0.052 0.000 2.240 104 L HA -0.099 4.188 4.340 -0.089 0.000 0.211 104 L C 2.196 179.142 176.870 0.127 0.000 1.106 104 L CA 1.424 56.313 54.840 0.082 0.000 0.793 104 L CB -0.382 41.610 42.059 -0.111 0.000 0.927 104 L HN 0.456 nan 8.230 nan 0.000 0.446 105 D N 0.097 120.533 120.400 0.059 0.000 2.213 105 D HA -0.098 4.488 4.640 -0.089 0.000 0.205 105 D C 2.231 178.583 176.300 0.087 0.000 0.961 105 D CA 0.785 54.825 54.000 0.067 0.000 0.853 105 D CB 0.194 41.006 40.800 0.020 0.000 0.967 105 D HN 0.180 nan 8.370 nan 0.000 0.496 106 L N -0.356 120.910 121.223 0.071 0.000 2.179 106 L HA -0.021 4.266 4.340 -0.089 0.000 0.208 106 L C 2.366 179.268 176.870 0.053 0.000 1.096 106 L CA 0.320 55.188 54.840 0.047 0.000 0.779 106 L CB -0.176 41.904 42.059 0.035 0.000 0.922 106 L HN 0.028 nan 8.230 nan 0.000 0.443 107 V N 0.250 120.233 119.914 0.114 0.000 2.379 107 V HA -0.121 3.946 4.120 -0.089 0.000 0.245 107 V C 2.645 178.877 176.094 0.230 0.000 1.044 107 V CA 1.883 64.277 62.300 0.157 0.000 1.036 107 V CB -0.971 30.889 31.823 0.061 0.000 0.664 107 V HN 0.521 nan 8.190 nan 0.000 0.453 108 G N -0.007 108.978 108.800 0.310 0.000 2.446 108 G HA2 -0.273 3.633 3.960 -0.089 0.000 0.217 108 G HA3 -0.273 3.633 3.960 -0.089 0.000 0.217 108 G C 1.607 176.622 174.900 0.192 0.000 1.168 108 G CA 0.890 46.199 45.100 0.347 0.000 0.771 108 G HN 0.477 nan 8.290 nan 0.000 0.551 109 K N -0.279 120.189 120.400 0.114 0.000 2.280 109 K HA 0.042 4.309 4.320 -0.089 0.000 0.202 109 K C 2.191 178.773 176.600 -0.031 0.000 1.047 109 K CA 0.724 57.035 56.287 0.039 0.000 0.942 109 K CB 0.072 32.584 32.500 0.019 0.000 0.739 109 K HN 0.295 nan 8.250 nan 0.000 0.457 110 V N -0.500 119.352 119.914 -0.104 0.000 3.431 110 V HA 0.006 4.072 4.120 -0.089 0.000 0.253 110 V C 0.880 176.699 176.094 -0.457 0.000 1.184 110 V CA 0.943 63.038 62.300 -0.342 0.000 1.104 110 V CB -0.052 31.429 31.823 -0.569 0.000 0.799 110 V HN 0.143 nan 8.190 nan 0.000 0.462 111 F N -0.832 119.155 119.950 0.063 0.000 2.746 111 F HA 0.445 4.918 4.527 -0.090 0.000 0.313 111 F C 0.576 176.430 175.800 0.090 0.000 1.095 111 F CA -0.134 57.930 58.000 0.107 0.000 1.224 111 F CB 0.449 39.586 39.000 0.229 0.000 1.060 111 F HN -0.081 nan 8.300 nan 0.000 0.584 112 L N 1.125 122.474 121.223 0.211 0.000 2.329 112 L HA 0.499 4.786 4.340 -0.089 0.000 0.279 112 L C -0.869 176.017 176.870 0.027 0.000 1.014 112 L CA -0.680 54.207 54.840 0.079 0.000 0.814 112 L CB 1.659 43.740 42.059 0.036 0.000 1.257 112 L HN -0.096 nan 8.230 nan 0.000 0.424 113 D N 0.977 121.372 120.400 -0.009 0.000 2.490 113 D HA 0.166 4.753 4.640 -0.089 0.000 0.232 113 D C -0.714 175.564 176.300 -0.037 0.000 1.053 113 D CA -0.577 53.415 54.000 -0.014 0.000 0.914 113 D CB 2.390 43.185 40.800 -0.009 0.000 1.431 113 D HN 0.461 nan 8.370 nan 0.000 0.483 114 E N -0.130 120.053 120.200 -0.028 0.000 2.529 114 E HA 0.171 4.467 4.350 -0.089 0.000 0.259 114 E C 0.865 177.435 176.600 -0.050 0.000 0.966 114 E CA 0.940 57.317 56.400 -0.038 0.000 0.937 114 E CB 0.171 29.859 29.700 -0.019 0.000 0.923 114 E HN 0.718 nan 8.360 nan 0.000 0.468 115 G N 3.145 111.901 108.800 -0.075 0.000 2.284 115 G HA2 -0.286 3.621 3.960 -0.089 0.000 0.230 115 G HA3 -0.286 3.621 3.960 -0.089 0.000 0.230 115 G C 0.287 175.124 174.900 -0.105 0.000 1.021 115 G CA 0.115 45.169 45.100 -0.076 0.000 0.619 115 G HN 0.604 nan 8.290 nan 0.000 0.510 116 S N 3.865 119.497 115.700 -0.113 0.000 2.593 116 S HA 0.386 4.803 4.470 -0.089 0.000 0.300 116 S C -1.812 172.661 174.600 -0.212 0.000 1.267 116 S CA 0.490 58.609 58.200 -0.135 0.000 1.065 116 S CB 1.120 64.247 63.200 -0.120 0.000 0.807 116 S HN 0.534 nan 8.310 nan 0.000 0.499 117 P HA 0.307 nan 4.420 nan 0.000 0.293 117 P C -0.837 176.269 177.300 -0.323 0.000 1.300 117 P CA -0.518 62.448 63.100 -0.223 0.000 0.792 117 P CB 0.945 32.562 31.700 -0.138 0.000 0.925 118 V N 2.498 122.170 119.914 -0.402 0.000 2.628 118 V HA 0.620 4.686 4.120 -0.089 0.000 0.306 118 V C -0.424 175.520 176.094 -0.251 0.000 1.045 118 V CA -1.164 60.811 62.300 -0.542 0.000 0.905 118 V CB 2.141 33.518 31.823 -0.744 0.000 0.997 118 V HN 0.451 nan 8.190 nan 0.000 0.436 119 L N 5.777 126.869 121.223 -0.218 0.000 2.333 119 L HA 0.860 5.146 4.340 -0.089 0.000 0.280 119 L C -0.961 175.953 176.870 0.073 0.000 1.004 119 L CA -0.622 54.198 54.840 -0.033 0.000 0.820 119 L CB 1.429 43.465 42.059 -0.039 0.000 1.247 119 L HN 0.949 nan 8.230 nan 0.000 0.416 120 L N 0.889 122.199 121.223 0.145 0.000 2.540 120 L HA 0.635 4.922 4.340 -0.089 0.000 0.256 120 L C -1.002 175.933 176.870 0.108 0.000 1.001 120 L CA -1.019 53.952 54.840 0.219 0.000 0.843 120 L CB 2.003 44.318 42.059 0.427 0.000 1.436 120 L HN 0.507 nan 8.230 nan 0.000 0.410 121 E N 0.884 121.116 120.200 0.053 0.000 2.428 121 E HA 0.536 4.833 4.350 -0.089 0.000 0.257 121 E C -0.307 176.239 176.600 -0.089 0.000 1.197 121 E CA 0.153 56.531 56.400 -0.036 0.000 0.974 121 E CB 0.801 30.445 29.700 -0.094 0.000 0.976 121 E HN 0.743 nan 8.360 nan 0.000 0.463 122 A N 2.512 125.239 122.820 -0.156 0.000 2.410 122 A HA 0.418 4.684 4.320 -0.089 0.000 0.289 122 A C -2.449 174.853 177.584 -0.470 0.000 1.200 122 A CA -1.431 50.428 52.037 -0.296 0.000 0.751 122 A CB 0.656 19.615 19.000 -0.069 0.000 1.161 122 A HN 0.360 nan 8.150 nan 0.000 0.459 123 P HA 0.550 nan 4.420 nan 0.000 0.279 123 P C -0.022 177.004 177.300 -0.458 0.000 1.282 123 P CA -0.166 62.357 63.100 -0.960 0.000 0.788 123 P CB 1.728 32.688 31.700 -1.233 0.000 1.139 124 S N -1.706 113.852 115.700 -0.237 0.000 2.643 124 S HA 0.277 4.694 4.470 -0.089 0.000 0.270 124 S C -1.553 173.154 174.600 0.178 0.000 1.166 124 S CA -0.589 57.606 58.200 -0.008 0.000 0.815 124 S CB 0.035 63.305 63.200 0.115 0.000 1.139 124 S HN 0.351 nan 8.310 nan 0.000 0.472 125 Y N 3.066 123.440 120.300 0.123 0.000 2.745 125 Y HA 0.096 4.592 4.550 -0.090 0.000 0.335 125 Y C 1.570 177.435 175.900 -0.057 0.000 1.212 125 Y CA 0.554 58.716 58.100 0.102 0.000 1.535 125 Y CB -0.228 38.331 38.460 0.165 0.000 1.220 125 Y HN 0.717 nan 8.280 nan 0.000 0.531 126 M N 4.482 123.918 119.600 -0.274 0.000 2.108 126 M HA -0.257 4.169 4.480 -0.089 0.000 0.257 126 M C 2.270 178.100 176.300 -0.783 0.000 1.071 126 M CA 2.072 57.038 55.300 -0.556 0.000 1.093 126 M CB -0.659 31.588 32.600 -0.588 0.000 1.345 126 M HN 0.927 nan 8.290 nan 0.000 0.403 127 G N -0.144 107.778 108.800 -1.464 0.000 2.469 127 G HA2 -0.212 3.695 3.960 -0.089 0.000 0.219 127 G HA3 -0.212 3.695 3.960 -0.089 0.000 0.219 127 G C 1.587 175.908 174.900 -0.964 0.000 1.150 127 G CA 1.198 45.498 45.100 -1.332 0.000 0.763 127 G HN 0.578 nan 8.290 nan 0.000 0.561 128 A N 0.844 123.045 122.820 -1.032 0.000 1.898 128 A HA 0.077 4.343 4.320 -0.089 0.000 0.216 128 A C 2.367 179.288 177.584 -1.105 0.000 1.181 128 A CA 1.370 52.700 52.037 -1.179 0.000 0.620 128 A CB -0.254 17.978 19.000 -1.279 0.000 0.819 128 A HN 0.281 nan 8.150 nan 0.000 0.442 129 I N 0.003 120.203 120.570 -0.617 0.000 2.127 129 I HA -0.297 3.820 4.170 -0.089 0.000 0.241 129 I C 2.666 178.621 176.117 -0.269 0.000 1.075 129 I CA 2.044 63.120 61.300 -0.373 0.000 1.334 129 I CB -1.606 36.156 38.000 -0.398 0.000 1.040 129 I HN 0.555 nan 8.210 nan 0.000 0.405 130 Q N 0.795 120.384 119.800 -0.351 0.000 2.030 130 Q HA -0.211 4.075 4.340 -0.089 0.000 0.204 130 Q C 2.375 178.260 176.000 -0.191 0.000 0.986 130 Q CA 2.384 58.042 55.803 -0.242 0.000 0.843 130 Q CB -0.051 28.519 28.738 -0.280 0.000 0.904 130 Q HN 0.505 nan 8.270 nan 0.000 0.420 131 A N 0.259 122.881 122.820 -0.329 0.000 1.892 131 A HA -0.202 4.065 4.320 -0.089 0.000 0.218 131 A C 1.716 179.315 177.584 0.025 0.000 1.188 131 A CA 1.671 53.574 52.037 -0.223 0.000 0.631 131 A CB -0.840 17.930 19.000 -0.383 0.000 0.822 131 A HN 0.458 nan 8.150 nan 0.000 0.447 132 F N -0.617 119.365 119.950 0.053 0.000 2.098 132 F HA 0.030 4.505 4.527 -0.088 0.000 0.294 132 F C 2.282 178.153 175.800 0.119 0.000 1.107 132 F CA 0.816 58.888 58.000 0.119 0.000 1.234 132 F CB -1.324 37.798 39.000 0.203 0.000 1.002 132 F HN 0.226 nan 8.300 nan 0.000 0.472 133 R N 0.934 121.696 120.500 0.437 0.000 2.165 133 R HA -0.221 4.066 4.340 -0.089 0.000 0.254 133 R C 2.265 178.654 176.300 0.148 0.000 1.153 133 R CA 1.507 57.812 56.100 0.342 0.000 0.971 133 R CB -0.745 29.704 30.300 0.248 0.000 0.878 133 R HN 0.295 nan 8.270 nan 0.000 0.449 134 L N 0.653 121.937 121.223 0.102 0.000 2.263 134 L HA -0.218 4.069 4.340 -0.089 0.000 0.216 134 L C 1.185 178.087 176.870 0.053 0.000 1.111 134 L CA 1.871 56.743 54.840 0.053 0.000 0.773 134 L CB -0.595 41.484 42.059 0.034 0.000 0.906 134 L HN 0.459 nan 8.230 nan 0.000 0.439 135 Q N -0.221 119.621 119.800 0.069 0.000 2.398 135 Q HA 0.102 4.389 4.340 -0.089 0.000 0.204 135 Q C 1.391 177.388 176.000 -0.006 0.000 0.932 135 Q CA 0.850 56.674 55.803 0.035 0.000 0.916 135 Q CB 0.056 28.822 28.738 0.045 0.000 1.024 135 Q HN 0.663 nan 8.270 nan 0.000 0.504 136 G N 2.361 111.153 108.800 -0.014 0.000 2.149 136 G HA2 -0.187 3.719 3.960 -0.089 0.000 0.235 136 G HA3 -0.187 3.719 3.960 -0.089 0.000 0.235 136 G C -2.167 172.659 174.900 -0.122 0.000 1.018 136 G CA 0.144 45.221 45.100 -0.039 0.000 0.728 136 G HN 0.265 nan 8.290 nan 0.000 0.508 137 P HA 0.308 nan 4.420 nan 0.000 0.286 137 P C -0.200 176.837 177.300 -0.438 0.000 1.293 137 P CA -0.433 62.440 63.100 -0.377 0.000 0.770 137 P CB 0.804 32.167 31.700 -0.563 0.000 1.206 138 R N 0.169 120.430 120.500 -0.399 0.000 2.343 138 R HA 0.425 4.711 4.340 -0.089 0.000 0.320 138 R C -0.812 175.305 176.300 -0.305 0.000 0.956 138 R CA -0.623 55.324 56.100 -0.254 0.000 0.836 138 R CB 0.132 30.358 30.300 -0.123 0.000 1.151 138 R HN 0.268 nan 8.270 nan 0.000 0.450 139 F N 5.261 125.194 119.950 -0.027 0.000 2.438 139 F HA 0.282 4.755 4.527 -0.090 0.000 0.356 139 F C 0.118 175.906 175.800 -0.020 0.000 1.099 139 F CA -0.465 57.519 58.000 -0.026 0.000 1.185 139 F CB 0.928 39.933 39.000 0.008 0.000 1.115 139 F HN 0.208 nan 8.300 nan 0.000 0.526 140 L N 4.039 125.346 121.223 0.140 0.000 2.294 140 L HA 0.470 4.756 4.340 -0.089 0.000 0.283 140 L C 0.035 176.962 176.870 0.096 0.000 1.015 140 L CA -0.624 54.263 54.840 0.078 0.000 0.831 140 L CB 1.415 43.482 42.059 0.013 0.000 1.217 140 L HN 0.658 nan 8.230 nan 0.000 0.420 141 T N 0.308 114.916 114.554 0.090 0.000 2.918 141 T HA 0.706 5.002 4.350 -0.089 0.000 0.286 141 T C -0.643 174.083 174.700 0.044 0.000 1.026 141 T CA -0.817 61.324 62.100 0.068 0.000 1.031 141 T CB 2.533 71.439 68.868 0.062 0.000 1.046 141 T HN 0.251 nan 8.240 nan 0.000 0.479 142 V N 3.238 123.166 119.914 0.023 0.000 2.709 142 V HA 0.632 4.699 4.120 -0.089 0.000 0.308 142 V C -2.579 173.514 176.094 -0.002 0.000 1.062 142 V CA -2.615 59.693 62.300 0.013 0.000 0.901 142 V CB 2.259 34.083 31.823 0.003 0.000 1.003 142 V HN 0.950 nan 8.190 nan 0.000 0.425 143 P HA 0.236 nan 4.420 nan 0.000 0.265 143 P C -0.868 176.413 177.300 -0.032 0.000 1.193 143 P CA 0.120 63.223 63.100 0.005 0.000 0.765 143 P CB 1.031 32.755 31.700 0.039 0.000 0.823 144 A N 2.939 125.716 122.820 -0.072 0.000 2.330 144 A HA 0.778 5.045 4.320 -0.089 0.000 0.327 144 A C 0.275 177.808 177.584 -0.086 0.000 1.155 144 A CA -0.277 51.699 52.037 -0.101 0.000 0.803 144 A CB 1.357 20.255 19.000 -0.170 0.000 1.208 144 A HN 0.623 nan 8.150 nan 0.000 0.477 145 G N -0.199 108.562 108.800 -0.065 0.000 3.176 145 G HA2 0.467 4.373 3.960 -0.089 0.000 0.272 145 G HA3 0.467 4.373 3.960 -0.089 0.000 0.272 145 G C 0.294 175.172 174.900 -0.037 0.000 1.349 145 G CA -0.107 44.972 45.100 -0.035 0.000 0.953 145 G HN 0.606 nan 8.290 nan 0.000 0.559 146 E N -0.393 119.802 120.200 -0.007 0.000 2.171 146 E HA -0.107 4.189 4.350 -0.089 0.000 0.197 146 E C 1.827 178.417 176.600 -0.016 0.000 0.997 146 E CA 1.476 57.878 56.400 0.002 0.000 0.810 146 E CB 0.231 29.941 29.700 0.017 0.000 0.738 146 E HN 0.441 nan 8.360 nan 0.000 0.467 147 E N -0.870 119.315 120.200 -0.026 0.000 2.474 147 E HA 0.196 4.492 4.350 -0.089 0.000 0.195 147 E C 0.844 177.409 176.600 -0.059 0.000 1.039 147 E CA 0.571 56.949 56.400 -0.037 0.000 0.881 147 E CB 0.860 30.543 29.700 -0.028 0.000 0.970 147 E HN 0.270 nan 8.360 nan 0.000 0.486 148 G N 2.372 111.131 108.800 -0.068 0.000 2.428 148 G HA2 -0.160 3.746 3.960 -0.089 0.000 0.202 148 G HA3 -0.160 3.746 3.960 -0.089 0.000 0.202 148 G C -2.732 172.122 174.900 -0.076 0.000 1.247 148 G CA -0.758 44.289 45.100 -0.088 0.000 1.020 148 G HN -0.030 nan 8.290 nan 0.000 0.529 149 P HA 0.247 nan 4.420 nan 0.000 0.271 149 P C -0.763 176.511 177.300 -0.043 0.000 1.216 149 P CA 0.127 63.191 63.100 -0.060 0.000 0.771 149 P CB 0.864 32.529 31.700 -0.058 0.000 0.864 150 D N 3.517 123.898 120.400 -0.031 0.000 2.380 150 D HA -0.009 4.577 4.640 -0.089 0.000 0.270 150 D C 1.352 177.640 176.300 -0.020 0.000 1.363 150 D CA 0.147 54.135 54.000 -0.020 0.000 1.057 150 D CB -0.213 40.582 40.800 -0.009 0.000 1.096 150 D HN 0.262 nan 8.370 nan 0.000 0.524 151 L N 2.440 123.649 121.223 -0.024 0.000 2.187 151 L HA -0.178 4.109 4.340 -0.089 0.000 0.213 151 L C 1.719 178.577 176.870 -0.020 0.000 1.100 151 L CA 0.822 55.647 54.840 -0.025 0.000 0.765 151 L CB -0.172 41.869 42.059 -0.029 0.000 0.904 151 L HN 0.324 nan 8.230 nan 0.000 0.437 152 D N 0.533 120.924 120.400 -0.016 0.000 2.085 152 D HA -0.128 4.458 4.640 -0.089 0.000 0.199 152 D C 2.284 178.578 176.300 -0.009 0.000 0.981 152 D CA 1.524 55.517 54.000 -0.012 0.000 0.834 152 D CB -0.062 40.733 40.800 -0.009 0.000 0.992 152 D HN 0.282 nan 8.370 nan 0.000 0.457 153 A N 0.910 123.727 122.820 -0.005 0.000 1.986 153 A HA -0.182 4.085 4.320 -0.089 0.000 0.220 153 A C 2.198 179.780 177.584 -0.004 0.000 1.171 153 A CA 1.083 53.120 52.037 -0.001 0.000 0.640 153 A CB -0.673 18.330 19.000 0.005 0.000 0.811 153 A HN 0.195 nan 8.150 nan 0.000 0.451 154 L N 0.456 121.674 121.223 -0.009 0.000 2.023 154 L HA -0.153 4.133 4.340 -0.089 0.000 0.205 154 L C 2.643 179.504 176.870 -0.015 0.000 1.073 154 L CA 2.540 57.373 54.840 -0.012 0.000 0.745 154 L CB -0.619 41.430 42.059 -0.017 0.000 0.900 154 L HN 0.685 nan 8.230 nan 0.000 0.435 155 E N -0.995 119.194 120.200 -0.018 0.000 2.204 155 E HA -0.308 3.988 4.350 -0.089 0.000 0.195 155 E C 1.795 178.385 176.600 -0.016 0.000 0.990 155 E CA 1.314 57.702 56.400 -0.020 0.000 0.821 155 E CB -0.448 29.238 29.700 -0.022 0.000 0.750 155 E HN 0.520 nan 8.360 nan 0.000 0.477 156 E N 1.072 121.265 120.200 -0.012 0.000 2.347 156 E HA -0.076 4.221 4.350 -0.089 0.000 0.196 156 E C 1.670 178.265 176.600 -0.007 0.000 1.008 156 E CA 0.723 57.118 56.400 -0.008 0.000 0.852 156 E CB 0.243 29.941 29.700 -0.004 0.000 0.783 156 E HN 0.253 nan 8.360 nan 0.000 0.505 157 V N -0.234 119.675 119.914 -0.009 0.000 2.795 157 V HA -0.023 4.044 4.120 -0.089 0.000 0.243 157 V C 1.700 177.785 176.094 -0.014 0.000 1.069 157 V CA 0.466 62.761 62.300 -0.009 0.000 1.089 157 V CB -0.158 31.661 31.823 -0.006 0.000 0.756 157 V HN 0.203 nan 8.190 nan 0.000 0.471 158 L N 0.168 121.381 121.223 -0.017 0.000 2.456 158 L HA -0.011 4.275 4.340 -0.089 0.000 0.224 158 L C 2.000 178.858 176.870 -0.019 0.000 1.148 158 L CA 1.635 56.463 54.840 -0.021 0.000 0.825 158 L CB -0.790 41.254 42.059 -0.025 0.000 0.937 158 L HN 0.265 nan 8.230 nan 0.000 0.450 159 K N -1.246 119.144 120.400 -0.016 0.000 2.404 159 K HA 0.118 4.385 4.320 -0.089 0.000 0.194 159 K C 1.442 178.034 176.600 -0.013 0.000 1.023 159 K CA 0.215 56.494 56.287 -0.015 0.000 1.094 159 K CB 0.387 32.879 32.500 -0.013 0.000 0.841 159 K HN 0.319 nan 8.250 nan 0.000 0.523 160 R N -0.525 119.967 120.500 -0.013 0.000 2.493 160 R HA 0.140 4.427 4.340 -0.089 0.000 0.177 160 R C 0.357 176.649 176.300 -0.015 0.000 0.861 160 R CA -0.140 55.953 56.100 -0.011 0.000 1.083 160 R CB 0.314 30.609 30.300 -0.008 0.000 1.328 160 R HN -0.101 nan 8.270 nan 0.000 0.615 161 E N 1.343 121.532 120.200 -0.018 0.000 2.250 161 E HA 0.315 4.612 4.350 -0.089 0.000 0.265 161 E C -0.878 175.705 176.600 -0.029 0.000 1.033 161 E CA -0.529 55.856 56.400 -0.025 0.000 0.888 161 E CB 1.336 31.020 29.700 -0.028 0.000 1.151 161 E HN -0.006 nan 8.360 nan 0.000 0.412 162 R N 2.608 123.087 120.500 -0.036 0.000 2.629 162 R HA 0.310 4.597 4.340 -0.089 0.000 0.275 162 R C -2.455 173.812 176.300 -0.055 0.000 1.719 162 R CA -1.662 54.417 56.100 -0.035 0.000 1.472 162 R CB 0.628 30.914 30.300 -0.023 0.000 1.237 162 R HN 0.391 nan 8.270 nan 0.000 0.589 163 P HA 0.013 nan 4.420 nan 0.000 0.267 163 P C 0.039 177.262 177.300 -0.127 0.000 1.200 163 P CA -0.297 62.721 63.100 -0.136 0.000 0.772 163 P CB 0.911 32.518 31.700 -0.156 0.000 0.855 164 R N 1.399 121.790 120.500 -0.182 0.000 2.159 164 R HA -0.015 4.272 4.340 -0.089 0.000 0.237 164 R C 0.828 177.122 176.300 -0.010 0.000 1.131 164 R CA 1.145 57.203 56.100 -0.071 0.000 0.982 164 R CB -0.964 29.314 30.300 -0.037 0.000 0.868 164 R HN 0.728 nan 8.270 nan 0.000 0.453 165 F N -3.940 115.894 119.950 -0.193 0.000 2.793 165 F HA 0.401 4.875 4.527 -0.088 0.000 0.316 165 F C -1.902 173.821 175.800 -0.128 0.000 1.147 165 F CA -1.791 56.074 58.000 -0.224 0.000 0.930 165 F CB 0.443 39.194 39.000 -0.414 0.000 1.277 165 F HN -0.338 nan 8.300 nan 0.000 0.443 166 L N 3.127 124.471 121.223 0.202 0.000 2.307 166 L HA 0.463 4.750 4.340 -0.089 0.000 0.284 166 L C -0.976 176.096 176.870 0.337 0.000 1.023 166 L CA -0.757 54.176 54.840 0.155 0.000 0.810 166 L CB 1.199 43.303 42.059 0.075 0.000 1.231 166 L HN 0.695 nan 8.230 nan 0.000 0.423 167 Y N 4.648 125.090 120.300 0.237 0.000 2.385 167 Y HA 0.743 5.238 4.550 -0.091 0.000 0.341 167 Y C -1.246 174.756 175.900 0.171 0.000 0.965 167 Y CA -0.688 57.593 58.100 0.301 0.000 1.180 167 Y CB 0.677 39.448 38.460 0.517 0.000 1.139 167 Y HN 0.462 nan 8.280 nan 0.000 0.502 168 L N 7.435 128.385 121.223 -0.455 0.000 2.388 168 L HA 0.552 4.839 4.340 -0.089 0.000 0.264 168 L C -0.864 175.721 176.870 -0.476 0.000 0.998 168 L CA -1.003 53.585 54.840 -0.419 0.000 0.817 168 L CB 2.704 44.659 42.059 -0.174 0.000 1.338 168 L HN 0.540 nan 8.230 nan 0.000 0.414 169 I N 2.105 122.459 120.570 -0.361 0.000 2.697 169 I HA 0.235 4.351 4.170 -0.089 0.000 0.279 169 I C -1.845 174.158 176.117 -0.190 0.000 1.171 169 I CA -1.375 59.776 61.300 -0.250 0.000 1.135 169 I CB 1.046 38.936 38.000 -0.183 0.000 1.445 169 I HN 0.364 nan 8.210 nan 0.000 0.541 170 P HA -0.087 nan 4.420 nan 0.000 0.223 170 P C 0.171 177.305 177.300 -0.276 0.000 1.144 170 P CA 1.174 64.167 63.100 -0.179 0.000 0.783 170 P CB 0.211 31.837 31.700 -0.123 0.000 0.771 171 S N 0.009 115.527 115.700 -0.305 0.000 2.667 171 S HA 0.394 4.811 4.470 -0.089 0.000 0.304 171 S C -0.704 173.560 174.600 -0.560 0.000 1.135 171 S CA -0.518 57.302 58.200 -0.633 0.000 1.125 171 S CB -0.491 62.450 63.200 -0.431 0.000 0.996 171 S HN 0.021 nan 8.310 nan 0.000 0.474 172 F N 0.578 120.480 119.950 -0.081 0.000 2.905 172 F HA -0.184 4.289 4.527 -0.090 0.000 0.311 172 F C 0.753 176.441 175.800 -0.186 0.000 1.005 172 F CA -0.002 57.898 58.000 -0.167 0.000 1.029 172 F CB -1.967 36.873 39.000 -0.267 0.000 1.151 172 F HN 0.621 nan 8.300 nan 0.000 0.805 173 Q N 1.528 121.280 119.800 -0.080 0.000 2.326 173 Q HA -0.071 4.215 4.340 -0.089 0.000 0.314 173 Q C 0.463 176.389 176.000 -0.122 0.000 1.091 173 Q CA 0.277 56.023 55.803 -0.096 0.000 0.974 173 Q CB 0.543 29.186 28.738 -0.158 0.000 1.220 173 Q HN 0.458 nan 8.270 nan 0.000 0.398 174 N N 4.395 123.036 118.700 -0.098 0.000 2.455 174 N HA 0.223 4.910 4.740 -0.089 0.000 0.280 174 N C -2.135 173.195 175.510 -0.300 0.000 1.055 174 N CA -2.038 50.864 53.050 -0.246 0.000 0.961 174 N CB 1.301 39.726 38.487 -0.103 0.000 1.121 174 N HN 0.387 nan 8.380 nan 0.000 0.476 175 P HA 0.082 nan 4.420 nan 0.000 0.264 175 P C 0.764 177.751 177.300 -0.523 0.000 1.259 175 P CA 0.423 63.026 63.100 -0.828 0.000 0.841 175 P CB 0.287 31.190 31.700 -1.327 0.000 1.232 176 T N -3.994 110.211 114.554 -0.582 0.000 2.904 176 T HA 0.146 4.443 4.350 -0.089 0.000 0.267 176 T C 1.756 176.435 174.700 -0.036 0.000 1.059 176 T CA 1.348 63.243 62.100 -0.341 0.000 1.137 176 T CB -1.290 67.307 68.868 -0.451 0.000 0.879 176 T HN 0.184 nan 8.240 nan 0.000 0.467 177 G N 1.090 109.869 108.800 -0.035 0.000 2.159 177 G HA2 -0.064 3.842 3.960 -0.089 0.000 0.256 177 G HA3 -0.064 3.842 3.960 -0.089 0.000 0.256 177 G C 0.429 175.380 174.900 0.085 0.000 0.977 177 G CA 0.006 45.151 45.100 0.076 0.000 0.652 177 G HN 1.034 nan 8.290 nan 0.000 0.531 178 G N -0.554 108.237 108.800 -0.014 0.000 2.544 178 G HA2 0.523 4.430 3.960 -0.089 0.000 0.242 178 G HA3 0.523 4.430 3.960 -0.089 0.000 0.242 178 G C -0.126 174.723 174.900 -0.084 0.000 1.247 178 G CA 0.064 45.146 45.100 -0.030 0.000 0.840 178 G HN 0.951 nan 8.290 nan 0.000 0.578 179 L N 1.938 123.105 121.223 -0.094 0.000 2.372 179 L HA 0.438 4.724 4.340 -0.089 0.000 0.274 179 L C -0.065 176.710 176.870 -0.159 0.000 0.988 179 L CA -0.406 54.300 54.840 -0.223 0.000 0.833 179 L CB 1.413 43.357 42.059 -0.192 0.000 1.236 179 L HN 0.450 nan 8.230 nan 0.000 0.410 180 T N 7.461 121.906 114.554 -0.182 0.000 2.752 180 T HA 0.259 4.556 4.350 -0.089 0.000 0.295 180 T C -2.306 172.328 174.700 -0.110 0.000 0.923 180 T CA -0.690 61.334 62.100 -0.126 0.000 1.112 180 T CB 0.456 69.251 68.868 -0.122 0.000 0.884 180 T HN 0.471 nan 8.240 nan 0.000 0.525 181 P HA 0.099 nan 4.420 nan 0.000 0.275 181 P C 1.115 178.381 177.300 -0.057 0.000 1.228 181 P CA -0.629 62.434 63.100 -0.061 0.000 0.786 181 P CB 0.854 32.529 31.700 -0.042 0.000 0.927 182 L N 5.040 126.232 121.223 -0.052 0.000 2.030 182 L HA -0.187 4.099 4.340 -0.089 0.000 0.222 182 L C -0.857 175.988 176.870 -0.041 0.000 1.082 182 L CA 2.958 57.771 54.840 -0.046 0.000 0.785 182 L CB -2.501 39.535 42.059 -0.040 0.000 0.895 182 L HN 0.364 nan 8.230 nan 0.000 0.439 183 P HA -0.181 nan 4.420 nan 0.000 0.215 183 P C 1.601 178.878 177.300 -0.037 0.000 1.157 183 P CA 2.191 65.271 63.100 -0.034 0.000 0.868 183 P CB -0.233 31.450 31.700 -0.029 0.000 0.788 184 A N -0.186 122.610 122.820 -0.040 0.000 1.908 184 A HA -0.245 4.022 4.320 -0.089 0.000 0.218 184 A C 2.222 179.778 177.584 -0.045 0.000 1.181 184 A CA 1.649 53.661 52.037 -0.043 0.000 0.627 184 A CB -1.061 17.911 19.000 -0.047 0.000 0.818 184 A HN 0.086 nan 8.150 nan 0.000 0.445 185 R N -0.397 120.075 120.500 -0.048 0.000 2.070 185 R HA -0.110 4.176 4.340 -0.089 0.000 0.233 185 R C 2.153 178.429 176.300 -0.041 0.000 1.137 185 R CA 1.399 57.473 56.100 -0.044 0.000 0.945 185 R CB -0.337 29.938 30.300 -0.043 0.000 0.845 185 R HN 0.316 nan 8.270 nan 0.000 0.430 186 K N 0.760 121.136 120.400 -0.041 0.000 2.059 186 K HA -0.233 4.034 4.320 -0.089 0.000 0.212 186 K C 2.060 178.631 176.600 -0.048 0.000 1.050 186 K CA 1.536 57.797 56.287 -0.043 0.000 0.927 186 K CB -0.361 32.116 32.500 -0.039 0.000 0.714 186 K HN 0.186 nan 8.250 nan 0.000 0.447 187 R N 0.959 121.432 120.500 -0.045 0.000 2.070 187 R HA -0.093 4.194 4.340 -0.089 0.000 0.233 187 R C 2.544 178.812 176.300 -0.053 0.000 1.137 187 R CA 1.319 57.391 56.100 -0.047 0.000 0.945 187 R CB -0.559 29.717 30.300 -0.040 0.000 0.845 187 R HN 0.128 nan 8.270 nan 0.000 0.430 188 L N 0.716 121.910 121.223 -0.048 0.000 2.013 188 L HA -0.196 4.091 4.340 -0.089 0.000 0.212 188 L C 2.292 179.127 176.870 -0.058 0.000 1.073 188 L CA 1.419 56.230 54.840 -0.048 0.000 0.753 188 L CB -0.416 41.618 42.059 -0.041 0.000 0.890 188 L HN 0.380 nan 8.230 nan 0.000 0.432 189 L N -0.727 120.460 121.223 -0.059 0.000 2.046 189 L HA -0.222 4.065 4.340 -0.089 0.000 0.208 189 L C 2.476 179.264 176.870 -0.137 0.000 1.077 189 L CA 1.691 56.483 54.840 -0.081 0.000 0.747 189 L CB -0.809 41.215 42.059 -0.059 0.000 0.896 189 L HN 0.338 nan 8.230 nan 0.000 0.432 190 Q N -0.767 118.968 119.800 -0.109 0.000 2.181 190 Q HA -0.200 4.086 4.340 -0.089 0.000 0.205 190 Q C 2.194 178.116 176.000 -0.129 0.000 0.980 190 Q CA 2.052 57.784 55.803 -0.118 0.000 0.862 190 Q CB -0.366 28.323 28.738 -0.082 0.000 0.905 190 Q HN 0.614 nan 8.270 nan 0.000 0.429 191 M N -0.239 119.297 119.600 -0.107 0.000 2.236 191 M HA -0.098 4.329 4.480 -0.089 0.000 0.266 191 M C 2.194 178.424 176.300 -0.117 0.000 1.070 191 M CA 1.003 56.246 55.300 -0.094 0.000 1.137 191 M CB -0.038 32.524 32.600 -0.065 0.000 1.378 191 M HN 0.132 nan 8.290 nan 0.000 0.426 192 V N -2.496 117.333 119.914 -0.142 0.000 2.788 192 V HA -0.060 4.007 4.120 -0.089 0.000 0.251 192 V C 1.943 177.826 176.094 -0.351 0.000 1.068 192 V CA 1.079 63.289 62.300 -0.150 0.000 1.090 192 V CB -0.591 31.200 31.823 -0.053 0.000 0.710 192 V HN 0.414 nan 8.190 nan 0.000 0.467 193 M N 0.285 119.556 119.600 -0.548 0.000 2.200 193 M HA -0.070 4.356 4.480 -0.089 0.000 0.265 193 M C 2.323 178.396 176.300 -0.378 0.000 1.066 193 M CA 2.044 56.844 55.300 -0.833 0.000 1.127 193 M CB -0.383 31.813 32.600 -0.672 0.000 1.379 193 M HN 0.525 nan 8.290 nan 0.000 0.420 194 E N 0.522 120.582 120.200 -0.233 0.000 2.268 194 E HA -0.170 4.127 4.350 -0.089 0.000 0.195 194 E C 1.382 177.926 176.600 -0.095 0.000 0.995 194 E CA 0.917 57.237 56.400 -0.133 0.000 0.836 194 E CB 0.285 29.925 29.700 -0.100 0.000 0.763 194 E HN 0.352 nan 8.360 nan 0.000 0.491 195 R N -1.135 119.305 120.500 -0.099 0.000 2.577 195 R HA 0.142 4.429 4.340 -0.089 0.000 0.344 195 R C 0.248 176.545 176.300 -0.005 0.000 1.037 195 R CA 0.465 56.538 56.100 -0.045 0.000 1.102 195 R CB 0.921 31.198 30.300 -0.038 0.000 1.313 195 R HN 0.187 nan 8.270 nan 0.000 0.561 196 G N 2.026 110.831 108.800 0.008 0.000 2.412 196 G HA2 -0.280 3.626 3.960 -0.089 0.000 0.297 196 G HA3 -0.280 3.626 3.960 -0.089 0.000 0.297 196 G C -0.144 174.860 174.900 0.174 0.000 0.965 196 G CA 0.466 45.664 45.100 0.164 0.000 1.134 196 G HN 0.199 nan 8.290 nan 0.000 0.511 197 L N -0.995 120.331 121.223 0.172 0.000 2.352 197 L HA 0.643 4.929 4.340 -0.089 0.000 0.269 197 L C 0.733 177.700 176.870 0.162 0.000 1.034 197 L CA -1.375 53.536 54.840 0.117 0.000 0.806 197 L CB 1.754 43.842 42.059 0.048 0.000 1.244 197 L HN -0.030 nan 8.230 nan 0.000 0.447 198 V N 2.086 122.034 119.914 0.056 0.000 2.539 198 V HA 0.379 4.446 4.120 -0.089 0.000 0.292 198 V C -0.110 176.007 176.094 0.038 0.000 1.045 198 V CA -0.530 61.761 62.300 -0.015 0.000 0.945 198 V CB 1.936 33.614 31.823 -0.240 0.000 0.993 198 V HN 0.395 nan 8.190 nan 0.000 0.464 199 V N 5.022 124.958 119.914 0.036 0.000 2.483 199 V HA 0.357 4.423 4.120 -0.089 0.000 0.297 199 V C -0.335 175.783 176.094 0.040 0.000 1.027 199 V CA -0.565 61.779 62.300 0.074 0.000 0.855 199 V CB 2.137 34.016 31.823 0.093 0.000 0.995 199 V HN 0.606 nan 8.190 nan 0.000 0.424 200 V N 4.797 124.748 119.914 0.062 0.000 2.348 200 V HA 0.329 4.395 4.120 -0.089 0.000 0.270 200 V C 0.252 176.385 176.094 0.066 0.000 1.037 200 V CA -0.336 61.993 62.300 0.049 0.000 0.872 200 V CB 1.257 33.121 31.823 0.068 0.000 1.002 200 V HN 0.939 nan 8.190 nan 0.000 0.464 201 E N 4.020 124.233 120.200 0.022 0.000 2.109 201 E HA 0.222 4.519 4.350 -0.089 0.000 0.278 201 E C -0.922 175.563 176.600 -0.191 0.000 0.954 201 E CA -0.607 55.758 56.400 -0.059 0.000 0.779 201 E CB 0.955 30.694 29.700 0.065 0.000 1.093 201 E HN 0.651 nan 8.360 nan 0.000 0.401 202 D N 4.167 124.437 120.400 -0.218 0.000 2.359 202 D HA 0.113 4.699 4.640 -0.089 0.000 0.230 202 D C -0.943 175.185 176.300 -0.286 0.000 1.118 202 D CA -0.357 53.509 54.000 -0.224 0.000 0.844 202 D CB 1.200 41.964 40.800 -0.059 0.000 1.059 202 D HN 0.374 nan 8.370 nan 0.000 0.493 203 D N 2.633 122.768 120.400 -0.443 0.000 3.035 203 D HA 0.278 4.864 4.640 -0.089 0.000 0.290 203 D C 1.276 177.400 176.300 -0.293 0.000 1.360 203 D CA -0.287 53.519 54.000 -0.323 0.000 0.862 203 D CB 0.448 41.021 40.800 -0.377 0.000 1.078 203 D HN 0.437 nan 8.370 nan 0.000 0.487 204 A N -0.294 122.313 122.820 -0.355 0.000 1.978 204 A HA -0.204 4.062 4.320 -0.089 0.000 0.220 204 A C 0.965 178.191 177.584 -0.596 0.000 1.170 204 A CA 1.205 52.920 52.037 -0.537 0.000 0.636 204 A CB -0.476 18.067 19.000 -0.761 0.000 0.810 204 A HN 0.408 nan 8.150 nan 0.000 0.448 205 Y N -0.969 119.324 120.300 -0.012 0.000 2.658 205 Y HA 0.239 4.738 4.550 -0.085 0.000 0.276 205 Y C 1.745 177.746 175.900 0.168 0.000 1.167 205 Y CA -0.225 57.916 58.100 0.069 0.000 1.230 205 Y CB -0.315 38.235 38.460 0.151 0.000 1.144 205 Y HN 0.360 nan 8.280 nan 0.000 0.529 206 R N 1.301 121.914 120.500 0.188 0.000 2.143 206 R HA -0.223 4.064 4.340 -0.089 0.000 0.239 206 R C 0.916 177.427 176.300 0.353 0.000 1.126 206 R CA 2.354 58.600 56.100 0.244 0.000 0.927 206 R CB -0.029 30.376 30.300 0.175 0.000 0.860 206 R HN 0.251 nan 8.270 nan 0.000 0.433 207 E N 0.412 120.776 120.200 0.272 0.000 2.494 207 E HA -0.026 4.270 4.350 -0.089 0.000 0.193 207 E C 0.276 176.780 176.600 -0.160 0.000 1.074 207 E CA 0.230 56.704 56.400 0.122 0.000 0.867 207 E CB 0.312 30.111 29.700 0.165 0.000 0.924 207 E HN 0.314 nan 8.360 nan 0.000 0.502 208 L N 1.520 122.710 121.223 -0.054 0.000 3.036 208 L HA 0.109 4.396 4.340 -0.089 0.000 0.237 208 L C -0.320 176.255 176.870 -0.492 0.000 1.319 208 L CA -0.462 54.248 54.840 -0.217 0.000 1.112 208 L CB -0.808 41.147 42.059 -0.172 0.000 1.480 208 L HN 0.021 nan 8.230 nan 0.000 0.506 209 Y N -3.506 116.693 120.300 -0.168 0.000 2.316 209 Y HA 0.398 4.897 4.550 -0.085 0.000 0.331 209 Y C 0.703 176.530 175.900 -0.122 0.000 1.083 209 Y CA -1.309 56.589 58.100 -0.337 0.000 1.206 209 Y CB 0.026 38.572 38.460 0.144 0.000 1.195 209 Y HN 0.025 nan 8.280 nan 0.000 0.497 210 F N 2.089 122.027 119.950 -0.020 0.000 2.748 210 F HA 0.221 4.692 4.527 -0.092 0.000 0.299 210 F C 1.628 177.509 175.800 0.135 0.000 1.154 210 F CA -0.347 57.669 58.000 0.026 0.000 1.446 210 F CB -0.964 38.020 39.000 -0.027 0.000 1.112 210 F HN 0.787 nan 8.300 nan 0.000 0.584 211 G N 0.722 109.743 108.800 0.368 0.000 2.546 211 G HA2 0.218 4.124 3.960 -0.089 0.000 0.239 211 G HA3 0.218 4.124 3.960 -0.089 0.000 0.239 211 G C 0.580 175.668 174.900 0.314 0.000 1.476 211 G CA 0.113 45.375 45.100 0.269 0.000 1.064 211 G HN 0.398 nan 8.290 nan 0.000 0.561 212 E N -1.580 118.721 120.200 0.167 0.000 2.693 212 E HA 0.557 4.854 4.350 -0.089 0.000 0.214 212 E C 0.001 176.596 176.600 -0.007 0.000 0.990 212 E CA -0.101 56.395 56.400 0.161 0.000 1.047 212 E CB 0.687 30.453 29.700 0.110 0.000 1.039 212 E HN 0.584 nan 8.360 nan 0.000 0.475 213 A N 1.284 123.919 122.820 -0.309 0.000 2.540 213 A HA 0.511 4.778 4.320 -0.089 0.000 0.297 213 A C -1.251 175.832 177.584 -0.835 0.000 1.056 213 A CA -0.854 50.898 52.037 -0.475 0.000 0.700 213 A CB 1.439 20.326 19.000 -0.190 0.000 1.280 213 A HN 0.199 nan 8.150 nan 0.000 0.398 214 R N 2.232 122.252 120.500 -0.800 0.000 2.441 214 R HA 0.607 4.893 4.340 -0.089 0.000 0.284 214 R C -0.952 175.235 176.300 -0.188 0.000 1.070 214 R CA -0.475 55.349 56.100 -0.461 0.000 1.047 214 R CB 0.475 30.733 30.300 -0.070 0.000 1.016 214 R HN 0.717 nan 8.270 nan 0.000 0.477 215 L N 5.710 126.867 121.223 -0.110 0.000 2.350 215 L HA 0.340 4.626 4.340 -0.089 0.000 0.275 215 L C -1.827 175.014 176.870 -0.048 0.000 1.099 215 L CA -2.184 52.608 54.840 -0.082 0.000 0.808 215 L CB 1.318 43.321 42.059 -0.093 0.000 1.149 215 L HN 0.563 nan 8.230 nan 0.000 0.442 216 P HA -0.056 nan 4.420 nan 0.000 0.261 216 P C -0.593 176.702 177.300 -0.008 0.000 1.173 216 P CA 0.112 63.198 63.100 -0.024 0.000 0.760 216 P CB 0.381 32.065 31.700 -0.028 0.000 0.783 217 S N 2.817 118.527 115.700 0.017 0.000 2.617 217 S HA 0.169 4.586 4.470 -0.089 0.000 0.269 217 S C 1.116 175.761 174.600 0.076 0.000 1.292 217 S CA -0.641 57.601 58.200 0.070 0.000 1.010 217 S CB 0.476 63.755 63.200 0.130 0.000 0.944 217 S HN 0.170 nan 8.310 nan 0.000 0.536 218 L N 0.639 121.926 121.223 0.105 0.000 2.127 218 L HA 0.054 4.341 4.340 -0.089 0.000 0.211 218 L C 1.956 178.898 176.870 0.119 0.000 1.089 218 L CA 1.471 56.364 54.840 0.089 0.000 0.757 218 L CB -1.260 40.853 42.059 0.091 0.000 0.899 218 L HN 0.888 nan 8.230 nan 0.000 0.434 219 F N 0.049 120.022 119.950 0.038 0.000 2.234 219 F HA -0.155 4.321 4.527 -0.085 0.000 0.299 219 F C 2.316 178.073 175.800 -0.072 0.000 1.087 219 F CA 1.371 59.363 58.000 -0.013 0.000 1.340 219 F CB 0.079 39.019 39.000 -0.099 0.000 1.031 219 F HN 0.162 nan 8.300 nan 0.000 0.500 220 E N -0.214 120.013 120.200 0.045 0.000 2.051 220 E HA -0.143 4.153 4.350 -0.089 0.000 0.189 220 E C 2.132 178.685 176.600 -0.077 0.000 0.979 220 E CA 0.784 57.163 56.400 -0.034 0.000 0.803 220 E CB -0.142 29.555 29.700 -0.006 0.000 0.761 220 E HN 0.232 nan 8.360 nan 0.000 0.451 221 L N 0.752 121.948 121.223 -0.046 0.000 2.083 221 L HA -0.132 4.154 4.340 -0.089 0.000 0.209 221 L C 2.309 179.141 176.870 -0.063 0.000 1.083 221 L CA 1.646 56.458 54.840 -0.047 0.000 0.752 221 L CB -1.517 40.524 42.059 -0.030 0.000 0.899 221 L HN 0.089 nan 8.230 nan 0.000 0.433 222 A N -0.121 122.651 122.820 -0.080 0.000 1.841 222 A HA -0.224 4.042 4.320 -0.089 0.000 0.214 222 A C 2.508 180.007 177.584 -0.141 0.000 1.195 222 A CA 1.509 53.506 52.037 -0.067 0.000 0.611 222 A CB -0.597 18.381 19.000 -0.038 0.000 0.835 222 A HN 0.357 nan 8.150 nan 0.000 0.443 223 R N -0.009 120.298 120.500 -0.321 0.000 2.133 223 R HA -0.241 4.045 4.340 -0.089 0.000 0.247 223 R C 2.063 178.271 176.300 -0.152 0.000 1.151 223 R CA 2.141 58.052 56.100 -0.314 0.000 0.971 223 R CB -0.355 29.671 30.300 -0.457 0.000 0.866 223 R HN 0.700 nan 8.270 nan 0.000 0.447 224 E N -0.579 119.549 120.200 -0.120 0.000 2.150 224 E HA -0.142 4.155 4.350 -0.089 0.000 0.193 224 E C 1.615 178.186 176.600 -0.049 0.000 0.985 224 E CA 1.036 57.394 56.400 -0.070 0.000 0.814 224 E CB -0.044 29.622 29.700 -0.058 0.000 0.752 224 E HN 0.546 nan 8.360 nan 0.000 0.466 225 A N -0.322 122.472 122.820 -0.044 0.000 2.067 225 A HA 0.191 4.457 4.320 -0.089 0.000 0.217 225 A C 1.894 179.477 177.584 -0.002 0.000 1.156 225 A CA 1.222 53.246 52.037 -0.022 0.000 0.683 225 A CB -0.188 18.801 19.000 -0.018 0.000 0.808 225 A HN 0.488 nan 8.150 nan 0.000 0.455 226 G N -2.830 105.965 108.800 -0.008 0.000 2.218 226 G HA2 -0.274 3.632 3.960 -0.089 0.000 0.216 226 G HA3 -0.274 3.632 3.960 -0.089 0.000 0.216 226 G C 0.097 175.017 174.900 0.035 0.000 0.994 226 G CA 0.169 45.270 45.100 0.003 0.000 0.637 226 G HN 0.685 nan 8.290 nan 0.000 0.505 227 Y N 3.602 123.848 120.300 -0.090 0.000 2.465 227 Y HA 0.509 5.006 4.550 -0.089 0.000 0.331 227 Y C -1.470 174.366 175.900 -0.106 0.000 1.102 227 Y CA -1.240 56.807 58.100 -0.089 0.000 1.358 227 Y CB 1.440 39.851 38.460 -0.081 0.000 1.213 227 Y HN 0.059 nan 8.280 nan 0.000 0.525 228 P HA 0.226 nan 4.420 nan 0.000 0.257 228 P C 0.325 177.281 177.300 -0.573 0.000 1.737 228 P CA 0.150 62.986 63.100 -0.440 0.000 1.130 228 P CB 0.263 31.749 31.700 -0.358 0.000 1.572 229 G N -0.227 107.986 108.800 -0.979 0.000 3.284 229 G HA2 0.219 4.126 3.960 -0.089 0.000 0.236 229 G HA3 0.219 4.126 3.960 -0.089 0.000 0.236 229 G C 0.142 174.969 174.900 -0.122 0.000 1.158 229 G CA 0.070 44.821 45.100 -0.582 0.000 0.774 229 G HN 0.165 nan 8.290 nan 0.000 0.545 230 V N 1.451 121.347 119.914 -0.030 0.000 2.435 230 V HA 0.437 4.504 4.120 -0.089 0.000 0.290 230 V C -0.227 176.015 176.094 0.246 0.000 1.030 230 V CA -0.753 61.628 62.300 0.135 0.000 0.881 230 V CB 1.906 33.856 31.823 0.211 0.000 0.983 230 V HN 0.113 nan 8.190 nan 0.000 0.445 231 I N 4.914 125.590 120.570 0.177 0.000 2.371 231 I HA 0.276 4.392 4.170 -0.089 0.000 0.282 231 I C -0.794 175.420 176.117 0.161 0.000 1.031 231 I CA -0.547 60.854 61.300 0.168 0.000 1.180 231 I CB 0.689 38.728 38.000 0.065 0.000 1.336 231 I HN 0.611 nan 8.210 nan 0.000 0.467 232 Y N 7.572 127.881 120.300 0.015 0.000 2.436 232 Y HA 0.356 4.851 4.550 -0.091 0.000 0.336 232 Y C -0.537 175.274 175.900 -0.150 0.000 1.049 232 Y CA -0.034 57.988 58.100 -0.131 0.000 1.294 232 Y CB 0.483 38.647 38.460 -0.493 0.000 1.179 232 Y HN 0.368 nan 8.280 nan 0.000 0.520 233 L N 6.510 127.403 121.223 -0.549 0.000 2.295 233 L HA 0.687 4.974 4.340 -0.089 0.000 0.285 233 L C 0.393 176.724 176.870 -0.899 0.000 1.035 233 L CA -0.728 53.798 54.840 -0.523 0.000 0.806 233 L CB 1.471 43.361 42.059 -0.282 0.000 1.214 233 L HN 0.834 nan 8.230 nan 0.000 0.426 234 G N 0.834 108.995 108.800 -1.065 0.000 2.620 234 G HA2 0.556 4.463 3.960 -0.089 0.000 0.301 234 G HA3 0.556 4.463 3.960 -0.089 0.000 0.301 234 G C -1.496 172.634 174.900 -1.284 0.000 1.347 234 G CA -0.265 44.036 45.100 -1.331 0.000 0.971 234 G HN 0.486 nan 8.290 nan 0.000 0.488 235 S N -0.556 114.702 115.700 -0.737 0.000 2.709 235 S HA 0.763 5.180 4.470 -0.089 0.000 0.302 235 S C -0.855 173.590 174.600 -0.257 0.000 1.127 235 S CA -0.602 57.339 58.200 -0.431 0.000 0.905 235 S CB 1.312 64.363 63.200 -0.249 0.000 1.151 235 S HN 0.381 nan 8.310 nan 0.000 0.510 236 F N 0.955 120.993 119.950 0.147 0.000 2.729 236 F HA 0.388 4.883 4.527 -0.053 0.000 0.315 236 F C 1.979 177.863 175.800 0.140 0.000 1.102 236 F CA -0.232 57.901 58.000 0.222 0.000 1.204 236 F CB 0.347 39.484 39.000 0.228 0.000 1.052 236 F HN 0.465 nan 8.300 nan 0.000 0.551 237 S N -0.296 115.526 115.700 0.205 0.000 2.461 237 S HA -0.034 4.383 4.470 -0.089 0.000 0.228 237 S C 1.809 176.508 174.600 0.164 0.000 1.005 237 S CA 0.886 59.176 58.200 0.150 0.000 0.942 237 S CB 0.009 63.252 63.200 0.072 0.000 0.776 237 S HN 0.169 nan 8.310 nan 0.000 0.514 238 K N 1.113 121.581 120.400 0.113 0.000 2.358 238 K HA 0.234 4.500 4.320 -0.089 0.000 0.200 238 K C 1.076 177.785 176.600 0.182 0.000 1.030 238 K CA 0.345 56.687 56.287 0.092 0.000 1.097 238 K CB 0.820 33.249 32.500 -0.119 0.000 0.862 238 K HN 0.446 nan 8.250 nan 0.000 0.534 239 V N -3.710 116.366 119.914 0.270 0.000 3.411 239 V HA 0.321 4.388 4.120 -0.089 0.000 0.287 239 V C 1.167 177.470 176.094 0.348 0.000 1.543 239 V CA -0.226 62.258 62.300 0.308 0.000 1.028 239 V CB -0.006 32.024 31.823 0.346 0.000 0.840 239 V HN 0.083 nan 8.190 nan 0.000 0.435 240 L N -0.363 121.072 121.223 0.354 0.000 2.923 240 L HA 0.614 4.901 4.340 -0.089 0.000 0.161 240 L C 0.206 177.235 176.870 0.265 0.000 1.202 240 L CA 0.933 55.942 54.840 0.281 0.000 0.920 240 L CB 1.383 43.557 42.059 0.192 0.000 1.773 240 L HN 0.330 nan 8.230 nan 0.000 0.532 241 S N -0.015 115.777 115.700 0.153 0.000 2.592 241 S HA 0.393 4.809 4.470 -0.089 0.000 0.275 241 S C -2.438 172.161 174.600 -0.003 0.000 1.169 241 S CA -0.922 57.228 58.200 -0.083 0.000 0.958 241 S CB 1.794 64.818 63.200 -0.293 0.000 1.095 241 S HN 0.111 nan 8.310 nan 0.000 0.471 242 P HA 0.132 nan 4.420 nan 0.000 0.220 242 P C 1.422 178.725 177.300 0.006 0.000 1.152 242 P CA 1.055 64.194 63.100 0.064 0.000 0.812 242 P CB -0.233 31.547 31.700 0.133 0.000 0.792 243 G N 0.237 108.989 108.800 -0.080 0.000 2.598 243 G HA2 -0.098 3.809 3.960 -0.089 0.000 0.215 243 G HA3 -0.098 3.809 3.960 -0.089 0.000 0.215 243 G C 1.540 176.402 174.900 -0.063 0.000 1.131 243 G CA 0.014 45.070 45.100 -0.074 0.000 0.785 243 G HN 0.219 nan 8.290 nan 0.000 0.539 244 L N -0.419 120.767 121.223 -0.062 0.000 2.395 244 L HA 0.104 4.391 4.340 -0.089 0.000 0.218 244 L C 0.840 177.715 176.870 0.009 0.000 1.130 244 L CA -0.198 54.619 54.840 -0.038 0.000 0.826 244 L CB -0.048 41.985 42.059 -0.044 0.000 0.941 244 L HN 0.124 nan 8.230 nan 0.000 0.451 245 R N -0.010 120.509 120.500 0.031 0.000 3.188 245 R HA -0.136 4.150 4.340 -0.089 0.000 0.247 245 R C -1.048 175.306 176.300 0.090 0.000 0.918 245 R CA 0.235 56.367 56.100 0.053 0.000 0.629 245 R CB -2.818 27.500 30.300 0.029 0.000 1.087 245 R HN 0.089 nan 8.270 nan 0.000 0.462 246 V N -0.264 119.741 119.914 0.152 0.000 2.443 246 V HA 0.863 4.929 4.120 -0.089 0.000 0.293 246 V C 0.456 176.784 176.094 0.391 0.000 1.021 246 V CA -0.091 62.358 62.300 0.248 0.000 0.848 246 V CB 1.885 33.842 31.823 0.223 0.000 0.998 246 V HN 0.623 nan 8.190 nan 0.000 0.424 247 A N 4.704 127.707 122.820 0.305 0.000 2.535 247 A HA 1.097 5.364 4.320 -0.089 0.000 0.296 247 A C -1.353 176.379 177.584 0.246 0.000 1.248 247 A CA -0.571 51.561 52.037 0.158 0.000 0.686 247 A CB 2.055 21.011 19.000 -0.072 0.000 1.315 247 A HN 1.256 nan 8.150 nan 0.000 0.460 248 F N -3.371 116.602 119.950 0.037 0.000 2.686 248 F HA 0.883 5.351 4.527 -0.099 0.000 0.311 248 F C -0.430 175.364 175.800 -0.010 0.000 1.128 248 F CA -0.853 57.175 58.000 0.047 0.000 0.946 248 F CB 1.472 40.522 39.000 0.083 0.000 1.336 248 F HN 1.080 nan 8.300 nan 0.000 0.457 249 A N 1.366 124.328 122.820 0.236 0.000 2.359 249 A HA 0.767 5.033 4.320 -0.089 0.000 0.303 249 A C -1.875 175.818 177.584 0.182 0.000 1.066 249 A CA -0.836 51.275 52.037 0.123 0.000 0.730 249 A CB 1.476 20.521 19.000 0.075 0.000 1.211 249 A HN 0.827 nan 8.150 nan 0.000 0.439 250 V N 1.647 121.646 119.914 0.141 0.000 2.384 250 V HA 0.834 4.900 4.120 -0.089 0.000 0.287 250 V C 0.399 176.547 176.094 0.090 0.000 1.020 250 V CA 0.363 62.689 62.300 0.043 0.000 0.850 250 V CB 0.894 32.591 31.823 -0.209 0.000 0.987 250 V HN 1.506 nan 8.190 nan 0.000 0.436 251 A N 2.988 125.903 122.820 0.158 0.000 2.557 251 A HA 0.620 4.887 4.320 -0.089 0.000 0.292 251 A C -0.848 176.865 177.584 0.215 0.000 1.139 251 A CA -0.655 51.525 52.037 0.239 0.000 0.665 251 A CB 1.205 20.319 19.000 0.190 0.000 1.285 251 A HN 0.840 nan 8.150 nan 0.000 0.433 252 H N 0.506 119.651 119.070 0.125 0.000 2.815 252 H HA 0.127 4.630 4.556 -0.089 0.000 0.350 252 H C -1.690 173.673 175.328 0.058 0.000 1.080 252 H CA -0.571 55.518 56.048 0.068 0.000 1.433 252 H CB 1.209 30.980 29.762 0.016 0.000 1.432 252 H HN 0.202 nan 8.280 nan 0.000 0.592 253 P HA -0.234 nan 4.420 nan 0.000 0.217 253 P C 1.223 178.498 177.300 -0.042 0.000 1.162 253 P CA 1.936 64.897 63.100 -0.232 0.000 0.901 253 P CB 0.114 31.611 31.700 -0.338 0.000 0.793 254 E N -1.193 119.060 120.200 0.090 0.000 2.268 254 E HA -0.133 4.163 4.350 -0.089 0.000 0.195 254 E C 1.736 178.413 176.600 0.128 0.000 0.995 254 E CA 0.951 57.440 56.400 0.149 0.000 0.836 254 E CB -0.312 29.521 29.700 0.221 0.000 0.763 254 E HN 0.137 nan 8.360 nan 0.000 0.491 255 A N 0.311 123.238 122.820 0.177 0.000 2.095 255 A HA 0.080 4.346 4.320 -0.089 0.000 0.212 255 A C 1.954 179.591 177.584 0.089 0.000 1.162 255 A CA -0.077 52.045 52.037 0.142 0.000 0.753 255 A CB -0.097 19.042 19.000 0.233 0.000 0.840 255 A HN 0.284 nan 8.150 nan 0.000 0.468 256 L N -0.938 120.332 121.223 0.079 0.000 2.072 256 L HA -0.147 4.140 4.340 -0.089 0.000 0.205 256 L C 2.737 179.624 176.870 0.028 0.000 1.079 256 L CA 1.059 55.932 54.840 0.054 0.000 0.752 256 L CB -0.264 41.820 42.059 0.042 0.000 0.906 256 L HN 0.381 nan 8.230 nan 0.000 0.436 257 Q N 0.121 119.932 119.800 0.017 0.000 2.061 257 Q HA -0.235 4.052 4.340 -0.089 0.000 0.204 257 Q C 2.169 178.164 176.000 -0.008 0.000 0.984 257 Q CA 1.422 57.228 55.803 0.005 0.000 0.846 257 Q CB -0.184 28.556 28.738 0.003 0.000 0.902 257 Q HN 0.307 nan 8.270 nan 0.000 0.421 258 K N 0.574 120.960 120.400 -0.024 0.000 2.103 258 K HA -0.068 4.199 4.320 -0.089 0.000 0.207 258 K C 2.248 178.812 176.600 -0.060 0.000 1.048 258 K CA 0.703 56.954 56.287 -0.060 0.000 0.930 258 K CB -0.394 32.035 32.500 -0.117 0.000 0.716 258 K HN 0.254 nan 8.250 nan 0.000 0.444 259 L N 0.328 121.528 121.223 -0.037 0.000 2.093 259 L HA -0.141 4.145 4.340 -0.089 0.000 0.208 259 L C 2.340 179.213 176.870 0.006 0.000 1.085 259 L CA 0.586 55.418 54.840 -0.015 0.000 0.755 259 L CB -0.440 41.633 42.059 0.022 0.000 0.904 259 L HN -0.130 nan 8.230 nan 0.000 0.435 260 V N -0.425 119.496 119.914 0.013 0.000 2.307 260 V HA -0.292 3.775 4.120 -0.089 0.000 0.245 260 V C 2.392 178.493 176.094 0.012 0.000 1.045 260 V CA 1.681 63.995 62.300 0.022 0.000 1.024 260 V CB -0.608 31.228 31.823 0.022 0.000 0.651 260 V HN 0.495 nan 8.190 nan 0.000 0.449 261 Q N -0.097 119.702 119.800 -0.002 0.000 2.170 261 Q HA -0.116 4.171 4.340 -0.089 0.000 0.203 261 Q C 2.356 178.351 176.000 -0.009 0.000 0.976 261 Q CA 1.610 57.409 55.803 -0.008 0.000 0.858 261 Q CB -0.359 28.369 28.738 -0.017 0.000 0.907 261 Q HN 0.687 nan 8.270 nan 0.000 0.433 262 A N 1.418 124.229 122.820 -0.014 0.000 1.930 262 A HA -0.165 4.101 4.320 -0.089 0.000 0.215 262 A C 1.997 179.583 177.584 0.004 0.000 1.176 262 A CA 1.305 53.334 52.037 -0.013 0.000 0.632 262 A CB -0.309 18.675 19.000 -0.026 0.000 0.819 262 A HN 0.204 nan 8.150 nan 0.000 0.445 263 K N -0.027 120.381 120.400 0.014 0.000 2.057 263 K HA -0.220 4.046 4.320 -0.089 0.000 0.207 263 K C 2.117 178.733 176.600 0.027 0.000 1.049 263 K CA 1.710 58.013 56.287 0.027 0.000 0.931 263 K CB -0.237 32.288 32.500 0.043 0.000 0.714 263 K HN 0.646 nan 8.250 nan 0.000 0.440 264 Q N -0.537 119.279 119.800 0.025 0.000 2.096 264 Q HA -0.119 4.168 4.340 -0.089 0.000 0.204 264 Q C 2.132 178.139 176.000 0.012 0.000 0.982 264 Q CA 1.460 57.276 55.803 0.023 0.000 0.850 264 Q CB -0.248 28.497 28.738 0.012 0.000 0.901 264 Q HN 0.513 nan 8.270 nan 0.000 0.422 265 G N 0.282 109.086 108.800 0.007 0.000 2.598 265 G HA2 0.001 3.907 3.960 -0.089 0.000 0.215 265 G HA3 0.001 3.907 3.960 -0.089 0.000 0.215 265 G C 1.309 176.214 174.900 0.008 0.000 1.131 265 G CA 0.666 45.769 45.100 0.005 0.000 0.785 265 G HN 0.380 nan 8.290 nan 0.000 0.539 266 A N 1.222 124.048 122.820 0.010 0.000 1.861 266 A HA 0.237 4.504 4.320 -0.089 0.000 0.212 266 A C 1.650 179.237 177.584 0.005 0.000 1.199 266 A CA 1.899 53.941 52.037 0.009 0.000 0.613 266 A CB 0.152 19.160 19.000 0.012 0.000 0.846 266 A HN 0.398 nan 8.150 nan 0.000 0.446 267 D N -3.200 117.202 120.400 0.004 0.000 2.583 267 D HA 0.268 4.855 4.640 -0.089 0.000 0.282 267 D C 0.615 176.902 176.300 -0.022 0.000 1.485 267 D CA 0.259 54.250 54.000 -0.015 0.000 0.834 267 D CB -0.601 40.179 40.800 -0.033 0.000 1.258 267 D HN 0.281 nan 8.370 nan 0.000 0.470 268 L N -0.403 120.832 121.223 0.020 0.000 2.848 268 L HA -0.298 3.989 4.340 -0.089 0.000 0.400 268 L C 0.187 177.151 176.870 0.156 0.000 2.308 268 L CA 2.144 57.027 54.840 0.070 0.000 2.916 268 L CB -1.511 40.614 42.059 0.109 0.000 1.824 268 L HN 0.710 nan 8.230 nan 0.000 0.807 269 H N -2.052 117.065 119.070 0.078 0.000 3.003 269 H HA 0.388 4.889 4.556 -0.092 0.000 0.327 269 H C -1.095 174.281 175.328 0.081 0.000 1.353 269 H CA -0.156 55.940 56.048 0.081 0.000 1.142 269 H CB 1.257 31.077 29.762 0.098 0.000 1.864 269 H HN -0.039 nan 8.280 nan 0.000 0.529 270 T N 4.472 119.124 114.554 0.164 0.000 2.884 270 T HA 0.183 4.480 4.350 -0.089 0.000 0.298 270 T C -2.327 172.465 174.700 0.153 0.000 0.998 270 T CA -0.932 61.223 62.100 0.092 0.000 1.124 270 T CB 0.629 69.577 68.868 0.134 0.000 0.931 270 T HN 0.374 nan 8.240 nan 0.000 0.531 271 P HA -0.067 nan 4.420 nan 0.000 0.255 271 P C 0.536 177.906 177.300 0.116 0.000 1.161 271 P CA 0.157 63.296 63.100 0.066 0.000 0.768 271 P CB 0.359 32.059 31.700 -0.000 0.000 0.746 272 M N 5.078 124.782 119.600 0.174 0.000 2.374 272 M HA -0.106 4.321 4.480 -0.089 0.000 0.264 272 M C 1.617 177.877 176.300 -0.067 0.000 1.067 272 M CA 1.353 56.686 55.300 0.056 0.000 1.103 272 M CB -0.596 32.023 32.600 0.032 0.000 1.402 272 M HN 0.285 nan 8.290 nan 0.000 0.444 273 L N -0.055 121.141 121.223 -0.046 0.000 2.027 273 L HA -0.220 4.067 4.340 -0.089 0.000 0.206 273 L C 1.610 178.415 176.870 -0.107 0.000 1.074 273 L CA 2.012 56.798 54.840 -0.089 0.000 0.745 273 L CB -1.087 40.937 42.059 -0.060 0.000 0.898 273 L HN 0.492 nan 8.230 nan 0.000 0.433 274 N N -0.458 118.202 118.700 -0.066 0.000 2.142 274 N HA -0.222 4.464 4.740 -0.089 0.000 0.186 274 N C 1.682 177.142 175.510 -0.083 0.000 1.023 274 N CA 1.228 54.239 53.050 -0.066 0.000 0.852 274 N CB -0.063 38.408 38.487 -0.026 0.000 0.998 274 N HN 0.563 nan 8.380 nan 0.000 0.424 275 Q N 0.773 120.535 119.800 -0.063 0.000 2.050 275 Q HA -0.060 4.226 4.340 -0.089 0.000 0.202 275 Q C 2.119 178.014 176.000 -0.174 0.000 0.980 275 Q CA 1.308 57.083 55.803 -0.047 0.000 0.840 275 Q CB -0.116 28.648 28.738 0.044 0.000 0.898 275 Q HN 0.430 nan 8.270 nan 0.000 0.424 276 M N 0.107 119.466 119.600 -0.400 0.000 2.132 276 M HA -0.152 4.275 4.480 -0.089 0.000 0.263 276 M C 2.181 178.321 176.300 -0.268 0.000 1.065 276 M CA 0.917 55.853 55.300 -0.607 0.000 1.122 276 M CB -0.331 31.826 32.600 -0.738 0.000 1.365 276 M HN 0.200 nan 8.290 nan 0.000 0.411 277 L N 0.408 121.504 121.223 -0.213 0.000 1.989 277 L HA -0.114 4.173 4.340 -0.089 0.000 0.211 277 L C 2.233 178.985 176.870 -0.197 0.000 1.071 277 L CA 1.713 56.451 54.840 -0.169 0.000 0.749 277 L CB -0.864 41.113 42.059 -0.138 0.000 0.890 277 L HN 0.031 nan 8.230 nan 0.000 0.431 278 V N 0.223 120.004 119.914 -0.223 0.000 2.282 278 V HA -0.377 3.689 4.120 -0.089 0.000 0.249 278 V C 2.717 178.556 176.094 -0.424 0.000 1.057 278 V CA 2.213 64.305 62.300 -0.346 0.000 1.032 278 V CB -1.024 30.535 31.823 -0.440 0.000 0.645 278 V HN 0.727 nan 8.190 nan 0.000 0.447 279 H N -0.325 118.508 119.070 -0.394 0.000 2.352 279 H HA -0.163 4.339 4.556 -0.091 0.000 0.299 279 H C 2.370 177.469 175.328 -0.382 0.000 1.097 279 H CA 1.755 57.549 56.048 -0.423 0.000 1.311 279 H CB 0.182 29.879 29.762 -0.109 0.000 1.377 279 H HN 0.391 nan 8.280 nan 0.000 0.504 280 E N 0.901 120.937 120.200 -0.273 0.000 2.085 280 E HA -0.129 4.168 4.350 -0.089 0.000 0.194 280 E C 2.654 179.068 176.600 -0.310 0.000 0.994 280 E CA 0.660 56.909 56.400 -0.252 0.000 0.801 280 E CB -0.248 29.371 29.700 -0.136 0.000 0.743 280 E HN 0.540 nan 8.360 nan 0.000 0.453 281 L N -0.265 120.774 121.223 -0.306 0.000 2.313 281 L HA -0.101 4.185 4.340 -0.089 0.000 0.214 281 L C 1.762 178.436 176.870 -0.326 0.000 1.119 281 L CA 0.267 54.954 54.840 -0.255 0.000 0.809 281 L CB -0.015 41.929 42.059 -0.193 0.000 0.933 281 L HN 0.071 nan 8.230 nan 0.000 0.449 282 L N -0.521 120.356 121.223 -0.576 0.000 2.616 282 L HA 0.018 4.304 4.340 -0.089 0.000 0.229 282 L C 2.104 178.523 176.870 -0.752 0.000 1.110 282 L CA 0.713 55.116 54.840 -0.729 0.000 0.884 282 L CB -0.130 41.203 42.059 -1.210 0.000 1.115 282 L HN 0.182 nan 8.230 nan 0.000 0.481 283 K N -0.950 119.014 120.400 -0.726 0.000 2.555 283 K HA 0.001 4.267 4.320 -0.089 0.000 0.193 283 K C 0.126 176.610 176.600 -0.193 0.000 1.032 283 K CA 0.505 56.500 56.287 -0.486 0.000 1.004 283 K CB 0.269 32.450 32.500 -0.531 0.000 0.804 283 K HN -0.009 nan 8.250 nan 0.000 0.496 284 E N 0.442 120.542 120.200 -0.168 0.000 2.210 284 E HA 0.324 4.620 4.350 -0.089 0.000 0.266 284 E C -0.505 176.104 176.600 0.016 0.000 0.883 284 E CA -0.184 56.182 56.400 -0.057 0.000 0.761 284 E CB 1.761 31.420 29.700 -0.068 0.000 1.156 284 E HN 0.299 nan 8.360 nan 0.000 0.412 285 G N 4.305 113.139 108.800 0.056 0.000 2.424 285 G HA2 -0.319 3.588 3.960 -0.089 0.000 0.290 285 G HA3 -0.319 3.588 3.960 -0.089 0.000 0.290 285 G C 0.561 175.556 174.900 0.158 0.000 0.912 285 G CA 0.802 45.956 45.100 0.089 0.000 1.142 285 G HN 0.512 nan 8.290 nan 0.000 0.501 286 F N 1.365 121.314 119.950 -0.000 0.000 2.075 286 F HA -0.102 4.368 4.527 -0.096 0.000 0.297 286 F C 2.543 178.344 175.800 0.002 0.000 1.113 286 F CA 1.857 59.853 58.000 -0.007 0.000 1.218 286 F CB -0.728 38.281 39.000 0.014 0.000 0.984 286 F HN 0.311 nan 8.300 nan 0.000 0.472 287 S N 0.636 116.347 115.700 0.018 0.000 2.368 287 S HA -0.251 4.165 4.470 -0.089 0.000 0.226 287 S C 1.775 176.340 174.600 -0.059 0.000 1.044 287 S CA 1.707 59.861 58.200 -0.077 0.000 1.062 287 S CB -0.525 62.686 63.200 0.017 0.000 0.931 287 S HN 0.476 nan 8.310 nan 0.000 0.440 288 E N 1.367 121.568 120.200 0.001 0.000 2.077 288 E HA -0.168 4.128 4.350 -0.089 0.000 0.193 288 E C 2.083 178.681 176.600 -0.003 0.000 0.989 288 E CA 0.944 57.348 56.400 0.006 0.000 0.800 288 E CB -0.523 29.192 29.700 0.024 0.000 0.746 288 E HN 0.583 nan 8.360 nan 0.000 0.452 289 R N 0.556 121.063 120.500 0.011 0.000 2.083 289 R HA -0.147 4.140 4.340 -0.089 0.000 0.237 289 R C 2.221 178.508 176.300 -0.022 0.000 1.137 289 R CA 1.070 57.187 56.100 0.028 0.000 0.951 289 R CB -0.210 30.156 30.300 0.110 0.000 0.851 289 R HN 0.072 nan 8.270 nan 0.000 0.434 290 L N 1.371 122.508 121.223 -0.143 0.000 2.042 290 L HA -0.138 4.148 4.340 -0.089 0.000 0.210 290 L C 2.207 179.029 176.870 -0.081 0.000 1.076 290 L CA 1.777 56.513 54.840 -0.173 0.000 0.749 290 L CB -0.898 40.953 42.059 -0.347 0.000 0.893 290 L HN 0.195 nan 8.230 nan 0.000 0.432 291 E N -0.906 119.260 120.200 -0.057 0.000 2.150 291 E HA -0.176 4.121 4.350 -0.089 0.000 0.193 291 E C 2.385 178.982 176.600 -0.004 0.000 0.985 291 E CA 0.700 57.088 56.400 -0.021 0.000 0.814 291 E CB -0.162 29.537 29.700 -0.002 0.000 0.752 291 E HN 0.259 nan 8.360 nan 0.000 0.466 292 R N 0.250 120.750 120.500 -0.000 0.000 2.096 292 R HA -0.128 4.158 4.340 -0.089 0.000 0.235 292 R C 2.182 178.491 176.300 0.015 0.000 1.127 292 R CA 1.666 57.767 56.100 0.002 0.000 0.968 292 R CB -0.195 30.108 30.300 0.005 0.000 0.861 292 R HN 0.281 nan 8.270 nan 0.000 0.440 293 V N -1.420 118.529 119.914 0.059 0.000 2.323 293 V HA -0.086 3.980 4.120 -0.089 0.000 0.244 293 V C 2.329 178.558 176.094 0.224 0.000 1.041 293 V CA 1.714 64.112 62.300 0.163 0.000 1.025 293 V CB -0.806 31.174 31.823 0.262 0.000 0.656 293 V HN 0.212 nan 8.190 nan 0.000 0.451 294 R N 0.380 120.949 120.500 0.115 0.000 2.133 294 R HA -0.197 4.090 4.340 -0.089 0.000 0.247 294 R C 2.649 179.015 176.300 0.110 0.000 1.151 294 R CA 2.309 58.465 56.100 0.093 0.000 0.971 294 R CB -0.493 29.776 30.300 -0.051 0.000 0.866 294 R HN 0.660 nan 8.270 nan 0.000 0.447 295 R N -0.560 119.963 120.500 0.038 0.000 2.057 295 R HA -0.065 4.221 4.340 -0.089 0.000 0.229 295 R C 1.981 178.231 176.300 -0.083 0.000 1.136 295 R CA 1.540 57.627 56.100 -0.022 0.000 0.952 295 R CB -0.159 30.124 30.300 -0.028 0.000 0.848 295 R HN 0.119 nan 8.270 nan 0.000 0.430 296 V N 0.507 120.359 119.914 -0.103 0.000 2.287 296 V HA -0.276 3.790 4.120 -0.089 0.000 0.248 296 V C 1.957 177.868 176.094 -0.305 0.000 1.053 296 V CA 1.843 64.002 62.300 -0.234 0.000 1.027 296 V CB -0.641 30.980 31.823 -0.337 0.000 0.646 296 V HN 0.372 nan 8.190 nan 0.000 0.447 297 Y N -0.201 120.073 120.300 -0.043 0.000 2.263 297 Y HA -0.102 4.389 4.550 -0.097 0.000 0.292 297 Y C 2.703 178.297 175.900 -0.510 0.000 1.130 297 Y CA 1.645 59.737 58.100 -0.014 0.000 1.179 297 Y CB -0.331 38.295 38.460 0.278 0.000 0.998 297 Y HN 0.051 nan 8.280 nan 0.000 0.532 298 R N 0.949 121.129 120.500 -0.533 0.000 2.080 298 R HA -0.239 4.047 4.340 -0.089 0.000 0.236 298 R C 2.221 178.149 176.300 -0.619 0.000 1.137 298 R CA 2.031 57.509 56.100 -1.038 0.000 0.943 298 R CB -0.333 29.726 30.300 -0.403 0.000 0.846 298 R HN 0.459 nan 8.270 nan 0.000 0.431 299 E N 0.486 120.473 120.200 -0.354 0.000 2.058 299 E HA -0.222 4.075 4.350 -0.089 0.000 0.194 299 E C 1.767 178.194 176.600 -0.288 0.000 0.997 299 E CA 1.479 57.725 56.400 -0.257 0.000 0.801 299 E CB 0.106 29.697 29.700 -0.183 0.000 0.746 299 E HN 0.300 nan 8.360 nan 0.000 0.450 300 K N -0.162 120.042 120.400 -0.326 0.000 2.097 300 K HA -0.067 4.199 4.320 -0.089 0.000 0.205 300 K C 2.150 178.368 176.600 -0.638 0.000 1.050 300 K CA 0.813 56.883 56.287 -0.360 0.000 0.938 300 K CB -0.057 32.303 32.500 -0.232 0.000 0.718 300 K HN 0.145 nan 8.250 nan 0.000 0.442 301 A N 1.740 124.093 122.820 -0.779 0.000 1.898 301 A HA -0.211 4.056 4.320 -0.089 0.000 0.216 301 A C 2.047 179.354 177.584 -0.462 0.000 1.181 301 A CA 1.250 52.796 52.037 -0.819 0.000 0.620 301 A CB -0.396 18.238 19.000 -0.610 0.000 0.819 301 A HN 0.314 nan 8.150 nan 0.000 0.442 302 Q N -0.542 119.035 119.800 -0.372 0.000 2.124 302 Q HA -0.099 4.187 4.340 -0.089 0.000 0.202 302 Q C 2.355 178.285 176.000 -0.118 0.000 0.977 302 Q CA 1.362 57.032 55.803 -0.220 0.000 0.850 302 Q CB -0.392 28.261 28.738 -0.143 0.000 0.901 302 Q HN 0.675 nan 8.270 nan 0.000 0.429 303 A N 0.762 123.505 122.820 -0.128 0.000 1.969 303 A HA -0.171 4.096 4.320 -0.089 0.000 0.218 303 A C 2.035 179.574 177.584 -0.075 0.000 1.169 303 A CA 1.335 53.344 52.037 -0.047 0.000 0.635 303 A CB -0.366 18.582 19.000 -0.087 0.000 0.810 303 A HN 0.336 nan 8.150 nan 0.000 0.445 304 M N -0.018 119.458 119.600 -0.207 0.000 2.099 304 M HA -0.000 4.426 4.480 -0.089 0.000 0.262 304 M C 1.831 178.039 176.300 -0.153 0.000 1.067 304 M CA 1.617 56.804 55.300 -0.187 0.000 1.124 304 M CB -0.666 31.735 32.600 -0.332 0.000 1.353 304 M HN 0.333 nan 8.290 nan 0.000 0.410 305 L N -1.052 120.078 121.223 -0.154 0.000 2.017 305 L HA -0.266 4.021 4.340 -0.089 0.000 0.208 305 L C 2.710 179.529 176.870 -0.085 0.000 1.073 305 L CA 1.276 56.050 54.840 -0.110 0.000 0.745 305 L CB -1.374 40.624 42.059 -0.102 0.000 0.894 305 L HN 0.415 nan 8.230 nan 0.000 0.432 306 H N 0.054 119.091 119.070 -0.055 0.000 2.265 306 H HA -0.195 4.307 4.556 -0.090 0.000 0.295 306 H C 2.267 177.568 175.328 -0.045 0.000 1.084 306 H CA 1.803 57.829 56.048 -0.038 0.000 1.261 306 H CB -0.281 29.453 29.762 -0.048 0.000 1.360 306 H HN 0.359 nan 8.280 nan 0.000 0.487 307 A N 0.793 123.657 122.820 0.074 0.000 1.986 307 A HA -0.148 4.119 4.320 -0.089 0.000 0.220 307 A C 2.832 180.387 177.584 -0.049 0.000 1.171 307 A CA 1.412 53.455 52.037 0.010 0.000 0.640 307 A CB -0.860 18.139 19.000 -0.002 0.000 0.811 307 A HN 0.321 nan 8.150 nan 0.000 0.451 308 L N -0.802 120.343 121.223 -0.130 0.000 2.072 308 L HA -0.133 4.154 4.340 -0.089 0.000 0.205 308 L C 1.898 178.744 176.870 -0.040 0.000 1.079 308 L CA 1.233 55.911 54.840 -0.270 0.000 0.752 308 L CB -0.526 41.099 42.059 -0.723 0.000 0.906 308 L HN 0.264 nan 8.230 nan 0.000 0.436 309 D N -0.330 120.119 120.400 0.082 0.000 2.219 309 D HA -0.174 4.413 4.640 -0.089 0.000 0.205 309 D C 2.173 178.530 176.300 0.095 0.000 0.970 309 D CA 0.874 54.966 54.000 0.153 0.000 0.851 309 D CB -0.089 40.786 40.800 0.126 0.000 0.943 309 D HN 0.215 nan 8.370 nan 0.000 0.488 310 R N 0.346 120.885 120.500 0.064 0.000 2.254 310 R HA -0.021 4.266 4.340 -0.089 0.000 0.195 310 R C 0.891 177.206 176.300 0.025 0.000 0.957 310 R CA 0.712 56.838 56.100 0.044 0.000 1.024 310 R CB 0.447 30.770 30.300 0.039 0.000 0.952 310 R HN -0.036 nan 8.270 nan 0.000 0.484 311 E N -0.077 120.129 120.200 0.010 0.000 2.367 311 E HA 0.108 4.405 4.350 -0.089 0.000 0.204 311 E C 0.246 176.845 176.600 -0.001 0.000 0.840 311 E CA 0.167 56.566 56.400 -0.002 0.000 1.051 311 E CB 0.490 30.178 29.700 -0.019 0.000 1.051 311 E HN -0.007 nan 8.360 nan 0.000 0.509 312 V N 4.607 124.521 119.914 0.001 0.000 2.637 312 V HA 0.131 4.197 4.120 -0.089 0.000 0.296 312 V C -2.073 174.064 176.094 0.072 0.000 1.046 312 V CA -1.185 61.136 62.300 0.034 0.000 1.066 312 V CB 0.402 32.276 31.823 0.086 0.000 0.968 312 V HN -0.010 nan 8.190 nan 0.000 0.483 313 P HA 0.193 nan 4.420 nan 0.000 0.272 313 P C 0.343 177.666 177.300 0.039 0.000 1.240 313 P CA -0.429 62.691 63.100 0.033 0.000 0.791 313 P CB 0.680 32.389 31.700 0.016 0.000 0.978 314 K N 0.687 121.098 120.400 0.018 0.000 2.296 314 K HA -0.076 4.190 4.320 -0.089 0.000 0.200 314 K C 1.123 177.715 176.600 -0.014 0.000 1.048 314 K CA 1.171 57.458 56.287 -0.001 0.000 0.966 314 K CB -0.278 32.218 32.500 -0.006 0.000 0.754 314 K HN 0.349 nan 8.250 nan 0.000 0.466 315 E N -0.419 119.777 120.200 -0.007 0.000 2.511 315 E HA -0.014 4.282 4.350 -0.089 0.000 0.196 315 E C -0.158 176.433 176.600 -0.016 0.000 1.066 315 E CA 0.111 56.504 56.400 -0.012 0.000 0.871 315 E CB 0.200 29.896 29.700 -0.008 0.000 0.863 315 E HN 0.052 nan 8.360 nan 0.000 0.520 316 V N 0.971 120.879 119.914 -0.010 0.000 2.656 316 V HA 0.568 4.634 4.120 -0.089 0.000 0.307 316 V C -1.184 174.901 176.094 -0.015 0.000 1.051 316 V CA -1.102 61.194 62.300 -0.008 0.000 0.893 316 V CB 1.658 33.485 31.823 0.006 0.000 0.999 316 V HN 0.116 nan 8.190 nan 0.000 0.426 317 R N 4.844 125.319 120.500 -0.042 0.000 2.787 317 R HA 0.658 4.945 4.340 -0.089 0.000 0.271 317 R C -1.722 174.566 176.300 -0.020 0.000 0.993 317 R CA -0.483 55.539 56.100 -0.130 0.000 0.993 317 R CB 1.512 31.741 30.300 -0.118 0.000 1.155 317 R HN 0.958 nan 8.270 nan 0.000 0.486 318 Y N -2.780 117.500 120.300 -0.033 0.000 2.552 318 Y HA 0.421 4.918 4.550 -0.089 0.000 0.337 318 Y C -0.302 175.620 175.900 0.036 0.000 1.094 318 Y CA -1.264 56.823 58.100 -0.021 0.000 1.028 318 Y CB 1.042 39.469 38.460 -0.056 0.000 1.321 318 Y HN 0.800 nan 8.280 nan 0.000 0.456 319 T N 0.447 115.153 114.554 0.254 0.000 2.898 319 T HA 0.449 4.745 4.350 -0.089 0.000 0.301 319 T C -0.184 174.653 174.700 0.229 0.000 1.049 319 T CA -0.964 61.255 62.100 0.198 0.000 1.095 319 T CB 0.603 69.604 68.868 0.222 0.000 0.976 319 T HN 0.741 nan 8.240 nan 0.000 0.539 320 R N 2.787 123.381 120.500 0.158 0.000 2.423 320 R HA 0.323 4.609 4.340 -0.089 0.000 0.293 320 R C -2.567 173.831 176.300 0.164 0.000 1.196 320 R CA -1.909 54.285 56.100 0.158 0.000 1.262 320 R CB 0.424 30.782 30.300 0.096 0.000 1.116 320 R HN 0.640 nan 8.270 nan 0.000 0.566 321 P HA 0.120 nan 4.420 nan 0.000 0.271 321 P C -0.380 177.033 177.300 0.188 0.000 1.216 321 P CA -0.237 62.983 63.100 0.200 0.000 0.771 321 P CB 1.109 32.948 31.700 0.232 0.000 0.864 322 K N 1.583 122.052 120.400 0.116 0.000 2.500 322 K HA 0.432 4.699 4.320 -0.089 0.000 0.206 322 K C 0.802 177.032 176.600 -0.616 0.000 1.034 322 K CA -0.238 56.084 56.287 0.058 0.000 1.179 322 K CB 0.384 33.009 32.500 0.208 0.000 0.884 322 K HN 0.767 nan 8.250 nan 0.000 0.493 323 G N -0.793 107.112 108.800 -1.492 0.000 2.324 323 G HA2 0.392 4.298 3.960 -0.089 0.000 0.293 323 G HA3 0.392 4.298 3.960 -0.089 0.000 0.293 323 G C -0.393 173.414 174.900 -1.822 0.000 1.297 323 G CA -0.315 42.982 45.100 -3.004 0.000 0.853 323 G HN 0.287 nan 8.290 nan 0.000 0.535 324 G N -0.891 107.110 108.800 -1.331 0.000 2.568 324 G HA2 0.334 4.241 3.960 -0.089 0.000 0.222 324 G HA3 0.334 4.241 3.960 -0.089 0.000 0.222 324 G C 0.601 175.264 174.900 -0.395 0.000 1.321 324 G CA 0.946 45.635 45.100 -0.686 0.000 0.893 324 G HN 2.335 nan 8.290 nan 0.000 0.569 325 M N -2.304 116.936 119.600 -0.600 0.000 3.340 325 M HA 0.695 5.122 4.480 -0.089 0.000 0.471 325 M C -0.792 174.752 176.300 -1.260 0.000 1.550 325 M CA -0.326 54.527 55.300 -0.746 0.000 0.754 325 M CB 0.512 32.663 32.600 -0.748 0.000 1.485 325 M HN 0.410 nan 8.290 nan 0.000 0.530 326 F N -0.218 119.572 119.950 -0.266 0.000 2.620 326 F HA 0.840 5.314 4.527 -0.088 0.000 0.320 326 F C -0.525 175.326 175.800 0.085 0.000 1.069 326 F CA -1.263 56.654 58.000 -0.137 0.000 0.953 326 F CB 2.147 41.094 39.000 -0.088 0.000 1.322 326 F HN -0.211 nan 8.300 nan 0.000 0.479 327 V N 1.393 121.517 119.914 0.350 0.000 2.612 327 V HA 0.200 4.266 4.120 -0.089 0.000 0.301 327 V C -1.519 174.743 176.094 0.280 0.000 1.059 327 V CA -0.863 61.612 62.300 0.293 0.000 0.886 327 V CB 2.257 34.204 31.823 0.207 0.000 1.007 327 V HN 0.784 nan 8.190 nan 0.000 0.426 328 W N 7.785 129.119 121.300 0.057 0.000 2.335 328 W HA 0.630 5.236 4.660 -0.090 0.000 0.307 328 W C -0.846 175.693 176.519 0.035 0.000 1.117 328 W CA -0.695 56.646 57.345 -0.006 0.000 1.228 328 W CB 1.633 31.064 29.460 -0.048 0.000 1.240 328 W HN 0.554 nan 8.180 nan 0.000 0.468 329 M N 5.454 124.774 119.600 -0.466 0.000 2.404 329 M HA 0.324 4.750 4.480 -0.089 0.000 0.338 329 M C -1.099 174.879 176.300 -0.536 0.000 1.150 329 M CA -0.092 54.996 55.300 -0.353 0.000 1.016 329 M CB 1.723 34.148 32.600 -0.291 0.000 1.672 329 M HN 0.443 nan 8.290 nan 0.000 0.448 330 E N 5.048 125.087 120.200 -0.269 0.000 2.244 330 E HA 0.398 4.695 4.350 -0.089 0.000 0.260 330 E C -1.392 175.139 176.600 -0.115 0.000 0.884 330 E CA -0.536 55.744 56.400 -0.200 0.000 0.777 330 E CB 1.991 31.648 29.700 -0.073 0.000 1.197 330 E HN 0.638 nan 8.360 nan 0.000 0.416 331 L N 3.583 124.736 121.223 -0.116 0.000 2.453 331 L HA 0.329 4.615 4.340 -0.089 0.000 0.261 331 L C -1.824 175.018 176.870 -0.046 0.000 1.179 331 L CA -2.062 52.733 54.840 -0.074 0.000 0.813 331 L CB -0.037 41.980 42.059 -0.070 0.000 1.110 331 L HN 0.300 nan 8.230 nan 0.000 0.466 332 P HA -0.035 nan 4.420 nan 0.000 0.266 332 P C -0.684 176.605 177.300 -0.018 0.000 1.215 332 P CA -0.401 62.687 63.100 -0.020 0.000 0.763 332 P CB 0.386 32.076 31.700 -0.015 0.000 0.806 333 K N 3.351 123.742 120.400 -0.014 0.000 2.572 333 K HA -0.170 4.097 4.320 -0.089 0.000 0.273 333 K C 0.993 177.585 176.600 -0.013 0.000 0.990 333 K CA 1.471 57.749 56.287 -0.014 0.000 1.097 333 K CB -1.319 31.176 32.500 -0.007 0.000 0.819 333 K HN 0.829 nan 8.250 nan 0.000 0.482 334 G N 2.118 110.909 108.800 -0.015 0.000 2.284 334 G HA2 -0.249 3.658 3.960 -0.089 0.000 0.230 334 G HA3 -0.249 3.658 3.960 -0.089 0.000 0.230 334 G C 0.071 174.967 174.900 -0.007 0.000 1.021 334 G CA 0.150 45.244 45.100 -0.010 0.000 0.619 334 G HN 0.543 nan 8.290 nan 0.000 0.510 335 L N 2.217 123.434 121.223 -0.009 0.000 2.290 335 L HA 0.579 4.865 4.340 -0.089 0.000 0.284 335 L C 0.993 177.863 176.870 -0.001 0.000 1.078 335 L CA -0.199 54.640 54.840 -0.003 0.000 0.815 335 L CB 1.589 43.644 42.059 -0.007 0.000 1.162 335 L HN 0.266 nan 8.230 nan 0.000 0.435 336 S N 2.076 117.786 115.700 0.017 0.000 2.565 336 S HA 0.368 4.785 4.470 -0.089 0.000 0.276 336 S C 0.892 175.530 174.600 0.064 0.000 1.326 336 S CA 0.003 58.222 58.200 0.031 0.000 1.045 336 S CB 1.509 64.735 63.200 0.043 0.000 0.918 336 S HN 0.714 nan 8.310 nan 0.000 0.505 337 A N 3.526 126.392 122.820 0.076 0.000 2.147 337 A HA 0.197 4.464 4.320 -0.089 0.000 0.211 337 A C 1.893 179.650 177.584 0.288 0.000 1.160 337 A CA 0.175 52.310 52.037 0.163 0.000 0.781 337 A CB -0.310 18.749 19.000 0.098 0.000 0.842 337 A HN 0.809 nan 8.150 nan 0.000 0.475 338 E N 0.382 120.681 120.200 0.164 0.000 2.230 338 E HA -0.027 4.269 4.350 -0.089 0.000 0.192 338 E C 1.958 178.680 176.600 0.204 0.000 0.987 338 E CA 1.039 57.526 56.400 0.144 0.000 0.841 338 E CB -0.252 29.484 29.700 0.060 0.000 0.783 338 E HN 0.464 nan 8.360 nan 0.000 0.481 339 G N 1.588 110.484 108.800 0.160 0.000 2.394 339 G HA2 -0.196 3.710 3.960 -0.089 0.000 0.214 339 G HA3 -0.196 3.710 3.960 -0.089 0.000 0.214 339 G C 1.695 176.702 174.900 0.177 0.000 1.176 339 G CA 0.448 45.629 45.100 0.135 0.000 0.786 339 G HN 0.304 nan 8.290 nan 0.000 0.533 340 L N -0.400 120.962 121.223 0.233 0.000 2.043 340 L HA -0.095 4.191 4.340 -0.089 0.000 0.212 340 L C 2.541 179.657 176.870 0.408 0.000 1.075 340 L CA 1.535 56.554 54.840 0.299 0.000 0.752 340 L CB -0.299 41.957 42.059 0.327 0.000 0.891 340 L HN 0.246 nan 8.230 nan 0.000 0.432 341 F N 0.747 120.842 119.950 0.242 0.000 2.346 341 F HA -0.237 4.236 4.527 -0.090 0.000 0.301 341 F C 2.369 178.140 175.800 -0.049 0.000 1.070 341 F CA 1.340 59.269 58.000 -0.117 0.000 1.407 341 F CB -0.183 38.651 39.000 -0.276 0.000 1.072 341 F HN 0.080 nan 8.300 nan 0.000 0.543 342 R N -0.446 120.046 120.500 -0.013 0.000 2.156 342 R HA 0.101 4.388 4.340 -0.089 0.000 0.207 342 R C 2.216 178.473 176.300 -0.073 0.000 1.040 342 R CA 0.584 56.623 56.100 -0.101 0.000 1.013 342 R CB -0.688 29.611 30.300 -0.002 0.000 0.931 342 R HN 0.273 nan 8.270 nan 0.000 0.465 343 R N 0.527 121.033 120.500 0.009 0.000 2.275 343 R HA 0.159 4.445 4.340 -0.089 0.000 0.199 343 R C 1.646 177.965 176.300 0.031 0.000 0.989 343 R CA 0.626 56.739 56.100 0.022 0.000 1.016 343 R CB 0.194 30.524 30.300 0.050 0.000 0.918 343 R HN 0.123 nan 8.270 nan 0.000 0.473 344 A N 0.408 123.254 122.820 0.044 0.000 1.975 344 A HA 0.002 4.269 4.320 -0.089 0.000 0.215 344 A C 1.916 179.479 177.584 -0.035 0.000 1.170 344 A CA 0.528 52.620 52.037 0.091 0.000 0.656 344 A CB -0.107 19.064 19.000 0.285 0.000 0.821 344 A HN 0.214 nan 8.150 nan 0.000 0.449 345 L N -0.627 120.493 121.223 -0.173 0.000 2.072 345 L HA -0.139 4.147 4.340 -0.089 0.000 0.205 345 L C 2.369 179.183 176.870 -0.093 0.000 1.079 345 L CA 1.315 56.042 54.840 -0.189 0.000 0.752 345 L CB -0.676 41.205 42.059 -0.296 0.000 0.906 345 L HN 0.432 nan 8.230 nan 0.000 0.436 346 E N 0.081 120.239 120.200 -0.070 0.000 2.209 346 E HA -0.200 4.096 4.350 -0.089 0.000 0.196 346 E C 1.382 177.972 176.600 -0.017 0.000 0.993 346 E CA 0.859 57.237 56.400 -0.036 0.000 0.819 346 E CB 0.087 29.774 29.700 -0.021 0.000 0.745 346 E HN 0.413 nan 8.360 nan 0.000 0.477 347 E N 0.057 120.254 120.200 -0.006 0.000 2.481 347 E HA 0.064 4.360 4.350 -0.089 0.000 0.198 347 E C -0.506 176.103 176.600 0.016 0.000 1.027 347 E CA -0.073 56.336 56.400 0.015 0.000 0.900 347 E CB 0.038 29.763 29.700 0.041 0.000 0.993 347 E HN 0.289 nan 8.360 nan 0.000 0.482 348 N N 0.094 118.789 118.700 -0.007 0.000 2.756 348 N HA -0.162 4.525 4.740 -0.089 0.000 0.248 348 N C -0.880 174.636 175.510 0.009 0.000 1.062 348 N CA 0.440 53.483 53.050 -0.012 0.000 0.696 348 N CB -0.970 37.511 38.487 -0.010 0.000 0.946 348 N HN 0.024 nan 8.380 nan 0.000 0.548 349 V N -0.850 119.085 119.914 0.036 0.000 3.120 349 V HA 0.916 4.982 4.120 -0.089 0.000 0.303 349 V C -1.341 174.842 176.094 0.149 0.000 1.238 349 V CA 0.128 62.494 62.300 0.109 0.000 1.008 349 V CB 2.217 34.170 31.823 0.217 0.000 1.064 349 V HN 0.309 nan 8.190 nan 0.000 0.434 350 A N 4.117 127.079 122.820 0.236 0.000 2.569 350 A HA 1.095 5.362 4.320 -0.089 0.000 0.290 350 A C -1.300 176.592 177.584 0.513 0.000 1.136 350 A CA -0.305 51.884 52.037 0.253 0.000 0.710 350 A CB 1.894 20.988 19.000 0.158 0.000 1.303 350 A HN 1.915 nan 8.150 nan 0.000 0.413 351 F N -2.354 117.852 119.950 0.427 0.000 2.985 351 F HA 0.729 5.202 4.527 -0.090 0.000 0.322 351 F C -1.228 174.698 175.800 0.210 0.000 1.187 351 F CA -1.296 56.896 58.000 0.320 0.000 0.910 351 F CB 0.909 40.053 39.000 0.239 0.000 1.411 351 F HN 0.334 nan 8.300 nan 0.000 0.492 352 V N 1.632 121.788 119.914 0.403 0.000 2.370 352 V HA 0.465 4.531 4.120 -0.089 0.000 0.283 352 V C -2.440 173.837 176.094 0.305 0.000 1.023 352 V CA -1.933 60.511 62.300 0.239 0.000 0.857 352 V CB 1.146 33.199 31.823 0.383 0.000 0.985 352 V HN 0.499 nan 8.190 nan 0.000 0.443 353 P HA 0.143 nan 4.420 nan 0.000 0.271 353 P C 1.027 178.518 177.300 0.317 0.000 1.216 353 P CA 0.181 63.374 63.100 0.154 0.000 0.776 353 P CB 0.927 32.600 31.700 -0.045 0.000 0.881 354 G N 2.520 111.513 108.800 0.322 0.000 2.484 354 G HA2 -0.147 3.760 3.960 -0.089 0.000 0.218 354 G HA3 -0.147 3.760 3.960 -0.089 0.000 0.218 354 G C 1.695 177.039 174.900 0.740 0.000 1.130 354 G CA 0.721 46.242 45.100 0.701 0.000 0.784 354 G HN 0.621 nan 8.290 nan 0.000 0.543 355 G N 1.971 110.969 108.800 0.330 0.000 2.649 355 G HA2 -0.252 3.655 3.960 -0.089 0.000 0.220 355 G HA3 -0.252 3.655 3.960 -0.089 0.000 0.220 355 G C 0.035 175.093 174.900 0.264 0.000 1.189 355 G CA 1.314 46.538 45.100 0.206 0.000 0.777 355 G HN 0.424 nan 8.290 nan 0.000 0.602 356 P HA -0.029 nan 4.420 nan 0.000 0.223 356 P C 0.967 178.153 177.300 -0.189 0.000 1.144 356 P CA 0.655 63.689 63.100 -0.110 0.000 0.783 356 P CB -0.149 31.385 31.700 -0.277 0.000 0.771 357 F N -2.845 117.206 119.950 0.169 0.000 2.797 357 F HA 0.177 4.649 4.527 -0.091 0.000 0.302 357 F C 0.712 176.397 175.800 -0.191 0.000 1.130 357 F CA 0.194 58.187 58.000 -0.012 0.000 1.387 357 F CB -0.436 38.550 39.000 -0.024 0.000 1.107 357 F HN -0.203 nan 8.300 nan 0.000 0.577 358 F N -0.449 119.546 119.950 0.075 0.000 2.308 358 F HA 0.447 4.921 4.527 -0.089 0.000 0.370 358 F C 1.232 176.968 175.800 -0.106 0.000 1.100 358 F CA -0.855 57.152 58.000 0.011 0.000 1.108 358 F CB 0.889 39.924 39.000 0.059 0.000 1.293 358 F HN -0.071 nan 8.300 nan 0.000 0.478 359 A N 3.057 125.796 122.820 -0.135 0.000 1.958 359 A HA -0.284 3.982 4.320 -0.089 0.000 0.221 359 A C 1.338 178.787 177.584 -0.226 0.000 1.178 359 A CA 2.018 53.813 52.037 -0.404 0.000 0.642 359 A CB -0.583 18.006 19.000 -0.685 0.000 0.816 359 A HN 0.844 nan 8.150 nan 0.000 0.453 360 N N -1.057 117.633 118.700 -0.016 0.000 2.389 360 N HA 0.434 5.120 4.740 -0.089 0.000 0.260 360 N C 0.312 175.871 175.510 0.082 0.000 1.191 360 N CA 0.254 53.337 53.050 0.056 0.000 0.885 360 N CB 0.666 39.211 38.487 0.096 0.000 1.162 360 N HN 0.725 nan 8.380 nan 0.000 0.512 361 G N -0.157 108.699 108.800 0.093 0.000 2.829 361 G HA2 0.214 4.121 3.960 -0.089 0.000 0.628 361 G HA3 0.214 4.121 3.960 -0.089 0.000 0.628 361 G C 0.178 175.091 174.900 0.022 0.000 1.412 361 G CA -0.699 44.438 45.100 0.061 0.000 0.864 361 G HN 0.727 nan 8.290 nan 0.000 0.544 362 G N -1.470 107.267 108.800 -0.104 0.000 2.582 362 G HA2 0.524 4.431 3.960 -0.089 0.000 0.222 362 G HA3 0.524 4.431 3.960 -0.089 0.000 0.222 362 G C 1.727 176.240 174.900 -0.644 0.000 1.311 362 G CA 1.213 46.162 45.100 -0.251 0.000 0.915 362 G HN 3.134 nan 8.290 nan 0.000 0.528 363 G N -0.388 107.998 108.800 -0.690 0.000 2.390 363 G HA2 -0.002 3.905 3.960 -0.089 0.000 0.299 363 G HA3 -0.002 3.905 3.960 -0.089 0.000 0.299 363 G C 0.849 175.474 174.900 -0.458 0.000 1.002 363 G CA 1.558 46.160 45.100 -0.831 0.000 0.979 363 G HN 1.917 nan 8.290 nan 0.000 0.513 364 E N 0.331 120.382 120.200 -0.249 0.000 2.403 364 E HA -0.024 4.273 4.350 -0.089 0.000 0.187 364 E C 1.079 177.638 176.600 -0.068 0.000 1.073 364 E CA 0.440 56.771 56.400 -0.115 0.000 0.888 364 E CB -0.202 29.452 29.700 -0.077 0.000 1.035 364 E HN 0.725 nan 8.360 nan 0.000 0.471 365 N N 0.921 119.568 118.700 -0.088 0.000 2.234 365 N HA -0.010 4.676 4.740 -0.089 0.000 0.227 365 N C -0.094 175.348 175.510 -0.114 0.000 1.151 365 N CA -0.078 52.931 53.050 -0.070 0.000 0.865 365 N CB 0.487 38.940 38.487 -0.057 0.000 1.066 365 N HN 0.106 nan 8.380 nan 0.000 0.515 366 T N -0.836 113.629 114.554 -0.148 0.000 2.907 366 T HA 0.753 5.049 4.350 -0.089 0.000 0.290 366 T C -0.594 173.840 174.700 -0.443 0.000 1.066 366 T CA -0.748 61.134 62.100 -0.363 0.000 1.012 366 T CB 2.182 70.853 68.868 -0.329 0.000 1.184 366 T HN 0.128 nan 8.240 nan 0.000 0.522 367 L N -1.739 118.974 121.223 -0.851 0.000 2.710 367 L HA 0.660 4.947 4.340 -0.089 0.000 0.260 367 L C -1.140 175.364 176.870 -0.610 0.000 0.993 367 L CA -1.022 53.527 54.840 -0.485 0.000 0.877 367 L CB 1.416 43.432 42.059 -0.072 0.000 1.461 367 L HN 1.070 nan 8.230 nan 0.000 0.413 368 R N 1.291 121.735 120.500 -0.094 0.000 2.474 368 R HA 0.864 5.150 4.340 -0.089 0.000 0.295 368 R C -1.416 175.004 176.300 0.200 0.000 0.980 368 R CA -0.709 55.458 56.100 0.111 0.000 0.934 368 R CB 1.393 31.749 30.300 0.093 0.000 1.101 368 R HN 0.806 nan 8.270 nan 0.000 0.469 369 L N 2.429 123.776 121.223 0.207 0.000 2.349 369 L HA 0.357 4.643 4.340 -0.089 0.000 0.278 369 L C -0.363 176.697 176.870 0.317 0.000 0.996 369 L CA -0.544 54.426 54.840 0.216 0.000 0.825 369 L CB 1.994 44.027 42.059 -0.044 0.000 1.243 369 L HN 0.569 nan 8.230 nan 0.000 0.412 370 S N 1.242 117.173 115.700 0.385 0.000 2.501 370 S HA 0.541 4.957 4.470 -0.089 0.000 0.301 370 S C -0.055 174.683 174.600 0.230 0.000 1.096 370 S CA -0.405 57.892 58.200 0.162 0.000 1.063 370 S CB 0.984 64.334 63.200 0.250 0.000 1.042 370 S HN 0.535 nan 8.310 nan 0.000 0.494 371 Y N 1.750 122.186 120.300 0.226 0.000 2.425 371 Y HA 0.534 5.030 4.550 -0.090 0.000 0.261 371 Y C 1.816 177.777 175.900 0.103 0.000 1.084 371 Y CA 0.149 58.383 58.100 0.223 0.000 1.248 371 Y CB -0.957 37.621 38.460 0.197 0.000 1.270 371 Y HN 0.587 nan 8.280 nan 0.000 0.524 372 A N 1.014 123.905 122.820 0.118 0.000 2.054 372 A HA -0.249 4.018 4.320 -0.089 0.000 0.223 372 A C 2.047 179.666 177.584 0.058 0.000 1.169 372 A CA 2.760 54.893 52.037 0.161 0.000 0.655 372 A CB -1.305 17.843 19.000 0.246 0.000 0.812 372 A HN 0.526 nan 8.150 nan 0.000 0.462 373 T N -0.441 114.151 114.554 0.063 0.000 2.976 373 T HA 0.233 4.530 4.350 -0.089 0.000 0.257 373 T C 0.877 175.575 174.700 -0.003 0.000 1.051 373 T CA 0.296 62.407 62.100 0.018 0.000 1.141 373 T CB -0.222 68.666 68.868 0.034 0.000 0.881 373 T HN 0.335 nan 8.240 nan 0.000 0.461 374 L N 2.176 123.410 121.223 0.019 0.000 2.475 374 L HA 0.300 4.586 4.340 -0.089 0.000 0.250 374 L C 0.484 177.349 176.870 -0.008 0.000 1.224 374 L CA -0.638 54.197 54.840 -0.009 0.000 0.821 374 L CB 0.198 42.248 42.059 -0.016 0.000 1.141 374 L HN 0.343 nan 8.230 nan 0.000 0.494 375 D N -1.489 118.897 120.400 -0.023 0.000 2.553 375 D HA 0.276 4.862 4.640 -0.089 0.000 0.249 375 D C 0.680 176.964 176.300 -0.026 0.000 1.062 375 D CA -0.825 53.153 54.000 -0.037 0.000 1.085 375 D CB 0.705 41.477 40.800 -0.046 0.000 1.350 375 D HN 0.254 nan 8.370 nan 0.000 0.575 376 R N -0.646 119.830 120.500 -0.040 0.000 2.165 376 R HA -0.197 4.090 4.340 -0.089 0.000 0.254 376 R C 1.619 177.909 176.300 -0.017 0.000 1.153 376 R CA 1.715 57.794 56.100 -0.035 0.000 0.971 376 R CB -0.162 30.110 30.300 -0.046 0.000 0.878 376 R HN 0.524 nan 8.270 nan 0.000 0.449 377 E N -0.552 119.637 120.200 -0.019 0.000 2.076 377 E HA -0.060 4.236 4.350 -0.089 0.000 0.190 377 E C 2.089 178.689 176.600 -0.000 0.000 0.979 377 E CA 1.192 57.586 56.400 -0.011 0.000 0.807 377 E CB -0.256 29.434 29.700 -0.017 0.000 0.761 377 E HN 0.466 nan 8.360 nan 0.000 0.454 378 G N 1.932 110.725 108.800 -0.011 0.000 2.440 378 G HA2 -0.220 3.686 3.960 -0.089 0.000 0.218 378 G HA3 -0.220 3.686 3.960 -0.089 0.000 0.218 378 G C 1.620 176.536 174.900 0.027 0.000 1.154 378 G CA 0.753 45.837 45.100 -0.027 0.000 0.767 378 G HN 0.151 nan 8.290 nan 0.000 0.552 379 I N 2.071 122.688 120.570 0.079 0.000 2.069 379 I HA -0.225 3.891 4.170 -0.089 0.000 0.237 379 I C 3.316 179.545 176.117 0.186 0.000 1.053 379 I CA 1.554 62.974 61.300 0.200 0.000 1.311 379 I CB -1.585 36.477 38.000 0.103 0.000 1.030 379 I HN 0.275 nan 8.210 nan 0.000 0.398 380 A N 0.258 123.129 122.820 0.085 0.000 1.908 380 A HA -0.262 4.005 4.320 -0.089 0.000 0.218 380 A C 2.297 179.924 177.584 0.072 0.000 1.181 380 A CA 2.179 54.252 52.037 0.059 0.000 0.627 380 A CB -0.656 18.357 19.000 0.021 0.000 0.818 380 A HN 0.467 nan 8.150 nan 0.000 0.445 381 E N -0.039 120.198 120.200 0.062 0.000 2.047 381 E HA -0.035 4.262 4.350 -0.089 0.000 0.191 381 E C 2.045 178.703 176.600 0.097 0.000 0.987 381 E CA 1.709 58.141 56.400 0.054 0.000 0.799 381 E CB -0.924 28.788 29.700 0.021 0.000 0.752 381 E HN 0.373 nan 8.360 nan 0.000 0.449 382 G N 0.063 108.950 108.800 0.146 0.000 2.421 382 G HA2 -0.213 3.694 3.960 -0.089 0.000 0.216 382 G HA3 -0.213 3.694 3.960 -0.089 0.000 0.216 382 G C 1.715 176.880 174.900 0.442 0.000 1.171 382 G CA 1.021 46.288 45.100 0.278 0.000 0.775 382 G HN 0.265 nan 8.290 nan 0.000 0.543 383 V N 0.676 120.811 119.914 0.368 0.000 2.720 383 V HA -0.112 3.954 4.120 -0.089 0.000 0.256 383 V C 2.698 178.824 176.094 0.053 0.000 1.082 383 V CA 1.908 64.263 62.300 0.092 0.000 1.101 383 V CB -0.404 31.412 31.823 -0.011 0.000 0.693 383 V HN 0.445 nan 8.190 nan 0.000 0.479 384 R N 0.265 120.815 120.500 0.083 0.000 2.093 384 R HA -0.056 4.231 4.340 -0.089 0.000 0.224 384 R C 2.477 178.810 176.300 0.055 0.000 1.101 384 R CA 1.034 57.163 56.100 0.049 0.000 0.979 384 R CB -0.042 30.284 30.300 0.043 0.000 0.877 384 R HN 0.438 nan 8.270 nan 0.000 0.441 385 R N 0.432 120.984 120.500 0.088 0.000 2.093 385 R HA -0.011 4.276 4.340 -0.089 0.000 0.224 385 R C 2.300 178.657 176.300 0.096 0.000 1.101 385 R CA 0.644 56.795 56.100 0.085 0.000 0.979 385 R CB -0.379 29.979 30.300 0.096 0.000 0.877 385 R HN 0.214 nan 8.270 nan 0.000 0.441 386 L N 0.954 122.252 121.223 0.126 0.000 2.027 386 L HA -0.027 4.259 4.340 -0.089 0.000 0.206 386 L C 2.018 178.893 176.870 0.008 0.000 1.074 386 L CA 2.126 57.017 54.840 0.086 0.000 0.745 386 L CB -1.324 40.760 42.059 0.042 0.000 0.898 386 L HN 0.283 nan 8.230 nan 0.000 0.433 387 G N -0.350 108.446 108.800 -0.007 0.000 2.462 387 G HA2 -0.317 3.589 3.960 -0.089 0.000 0.220 387 G HA3 -0.317 3.589 3.960 -0.089 0.000 0.220 387 G C 1.807 176.708 174.900 0.001 0.000 1.121 387 G CA 0.857 45.945 45.100 -0.020 0.000 0.758 387 G HN 0.404 nan 8.290 nan 0.000 0.559 388 R N 0.190 120.701 120.500 0.018 0.000 2.055 388 R HA 0.206 4.492 4.340 -0.089 0.000 0.226 388 R C 2.946 179.261 176.300 0.024 0.000 1.135 388 R CA 1.193 57.306 56.100 0.021 0.000 0.959 388 R CB -0.394 29.922 30.300 0.026 0.000 0.854 388 R HN 0.213 nan 8.270 nan 0.000 0.431 389 A N 1.338 124.180 122.820 0.038 0.000 1.948 389 A HA -0.187 4.079 4.320 -0.089 0.000 0.220 389 A C 2.180 179.784 177.584 0.033 0.000 1.177 389 A CA 1.440 53.506 52.037 0.048 0.000 0.636 389 A CB -0.718 18.335 19.000 0.089 0.000 0.815 389 A HN 0.371 nan 8.150 nan 0.000 0.449 390 L N -0.874 120.356 121.223 0.011 0.000 2.042 390 L HA -0.216 4.070 4.340 -0.089 0.000 0.210 390 L C 2.543 179.415 176.870 0.002 0.000 1.076 390 L CA 1.449 56.285 54.840 -0.007 0.000 0.749 390 L CB -0.409 41.631 42.059 -0.031 0.000 0.893 390 L HN 0.245 nan 8.230 nan 0.000 0.432 391 K N 0.162 120.566 120.400 0.006 0.000 2.097 391 K HA -0.103 4.163 4.320 -0.089 0.000 0.206 391 K C 2.052 178.659 176.600 0.011 0.000 1.049 391 K CA 1.338 57.630 56.287 0.008 0.000 0.933 391 K CB -0.883 31.623 32.500 0.009 0.000 0.717 391 K HN 0.403 nan 8.250 nan 0.000 0.442 392 G N 1.382 110.191 108.800 0.015 0.000 2.421 392 G HA2 -0.240 3.666 3.960 -0.089 0.000 0.216 392 G HA3 -0.240 3.666 3.960 -0.089 0.000 0.216 392 G C 1.585 176.495 174.900 0.018 0.000 1.171 392 G CA 0.546 45.657 45.100 0.017 0.000 0.775 392 G HN 0.220 nan 8.290 nan 0.000 0.543 393 L N 0.370 121.605 121.223 0.021 0.000 2.083 393 L HA 0.160 4.446 4.340 -0.089 0.000 0.209 393 L C 2.362 179.239 176.870 0.012 0.000 1.083 393 L CA 1.140 55.992 54.840 0.020 0.000 0.752 393 L CB -0.203 41.870 42.059 0.023 0.000 0.899 393 L HN 0.165 nan 8.230 nan 0.000 0.433 394 L N -0.477 120.750 121.223 0.007 0.000 2.675 394 L HA 0.078 4.365 4.340 -0.089 0.000 0.239 394 L C 1.349 178.222 176.870 0.006 0.000 1.151 394 L CA 0.353 55.196 54.840 0.004 0.000 0.905 394 L CB -0.641 41.419 42.059 0.002 0.000 1.057 394 L HN 0.285 nan 8.230 nan 0.000 0.435 395 A N 0.104 122.929 122.820 0.008 0.000 2.610 395 A HA 0.377 4.643 4.320 -0.089 0.000 0.286 395 A C 0.459 178.047 177.584 0.008 0.000 1.306 395 A CA -0.438 51.604 52.037 0.008 0.000 0.942 395 A CB -0.007 18.998 19.000 0.009 0.000 1.112 395 A HN 0.236 nan 8.150 nan 0.000 0.527 396 L N 0.000 121.228 121.223 0.008 0.000 2.949 396 L HA 0.000 4.287 4.340 -0.089 0.000 0.249 396 L CA 0.000 54.845 54.840 0.008 0.000 0.813 396 L CB 0.000 42.063 42.059 0.006 0.000 0.961 396 L HN 0.000 nan 8.230 nan 0.000 0.502