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 2z1e_1_A DATA FIRST_RESID 11 DATA SEQUENCE AGGEXXXXXX XXXXXXXXXX XXXXXXXXXX LDDGATIPFG DKHIVFTIDG DATA SEQUENCE HTVKPLFFPG GDIGRLAVSG TVNDLAVMGA EPIALANSMI IGEGLDMEVL DATA SEQUENCE KRVLKSMDET AREVPVPIVT GDTKVVEDKI EMFVITAGIG IAEHPVSDAG DATA SEQUENCE AKVGDAVLVS GTIGDHGIAL MSHREGIAFE TELKSDVAPI WDVVKAVAET DATA SEQUENCE IGWENIHAMK DPTRAGLSNA LNEIARKSNV GILVREADIP IRPEVRAASE DATA SEQUENCE MLGISPYDVA NEGKVVMVVA REYAEEALEA MRKTEKGRNA AIIGEVIADY DATA SEQUENCE RGKVLLETGI GGKRFMEPPE GDPV 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.593 177.584 0.015 0.000 1.274 11 A CA 0.000 52.045 52.037 0.013 0.000 0.836 11 A CB 0.000 19.006 19.000 0.010 0.000 0.831 12 G N 0.573 109.381 108.800 0.013 0.000 2.690 12 G HA2 0.641 4.684 3.960 0.138 0.000 0.239 12 G HA3 0.641 4.684 3.960 0.138 0.000 0.239 12 G C 1.088 175.995 174.900 0.012 0.000 1.233 12 G CA 1.068 46.177 45.100 0.014 0.000 0.847 12 G HN 2.667 nan 8.290 nan 0.000 0.588 13 G N -0.159 108.648 108.800 0.013 0.000 2.698 13 G HA2 -0.026 4.017 3.960 0.138 0.000 0.233 13 G HA3 -0.026 4.017 3.960 0.138 0.000 0.233 13 G C 0.071 174.975 174.900 0.006 0.000 1.352 13 G CA 0.341 45.446 45.100 0.008 0.000 0.879 13 G HN 1.190 nan 8.290 nan 0.000 0.567 42 D N 0.323 120.703 120.400 -0.034 0.000 4.559 42 D HA 0.341 5.064 4.640 0.138 0.000 0.212 42 D C -0.009 176.258 176.300 -0.054 0.000 1.399 42 D CA 0.527 54.496 54.000 -0.051 0.000 0.822 42 D CB -0.473 40.292 40.800 -0.058 0.000 1.402 42 D HN 0.809 nan 8.370 nan 0.000 0.901 43 D N 0.233 120.610 120.400 -0.039 0.000 2.360 43 D HA 0.443 5.166 4.640 0.138 0.000 0.210 43 D C 1.239 177.518 176.300 -0.035 0.000 1.047 43 D CA 1.138 55.120 54.000 -0.031 0.000 0.854 43 D CB 1.580 42.374 40.800 -0.011 0.000 0.936 43 D HN 1.185 nan 8.370 nan 0.000 0.514 44 G N 0.330 109.101 108.800 -0.047 0.000 2.326 44 G HA2 0.376 4.419 3.960 0.138 0.000 0.478 44 G HA3 0.376 4.419 3.960 0.138 0.000 0.478 44 G C -1.631 173.256 174.900 -0.023 0.000 1.551 44 G CA -0.429 44.643 45.100 -0.047 0.000 0.946 44 G HN 0.273 nan 8.290 nan 0.000 0.671 45 A N 0.491 123.308 122.820 -0.005 0.000 2.337 45 A HA 1.016 5.419 4.320 0.138 0.000 0.331 45 A C 0.484 178.111 177.584 0.072 0.000 1.137 45 A CA 0.214 52.272 52.037 0.034 0.000 0.807 45 A CB 1.551 20.578 19.000 0.044 0.000 1.250 45 A HN 2.216 nan 8.150 nan 0.000 0.468 46 T N -0.627 113.965 114.554 0.064 0.000 2.824 46 T HA 0.735 5.168 4.350 0.138 0.000 0.280 46 T C -0.519 174.241 174.700 0.100 0.000 0.995 46 T CA -0.343 61.802 62.100 0.076 0.000 1.009 46 T CB 0.567 69.467 68.868 0.054 0.000 0.955 46 T HN 0.420 nan 8.240 nan 0.000 0.452 47 I N 4.118 124.754 120.570 0.110 0.000 2.468 47 I HA 0.360 4.613 4.170 0.138 0.000 0.285 47 I C -2.403 173.791 176.117 0.127 0.000 1.039 47 I CA -2.770 58.596 61.300 0.111 0.000 1.074 47 I CB 2.693 40.746 38.000 0.089 0.000 1.228 47 I HN 0.461 nan 8.210 nan 0.000 0.436 48 P HA 0.066 nan 4.420 nan 0.000 0.268 48 P C -0.963 176.387 177.300 0.084 0.000 1.204 48 P CA 0.141 63.253 63.100 0.019 0.000 0.768 48 P CB 0.722 32.426 31.700 0.006 0.000 0.842 49 F N 3.120 122.955 119.950 -0.192 0.000 2.810 49 F HA 0.432 5.042 4.527 0.139 0.000 0.373 49 F C 0.963 176.671 175.800 -0.153 0.000 1.174 49 F CA 0.665 58.580 58.000 -0.140 0.000 1.141 49 F CB 0.783 39.710 39.000 -0.121 0.000 1.420 49 F HN 0.721 nan 8.300 nan 0.000 0.518 50 G N 4.113 112.763 108.800 -0.249 0.000 2.565 50 G HA2 -0.372 3.671 3.960 0.138 0.000 0.295 50 G HA3 -0.372 3.671 3.960 0.138 0.000 0.295 50 G C 0.791 175.603 174.900 -0.148 0.000 1.165 50 G CA 0.621 45.602 45.100 -0.199 0.000 0.977 50 G HN 0.433 nan 8.290 nan 0.000 0.546 51 D N 1.486 121.818 120.400 -0.114 0.000 2.333 51 D HA 0.150 4.873 4.640 0.138 0.000 0.208 51 D C 1.442 177.634 176.300 -0.181 0.000 0.984 51 D CA 0.980 54.911 54.000 -0.116 0.000 0.873 51 D CB 0.319 41.080 40.800 -0.066 0.000 0.935 51 D HN 0.437 nan 8.370 nan 0.000 0.521 52 K N -0.178 120.118 120.400 -0.173 0.000 2.288 52 K HA 0.343 4.746 4.320 0.138 0.000 0.234 52 K C -0.197 176.161 176.600 -0.404 0.000 1.037 52 K CA -0.635 55.523 56.287 -0.214 0.000 0.914 52 K CB 1.528 33.992 32.500 -0.060 0.000 1.197 52 K HN -0.018 nan 8.250 nan 0.000 0.471 53 H N 0.739 119.796 119.070 -0.023 0.000 2.589 53 H HA 0.333 4.971 4.556 0.138 0.000 0.335 53 H C -0.626 174.662 175.328 -0.067 0.000 1.019 53 H CA -0.538 55.495 56.048 -0.024 0.000 1.213 53 H CB 1.092 30.826 29.762 -0.046 0.000 1.472 53 H HN 0.291 nan 8.280 nan 0.000 0.508 54 I N 3.342 123.922 120.570 0.016 0.000 2.353 54 I HA 0.168 4.421 4.170 0.138 0.000 0.293 54 I C 0.097 176.205 176.117 -0.014 0.000 0.992 54 I CA -0.791 60.459 61.300 -0.084 0.000 1.268 54 I CB 1.553 39.413 38.000 -0.233 0.000 1.387 54 I HN 0.152 nan 8.210 nan 0.000 0.478 55 V N 6.727 126.627 119.914 -0.024 0.000 2.513 55 V HA 0.410 4.613 4.120 0.138 0.000 0.299 55 V C -0.706 175.447 176.094 0.099 0.000 1.035 55 V CA -0.631 61.686 62.300 0.029 0.000 0.889 55 V CB 1.915 33.730 31.823 -0.014 0.000 0.988 55 V HN 0.400 nan 8.190 nan 0.000 0.440 56 F N 3.406 123.320 119.950 -0.059 0.000 2.539 56 F HA 0.766 5.377 4.527 0.139 0.000 0.318 56 F C -0.233 175.542 175.800 -0.042 0.000 1.135 56 F CA -0.505 57.462 58.000 -0.056 0.000 0.915 56 F CB 1.909 40.879 39.000 -0.049 0.000 1.176 56 F HN 0.532 nan 8.300 nan 0.000 0.440 57 T N 6.916 121.446 114.554 -0.041 0.000 2.883 57 T HA 0.754 5.187 4.350 0.138 0.000 0.301 57 T C -1.780 172.781 174.700 -0.232 0.000 1.158 57 T CA -0.517 61.468 62.100 -0.191 0.000 1.007 57 T CB 1.385 70.214 68.868 -0.065 0.000 1.186 57 T HN 0.679 nan 8.240 nan 0.000 0.499 58 I N 2.121 122.553 120.570 -0.231 0.000 2.827 58 I HA 0.665 4.918 4.170 0.138 0.000 0.298 58 I C -2.058 173.980 176.117 -0.132 0.000 1.235 58 I CA -0.523 60.676 61.300 -0.168 0.000 1.021 58 I CB 2.223 40.091 38.000 -0.220 0.000 1.259 58 I HN 0.687 nan 8.210 nan 0.000 0.427 59 D N 3.845 124.181 120.400 -0.107 0.000 2.927 59 D HA 0.573 5.296 4.640 0.138 0.000 0.219 59 D C -0.810 175.317 176.300 -0.289 0.000 1.248 59 D CA -0.035 53.851 54.000 -0.190 0.000 0.861 59 D CB 2.284 42.991 40.800 -0.154 0.000 1.677 59 D HN 0.710 nan 8.370 nan 0.000 0.511 60 G N 1.427 110.003 108.800 -0.374 0.000 2.412 60 G HA2 0.534 4.577 3.960 0.138 0.000 0.318 60 G HA3 0.534 4.577 3.960 0.138 0.000 0.318 60 G C -0.875 173.647 174.900 -0.630 0.000 1.146 60 G CA -0.369 44.523 45.100 -0.346 0.000 0.882 60 G HN 0.482 nan 8.290 nan 0.000 0.501 61 H N 0.533 119.588 119.070 -0.024 0.000 2.609 61 H HA 0.361 4.998 4.556 0.136 0.000 0.344 61 H C -0.055 175.303 175.328 0.049 0.000 1.040 61 H CA -0.240 55.813 56.048 0.009 0.000 1.216 61 H CB 2.097 31.882 29.762 0.040 0.000 1.529 61 H HN 0.614 nan 8.280 nan 0.000 0.519 62 T N -0.544 114.077 114.554 0.111 0.000 3.288 62 T HA 0.094 4.527 4.350 0.138 0.000 0.293 62 T C 0.558 175.378 174.700 0.199 0.000 1.008 62 T CA -0.318 61.867 62.100 0.141 0.000 0.929 62 T CB -0.203 68.572 68.868 -0.155 0.000 1.152 62 T HN 0.234 nan 8.240 nan 0.000 0.517 63 V N 2.149 122.179 119.914 0.194 0.000 2.720 63 V HA 0.497 4.700 4.120 0.138 0.000 0.307 63 V C 0.130 176.330 176.094 0.177 0.000 1.071 63 V CA 1.122 63.521 62.300 0.165 0.000 1.199 63 V CB -0.213 31.720 31.823 0.183 0.000 0.900 63 V HN 0.892 nan 8.190 nan 0.000 0.494 64 K N 7.604 128.090 120.400 0.144 0.000 2.535 64 K HA 0.737 5.140 4.320 0.138 0.000 0.250 64 K C -2.286 174.391 176.600 0.130 0.000 0.948 64 K CA -0.958 55.415 56.287 0.142 0.000 0.796 64 K CB 1.245 33.826 32.500 0.134 0.000 1.216 64 K HN 0.801 nan 8.250 nan 0.000 0.432 65 P HA 0.313 nan 4.420 nan 0.000 0.273 65 P C 0.512 177.925 177.300 0.187 0.000 1.250 65 P CA -0.608 62.590 63.100 0.164 0.000 0.793 65 P CB 0.692 32.494 31.700 0.170 0.000 1.011 66 L N -1.193 120.127 121.223 0.162 0.000 2.275 66 L HA 0.009 4.431 4.340 0.138 0.000 0.215 66 L C 0.742 177.468 176.870 -0.240 0.000 1.119 66 L CA 1.052 55.910 54.840 0.030 0.000 0.790 66 L CB -0.449 41.628 42.059 0.029 0.000 0.919 66 L HN 0.236 nan 8.230 nan 0.000 0.443 67 F N -0.555 119.388 119.950 -0.013 0.000 2.495 67 F HA 0.502 5.111 4.527 0.136 0.000 0.327 67 F C -0.081 175.648 175.800 -0.118 0.000 1.103 67 F CA -1.114 56.772 58.000 -0.190 0.000 0.949 67 F CB 1.804 40.716 39.000 -0.148 0.000 1.142 67 F HN -0.216 nan 8.300 nan 0.000 0.457 68 F N 0.300 120.257 119.950 0.012 0.000 2.685 68 F HA 0.773 5.380 4.527 0.133 0.000 0.315 68 F C -3.215 172.546 175.800 -0.066 0.000 1.126 68 F CA -3.738 54.187 58.000 -0.124 0.000 0.950 68 F CB 0.168 39.095 39.000 -0.122 0.000 1.360 68 F HN 0.063 nan 8.300 nan 0.000 0.469 69 P HA 0.284 nan 4.420 nan 0.000 0.261 69 P C 0.640 178.083 177.300 0.238 0.000 1.203 69 P CA 1.580 64.775 63.100 0.157 0.000 0.767 69 P CB 0.514 32.308 31.700 0.156 0.000 0.785 70 G N 2.032 110.905 108.800 0.122 0.000 2.175 70 G HA2 0.016 4.059 3.960 0.138 0.000 0.244 70 G HA3 0.016 4.059 3.960 0.138 0.000 0.244 70 G C 0.370 175.302 174.900 0.054 0.000 0.982 70 G CA -0.200 44.977 45.100 0.128 0.000 0.641 70 G HN 0.969 nan 8.290 nan 0.000 0.527 71 G N -0.746 107.904 108.800 -0.251 0.000 2.348 71 G HA2 0.750 4.793 3.960 0.138 0.000 0.296 71 G HA3 0.750 4.793 3.960 0.138 0.000 0.296 71 G C -1.484 172.599 174.900 -1.362 0.000 1.258 71 G CA 0.750 45.494 45.100 -0.592 0.000 0.868 71 G HN 1.522 nan 8.290 nan 0.000 0.488 72 D N -2.425 117.237 120.400 -1.230 0.000 2.692 72 D HA 0.340 5.063 4.640 0.138 0.000 0.290 72 D C 0.939 176.953 176.300 -0.477 0.000 1.281 72 D CA -0.623 52.696 54.000 -1.134 0.000 0.804 72 D CB 1.097 41.173 40.800 -1.206 0.000 1.331 72 D HN 0.599 nan 8.370 nan 0.000 0.432 73 I N 0.282 120.655 120.570 -0.328 0.000 2.423 73 I HA -0.078 4.175 4.170 0.138 0.000 0.254 73 I C 1.799 177.828 176.117 -0.147 0.000 1.151 73 I CA 2.046 63.290 61.300 -0.093 0.000 1.421 73 I CB -0.244 37.734 38.000 -0.038 0.000 1.079 73 I HN 0.628 nan 8.210 nan 0.000 0.431 74 G N 0.240 108.915 108.800 -0.207 0.000 2.404 74 G HA2 -0.265 3.778 3.960 0.138 0.000 0.214 74 G HA3 -0.265 3.778 3.960 0.138 0.000 0.214 74 G C 1.746 176.572 174.900 -0.124 0.000 1.189 74 G CA 0.641 45.660 45.100 -0.136 0.000 0.789 74 G HN 0.346 nan 8.290 nan 0.000 0.533 75 R N -0.340 120.077 120.500 -0.137 0.000 2.096 75 R HA -0.004 4.419 4.340 0.138 0.000 0.235 75 R C 2.428 178.677 176.300 -0.085 0.000 1.127 75 R CA 1.253 57.300 56.100 -0.089 0.000 0.968 75 R CB -0.338 29.913 30.300 -0.083 0.000 0.861 75 R HN 0.351 nan 8.270 nan 0.000 0.440 76 L N 0.456 121.623 121.223 -0.095 0.000 2.056 76 L HA -0.012 4.411 4.340 0.138 0.000 0.207 76 L C 2.207 178.828 176.870 -0.415 0.000 1.078 76 L CA 2.110 56.851 54.840 -0.166 0.000 0.749 76 L CB -0.633 41.382 42.059 -0.073 0.000 0.901 76 L HN 0.211 nan 8.230 nan 0.000 0.433 77 A N -1.033 121.510 122.820 -0.462 0.000 1.877 77 A HA -0.129 4.274 4.320 0.138 0.000 0.216 77 A C 2.237 179.735 177.584 -0.143 0.000 1.186 77 A CA 2.048 53.819 52.037 -0.444 0.000 0.620 77 A CB -1.094 17.820 19.000 -0.144 0.000 0.822 77 A HN 0.307 nan 8.150 nan 0.000 0.443 78 V N -0.218 119.639 119.914 -0.095 0.000 2.358 78 V HA -0.189 4.014 4.120 0.138 0.000 0.246 78 V C 2.786 178.864 176.094 -0.027 0.000 1.047 78 V CA 2.260 64.538 62.300 -0.038 0.000 1.035 78 V CB -0.786 31.021 31.823 -0.026 0.000 0.658 78 V HN 0.549 nan 8.190 nan 0.000 0.452 79 S N 0.693 116.368 115.700 -0.043 0.000 2.356 79 S HA -0.124 4.429 4.470 0.138 0.000 0.223 79 S C 2.101 176.696 174.600 -0.007 0.000 1.032 79 S CA 1.405 59.596 58.200 -0.015 0.000 1.005 79 S CB -0.757 62.431 63.200 -0.020 0.000 0.867 79 S HN 0.682 nan 8.310 nan 0.000 0.449 80 G N 1.216 109.998 108.800 -0.030 0.000 2.418 80 G HA2 -0.199 3.844 3.960 0.138 0.000 0.217 80 G HA3 -0.199 3.844 3.960 0.138 0.000 0.217 80 G C 1.463 176.392 174.900 0.049 0.000 1.158 80 G CA 1.541 46.656 45.100 0.026 0.000 0.771 80 G HN 0.487 nan 8.290 nan 0.000 0.545 81 T N 0.688 115.272 114.554 0.051 0.000 2.737 81 T HA -0.084 4.349 4.350 0.138 0.000 0.265 81 T C 2.552 177.259 174.700 0.013 0.000 1.038 81 T CA 1.131 63.252 62.100 0.036 0.000 1.144 81 T CB -0.275 68.614 68.868 0.036 0.000 0.866 81 T HN 0.046 nan 8.240 nan 0.000 0.434 82 V N 2.672 122.592 119.914 0.010 0.000 2.332 82 V HA -0.192 4.011 4.120 0.138 0.000 0.248 82 V C 2.351 178.470 176.094 0.041 0.000 1.055 82 V CA 1.583 63.885 62.300 0.004 0.000 1.038 82 V CB -0.618 31.222 31.823 0.028 0.000 0.651 82 V HN 0.454 nan 8.190 nan 0.000 0.450 83 N N 0.082 118.818 118.700 0.059 0.000 2.244 83 N HA -0.127 4.696 4.740 0.138 0.000 0.183 83 N C 1.506 177.059 175.510 0.072 0.000 1.016 83 N CA 1.310 54.411 53.050 0.084 0.000 0.866 83 N CB -0.423 38.102 38.487 0.064 0.000 0.980 83 N HN 0.465 nan 8.380 nan 0.000 0.430 84 D N 0.513 120.938 120.400 0.042 0.000 2.178 84 D HA -0.019 4.704 4.640 0.138 0.000 0.202 84 D C 2.060 178.374 176.300 0.023 0.000 0.974 84 D CA 0.394 54.412 54.000 0.029 0.000 0.841 84 D CB -0.041 40.766 40.800 0.011 0.000 0.953 84 D HN 0.251 nan 8.370 nan 0.000 0.478 85 L N 0.503 121.727 121.223 0.002 0.000 2.072 85 L HA -0.041 4.382 4.340 0.138 0.000 0.205 85 L C 2.533 179.398 176.870 -0.009 0.000 1.079 85 L CA 0.875 55.691 54.840 -0.040 0.000 0.752 85 L CB -0.383 41.606 42.059 -0.117 0.000 0.906 85 L HN -0.049 nan 8.230 nan 0.000 0.436 86 A N 0.331 123.195 122.820 0.074 0.000 1.940 86 A HA -0.178 4.224 4.320 0.138 0.000 0.219 86 A C 2.204 179.981 177.584 0.322 0.000 1.176 86 A CA 1.954 54.180 52.037 0.314 0.000 0.631 86 A CB -0.953 18.339 19.000 0.485 0.000 0.814 86 A HN 0.346 nan 8.150 nan 0.000 0.446 87 V N -3.670 116.361 119.914 0.195 0.000 3.305 87 V HA -0.019 4.184 4.120 0.138 0.000 0.269 87 V C 1.578 177.757 176.094 0.142 0.000 1.157 87 V CA 1.335 63.738 62.300 0.171 0.000 1.157 87 V CB -0.658 31.233 31.823 0.114 0.000 0.772 87 V HN 0.427 nan 8.190 nan 0.000 0.498 88 M N 0.794 120.456 119.600 0.104 0.000 2.428 88 M HA 0.408 4.971 4.480 0.138 0.000 0.239 88 M C 1.685 177.997 176.300 0.019 0.000 1.121 88 M CA 0.810 56.138 55.300 0.047 0.000 1.019 88 M CB -0.324 32.279 32.600 0.004 0.000 1.485 88 M HN 0.708 nan 8.290 nan 0.000 0.484 89 G N 1.205 110.072 108.800 0.111 0.000 2.143 89 G HA2 -0.177 3.866 3.960 0.138 0.000 0.249 89 G HA3 -0.177 3.866 3.960 0.138 0.000 0.249 89 G C 0.225 175.036 174.900 -0.148 0.000 0.981 89 G CA 0.292 45.368 45.100 -0.039 0.000 0.665 89 G HN 0.748 nan 8.290 nan 0.000 0.528 90 A N 0.189 122.939 122.820 -0.117 0.000 2.274 90 A HA 0.675 5.078 4.320 0.138 0.000 0.309 90 A C 0.409 177.582 177.584 -0.685 0.000 1.226 90 A CA 0.225 52.090 52.037 -0.286 0.000 0.853 90 A CB 0.619 19.497 19.000 -0.203 0.000 1.146 90 A HN 0.661 nan 8.150 nan 0.000 0.518 91 E N 3.805 123.590 120.200 -0.692 0.000 2.324 91 E HA 0.210 4.643 4.350 0.138 0.000 0.271 91 E C -2.402 173.808 176.600 -0.649 0.000 1.028 91 E CA -1.614 54.185 56.400 -1.002 0.000 0.890 91 E CB 0.458 29.992 29.700 -0.276 0.000 1.004 91 E HN 0.304 nan 8.360 nan 0.000 0.431 92 P HA -0.019 nan 4.420 nan 0.000 0.271 92 P C -0.080 177.079 177.300 -0.236 0.000 1.220 92 P CA -0.074 62.803 63.100 -0.371 0.000 0.768 92 P CB 0.597 32.109 31.700 -0.315 0.000 0.848 93 I N 1.733 122.202 120.570 -0.168 0.000 3.883 93 I HA 0.338 4.591 4.170 0.138 0.000 0.305 93 I C 0.816 176.880 176.117 -0.088 0.000 1.247 93 I CA 0.329 61.557 61.300 -0.120 0.000 1.350 93 I CB -0.562 37.362 38.000 -0.127 0.000 1.194 93 I HN 0.288 nan 8.210 nan 0.000 0.441 94 A N 0.942 123.712 122.820 -0.083 0.000 2.594 94 A HA 0.721 5.124 4.320 0.138 0.000 0.296 94 A C -1.412 176.150 177.584 -0.036 0.000 1.061 94 A CA -0.414 51.589 52.037 -0.056 0.000 0.689 94 A CB 1.266 20.229 19.000 -0.061 0.000 1.280 94 A HN 0.028 nan 8.150 nan 0.000 0.406 95 L N 0.724 121.936 121.223 -0.019 0.000 2.341 95 L HA 0.895 5.318 4.340 0.138 0.000 0.267 95 L C 0.229 177.105 176.870 0.011 0.000 1.009 95 L CA -0.890 53.951 54.840 0.002 0.000 0.819 95 L CB 2.218 44.278 42.059 0.002 0.000 1.323 95 L HN 0.963 nan 8.230 nan 0.000 0.425 96 A N 1.639 124.476 122.820 0.029 0.000 2.356 96 A HA 0.686 5.089 4.320 0.138 0.000 0.310 96 A C -1.238 176.369 177.584 0.039 0.000 1.075 96 A CA -0.517 51.540 52.037 0.033 0.000 0.746 96 A CB 1.479 20.507 19.000 0.046 0.000 1.221 96 A HN 0.690 nan 8.150 nan 0.000 0.443 97 N N 0.794 119.514 118.700 0.034 0.000 2.354 97 N HA 0.521 5.344 4.740 0.138 0.000 0.287 97 N C -0.994 174.540 175.510 0.041 0.000 1.016 97 N CA -0.026 53.048 53.050 0.039 0.000 0.871 97 N CB 1.927 40.433 38.487 0.032 0.000 1.299 97 N HN 0.528 nan 8.380 nan 0.000 0.482 98 S N 3.817 119.547 115.700 0.051 0.000 2.449 98 S HA 0.632 5.185 4.470 0.138 0.000 0.310 98 S C -0.799 173.841 174.600 0.066 0.000 1.096 98 S CA -0.690 57.541 58.200 0.052 0.000 1.095 98 S CB 0.212 63.442 63.200 0.050 0.000 1.007 98 S HN 0.574 nan 8.310 nan 0.000 0.474 99 M N 4.841 124.476 119.600 0.059 0.000 2.393 99 M HA 0.541 5.104 4.480 0.138 0.000 0.316 99 M C -1.095 175.243 176.300 0.063 0.000 1.087 99 M CA -0.465 54.875 55.300 0.066 0.000 0.937 99 M CB 1.989 34.616 32.600 0.044 0.000 1.668 99 M HN 0.520 nan 8.290 nan 0.000 0.438 100 I N 4.075 124.692 120.570 0.079 0.000 2.410 100 I HA 0.510 4.763 4.170 0.138 0.000 0.286 100 I C -1.019 175.076 176.117 -0.037 0.000 1.009 100 I CA -0.524 60.808 61.300 0.053 0.000 1.111 100 I CB 1.723 39.808 38.000 0.141 0.000 1.262 100 I HN 0.663 nan 8.210 nan 0.000 0.443 101 I N 4.585 125.128 120.570 -0.046 0.000 2.646 101 I HA 0.653 4.906 4.170 0.138 0.000 0.299 101 I C 0.381 176.447 176.117 -0.085 0.000 1.036 101 I CA -0.419 60.833 61.300 -0.080 0.000 1.074 101 I CB 1.897 39.875 38.000 -0.037 0.000 1.258 101 I HN 0.603 nan 8.210 nan 0.000 0.430 102 G N 4.148 112.882 108.800 -0.110 0.000 2.444 102 G HA2 0.180 4.223 3.960 0.138 0.000 0.268 102 G HA3 0.180 4.223 3.960 0.138 0.000 0.268 102 G C 0.380 175.253 174.900 -0.046 0.000 1.203 102 G CA -0.271 44.779 45.100 -0.083 0.000 0.835 102 G HN 0.856 nan 8.290 nan 0.000 0.543 103 E N 1.464 121.645 120.200 -0.031 0.000 2.171 103 E HA -0.149 4.284 4.350 0.138 0.000 0.197 103 E C 2.364 178.954 176.600 -0.017 0.000 0.997 103 E CA 1.119 57.508 56.400 -0.019 0.000 0.810 103 E CB 0.040 29.732 29.700 -0.013 0.000 0.738 103 E HN 0.571 nan 8.360 nan 0.000 0.467 104 G N 0.937 109.726 108.800 -0.020 0.000 2.920 104 G HA2 -0.022 4.021 3.960 0.138 0.000 0.208 104 G HA3 -0.022 4.021 3.960 0.138 0.000 0.208 104 G C 0.463 175.355 174.900 -0.013 0.000 1.159 104 G CA -0.359 44.732 45.100 -0.014 0.000 0.784 104 G HN 0.030 nan 8.290 nan 0.000 0.535 105 L N 1.541 122.753 121.223 -0.017 0.000 2.455 105 L HA 0.250 4.673 4.340 0.138 0.000 0.272 105 L C 0.108 176.977 176.870 -0.002 0.000 1.174 105 L CA -0.811 54.023 54.840 -0.010 0.000 0.869 105 L CB 0.749 42.799 42.059 -0.015 0.000 1.130 105 L HN 0.107 nan 8.230 nan 0.000 0.474 106 D N 3.788 124.190 120.400 0.003 0.000 2.425 106 D HA -0.029 4.694 4.640 0.138 0.000 0.247 106 D C 1.108 177.411 176.300 0.006 0.000 1.147 106 D CA -0.058 53.943 54.000 0.001 0.000 0.879 106 D CB 0.958 41.757 40.800 -0.003 0.000 1.179 106 D HN 0.657 nan 8.370 nan 0.000 0.456 107 M N 3.206 122.807 119.600 0.003 0.000 2.202 107 M HA -0.154 4.409 4.480 0.138 0.000 0.262 107 M C 1.582 177.887 176.300 0.009 0.000 1.063 107 M CA 1.800 57.103 55.300 0.006 0.000 1.097 107 M CB -0.431 32.170 32.600 0.002 0.000 1.382 107 M HN 0.622 nan 8.290 nan 0.000 0.413 108 E N -0.783 119.417 120.200 0.001 0.000 2.150 108 E HA -0.106 4.327 4.350 0.138 0.000 0.193 108 E C 1.716 178.320 176.600 0.006 0.000 0.985 108 E CA 1.479 57.875 56.400 -0.006 0.000 0.814 108 E CB -0.332 29.352 29.700 -0.026 0.000 0.752 108 E HN 0.400 nan 8.360 nan 0.000 0.466 109 V N 0.633 120.559 119.914 0.020 0.000 2.307 109 V HA -0.205 3.998 4.120 0.138 0.000 0.245 109 V C 2.360 178.528 176.094 0.124 0.000 1.045 109 V CA 1.589 63.936 62.300 0.078 0.000 1.024 109 V CB -0.607 31.271 31.823 0.092 0.000 0.651 109 V HN 0.345 nan 8.190 nan 0.000 0.449 110 L N 0.352 121.617 121.223 0.071 0.000 2.012 110 L HA -0.190 4.233 4.340 0.138 0.000 0.210 110 L C 2.385 179.290 176.870 0.059 0.000 1.073 110 L CA 2.026 56.901 54.840 0.058 0.000 0.748 110 L CB -0.795 41.283 42.059 0.031 0.000 0.891 110 L HN 0.215 nan 8.230 nan 0.000 0.431 111 K N -0.788 119.639 120.400 0.046 0.000 2.103 111 K HA -0.202 4.201 4.320 0.138 0.000 0.207 111 K C 2.311 178.946 176.600 0.058 0.000 1.048 111 K CA 1.839 58.149 56.287 0.038 0.000 0.930 111 K CB -0.297 32.216 32.500 0.022 0.000 0.716 111 K HN 0.479 nan 8.250 nan 0.000 0.444 112 R N 0.983 121.537 120.500 0.089 0.000 2.092 112 R HA -0.054 4.369 4.340 0.138 0.000 0.231 112 R C 2.264 178.678 176.300 0.191 0.000 1.119 112 R CA 1.621 57.805 56.100 0.139 0.000 0.970 112 R CB -1.460 28.927 30.300 0.144 0.000 0.864 112 R HN 0.029 nan 8.270 nan 0.000 0.440 113 V N 1.162 121.186 119.914 0.185 0.000 2.358 113 V HA -0.173 4.030 4.120 0.138 0.000 0.246 113 V C 2.614 178.720 176.094 0.020 0.000 1.047 113 V CA 1.790 64.121 62.300 0.052 0.000 1.035 113 V CB -0.431 31.394 31.823 0.003 0.000 0.658 113 V HN 0.504 nan 8.190 nan 0.000 0.452 114 L N -0.487 120.756 121.223 0.033 0.000 2.083 114 L HA -0.188 4.235 4.340 0.138 0.000 0.209 114 L C 2.598 179.479 176.870 0.018 0.000 1.083 114 L CA 1.624 56.476 54.840 0.020 0.000 0.752 114 L CB -0.635 41.437 42.059 0.022 0.000 0.899 114 L HN 0.295 nan 8.230 nan 0.000 0.433 115 K N -0.685 119.732 120.400 0.030 0.000 2.097 115 K HA -0.158 4.245 4.320 0.138 0.000 0.206 115 K C 2.404 179.015 176.600 0.019 0.000 1.049 115 K CA 1.536 57.838 56.287 0.025 0.000 0.933 115 K CB -0.228 32.291 32.500 0.031 0.000 0.717 115 K HN 0.131 nan 8.250 nan 0.000 0.442 116 S N 0.915 116.627 115.700 0.020 0.000 2.368 116 S HA -0.077 4.476 4.470 0.138 0.000 0.224 116 S C 1.999 176.588 174.600 -0.018 0.000 1.029 116 S CA 0.937 59.136 58.200 -0.002 0.000 0.988 116 S CB -0.035 63.149 63.200 -0.026 0.000 0.838 116 S HN 0.172 nan 8.310 nan 0.000 0.462 117 M N 0.757 120.344 119.600 -0.021 0.000 2.117 117 M HA -0.123 4.440 4.480 0.138 0.000 0.262 117 M C 2.065 178.361 176.300 -0.007 0.000 1.065 117 M CA 2.046 57.334 55.300 -0.021 0.000 1.114 117 M CB -0.651 31.939 32.600 -0.016 0.000 1.361 117 M HN 0.388 nan 8.290 nan 0.000 0.408 118 D N 0.478 120.878 120.400 0.000 0.000 2.097 118 D HA -0.224 4.499 4.640 0.138 0.000 0.195 118 D C 2.026 178.330 176.300 0.007 0.000 0.989 118 D CA 1.324 55.327 54.000 0.005 0.000 0.827 118 D CB -0.035 40.770 40.800 0.008 0.000 0.966 118 D HN 0.205 nan 8.370 nan 0.000 0.456 119 E N -0.355 119.849 120.200 0.007 0.000 2.077 119 E HA -0.148 4.285 4.350 0.138 0.000 0.193 119 E C 1.940 178.546 176.600 0.010 0.000 0.989 119 E CA 1.478 57.884 56.400 0.009 0.000 0.800 119 E CB -0.340 29.366 29.700 0.010 0.000 0.746 119 E HN 0.333 nan 8.360 nan 0.000 0.452 120 T N 0.899 115.455 114.554 0.004 0.000 2.746 120 T HA -0.056 4.377 4.350 0.138 0.000 0.267 120 T C 1.901 176.610 174.700 0.014 0.000 1.039 120 T CA 1.567 63.671 62.100 0.006 0.000 1.142 120 T CB -0.314 68.550 68.868 -0.008 0.000 0.866 120 T HN 0.322 nan 8.240 nan 0.000 0.444 121 A N 1.690 124.516 122.820 0.009 0.000 1.972 121 A HA -0.083 4.320 4.320 0.138 0.000 0.219 121 A C 2.329 179.926 177.584 0.021 0.000 1.169 121 A CA 1.222 53.267 52.037 0.012 0.000 0.635 121 A CB -0.454 18.549 19.000 0.005 0.000 0.810 121 A HN 0.401 nan 8.150 nan 0.000 0.446 122 R N -0.275 120.237 120.500 0.020 0.000 2.235 122 R HA -0.053 4.370 4.340 0.138 0.000 0.213 122 R C 1.641 177.961 176.300 0.034 0.000 1.059 122 R CA 1.143 57.258 56.100 0.025 0.000 0.997 122 R CB -0.149 30.163 30.300 0.019 0.000 0.884 122 R HN 0.665 nan 8.270 nan 0.000 0.462 123 E N 0.040 120.262 120.200 0.037 0.000 2.274 123 E HA -0.099 4.334 4.350 0.138 0.000 0.194 123 E C 1.732 178.375 176.600 0.072 0.000 0.996 123 E CA 0.724 57.153 56.400 0.047 0.000 0.840 123 E CB 0.241 29.967 29.700 0.044 0.000 0.772 123 E HN 0.119 nan 8.360 nan 0.000 0.491 124 V N 1.684 121.646 119.914 0.080 0.000 2.239 124 V HA -0.064 4.139 4.120 0.138 0.000 0.242 124 V C -1.241 174.944 176.094 0.152 0.000 1.038 124 V CA 1.160 63.536 62.300 0.126 0.000 1.002 124 V CB -1.291 30.587 31.823 0.092 0.000 0.641 124 V HN 0.291 nan 8.190 nan 0.000 0.449 125 P HA 0.562 nan 4.420 nan 0.000 0.290 125 P C -1.385 175.937 177.300 0.036 0.000 1.283 125 P CA -0.208 62.928 63.100 0.059 0.000 0.869 125 P CB 2.735 34.464 31.700 0.049 0.000 1.100 126 V N 2.459 122.381 119.914 0.014 0.000 2.891 126 V HA 0.436 4.639 4.120 0.138 0.000 0.304 126 V C -2.779 173.310 176.094 -0.008 0.000 1.171 126 V CA -2.078 60.215 62.300 -0.012 0.000 0.943 126 V CB 2.499 34.300 31.823 -0.037 0.000 1.037 126 V HN 0.526 nan 8.190 nan 0.000 0.427 127 P HA 0.436 nan 4.420 nan 0.000 0.279 127 P C -0.653 176.640 177.300 -0.011 0.000 1.239 127 P CA -0.187 62.907 63.100 -0.010 0.000 0.789 127 P CB 1.053 32.746 31.700 -0.012 0.000 0.933 128 I N 3.183 123.750 120.570 -0.005 0.000 2.281 128 I HA 0.027 4.280 4.170 0.138 0.000 0.293 128 I C 1.707 177.822 176.117 -0.003 0.000 1.085 128 I CA -0.438 60.861 61.300 -0.002 0.000 1.257 128 I CB 1.078 39.080 38.000 0.003 0.000 1.430 128 I HN 0.174 nan 8.210 nan 0.000 0.489 129 V N 1.601 121.510 119.914 -0.007 0.000 3.235 129 V HA 0.176 4.379 4.120 0.138 0.000 0.259 129 V C 0.669 176.760 176.094 -0.006 0.000 1.133 129 V CA 0.799 63.093 62.300 -0.010 0.000 1.128 129 V CB 0.169 31.979 31.823 -0.021 0.000 0.757 129 V HN 0.763 nan 8.190 nan 0.000 0.469 130 T N -1.776 112.779 114.554 0.000 0.000 2.749 130 T HA 0.698 5.131 4.350 0.138 0.000 0.310 130 T C -0.514 174.193 174.700 0.012 0.000 1.496 130 T CA 0.235 62.337 62.100 0.004 0.000 1.006 130 T CB 1.368 70.236 68.868 0.001 0.000 1.457 130 T HN 1.043 nan 8.240 nan 0.000 0.497 131 G N 0.830 109.639 108.800 0.015 0.000 2.489 131 G HA2 0.557 4.599 3.960 0.138 0.000 0.305 131 G HA3 0.557 4.599 3.960 0.138 0.000 0.305 131 G C -2.193 172.719 174.900 0.021 0.000 1.311 131 G CA -0.187 44.926 45.100 0.021 0.000 0.813 131 G HN 0.856 nan 8.290 nan 0.000 0.480 132 D N -1.814 118.601 120.400 0.025 0.000 2.654 132 D HA 0.659 5.382 4.640 0.138 0.000 0.231 132 D C -1.054 175.262 176.300 0.027 0.000 1.239 132 D CA -0.139 53.876 54.000 0.025 0.000 0.790 132 D CB 2.214 43.030 40.800 0.027 0.000 1.480 132 D HN 0.414 nan 8.370 nan 0.000 0.442 133 T N 2.717 117.285 114.554 0.024 0.000 2.921 133 T HA 0.550 4.983 4.350 0.138 0.000 0.297 133 T C -1.046 173.667 174.700 0.021 0.000 1.013 133 T CA -0.905 61.210 62.100 0.024 0.000 0.990 133 T CB 1.438 70.317 68.868 0.018 0.000 1.023 133 T HN 0.142 nan 8.240 nan 0.000 0.447 134 K N 2.218 122.633 120.400 0.024 0.000 2.378 134 K HA 0.703 5.106 4.320 0.138 0.000 0.252 134 K C -1.026 175.581 176.600 0.012 0.000 0.931 134 K CA -0.713 55.586 56.287 0.021 0.000 0.794 134 K CB 2.759 35.276 32.500 0.030 0.000 1.181 134 K HN 0.366 nan 8.250 nan 0.000 0.425 135 V N 2.402 122.320 119.914 0.006 0.000 2.513 135 V HA 0.524 4.727 4.120 0.138 0.000 0.299 135 V C -0.035 176.057 176.094 -0.002 0.000 1.035 135 V CA -0.944 61.353 62.300 -0.003 0.000 0.889 135 V CB 1.777 33.597 31.823 -0.004 0.000 0.988 135 V HN 0.586 nan 8.190 nan 0.000 0.440 136 V N 1.527 121.434 119.914 -0.012 0.000 3.001 136 V HA 0.678 4.881 4.120 0.138 0.000 0.314 136 V C 0.849 176.935 176.094 -0.013 0.000 1.099 136 V CA -0.563 61.733 62.300 -0.006 0.000 0.989 136 V CB 2.148 33.972 31.823 0.000 0.000 1.040 136 V HN 0.802 nan 8.190 nan 0.000 0.434 137 E N 0.400 120.597 120.200 -0.004 0.000 2.216 137 E HA -0.045 4.388 4.350 0.138 0.000 0.192 137 E C 0.262 176.858 176.600 -0.007 0.000 0.988 137 E CA 0.384 56.782 56.400 -0.005 0.000 0.834 137 E CB -0.525 29.176 29.700 0.001 0.000 0.772 137 E HN 0.815 nan 8.360 nan 0.000 0.479 138 D N 2.237 122.635 120.400 -0.004 0.000 2.515 138 D HA -0.056 4.667 4.640 0.138 0.000 0.232 138 D C -0.287 176.001 176.300 -0.021 0.000 1.157 138 D CA 0.584 54.582 54.000 -0.002 0.000 0.871 138 D CB 0.549 41.356 40.800 0.011 0.000 1.200 138 D HN 0.027 nan 8.370 nan 0.000 0.466 139 K N 2.288 122.681 120.400 -0.011 0.000 2.278 139 K HA 0.257 4.660 4.320 0.138 0.000 0.237 139 K C 0.192 176.770 176.600 -0.036 0.000 1.229 139 K CA -0.044 56.232 56.287 -0.018 0.000 1.155 139 K CB -0.654 31.845 32.500 -0.001 0.000 1.590 139 K HN 0.338 nan 8.250 nan 0.000 0.290 140 I N -3.995 116.520 120.570 -0.092 0.000 3.170 140 I HA 0.420 4.673 4.170 0.138 0.000 0.312 140 I C 0.396 176.399 176.117 -0.190 0.000 1.085 140 I CA -0.955 60.233 61.300 -0.185 0.000 0.999 140 I CB 2.233 39.974 38.000 -0.431 0.000 1.233 140 I HN 0.080 nan 8.210 nan 0.000 0.467 141 E N 1.361 121.426 120.200 -0.225 0.000 2.110 141 E HA 0.303 4.736 4.350 0.138 0.000 0.194 141 E C -0.076 176.401 176.600 -0.205 0.000 0.944 141 E CA 0.426 56.740 56.400 -0.144 0.000 0.899 141 E CB 0.844 30.510 29.700 -0.056 0.000 0.907 141 E HN 0.641 nan 8.360 nan 0.000 0.473 142 M N 0.339 119.771 119.600 -0.280 0.000 2.373 142 M HA 0.314 4.877 4.480 0.138 0.000 0.290 142 M C -2.020 174.172 176.300 -0.180 0.000 1.143 142 M CA -0.389 54.772 55.300 -0.232 0.000 0.949 142 M CB 1.424 33.990 32.600 -0.057 0.000 1.756 142 M HN -0.105 nan 8.290 nan 0.000 0.494 143 F N 2.920 122.892 119.950 0.036 0.000 2.522 143 F HA 0.797 5.333 4.527 0.014 0.000 0.324 143 F C -0.410 175.418 175.800 0.047 0.000 1.077 143 F CA -1.042 56.984 58.000 0.043 0.000 0.944 143 F CB 2.189 41.207 39.000 0.030 0.000 1.175 143 F HN 0.255 nan 8.300 nan 0.000 0.468 144 V N 4.322 124.402 119.914 0.276 0.000 2.531 144 V HA 0.522 4.725 4.120 0.138 0.000 0.301 144 V C -0.751 175.458 176.094 0.192 0.000 1.034 144 V CA -0.615 61.796 62.300 0.185 0.000 0.865 144 V CB 1.945 33.849 31.823 0.136 0.000 0.995 144 V HN 0.474 nan 8.190 nan 0.000 0.424 145 I N 4.083 124.731 120.570 0.130 0.000 2.418 145 I HA 0.605 4.858 4.170 0.138 0.000 0.287 145 I C 0.210 176.378 176.117 0.086 0.000 1.008 145 I CA -0.072 61.279 61.300 0.085 0.000 1.104 145 I CB 2.342 40.361 38.000 0.032 0.000 1.264 145 I HN 0.753 nan 8.210 nan 0.000 0.438 146 T N 2.755 117.369 114.554 0.100 0.000 2.824 146 T HA 0.937 5.370 4.350 0.138 0.000 0.282 146 T C -0.431 174.298 174.700 0.048 0.000 0.993 146 T CA -0.818 61.328 62.100 0.077 0.000 0.967 146 T CB 1.814 70.736 68.868 0.091 0.000 0.960 146 T HN 0.653 nan 8.240 nan 0.000 0.441 147 A N 1.850 124.700 122.820 0.050 0.000 2.337 147 A HA 1.016 5.419 4.320 0.138 0.000 0.331 147 A C 0.236 177.870 177.584 0.085 0.000 1.137 147 A CA -0.693 51.381 52.037 0.061 0.000 0.807 147 A CB 1.381 20.457 19.000 0.125 0.000 1.250 147 A HN 1.439 nan 8.150 nan 0.000 0.468 148 G N -0.078 108.787 108.800 0.108 0.000 2.659 148 G HA2 0.634 4.677 3.960 0.138 0.000 0.296 148 G HA3 0.634 4.677 3.960 0.138 0.000 0.296 148 G C -0.886 174.087 174.900 0.121 0.000 1.369 148 G CA -0.526 44.620 45.100 0.077 0.000 0.937 148 G HN 1.232 nan 8.290 nan 0.000 0.485 149 I N -0.614 119.969 120.570 0.023 0.000 2.608 149 I HA 0.943 5.196 4.170 0.138 0.000 0.295 149 I C 0.165 176.224 176.117 -0.097 0.000 1.049 149 I CA -1.160 60.122 61.300 -0.031 0.000 1.063 149 I CB 2.385 40.307 38.000 -0.129 0.000 1.248 149 I HN 0.727 nan 8.210 nan 0.000 0.424 150 G N 4.640 113.371 108.800 -0.116 0.000 2.672 150 G HA2 0.701 4.744 3.960 0.138 0.000 0.292 150 G HA3 0.701 4.744 3.960 0.138 0.000 0.292 150 G C -1.877 172.926 174.900 -0.162 0.000 1.375 150 G CA -0.813 44.182 45.100 -0.174 0.000 0.890 150 G HN 0.793 nan 8.290 nan 0.000 0.476 151 I N 0.579 121.042 120.570 -0.178 0.000 2.418 151 I HA 0.694 4.947 4.170 0.138 0.000 0.287 151 I C -0.110 175.916 176.117 -0.150 0.000 1.008 151 I CA -1.121 60.096 61.300 -0.139 0.000 1.104 151 I CB 1.636 39.564 38.000 -0.121 0.000 1.264 151 I HN 0.605 nan 8.210 nan 0.000 0.438 152 A N 4.747 127.492 122.820 -0.126 0.000 2.273 152 A HA 0.585 4.988 4.320 0.138 0.000 0.320 152 A C 0.689 178.150 177.584 -0.205 0.000 1.358 152 A CA 0.166 52.083 52.037 -0.201 0.000 0.910 152 A CB 0.928 19.811 19.000 -0.195 0.000 1.159 152 A HN 0.950 nan 8.150 nan 0.000 0.526 153 E N 1.268 121.283 120.200 -0.309 0.000 2.106 153 E HA -0.116 4.317 4.350 0.138 0.000 0.192 153 E C 0.426 176.644 176.600 -0.637 0.000 0.984 153 E CA 1.527 57.685 56.400 -0.404 0.000 0.806 153 E CB -0.339 29.123 29.700 -0.396 0.000 0.750 153 E HN 0.783 nan 8.360 nan 0.000 0.458 154 H N -0.274 118.551 119.070 -0.409 0.000 2.716 154 H HA 0.332 4.971 4.556 0.138 0.000 0.260 154 H C -2.701 172.404 175.328 -0.373 0.000 1.280 154 H CA -2.621 53.229 56.048 -0.330 0.000 1.506 154 H CB 1.037 30.632 29.762 -0.279 0.000 1.514 154 H HN 0.151 nan 8.280 nan 0.000 0.502 155 P HA -0.054 nan 4.420 nan 0.000 0.264 155 P C -0.160 177.090 177.300 -0.082 0.000 1.179 155 P CA 0.172 63.143 63.100 -0.215 0.000 0.763 155 P CB 0.954 32.443 31.700 -0.351 0.000 0.806 156 V N 2.471 122.367 119.914 -0.030 0.000 2.735 156 V HA 0.640 4.843 4.120 0.138 0.000 0.310 156 V C 0.134 176.253 176.094 0.041 0.000 1.061 156 V CA -0.320 62.018 62.300 0.064 0.000 0.913 156 V CB 2.024 33.951 31.823 0.174 0.000 1.005 156 V HN 0.750 nan 8.190 nan 0.000 0.428 157 S N 0.953 116.681 115.700 0.046 0.000 2.697 157 S HA 0.461 5.014 4.470 0.138 0.000 0.289 157 S C 0.052 174.681 174.600 0.048 0.000 1.149 157 S CA -0.203 58.018 58.200 0.035 0.000 0.850 157 S CB 1.893 65.100 63.200 0.011 0.000 1.151 157 S HN 0.782 nan 8.310 nan 0.000 0.491 158 D N 0.035 120.458 120.400 0.039 0.000 2.352 158 D HA 0.206 4.929 4.640 0.138 0.000 0.232 158 D C 1.168 177.489 176.300 0.035 0.000 1.055 158 D CA 0.584 54.608 54.000 0.041 0.000 0.891 158 D CB -0.303 40.516 40.800 0.033 0.000 0.897 158 D HN 0.632 nan 8.370 nan 0.000 0.529 159 A N -0.007 122.830 122.820 0.028 0.000 2.348 159 A HA 0.491 4.894 4.320 0.138 0.000 0.224 159 A C 1.914 179.508 177.584 0.017 0.000 1.227 159 A CA 0.172 52.221 52.037 0.020 0.000 0.885 159 A CB -0.073 18.933 19.000 0.010 0.000 0.933 159 A HN 0.289 nan 8.150 nan 0.000 0.506 160 G N -0.415 108.403 108.800 0.030 0.000 3.337 160 G HA2 0.431 4.474 3.960 0.138 0.000 0.246 160 G HA3 0.431 4.474 3.960 0.138 0.000 0.246 160 G C 0.618 175.536 174.900 0.029 0.000 1.131 160 G CA 0.566 45.676 45.100 0.016 0.000 0.773 160 G HN 0.658 nan 8.290 nan 0.000 0.544 161 A N 0.771 123.629 122.820 0.063 0.000 2.462 161 A HA 0.583 4.986 4.320 0.138 0.000 0.243 161 A C 0.196 177.815 177.584 0.059 0.000 1.076 161 A CA 0.210 52.306 52.037 0.097 0.000 0.773 161 A CB 0.604 19.654 19.000 0.083 0.000 1.010 161 A HN 0.128 nan 8.150 nan 0.000 0.493 162 K N 1.236 121.700 120.400 0.106 0.000 2.328 162 K HA 0.466 4.869 4.320 0.138 0.000 0.246 162 K C -0.718 175.933 176.600 0.085 0.000 0.955 162 K CA -0.875 55.450 56.287 0.064 0.000 0.817 162 K CB 1.796 34.316 32.500 0.034 0.000 1.208 162 K HN 0.395 nan 8.250 nan 0.000 0.432 163 V N 1.420 121.367 119.914 0.056 0.000 2.599 163 V HA 0.171 4.374 4.120 0.138 0.000 0.300 163 V C 1.507 177.637 176.094 0.061 0.000 1.034 163 V CA 1.667 63.999 62.300 0.054 0.000 1.115 163 V CB 0.135 31.982 31.823 0.039 0.000 0.934 163 V HN 1.081 nan 8.190 nan 0.000 0.485 164 G N 3.630 112.463 108.800 0.055 0.000 2.213 164 G HA2 -0.192 3.851 3.960 0.138 0.000 0.236 164 G HA3 -0.192 3.851 3.960 0.138 0.000 0.236 164 G C -0.009 174.923 174.900 0.052 0.000 0.991 164 G CA 0.022 45.150 45.100 0.048 0.000 0.629 164 G HN 0.673 nan 8.290 nan 0.000 0.517 165 D N 1.289 121.735 120.400 0.076 0.000 2.400 165 D HA 0.538 5.261 4.640 0.138 0.000 0.238 165 D C 0.847 177.167 176.300 0.033 0.000 1.157 165 D CA 0.992 55.033 54.000 0.068 0.000 0.889 165 D CB 1.016 41.884 40.800 0.113 0.000 1.199 165 D HN 0.786 nan 8.370 nan 0.000 0.436 166 A N 1.202 124.028 122.820 0.009 0.000 2.304 166 A HA 0.495 4.898 4.320 0.138 0.000 0.301 166 A C -0.428 177.156 177.584 -0.001 0.000 1.132 166 A CA -0.616 51.420 52.037 -0.001 0.000 0.819 166 A CB 0.827 19.820 19.000 -0.012 0.000 1.094 166 A HN 0.311 nan 8.150 nan 0.000 0.492 167 V N 3.281 123.193 119.914 -0.003 0.000 2.370 167 V HA 0.421 4.624 4.120 0.138 0.000 0.283 167 V C -0.642 175.445 176.094 -0.012 0.000 1.023 167 V CA -0.226 62.072 62.300 -0.003 0.000 0.857 167 V CB 0.717 32.538 31.823 -0.004 0.000 0.985 167 V HN 0.711 nan 8.190 nan 0.000 0.443 168 L N 5.701 126.917 121.223 -0.011 0.000 2.333 168 L HA 0.798 5.221 4.340 0.138 0.000 0.269 168 L C -0.162 176.702 176.870 -0.010 0.000 1.010 168 L CA -0.509 54.322 54.840 -0.015 0.000 0.818 168 L CB 2.223 44.270 42.059 -0.019 0.000 1.306 168 L HN 0.579 nan 8.230 nan 0.000 0.430 169 V N -1.669 118.239 119.914 -0.011 0.000 2.769 169 V HA 0.613 4.816 4.120 0.138 0.000 0.312 169 V C 0.604 176.696 176.094 -0.003 0.000 1.061 169 V CA -0.079 62.219 62.300 -0.003 0.000 0.931 169 V CB 1.629 33.452 31.823 -0.001 0.000 1.010 169 V HN 0.829 nan 8.190 nan 0.000 0.433 170 S N 1.317 117.018 115.700 0.003 0.000 2.603 170 S HA 0.564 5.117 4.470 0.138 0.000 0.220 170 S C 0.783 175.385 174.600 0.003 0.000 0.967 170 S CA 0.416 58.615 58.200 -0.001 0.000 0.920 170 S CB -0.471 62.730 63.200 0.001 0.000 0.773 170 S HN 2.025 nan 8.310 nan 0.000 0.529 171 G N 0.754 109.560 108.800 0.009 0.000 2.341 171 G HA2 0.401 4.444 3.960 0.138 0.000 0.299 171 G HA3 0.401 4.444 3.960 0.138 0.000 0.299 171 G C -0.690 174.221 174.900 0.019 0.000 1.274 171 G CA -0.257 44.850 45.100 0.012 0.000 0.853 171 G HN 0.535 nan 8.290 nan 0.000 0.493 172 T N -0.570 113.997 114.554 0.021 0.000 2.932 172 T HA 0.494 4.927 4.350 0.138 0.000 0.312 172 T C 0.250 174.975 174.700 0.041 0.000 1.071 172 T CA -0.085 62.031 62.100 0.028 0.000 1.128 172 T CB 0.695 69.574 68.868 0.018 0.000 0.984 172 T HN 0.468 nan 8.240 nan 0.000 0.549 173 I N 2.208 122.812 120.570 0.058 0.000 2.441 173 I HA 0.549 4.802 4.170 0.138 0.000 0.295 173 I C 1.490 177.653 176.117 0.077 0.000 0.994 173 I CA 0.134 61.483 61.300 0.081 0.000 1.144 173 I CB 0.573 38.647 38.000 0.124 0.000 1.314 173 I HN 1.133 nan 8.210 nan 0.000 0.445 174 G N 4.939 113.782 108.800 0.072 0.000 2.195 174 G HA2 -0.274 3.769 3.960 0.138 0.000 0.246 174 G HA3 -0.274 3.769 3.960 0.138 0.000 0.246 174 G C 0.615 175.536 174.900 0.034 0.000 0.984 174 G CA 0.414 45.544 45.100 0.049 0.000 0.633 174 G HN 0.531 nan 8.290 nan 0.000 0.525 175 D N -0.297 120.128 120.400 0.043 0.000 2.126 175 D HA -0.067 4.656 4.640 0.138 0.000 0.190 175 D C 1.736 178.058 176.300 0.036 0.000 1.001 175 D CA 1.803 55.825 54.000 0.037 0.000 0.841 175 D CB -0.331 40.501 40.800 0.053 0.000 0.949 175 D HN 0.674 nan 8.370 nan 0.000 0.446 176 H N -0.326 118.732 119.070 -0.020 0.000 2.270 176 H HA -0.016 4.622 4.556 0.136 0.000 0.299 176 H C 2.228 177.498 175.328 -0.096 0.000 1.077 176 H CA 2.375 58.382 56.048 -0.068 0.000 1.294 176 H CB -0.616 29.098 29.762 -0.079 0.000 1.371 176 H HN 0.131 nan 8.280 nan 0.000 0.491 177 G N 0.919 109.678 108.800 -0.069 0.000 2.418 177 G HA2 -0.198 3.845 3.960 0.138 0.000 0.217 177 G HA3 -0.198 3.845 3.960 0.138 0.000 0.217 177 G C 1.513 176.341 174.900 -0.120 0.000 1.158 177 G CA 1.004 46.032 45.100 -0.119 0.000 0.771 177 G HN 0.386 nan 8.290 nan 0.000 0.545 178 I N 1.772 122.303 120.570 -0.064 0.000 2.315 178 I HA -0.044 4.209 4.170 0.138 0.000 0.248 178 I C 3.197 179.301 176.117 -0.022 0.000 1.117 178 I CA 0.978 62.260 61.300 -0.031 0.000 1.404 178 I CB -1.289 36.702 38.000 -0.014 0.000 1.071 178 I HN 0.253 nan 8.210 nan 0.000 0.419 179 A N 0.748 123.535 122.820 -0.055 0.000 1.902 179 A HA -0.163 4.240 4.320 0.138 0.000 0.217 179 A C 2.262 179.827 177.584 -0.032 0.000 1.181 179 A CA 1.383 53.413 52.037 -0.011 0.000 0.623 179 A CB -0.693 18.297 19.000 -0.016 0.000 0.818 179 A HN 0.312 nan 8.150 nan 0.000 0.443 180 L N -1.018 120.089 121.223 -0.193 0.000 2.072 180 L HA -0.047 4.376 4.340 0.138 0.000 0.205 180 L C 2.727 179.576 176.870 -0.034 0.000 1.079 180 L CA 1.661 56.396 54.840 -0.175 0.000 0.752 180 L CB -0.554 41.259 42.059 -0.411 0.000 0.906 180 L HN 0.366 nan 8.230 nan 0.000 0.436 181 M N -1.711 117.862 119.600 -0.045 0.000 2.175 181 M HA -0.180 4.383 4.480 0.138 0.000 0.264 181 M C 2.386 178.707 176.300 0.036 0.000 1.063 181 M CA 1.382 56.682 55.300 -0.001 0.000 1.119 181 M CB -0.363 32.230 32.600 -0.011 0.000 1.377 181 M HN 0.142 nan 8.290 nan 0.000 0.415 182 S N -0.768 114.967 115.700 0.059 0.000 2.356 182 S HA -0.188 4.365 4.470 0.138 0.000 0.223 182 S C 1.866 176.511 174.600 0.075 0.000 1.032 182 S CA 1.073 59.322 58.200 0.082 0.000 1.005 182 S CB -0.613 62.681 63.200 0.156 0.000 0.867 182 S HN 0.506 nan 8.310 nan 0.000 0.449 183 H N 1.649 120.736 119.070 0.028 0.000 2.353 183 H HA -0.008 4.630 4.556 0.137 0.000 0.300 183 H C 2.420 177.762 175.328 0.022 0.000 1.090 183 H CA 1.692 57.760 56.048 0.034 0.000 1.327 183 H CB -0.137 29.661 29.762 0.059 0.000 1.383 183 H HN 0.274 nan 8.280 nan 0.000 0.508 184 R N 0.381 120.960 120.500 0.131 0.000 2.120 184 R HA -0.092 4.331 4.340 0.138 0.000 0.234 184 R C 1.251 177.551 176.300 -0.001 0.000 1.123 184 R CA 1.435 57.581 56.100 0.077 0.000 0.975 184 R CB 0.198 30.541 30.300 0.073 0.000 0.866 184 R HN 0.237 nan 8.270 nan 0.000 0.446 185 E N -0.725 119.465 120.200 -0.016 0.000 2.479 185 E HA 0.092 4.525 4.350 0.138 0.000 0.193 185 E C 0.707 177.264 176.600 -0.072 0.000 1.049 185 E CA 0.641 57.021 56.400 -0.034 0.000 0.870 185 E CB 0.818 30.506 29.700 -0.021 0.000 0.944 185 E HN 0.571 nan 8.360 nan 0.000 0.492 186 G N 1.875 110.604 108.800 -0.118 0.000 2.160 186 G HA2 -0.302 3.741 3.960 0.138 0.000 0.251 186 G HA3 -0.302 3.741 3.960 0.138 0.000 0.251 186 G C 0.310 175.122 174.900 -0.147 0.000 1.008 186 G CA 0.214 45.222 45.100 -0.154 0.000 0.724 186 G HN 0.294 nan 8.290 nan 0.000 0.514 187 I N 0.965 121.454 120.570 -0.135 0.000 2.395 187 I HA 0.558 4.811 4.170 0.138 0.000 0.289 187 I C 0.668 176.633 176.117 -0.252 0.000 1.023 187 I CA 0.187 61.365 61.300 -0.204 0.000 1.350 187 I CB 1.474 39.385 38.000 -0.147 0.000 1.409 187 I HN 0.351 nan 8.210 nan 0.000 0.507 188 A N 6.651 129.224 122.820 -0.411 0.000 2.475 188 A HA 0.857 5.260 4.320 0.138 0.000 0.301 188 A C -1.300 175.948 177.584 -0.560 0.000 1.059 188 A CA -0.395 51.448 52.037 -0.323 0.000 0.710 188 A CB 1.077 19.990 19.000 -0.146 0.000 1.288 188 A HN 0.504 nan 8.150 nan 0.000 0.408 189 F N -0.398 119.561 119.950 0.016 0.000 2.579 189 F HA 0.610 5.219 4.527 0.137 0.000 0.324 189 F C 1.723 177.533 175.800 0.016 0.000 1.058 189 F CA 0.231 58.239 58.000 0.014 0.000 0.944 189 F CB 1.394 40.404 39.000 0.016 0.000 1.245 189 F HN 0.794 nan 8.300 nan 0.000 0.477 190 E N -0.534 119.797 120.200 0.218 0.000 2.070 190 E HA -0.121 4.312 4.350 0.138 0.000 0.197 190 E C 0.883 177.552 176.600 0.115 0.000 1.004 190 E CA 1.872 58.346 56.400 0.123 0.000 0.805 190 E CB -1.315 28.444 29.700 0.098 0.000 0.744 190 E HN 0.553 nan 8.360 nan 0.000 0.451 191 T N -0.352 114.279 114.554 0.128 0.000 2.762 191 T HA 0.445 4.878 4.350 0.138 0.000 0.303 191 T C -0.101 174.672 174.700 0.122 0.000 0.977 191 T CA -0.156 61.997 62.100 0.088 0.000 0.961 191 T CB 1.093 69.988 68.868 0.046 0.000 0.944 191 T HN 0.437 nan 8.240 nan 0.000 0.481 192 E N 2.504 122.776 120.200 0.121 0.000 2.652 192 E HA -0.043 4.390 4.350 0.138 0.000 0.255 192 E C -0.429 176.251 176.600 0.133 0.000 0.952 192 E CA -0.558 55.930 56.400 0.147 0.000 0.947 192 E CB 0.301 30.072 29.700 0.117 0.000 0.912 192 E HN 0.587 nan 8.360 nan 0.000 0.489 193 L N 5.815 127.150 121.223 0.186 0.000 2.315 193 L HA 0.237 4.660 4.340 0.138 0.000 0.283 193 L C -0.722 176.222 176.870 0.124 0.000 1.089 193 L CA 0.459 55.373 54.840 0.122 0.000 0.833 193 L CB 0.329 42.489 42.059 0.168 0.000 1.170 193 L HN 0.449 nan 8.230 nan 0.000 0.442 194 K N 2.910 123.366 120.400 0.093 0.000 2.340 194 K HA 0.465 4.868 4.320 0.138 0.000 0.244 194 K C -0.406 176.262 176.600 0.113 0.000 0.973 194 K CA -0.843 55.514 56.287 0.116 0.000 0.828 194 K CB 1.888 34.455 32.500 0.112 0.000 1.226 194 K HN 0.597 nan 8.250 nan 0.000 0.437 195 S N 0.713 116.515 115.700 0.171 0.000 2.584 195 S HA -0.027 4.526 4.470 0.138 0.000 0.270 195 S C 0.394 175.115 174.600 0.202 0.000 1.346 195 S CA -0.128 58.198 58.200 0.210 0.000 1.018 195 S CB 0.331 63.781 63.200 0.417 0.000 0.899 195 S HN 0.721 nan 8.310 nan 0.000 0.542 196 D N 2.048 122.559 120.400 0.186 0.000 2.368 196 D HA 0.035 4.758 4.640 0.138 0.000 0.218 196 D C 0.580 176.949 176.300 0.116 0.000 1.112 196 D CA -0.338 53.736 54.000 0.124 0.000 0.834 196 D CB -0.630 40.224 40.800 0.089 0.000 0.953 196 D HN 0.275 nan 8.370 nan 0.000 0.505 197 V N 0.665 120.680 119.914 0.169 0.000 2.539 197 V HA 0.349 4.552 4.120 0.138 0.000 0.300 197 V C -0.006 176.133 176.094 0.074 0.000 1.019 197 V CA 0.791 63.154 62.300 0.106 0.000 1.160 197 V CB -0.641 31.297 31.823 0.192 0.000 0.901 197 V HN 0.604 nan 8.190 nan 0.000 0.481 198 A N 7.726 130.571 122.820 0.041 0.000 2.581 198 A HA 0.729 5.132 4.320 0.138 0.000 0.294 198 A C -3.188 174.422 177.584 0.043 0.000 1.035 198 A CA -0.991 51.070 52.037 0.041 0.000 0.684 198 A CB 1.782 20.809 19.000 0.046 0.000 1.282 198 A HN 0.618 nan 8.150 nan 0.000 0.417 199 P HA 0.439 nan 4.420 nan 0.000 0.280 199 P C -0.142 177.221 177.300 0.104 0.000 1.244 199 P CA -0.005 63.144 63.100 0.082 0.000 0.784 199 P CB 0.631 32.384 31.700 0.089 0.000 0.913 200 I N -0.283 120.365 120.570 0.130 0.000 3.707 200 I HA 0.263 4.516 4.170 0.138 0.000 0.330 200 I C 1.531 177.755 176.117 0.178 0.000 1.572 200 I CA -0.998 60.373 61.300 0.118 0.000 1.104 200 I CB -1.002 37.043 38.000 0.075 0.000 1.240 200 I HN 0.393 nan 8.210 nan 0.000 0.475 201 W N 3.161 124.485 121.300 0.040 0.000 2.342 201 W HA -0.261 4.482 4.660 0.139 0.000 0.297 201 W C 1.501 178.051 176.519 0.051 0.000 1.213 201 W CA 1.855 59.237 57.345 0.061 0.000 1.251 201 W CB 0.147 29.645 29.460 0.062 0.000 1.136 201 W HN 0.538 nan 8.180 nan 0.000 0.526 202 D N 0.704 121.060 120.400 -0.073 0.000 2.178 202 D HA -0.205 4.518 4.640 0.138 0.000 0.201 202 D C 2.058 178.223 176.300 -0.226 0.000 0.980 202 D CA 1.596 55.464 54.000 -0.219 0.000 0.842 202 D CB -1.086 39.671 40.800 -0.072 0.000 0.948 202 D HN 0.175 nan 8.370 nan 0.000 0.472 203 V N 0.639 120.476 119.914 -0.129 0.000 2.307 203 V HA -0.187 4.016 4.120 0.138 0.000 0.245 203 V C 2.890 178.876 176.094 -0.180 0.000 1.045 203 V CA 1.173 63.403 62.300 -0.117 0.000 1.024 203 V CB -0.373 31.421 31.823 -0.048 0.000 0.651 203 V HN 0.117 nan 8.190 nan 0.000 0.449 204 V N -0.280 119.528 119.914 -0.177 0.000 2.295 204 V HA -0.280 3.923 4.120 0.138 0.000 0.246 204 V C 2.474 178.285 176.094 -0.471 0.000 1.049 204 V CA 2.029 64.202 62.300 -0.211 0.000 1.024 204 V CB -0.690 31.142 31.823 0.016 0.000 0.648 204 V HN 0.498 nan 8.190 nan 0.000 0.447 205 K N -0.112 119.861 120.400 -0.713 0.000 2.057 205 K HA -0.163 4.240 4.320 0.138 0.000 0.207 205 K C 2.307 178.615 176.600 -0.485 0.000 1.049 205 K CA 1.445 57.285 56.287 -0.745 0.000 0.931 205 K CB -0.399 31.584 32.500 -0.861 0.000 0.714 205 K HN 0.482 nan 8.250 nan 0.000 0.440 206 A N 0.849 123.448 122.820 -0.368 0.000 1.908 206 A HA -0.141 4.262 4.320 0.138 0.000 0.218 206 A C 2.305 179.729 177.584 -0.266 0.000 1.181 206 A CA 1.555 53.437 52.037 -0.258 0.000 0.627 206 A CB -0.570 18.319 19.000 -0.185 0.000 0.818 206 A HN 0.093 nan 8.150 nan 0.000 0.445 207 V N -0.355 119.380 119.914 -0.299 0.000 2.323 207 V HA -0.182 4.021 4.120 0.138 0.000 0.244 207 V C 3.048 178.897 176.094 -0.408 0.000 1.041 207 V CA 1.787 63.914 62.300 -0.288 0.000 1.025 207 V CB -1.238 30.436 31.823 -0.248 0.000 0.656 207 V HN 0.606 nan 8.190 nan 0.000 0.451 208 A N -0.252 122.180 122.820 -0.647 0.000 1.940 208 A HA -0.254 4.149 4.320 0.138 0.000 0.219 208 A C 2.137 179.363 177.584 -0.598 0.000 1.176 208 A CA 1.898 53.370 52.037 -0.942 0.000 0.631 208 A CB -0.498 17.317 19.000 -1.974 0.000 0.814 208 A HN 0.633 nan 8.150 nan 0.000 0.446 209 E N -1.004 118.940 120.200 -0.427 0.000 2.268 209 E HA -0.105 4.328 4.350 0.138 0.000 0.195 209 E C 1.798 178.283 176.600 -0.192 0.000 0.995 209 E CA 1.439 57.692 56.400 -0.245 0.000 0.836 209 E CB -0.136 29.452 29.700 -0.185 0.000 0.763 209 E HN 0.651 nan 8.360 nan 0.000 0.491 210 T N 0.982 115.410 114.554 -0.210 0.000 2.925 210 T HA 0.022 4.455 4.350 0.138 0.000 0.245 210 T C 2.031 176.641 174.700 -0.150 0.000 1.025 210 T CA 0.787 62.801 62.100 -0.144 0.000 1.149 210 T CB 0.045 68.841 68.868 -0.119 0.000 0.866 210 T HN 0.273 nan 8.240 nan 0.000 0.437 211 I N -1.051 119.386 120.570 -0.222 0.000 3.941 211 I HA 0.540 4.793 4.170 0.138 0.000 0.321 211 I C 0.801 176.670 176.117 -0.413 0.000 1.284 211 I CA -0.121 60.992 61.300 -0.312 0.000 1.226 211 I CB -0.204 37.609 38.000 -0.311 0.000 1.045 211 I HN 0.290 nan 8.210 nan 0.000 0.420 212 G N 0.898 109.488 108.800 -0.350 0.000 2.785 212 G HA2 -0.248 3.795 3.960 0.138 0.000 0.686 212 G HA3 -0.248 3.795 3.960 0.138 0.000 0.686 212 G C -0.427 174.305 174.900 -0.280 0.000 1.155 212 G CA -0.221 44.701 45.100 -0.297 0.000 0.760 212 G HN 0.449 nan 8.290 nan 0.000 0.624 213 W N 0.415 121.616 121.300 -0.166 0.000 2.350 213 W HA -0.049 4.693 4.660 0.138 0.000 0.289 213 W C 2.658 179.106 176.519 -0.120 0.000 1.215 213 W CA 1.495 58.771 57.345 -0.115 0.000 1.236 213 W CB 0.026 29.449 29.460 -0.062 0.000 1.130 213 W HN 0.923 nan 8.180 nan 0.000 0.541 214 E N 0.216 120.433 120.200 0.029 0.000 2.267 214 E HA -0.226 4.207 4.350 0.138 0.000 0.197 214 E C 1.034 177.681 176.600 0.079 0.000 0.998 214 E CA 1.601 58.021 56.400 0.034 0.000 0.830 214 E CB -0.838 28.842 29.700 -0.035 0.000 0.751 214 E HN 0.454 nan 8.360 nan 0.000 0.491 215 N N 0.163 118.809 118.700 -0.090 0.000 2.280 215 N HA 0.209 5.032 4.740 0.138 0.000 0.192 215 N C -0.383 174.953 175.510 -0.290 0.000 1.109 215 N CA -0.114 52.799 53.050 -0.228 0.000 0.855 215 N CB 0.510 38.706 38.487 -0.485 0.000 0.974 215 N HN 0.133 nan 8.380 nan 0.000 0.482 216 I N 0.729 121.251 120.570 -0.081 0.000 2.291 216 I HA 0.080 4.333 4.170 0.138 0.000 0.290 216 I C 0.476 176.687 176.117 0.157 0.000 1.050 216 I CA -0.235 61.054 61.300 -0.019 0.000 1.245 216 I CB 0.654 38.691 38.000 0.061 0.000 1.405 216 I HN 0.255 nan 8.210 nan 0.000 0.478 217 H N 4.687 123.791 119.070 0.058 0.000 2.497 217 H HA 0.427 5.066 4.556 0.138 0.000 0.282 217 H C 0.610 175.973 175.328 0.059 0.000 1.003 217 H CA -0.099 55.982 56.048 0.056 0.000 1.307 217 H CB 0.671 30.459 29.762 0.043 0.000 1.437 217 H HN 0.676 nan 8.280 nan 0.000 0.544 218 A N 0.729 123.656 122.820 0.178 0.000 2.605 218 A HA 0.626 5.029 4.320 0.138 0.000 0.294 218 A C -1.319 176.327 177.584 0.103 0.000 1.062 218 A CA -0.694 51.417 52.037 0.124 0.000 0.682 218 A CB 1.575 20.635 19.000 0.101 0.000 1.278 218 A HN 0.073 nan 8.150 nan 0.000 0.410 219 M N 0.983 120.641 119.600 0.096 0.000 2.569 219 M HA 0.541 5.104 4.480 0.138 0.000 0.279 219 M C -1.259 175.084 176.300 0.072 0.000 1.253 219 M CA -0.625 54.728 55.300 0.088 0.000 0.867 219 M CB 2.889 35.561 32.600 0.120 0.000 1.727 219 M HN 0.612 nan 8.290 nan 0.000 0.467 220 K N 1.125 121.562 120.400 0.062 0.000 2.527 220 K HA 0.333 4.736 4.320 0.138 0.000 0.260 220 K C -1.953 174.677 176.600 0.049 0.000 0.937 220 K CA -0.801 55.516 56.287 0.050 0.000 0.826 220 K CB 2.535 35.058 32.500 0.038 0.000 1.359 220 K HN 0.620 nan 8.250 nan 0.000 0.434 221 D N 3.339 123.765 120.400 0.044 0.000 2.396 221 D HA 0.174 4.897 4.640 0.138 0.000 0.225 221 D C -2.044 174.274 176.300 0.030 0.000 1.121 221 D CA -2.008 52.016 54.000 0.041 0.000 0.853 221 D CB 1.079 41.903 40.800 0.040 0.000 1.043 221 D HN 0.030 nan 8.370 nan 0.000 0.500 222 P HA 0.052 nan 4.420 nan 0.000 0.226 222 P C 0.478 177.794 177.300 0.027 0.000 1.783 222 P CA -0.098 63.020 63.100 0.030 0.000 0.980 222 P CB -0.080 31.642 31.700 0.036 0.000 1.967 223 T N -0.711 113.853 114.554 0.017 0.000 3.259 223 T HA 0.053 4.486 4.350 0.138 0.000 0.190 223 T C 0.959 175.670 174.700 0.018 0.000 0.797 223 T CA -0.260 61.846 62.100 0.009 0.000 2.302 223 T CB -0.485 68.383 68.868 0.000 0.000 1.952 223 T HN 0.121 nan 8.240 nan 0.000 0.414 224 R N 1.736 122.241 120.500 0.008 0.000 2.504 224 R HA 0.288 4.711 4.340 0.138 0.000 0.291 224 R C 0.826 177.135 176.300 0.015 0.000 0.974 224 R CA 0.745 56.849 56.100 0.007 0.000 1.077 224 R CB -0.600 29.695 30.300 -0.009 0.000 0.926 224 R HN 0.937 nan 8.270 nan 0.000 0.407 225 A N 2.766 125.598 122.820 0.021 0.000 3.021 225 A HA -0.193 4.210 4.320 0.138 0.000 0.257 225 A C 1.027 178.637 177.584 0.042 0.000 1.277 225 A CA 1.290 53.343 52.037 0.027 0.000 1.012 225 A CB -2.312 16.700 19.000 0.020 0.000 1.147 225 A HN 1.913 nan 8.150 nan 0.000 0.861 226 G N -1.881 106.947 108.800 0.045 0.000 2.578 226 G HA2 -0.072 3.971 3.960 0.138 0.000 0.275 226 G HA3 -0.072 3.971 3.960 0.138 0.000 0.275 226 G C 0.766 175.702 174.900 0.060 0.000 1.271 226 G CA 0.766 45.902 45.100 0.060 0.000 0.941 226 G HN 1.863 nan 8.290 nan 0.000 0.564 227 L N 1.210 122.480 121.223 0.079 0.000 2.042 227 L HA -0.022 4.401 4.340 0.138 0.000 0.210 227 L C 3.249 180.144 176.870 0.042 0.000 1.076 227 L CA 3.515 58.388 54.840 0.056 0.000 0.749 227 L CB -0.894 41.198 42.059 0.056 0.000 0.893 227 L HN 1.242 nan 8.230 nan 0.000 0.432 228 S N -0.870 114.874 115.700 0.074 0.000 2.368 228 S HA -0.233 4.320 4.470 0.138 0.000 0.225 228 S C 1.949 176.574 174.600 0.042 0.000 1.030 228 S CA 1.339 59.574 58.200 0.059 0.000 0.999 228 S CB -1.114 62.146 63.200 0.100 0.000 0.844 228 S HN 0.619 nan 8.310 nan 0.000 0.459 229 N N 2.537 121.262 118.700 0.042 0.000 2.120 229 N HA -0.002 4.821 4.740 0.138 0.000 0.188 229 N C 1.825 177.349 175.510 0.024 0.000 1.024 229 N CA 1.656 54.723 53.050 0.029 0.000 0.852 229 N CB -0.800 37.702 38.487 0.025 0.000 1.003 229 N HN 0.513 nan 8.380 nan 0.000 0.424 230 A N 0.594 123.430 122.820 0.026 0.000 1.883 230 A HA -0.096 4.307 4.320 0.138 0.000 0.217 230 A C 2.326 179.923 177.584 0.022 0.000 1.186 230 A CA 1.293 53.344 52.037 0.024 0.000 0.624 230 A CB -0.927 18.088 19.000 0.026 0.000 0.822 230 A HN 0.378 nan 8.150 nan 0.000 0.444 231 L N -0.392 120.842 121.223 0.018 0.000 2.093 231 L HA -0.177 4.246 4.340 0.138 0.000 0.208 231 L C 2.355 179.238 176.870 0.023 0.000 1.085 231 L CA 1.172 56.022 54.840 0.016 0.000 0.755 231 L CB -0.635 41.425 42.059 0.002 0.000 0.904 231 L HN 0.449 nan 8.230 nan 0.000 0.435 232 N N 0.005 118.719 118.700 0.023 0.000 2.244 232 N HA -0.169 4.654 4.740 0.138 0.000 0.183 232 N C 1.675 177.196 175.510 0.018 0.000 1.016 232 N CA 1.165 54.228 53.050 0.022 0.000 0.866 232 N CB 0.046 38.544 38.487 0.019 0.000 0.980 232 N HN 0.491 nan 8.380 nan 0.000 0.430 233 E N 0.825 121.035 120.200 0.018 0.000 2.072 233 E HA -0.076 4.357 4.350 0.138 0.000 0.191 233 E C 2.064 178.676 176.600 0.020 0.000 0.985 233 E CA 0.635 57.044 56.400 0.016 0.000 0.801 233 E CB -0.008 29.701 29.700 0.014 0.000 0.750 233 E HN 0.327 nan 8.360 nan 0.000 0.452 234 I N 1.280 121.866 120.570 0.026 0.000 2.226 234 I HA -0.278 3.975 4.170 0.138 0.000 0.245 234 I C 2.576 178.712 176.117 0.032 0.000 1.100 234 I CA 0.986 62.304 61.300 0.031 0.000 1.374 234 I CB -0.318 37.704 38.000 0.037 0.000 1.057 234 I HN 0.081 nan 8.210 nan 0.000 0.413 235 A N 0.962 123.802 122.820 0.033 0.000 1.883 235 A HA -0.214 4.189 4.320 0.138 0.000 0.217 235 A C 2.413 180.016 177.584 0.030 0.000 1.186 235 A CA 1.646 53.705 52.037 0.038 0.000 0.624 235 A CB -0.562 18.465 19.000 0.045 0.000 0.822 235 A HN 0.330 nan 8.150 nan 0.000 0.444 236 R N -0.627 119.885 120.500 0.021 0.000 2.073 236 R HA -0.034 4.389 4.340 0.138 0.000 0.229 236 R C 2.022 178.330 176.300 0.013 0.000 1.120 236 R CA 1.222 57.330 56.100 0.014 0.000 0.967 236 R CB -0.221 30.082 30.300 0.006 0.000 0.862 236 R HN 0.302 nan 8.270 nan 0.000 0.436 237 K N 0.335 120.744 120.400 0.014 0.000 2.155 237 K HA 0.034 4.437 4.320 0.138 0.000 0.203 237 K C 1.856 178.465 176.600 0.014 0.000 1.052 237 K CA 1.045 57.339 56.287 0.013 0.000 0.948 237 K CB 0.036 32.544 32.500 0.014 0.000 0.728 237 K HN 0.014 nan 8.250 nan 0.000 0.448 238 S N 0.914 116.626 115.700 0.020 0.000 2.548 238 S HA -0.039 4.514 4.470 0.138 0.000 0.215 238 S C 0.225 174.836 174.600 0.018 0.000 0.976 238 S CA -0.125 58.087 58.200 0.020 0.000 0.908 238 S CB -0.252 62.966 63.200 0.030 0.000 0.781 238 S HN 0.380 nan 8.310 nan 0.000 0.519 239 N N 1.133 119.845 118.700 0.019 0.000 2.714 239 N HA -0.163 4.660 4.740 0.138 0.000 0.253 239 N C -0.630 174.896 175.510 0.027 0.000 1.024 239 N CA 0.797 53.858 53.050 0.019 0.000 0.726 239 N CB -1.547 36.947 38.487 0.011 0.000 0.908 239 N HN 0.327 nan 8.380 nan 0.000 0.542 240 V N -2.549 117.388 119.914 0.038 0.000 3.130 240 V HA 1.028 5.231 4.120 0.138 0.000 0.310 240 V C 0.867 177.002 176.094 0.069 0.000 1.158 240 V CA -0.408 61.922 62.300 0.050 0.000 1.029 240 V CB 1.881 33.733 31.823 0.049 0.000 1.057 240 V HN 0.279 nan 8.190 nan 0.000 0.436 241 G N 0.781 109.635 108.800 0.090 0.000 2.412 241 G HA2 0.738 4.781 3.960 0.138 0.000 0.318 241 G HA3 0.738 4.781 3.960 0.138 0.000 0.318 241 G C -0.952 174.002 174.900 0.091 0.000 1.146 241 G CA -0.791 44.383 45.100 0.124 0.000 0.882 241 G HN 0.832 nan 8.290 nan 0.000 0.501 242 I N 0.804 121.423 120.570 0.082 0.000 2.466 242 I HA 0.267 4.520 4.170 0.138 0.000 0.289 242 I C -1.128 175.007 176.117 0.030 0.000 1.026 242 I CA -0.760 60.569 61.300 0.049 0.000 1.078 242 I CB 2.229 40.250 38.000 0.034 0.000 1.249 242 I HN 0.237 nan 8.210 nan 0.000 0.429 243 L N 8.400 129.630 121.223 0.012 0.000 2.298 243 L HA 0.589 5.012 4.340 0.138 0.000 0.284 243 L C -0.903 175.948 176.870 -0.032 0.000 1.013 243 L CA -0.320 54.510 54.840 -0.016 0.000 0.824 243 L CB 1.475 43.529 42.059 -0.009 0.000 1.221 243 L HN 0.301 nan 8.230 nan 0.000 0.418 244 V N 5.398 125.279 119.914 -0.055 0.000 2.483 244 V HA 0.508 4.711 4.120 0.138 0.000 0.295 244 V C 0.070 176.118 176.094 -0.077 0.000 1.035 244 V CA -0.755 61.502 62.300 -0.073 0.000 0.896 244 V CB 1.670 33.428 31.823 -0.109 0.000 0.986 244 V HN 0.736 nan 8.190 nan 0.000 0.447 245 R N 2.619 123.078 120.500 -0.067 0.000 2.205 245 R HA 0.228 4.651 4.340 0.138 0.000 0.342 245 R C 1.211 177.472 176.300 -0.065 0.000 1.058 245 R CA -0.146 55.920 56.100 -0.056 0.000 0.904 245 R CB 0.494 30.770 30.300 -0.040 0.000 1.089 245 R HN 0.899 nan 8.270 nan 0.000 0.471 246 E N 3.594 123.755 120.200 -0.063 0.000 2.114 246 E HA -0.282 4.151 4.350 0.138 0.000 0.199 246 E C 1.319 177.912 176.600 -0.012 0.000 1.008 246 E CA 1.928 58.297 56.400 -0.053 0.000 0.810 246 E CB 0.026 29.727 29.700 0.001 0.000 0.739 246 E HN 0.807 nan 8.360 nan 0.000 0.456 247 A N 0.683 123.499 122.820 -0.005 0.000 2.070 247 A HA -0.181 4.222 4.320 0.138 0.000 0.220 247 A C 1.473 179.056 177.584 -0.002 0.000 1.159 247 A CA 1.705 53.745 52.037 0.004 0.000 0.656 247 A CB -0.220 18.779 19.000 -0.001 0.000 0.800 247 A HN 0.271 nan 8.150 nan 0.000 0.453 248 D N -0.514 119.875 120.400 -0.018 0.000 2.348 248 D HA 0.133 4.856 4.640 0.138 0.000 0.211 248 D C 0.369 176.656 176.300 -0.021 0.000 0.998 248 D CA 0.146 54.134 54.000 -0.020 0.000 0.873 248 D CB -0.050 40.734 40.800 -0.028 0.000 0.925 248 D HN 0.462 nan 8.370 nan 0.000 0.524 249 I N 3.813 124.368 120.570 -0.026 0.000 2.505 249 I HA 0.069 4.322 4.170 0.138 0.000 0.287 249 I C -1.985 174.149 176.117 0.028 0.000 1.104 249 I CA -1.534 59.754 61.300 -0.020 0.000 1.387 249 I CB 0.549 38.509 38.000 -0.065 0.000 1.404 249 I HN -0.273 nan 8.210 nan 0.000 0.528 250 P HA 0.248 nan 4.420 nan 0.000 0.276 250 P C -0.831 176.495 177.300 0.044 0.000 1.253 250 P CA 0.080 63.195 63.100 0.026 0.000 0.766 250 P CB 0.832 32.539 31.700 0.013 0.000 0.845 251 I N 3.688 124.281 120.570 0.039 0.000 2.478 251 I HA 0.319 4.572 4.170 0.138 0.000 0.287 251 I C 0.841 176.955 176.117 -0.006 0.000 1.042 251 I CA -0.931 60.388 61.300 0.031 0.000 1.067 251 I CB 2.063 40.093 38.000 0.051 0.000 1.233 251 I HN 0.249 nan 8.210 nan 0.000 0.431 252 R N 6.058 126.542 120.500 -0.027 0.000 2.590 252 R HA 0.122 4.545 4.340 0.138 0.000 0.274 252 R C -1.428 174.818 176.300 -0.090 0.000 1.061 252 R CA -1.097 54.969 56.100 -0.057 0.000 1.081 252 R CB 0.448 30.704 30.300 -0.073 0.000 0.984 252 R HN 0.314 nan 8.270 nan 0.000 0.448 253 P HA -0.214 nan 4.420 nan 0.000 0.216 253 P C 0.359 177.532 177.300 -0.211 0.000 1.153 253 P CA 1.408 64.441 63.100 -0.111 0.000 0.858 253 P CB 0.195 31.845 31.700 -0.084 0.000 0.789 254 E N -0.793 119.197 120.200 -0.349 0.000 2.150 254 E HA -0.092 4.341 4.350 0.138 0.000 0.193 254 E C 1.941 178.193 176.600 -0.580 0.000 0.985 254 E CA 0.946 56.879 56.400 -0.778 0.000 0.814 254 E CB -0.545 28.568 29.700 -0.977 0.000 0.752 254 E HN 0.121 nan 8.360 nan 0.000 0.466 255 V N 1.228 120.967 119.914 -0.291 0.000 2.453 255 V HA -0.213 3.990 4.120 0.138 0.000 0.247 255 V C 2.403 178.432 176.094 -0.108 0.000 1.048 255 V CA 1.678 63.886 62.300 -0.153 0.000 1.049 255 V CB -0.397 31.373 31.823 -0.087 0.000 0.672 255 V HN 0.098 nan 8.190 nan 0.000 0.457 256 R N 0.855 121.292 120.500 -0.106 0.000 2.081 256 R HA -0.113 4.310 4.340 0.138 0.000 0.235 256 R C 2.197 178.471 176.300 -0.044 0.000 1.131 256 R CA 1.889 57.946 56.100 -0.072 0.000 0.960 256 R CB -0.796 29.470 30.300 -0.055 0.000 0.856 256 R HN 0.454 nan 8.270 nan 0.000 0.436 257 A N 0.211 123.006 122.820 -0.043 0.000 1.858 257 A HA -0.056 4.347 4.320 0.138 0.000 0.216 257 A C 2.387 180.055 177.584 0.140 0.000 1.190 257 A CA 1.807 53.881 52.037 0.061 0.000 0.617 257 A CB -1.195 17.886 19.000 0.136 0.000 0.827 257 A HN 0.492 nan 8.150 nan 0.000 0.443 258 A N -0.688 122.246 122.820 0.190 0.000 1.902 258 A HA -0.078 4.325 4.320 0.138 0.000 0.217 258 A C 2.438 180.074 177.584 0.088 0.000 1.181 258 A CA 2.104 54.284 52.037 0.238 0.000 0.623 258 A CB -0.898 18.275 19.000 0.288 0.000 0.818 258 A HN 0.449 nan 8.150 nan 0.000 0.443 259 S N -0.820 114.895 115.700 0.024 0.000 2.368 259 S HA -0.189 4.364 4.470 0.138 0.000 0.225 259 S C 1.959 176.550 174.600 -0.015 0.000 1.030 259 S CA 1.513 59.702 58.200 -0.018 0.000 0.999 259 S CB -0.246 62.913 63.200 -0.068 0.000 0.844 259 S HN 0.773 nan 8.310 nan 0.000 0.459 260 E N 0.847 121.044 120.200 -0.004 0.000 2.077 260 E HA -0.116 4.317 4.350 0.138 0.000 0.193 260 E C 2.013 178.618 176.600 0.009 0.000 0.989 260 E CA 1.016 57.414 56.400 -0.004 0.000 0.800 260 E CB -0.141 29.561 29.700 0.004 0.000 0.746 260 E HN 0.469 nan 8.360 nan 0.000 0.452 261 M N 0.170 119.788 119.600 0.030 0.000 2.213 261 M HA -0.135 4.428 4.480 0.138 0.000 0.263 261 M C 2.083 178.390 176.300 0.011 0.000 1.062 261 M CA 1.134 56.448 55.300 0.023 0.000 1.105 261 M CB -0.023 32.598 32.600 0.035 0.000 1.385 261 M HN 0.203 nan 8.290 nan 0.000 0.417 262 L N -0.759 120.472 121.223 0.013 0.000 2.418 262 L HA 0.133 4.556 4.340 0.138 0.000 0.218 262 L C 1.298 178.165 176.870 -0.005 0.000 1.125 262 L CA 0.289 55.132 54.840 0.005 0.000 0.835 262 L CB -0.450 41.613 42.059 0.007 0.000 0.953 262 L HN 0.579 nan 8.230 nan 0.000 0.454 263 G N 1.373 110.168 108.800 -0.009 0.000 2.198 263 G HA2 -0.301 3.742 3.960 0.138 0.000 0.257 263 G HA3 -0.301 3.742 3.960 0.138 0.000 0.257 263 G C -0.155 174.732 174.900 -0.023 0.000 1.042 263 G CA 0.527 45.618 45.100 -0.015 0.000 0.791 263 G HN 0.340 nan 8.290 nan 0.000 0.502 264 I N -0.449 120.101 120.570 -0.033 0.000 2.828 264 I HA 0.716 4.969 4.170 0.138 0.000 0.302 264 I C 0.151 176.219 176.117 -0.082 0.000 1.101 264 I CA -0.931 60.343 61.300 -0.043 0.000 1.031 264 I CB 2.062 40.045 38.000 -0.029 0.000 1.231 264 I HN 0.155 nan 8.210 nan 0.000 0.427 265 S N 6.203 121.840 115.700 -0.104 0.000 2.537 265 S HA 0.454 5.007 4.470 0.138 0.000 0.275 265 S C -1.709 172.763 174.600 -0.214 0.000 1.272 265 S CA -1.486 56.583 58.200 -0.219 0.000 1.050 265 S CB 1.201 64.260 63.200 -0.236 0.000 0.961 265 S HN 0.522 nan 8.310 nan 0.000 0.496 266 P HA -0.060 nan 4.420 nan 0.000 0.226 266 P C 0.357 177.645 177.300 -0.020 0.000 1.153 266 P CA 0.887 63.897 63.100 -0.150 0.000 0.777 266 P CB -0.128 31.488 31.700 -0.139 0.000 0.794 267 Y N 0.315 120.619 120.300 0.008 0.000 2.561 267 Y HA 0.019 4.652 4.550 0.138 0.000 0.291 267 Y C 1.500 177.408 175.900 0.013 0.000 1.141 267 Y CA -0.106 58.000 58.100 0.010 0.000 1.303 267 Y CB -1.067 37.399 38.460 0.010 0.000 1.015 267 Y HN 0.008 nan 8.280 nan 0.000 0.547 268 D N -0.512 119.952 120.400 0.106 0.000 2.398 268 D HA 0.122 4.845 4.640 0.138 0.000 0.210 268 D C 0.456 176.784 176.300 0.046 0.000 1.094 268 D CA 0.317 54.359 54.000 0.071 0.000 0.839 268 D CB 0.535 41.360 40.800 0.041 0.000 0.963 268 D HN 0.171 nan 8.370 nan 0.000 0.506 269 V N -2.131 117.810 119.914 0.045 0.000 2.994 269 V HA 0.864 5.067 4.120 0.138 0.000 0.318 269 V C 0.207 176.336 176.094 0.059 0.000 1.085 269 V CA -1.475 60.848 62.300 0.038 0.000 0.998 269 V CB 1.462 33.296 31.823 0.019 0.000 1.063 269 V HN -0.019 nan 8.190 nan 0.000 0.447 270 A N 2.379 125.243 122.820 0.074 0.000 2.498 270 A HA 0.430 4.833 4.320 0.138 0.000 0.239 270 A C 0.217 177.868 177.584 0.112 0.000 1.068 270 A CA -0.222 51.868 52.037 0.089 0.000 0.766 270 A CB -0.511 18.555 19.000 0.109 0.000 1.003 270 A HN 0.934 nan 8.150 nan 0.000 0.497 271 N N 0.979 119.714 118.700 0.058 0.000 2.370 271 N HA 0.352 5.175 4.740 0.138 0.000 0.303 271 N C -0.567 174.920 175.510 -0.038 0.000 1.103 271 N CA -0.479 52.602 53.050 0.052 0.000 0.848 271 N CB 1.840 40.355 38.487 0.047 0.000 1.235 271 N HN 0.663 nan 8.380 nan 0.000 0.496 272 E N 0.077 120.233 120.200 -0.073 0.000 2.714 272 E HA 0.216 4.649 4.350 0.138 0.000 0.219 272 E C 0.204 176.778 176.600 -0.043 0.000 0.979 272 E CA -0.029 56.280 56.400 -0.153 0.000 1.092 272 E CB 1.031 30.465 29.700 -0.443 0.000 1.049 272 E HN 0.807 nan 8.360 nan 0.000 0.487 273 G N 0.974 109.778 108.800 0.006 0.000 5.021 273 G HA2 0.151 4.194 3.960 0.138 0.000 0.254 273 G HA3 0.151 4.194 3.960 0.138 0.000 0.254 273 G C 0.073 174.993 174.900 0.034 0.000 0.932 273 G CA -0.302 44.816 45.100 0.029 0.000 0.743 273 G HN -0.219 nan 8.290 nan 0.000 0.441 274 K N -0.008 120.411 120.400 0.032 0.000 2.482 274 K HA 0.749 5.152 4.320 0.138 0.000 0.257 274 K C -1.448 175.175 176.600 0.039 0.000 0.969 274 K CA -0.893 55.414 56.287 0.034 0.000 0.842 274 K CB 2.818 35.338 32.500 0.034 0.000 1.359 274 K HN 0.094 nan 8.250 nan 0.000 0.441 275 V N 0.798 120.734 119.914 0.036 0.000 2.789 275 V HA 0.477 4.680 4.120 0.138 0.000 0.311 275 V C -1.272 174.841 176.094 0.031 0.000 1.073 275 V CA -0.790 61.536 62.300 0.043 0.000 0.921 275 V CB 2.192 34.048 31.823 0.056 0.000 1.009 275 V HN 0.429 nan 8.190 nan 0.000 0.426 276 V N 7.544 127.478 119.914 0.035 0.000 2.407 276 V HA 0.537 4.740 4.120 0.138 0.000 0.278 276 V C 0.080 176.193 176.094 0.032 0.000 1.037 276 V CA -0.252 62.064 62.300 0.026 0.000 0.900 276 V CB 1.342 33.180 31.823 0.025 0.000 0.983 276 V HN 0.908 nan 8.190 nan 0.000 0.459 277 M N 5.597 125.209 119.600 0.021 0.000 2.327 277 M HA 0.630 5.193 4.480 0.138 0.000 0.298 277 M C -1.785 174.523 176.300 0.013 0.000 1.065 277 M CA -0.535 54.778 55.300 0.022 0.000 0.916 277 M CB 2.099 34.702 32.600 0.004 0.000 1.630 277 M HN 0.405 nan 8.290 nan 0.000 0.442 278 V N 5.591 125.521 119.914 0.026 0.000 2.370 278 V HA 0.613 4.816 4.120 0.138 0.000 0.283 278 V C -0.426 175.653 176.094 -0.026 0.000 1.023 278 V CA -0.643 61.671 62.300 0.022 0.000 0.857 278 V CB 1.345 33.207 31.823 0.065 0.000 0.985 278 V HN 0.691 nan 8.190 nan 0.000 0.443 279 V N 2.356 122.224 119.914 -0.077 0.000 2.914 279 V HA 0.977 5.180 4.120 0.138 0.000 0.314 279 V C 0.354 176.316 176.094 -0.220 0.000 1.084 279 V CA -1.049 61.136 62.300 -0.193 0.000 0.963 279 V CB 1.739 33.497 31.823 -0.109 0.000 1.025 279 V HN 1.083 nan 8.190 nan 0.000 0.432 280 A N 2.698 125.280 122.820 -0.398 0.000 2.584 280 A HA 0.210 4.613 4.320 0.138 0.000 0.239 280 A C 1.405 179.002 177.584 0.021 0.000 1.043 280 A CA 0.754 52.710 52.037 -0.136 0.000 0.756 280 A CB -0.326 18.691 19.000 0.028 0.000 0.963 280 A HN 1.098 nan 8.150 nan 0.000 0.511 281 R N 1.236 121.755 120.500 0.030 0.000 2.113 281 R HA -0.203 4.220 4.340 0.138 0.000 0.244 281 R C 1.930 178.202 176.300 -0.046 0.000 1.142 281 R CA 2.057 58.157 56.100 0.001 0.000 0.953 281 R CB -0.132 30.172 30.300 0.007 0.000 0.860 281 R HN 0.958 nan 8.270 nan 0.000 0.438 282 E N -0.514 119.632 120.200 -0.090 0.000 2.409 282 E HA -0.204 4.229 4.350 0.138 0.000 0.198 282 E C 0.497 176.796 176.600 -0.503 0.000 1.024 282 E CA 1.203 57.435 56.400 -0.281 0.000 0.861 282 E CB -0.134 29.356 29.700 -0.350 0.000 0.788 282 E HN 0.562 nan 8.360 nan 0.000 0.521 283 Y N -0.079 120.183 120.300 -0.062 0.000 2.531 283 Y HA 0.470 5.103 4.550 0.138 0.000 0.249 283 Y C 2.227 178.080 175.900 -0.079 0.000 1.168 283 Y CA 0.085 58.140 58.100 -0.075 0.000 1.226 283 Y CB 0.492 38.893 38.460 -0.097 0.000 1.177 283 Y HN 0.132 nan 8.280 nan 0.000 0.527 284 A N 0.293 123.118 122.820 0.008 0.000 1.883 284 A HA -0.186 4.217 4.320 0.138 0.000 0.217 284 A C 2.168 179.742 177.584 -0.018 0.000 1.186 284 A CA 1.904 53.936 52.037 -0.009 0.000 0.624 284 A CB -0.238 18.748 19.000 -0.023 0.000 0.822 284 A HN 0.251 nan 8.150 nan 0.000 0.444 285 E N -0.132 120.049 120.200 -0.032 0.000 2.077 285 E HA -0.164 4.269 4.350 0.138 0.000 0.193 285 E C 1.986 178.572 176.600 -0.023 0.000 0.989 285 E CA 1.262 57.642 56.400 -0.032 0.000 0.800 285 E CB -0.358 29.316 29.700 -0.043 0.000 0.746 285 E HN 0.762 nan 8.360 nan 0.000 0.452 286 E N 0.331 120.525 120.200 -0.010 0.000 2.077 286 E HA -0.149 4.284 4.350 0.138 0.000 0.193 286 E C 1.986 178.580 176.600 -0.011 0.000 0.989 286 E CA 0.963 57.367 56.400 0.006 0.000 0.800 286 E CB -0.054 29.685 29.700 0.065 0.000 0.746 286 E HN 0.181 nan 8.360 nan 0.000 0.452 287 A N 1.132 123.947 122.820 -0.008 0.000 1.898 287 A HA -0.163 4.240 4.320 0.138 0.000 0.216 287 A C 2.150 179.705 177.584 -0.048 0.000 1.181 287 A CA 0.972 52.982 52.037 -0.044 0.000 0.620 287 A CB -0.517 18.454 19.000 -0.048 0.000 0.819 287 A HN 0.230 nan 8.150 nan 0.000 0.442 288 L N 0.086 121.288 121.223 -0.035 0.000 2.017 288 L HA -0.097 4.326 4.340 0.138 0.000 0.208 288 L C 2.676 179.525 176.870 -0.035 0.000 1.073 288 L CA 3.039 57.859 54.840 -0.033 0.000 0.745 288 L CB -0.998 41.044 42.059 -0.028 0.000 0.894 288 L HN 0.510 nan 8.230 nan 0.000 0.432 289 E N -0.322 119.858 120.200 -0.033 0.000 2.110 289 E HA -0.129 4.304 4.350 0.138 0.000 0.193 289 E C 2.203 178.778 176.600 -0.042 0.000 0.988 289 E CA 1.564 57.944 56.400 -0.033 0.000 0.804 289 E CB -1.268 28.415 29.700 -0.029 0.000 0.745 289 E HN 0.758 nan 8.360 nan 0.000 0.458 290 A N 0.259 123.048 122.820 -0.052 0.000 1.902 290 A HA -0.060 4.343 4.320 0.138 0.000 0.217 290 A C 2.535 180.076 177.584 -0.072 0.000 1.181 290 A CA 1.961 53.956 52.037 -0.070 0.000 0.623 290 A CB -0.383 18.560 19.000 -0.095 0.000 0.818 290 A HN 0.528 nan 8.150 nan 0.000 0.443 291 M N -1.130 118.431 119.600 -0.066 0.000 2.132 291 M HA -0.121 4.442 4.480 0.138 0.000 0.263 291 M C 2.268 178.542 176.300 -0.043 0.000 1.065 291 M CA 1.409 56.673 55.300 -0.059 0.000 1.122 291 M CB -0.350 32.220 32.600 -0.049 0.000 1.365 291 M HN 0.312 nan 8.290 nan 0.000 0.411 292 R N 0.445 120.923 120.500 -0.036 0.000 2.193 292 R HA -0.096 4.327 4.340 0.138 0.000 0.229 292 R C 1.711 177.995 176.300 -0.028 0.000 1.110 292 R CA 0.897 56.980 56.100 -0.028 0.000 0.988 292 R CB -0.238 30.048 30.300 -0.024 0.000 0.871 292 R HN 0.419 nan 8.270 nan 0.000 0.458 293 K N 0.352 120.732 120.400 -0.034 0.000 2.459 293 K HA -0.017 4.386 4.320 0.138 0.000 0.193 293 K C 0.756 177.336 176.600 -0.033 0.000 1.030 293 K CA 0.723 56.990 56.287 -0.033 0.000 1.026 293 K CB 0.326 32.803 32.500 -0.038 0.000 0.809 293 K HN 0.209 nan 8.250 nan 0.000 0.504 294 T N -2.131 112.401 114.554 -0.037 0.000 2.934 294 T HA 0.177 4.610 4.350 0.138 0.000 0.283 294 T C 0.956 175.643 174.700 -0.021 0.000 1.005 294 T CA -0.788 61.291 62.100 -0.034 0.000 1.041 294 T CB 2.066 70.906 68.868 -0.046 0.000 1.042 294 T HN -0.132 nan 8.240 nan 0.000 0.505 295 E N 0.893 121.085 120.200 -0.014 0.000 2.072 295 E HA -0.047 4.386 4.350 0.138 0.000 0.191 295 E C 1.810 178.410 176.600 -0.001 0.000 0.985 295 E CA 1.447 57.844 56.400 -0.005 0.000 0.801 295 E CB -0.150 29.551 29.700 0.001 0.000 0.750 295 E HN 0.743 nan 8.360 nan 0.000 0.452 296 K N -1.298 119.101 120.400 -0.000 0.000 2.432 296 K HA 0.085 4.488 4.320 0.138 0.000 0.196 296 K C 1.365 177.966 176.600 0.001 0.000 1.038 296 K CA 0.777 57.068 56.287 0.006 0.000 0.986 296 K CB 0.335 32.843 32.500 0.014 0.000 0.782 296 K HN 0.133 nan 8.250 nan 0.000 0.485 297 G N 0.087 108.880 108.800 -0.010 0.000 3.393 297 G HA2 -0.036 4.007 3.960 0.138 0.000 0.255 297 G HA3 -0.036 4.007 3.960 0.138 0.000 0.255 297 G C 1.029 175.921 174.900 -0.014 0.000 1.097 297 G CA -0.305 44.786 45.100 -0.015 0.000 0.780 297 G HN -0.002 nan 8.290 nan 0.000 0.540 298 R N 1.047 121.541 120.500 -0.010 0.000 2.139 298 R HA -0.071 4.352 4.340 0.138 0.000 0.243 298 R C 1.410 177.706 176.300 -0.008 0.000 1.145 298 R CA 1.308 57.403 56.100 -0.009 0.000 0.976 298 R CB -0.366 29.931 30.300 -0.005 0.000 0.866 298 R HN 0.437 nan 8.270 nan 0.000 0.449 299 N N -0.430 118.267 118.700 -0.004 0.000 2.251 299 N HA 0.244 5.067 4.740 0.138 0.000 0.217 299 N C -0.733 174.774 175.510 -0.004 0.000 1.124 299 N CA -0.029 53.020 53.050 -0.003 0.000 0.843 299 N CB 0.778 39.266 38.487 0.002 0.000 1.024 299 N HN 0.160 nan 8.380 nan 0.000 0.501 300 A N 0.960 123.775 122.820 -0.009 0.000 2.507 300 A HA 0.607 5.010 4.320 0.138 0.000 0.235 300 A C 0.310 177.887 177.584 -0.013 0.000 1.070 300 A CA 0.075 52.105 52.037 -0.011 0.000 0.768 300 A CB 0.272 19.261 19.000 -0.018 0.000 1.011 300 A HN 0.259 nan 8.150 nan 0.000 0.502 301 A N 0.949 123.761 122.820 -0.014 0.000 2.594 301 A HA 0.622 5.025 4.320 0.138 0.000 0.295 301 A C -0.694 176.879 177.584 -0.019 0.000 1.071 301 A CA -0.573 51.454 52.037 -0.016 0.000 0.685 301 A CB 0.732 19.724 19.000 -0.013 0.000 1.285 301 A HN 0.750 nan 8.150 nan 0.000 0.405 302 I N 2.376 122.933 120.570 -0.021 0.000 2.352 302 I HA 0.235 4.488 4.170 0.138 0.000 0.290 302 I C 0.999 177.101 176.117 -0.025 0.000 1.036 302 I CA 0.040 61.327 61.300 -0.022 0.000 1.336 302 I CB 1.040 39.027 38.000 -0.021 0.000 1.407 302 I HN 0.710 nan 8.210 nan 0.000 0.497 303 I N 2.444 122.996 120.570 -0.030 0.000 4.082 303 I HA 0.607 4.860 4.170 0.138 0.000 0.337 303 I C 0.662 176.753 176.117 -0.043 0.000 1.352 303 I CA -0.102 61.173 61.300 -0.041 0.000 1.097 303 I CB 0.454 38.419 38.000 -0.057 0.000 1.048 303 I HN 0.600 nan 8.210 nan 0.000 0.393 304 G N 1.548 110.330 108.800 -0.030 0.000 2.341 304 G HA2 0.462 4.505 3.960 0.138 0.000 0.299 304 G HA3 0.462 4.505 3.960 0.138 0.000 0.299 304 G C -2.004 172.889 174.900 -0.011 0.000 1.274 304 G CA -0.303 44.782 45.100 -0.025 0.000 0.853 304 G HN 0.433 nan 8.290 nan 0.000 0.493 305 E N -1.512 118.687 120.200 -0.002 0.000 2.413 305 E HA 0.628 5.060 4.350 0.138 0.000 0.277 305 E C -1.418 175.196 176.600 0.024 0.000 0.958 305 E CA -0.996 55.410 56.400 0.011 0.000 0.779 305 E CB 2.185 31.891 29.700 0.010 0.000 1.278 305 E HN 0.415 nan 8.360 nan 0.000 0.456 306 V N 2.505 122.441 119.914 0.036 0.000 2.498 306 V HA 0.352 4.555 4.120 0.138 0.000 0.279 306 V C 0.463 176.588 176.094 0.051 0.000 1.048 306 V CA -0.263 62.066 62.300 0.048 0.000 0.967 306 V CB 0.281 32.140 31.823 0.060 0.000 0.988 306 V HN 0.630 nan 8.190 nan 0.000 0.473 307 I N 1.862 122.468 120.570 0.060 0.000 3.067 307 I HA 0.845 5.098 4.170 0.138 0.000 0.312 307 I C 0.809 176.967 176.117 0.067 0.000 1.073 307 I CA -0.938 60.401 61.300 0.066 0.000 1.016 307 I CB 2.255 40.305 38.000 0.083 0.000 1.227 307 I HN 0.490 nan 8.210 nan 0.000 0.456 308 A N 1.049 123.903 122.820 0.057 0.000 2.238 308 A HA 0.229 4.632 4.320 0.138 0.000 0.210 308 A C 0.407 178.011 177.584 0.034 0.000 1.179 308 A CA 0.260 52.321 52.037 0.040 0.000 0.827 308 A CB -0.500 18.514 19.000 0.023 0.000 0.856 308 A HN 0.819 nan 8.150 nan 0.000 0.488 309 D N -1.918 118.520 120.400 0.063 0.000 2.326 309 D HA 0.431 5.154 4.640 0.138 0.000 0.251 309 D C -0.487 175.902 176.300 0.147 0.000 1.023 309 D CA -0.318 53.691 54.000 0.015 0.000 0.966 309 D CB 0.373 41.163 40.800 -0.017 0.000 1.156 309 D HN 0.186 nan 8.370 nan 0.000 0.494 310 Y N -0.615 119.726 120.300 0.069 0.000 3.225 310 Y HA -0.285 4.348 4.550 0.138 0.000 0.211 310 Y C 0.480 176.417 175.900 0.063 0.000 1.223 310 Y CA 0.346 58.503 58.100 0.094 0.000 1.284 310 Y CB -1.814 36.761 38.460 0.192 0.000 1.367 310 Y HN 0.088 nan 8.280 nan 0.000 0.566 311 R N 0.664 121.234 120.500 0.116 0.000 2.502 311 R HA 0.274 4.697 4.340 0.138 0.000 0.292 311 R C 1.420 177.760 176.300 0.067 0.000 0.998 311 R CA 1.061 57.210 56.100 0.081 0.000 1.056 311 R CB 0.164 30.488 30.300 0.039 0.000 0.939 311 R HN 0.701 nan 8.270 nan 0.000 0.411 312 G N 1.752 110.589 108.800 0.062 0.000 2.195 312 G HA2 -0.204 3.839 3.960 0.138 0.000 0.224 312 G HA3 -0.204 3.839 3.960 0.138 0.000 0.224 312 G C -0.135 174.785 174.900 0.034 0.000 0.990 312 G CA -0.237 44.884 45.100 0.036 0.000 0.639 312 G HN 0.422 nan 8.290 nan 0.000 0.514 313 K N 0.017 120.464 120.400 0.079 0.000 2.281 313 K HA 0.798 5.201 4.320 0.138 0.000 0.242 313 K C -0.424 176.261 176.600 0.143 0.000 0.971 313 K CA -0.810 55.528 56.287 0.086 0.000 0.834 313 K CB 2.543 35.103 32.500 0.100 0.000 1.181 313 K HN 0.232 nan 8.250 nan 0.000 0.435 314 V N 2.717 122.728 119.914 0.162 0.000 2.409 314 V HA 0.327 4.530 4.120 0.138 0.000 0.291 314 V C -0.716 175.465 176.094 0.145 0.000 1.020 314 V CA -0.949 61.422 62.300 0.118 0.000 0.848 314 V CB 1.308 33.170 31.823 0.066 0.000 0.990 314 V HN 0.453 nan 8.190 nan 0.000 0.430 315 L N 5.571 126.809 121.223 0.025 0.000 2.295 315 L HA 0.589 5.012 4.340 0.138 0.000 0.285 315 L C -0.470 176.330 176.870 -0.117 0.000 1.035 315 L CA -0.254 54.506 54.840 -0.132 0.000 0.806 315 L CB 1.519 43.422 42.059 -0.260 0.000 1.214 315 L HN 0.526 nan 8.230 nan 0.000 0.426 316 L N 3.213 124.353 121.223 -0.138 0.000 2.313 316 L HA 0.478 4.901 4.340 0.138 0.000 0.283 316 L C -0.267 176.536 176.870 -0.110 0.000 1.013 316 L CA 0.032 54.808 54.840 -0.107 0.000 0.816 316 L CB 1.188 43.203 42.059 -0.074 0.000 1.236 316 L HN 0.575 nan 8.230 nan 0.000 0.419 317 E N 2.470 122.616 120.200 -0.090 0.000 2.216 317 E HA 0.399 4.832 4.350 0.138 0.000 0.279 317 E C -0.426 176.145 176.600 -0.050 0.000 0.997 317 E CA -0.474 55.881 56.400 -0.075 0.000 0.817 317 E CB 1.247 30.909 29.700 -0.064 0.000 1.096 317 E HN 0.719 nan 8.360 nan 0.000 0.393 318 T N -0.798 113.732 114.554 -0.041 0.000 2.881 318 T HA 0.276 4.709 4.350 0.138 0.000 0.278 318 T C 1.340 176.028 174.700 -0.020 0.000 0.982 318 T CA -0.342 61.745 62.100 -0.021 0.000 0.989 318 T CB 1.489 70.347 68.868 -0.018 0.000 1.058 318 T HN 0.486 nan 8.240 nan 0.000 0.529 319 G N 0.181 108.974 108.800 -0.011 0.000 2.442 319 G HA2 -0.104 3.939 3.960 0.138 0.000 0.219 319 G HA3 -0.104 3.939 3.960 0.138 0.000 0.219 319 G C 1.246 176.138 174.900 -0.013 0.000 1.141 319 G CA 0.655 45.749 45.100 -0.011 0.000 0.763 319 G HN 0.819 nan 8.290 nan 0.000 0.554 320 I N 0.603 121.165 120.570 -0.014 0.000 3.564 320 I HA 0.193 4.446 4.170 0.138 0.000 0.294 320 I C 2.025 178.130 176.117 -0.019 0.000 1.289 320 I CA 0.614 61.906 61.300 -0.014 0.000 1.325 320 I CB 0.028 38.020 38.000 -0.012 0.000 1.039 320 I HN 0.348 nan 8.210 nan 0.000 0.474 321 G N 0.771 109.556 108.800 -0.025 0.000 2.218 321 G HA2 -0.194 3.849 3.960 0.138 0.000 0.216 321 G HA3 -0.194 3.849 3.960 0.138 0.000 0.216 321 G C 0.712 175.586 174.900 -0.044 0.000 0.994 321 G CA -0.343 44.738 45.100 -0.032 0.000 0.637 321 G HN 0.555 nan 8.290 nan 0.000 0.505 322 G N 0.471 109.246 108.800 -0.041 0.000 2.391 322 G HA2 0.418 4.461 3.960 0.138 0.000 0.234 322 G HA3 0.418 4.461 3.960 0.138 0.000 0.234 322 G C -0.045 174.808 174.900 -0.079 0.000 1.284 322 G CA 0.580 45.648 45.100 -0.052 0.000 0.873 322 G HN 0.536 nan 8.290 nan 0.000 0.549 323 K N 0.990 121.322 120.400 -0.113 0.000 2.422 323 K HA 0.609 5.011 4.320 0.138 0.000 0.251 323 K C -0.064 176.398 176.600 -0.230 0.000 0.933 323 K CA -0.826 55.354 56.287 -0.178 0.000 0.798 323 K CB 2.671 35.037 32.500 -0.224 0.000 1.238 323 K HN 0.843 nan 8.250 nan 0.000 0.428 324 R N 1.002 121.340 120.500 -0.271 0.000 2.710 324 R HA 0.387 4.810 4.340 0.138 0.000 0.270 324 R C -1.445 174.657 176.300 -0.331 0.000 1.021 324 R CA -0.859 55.072 56.100 -0.281 0.000 0.889 324 R CB 0.602 30.842 30.300 -0.100 0.000 1.243 324 R HN 0.272 nan 8.270 nan 0.000 0.464 325 F N 1.601 121.511 119.950 -0.066 0.000 2.443 325 F HA 0.308 4.918 4.527 0.138 0.000 0.353 325 F C 0.995 176.778 175.800 -0.027 0.000 1.101 325 F CA -0.565 57.397 58.000 -0.064 0.000 1.226 325 F CB 1.412 40.380 39.000 -0.054 0.000 1.140 325 F HN 0.285 nan 8.300 nan 0.000 0.557 326 M N 4.617 124.317 119.600 0.166 0.000 2.094 326 M HA 0.223 4.786 4.480 0.138 0.000 0.348 326 M C -0.869 175.498 176.300 0.113 0.000 1.267 326 M CA -0.296 55.068 55.300 0.107 0.000 1.125 326 M CB 0.175 32.800 32.600 0.040 0.000 1.527 326 M HN 0.509 nan 8.290 nan 0.000 0.447 327 E N 5.777 126.041 120.200 0.106 0.000 2.214 327 E HA 0.516 4.949 4.350 0.138 0.000 0.274 327 E C -2.497 174.141 176.600 0.063 0.000 0.977 327 E CA -1.790 54.654 56.400 0.072 0.000 0.827 327 E CB 1.063 30.800 29.700 0.062 0.000 1.130 327 E HN 0.469 nan 8.360 nan 0.000 0.394 328 P HA 0.073 nan 4.420 nan 0.000 0.270 328 P C -2.374 174.949 177.300 0.038 0.000 1.223 328 P CA -0.825 62.300 63.100 0.041 0.000 0.785 328 P CB -0.278 31.437 31.700 0.025 0.000 0.923 329 P HA 0.016 nan 4.420 nan 0.000 0.265 329 P C 0.006 177.317 177.300 0.018 0.000 1.193 329 P CA 0.782 63.899 63.100 0.028 0.000 0.765 329 P CB 0.735 32.450 31.700 0.025 0.000 0.823 330 E N 1.099 121.308 120.200 0.016 0.000 2.511 330 E HA -0.041 4.392 4.350 0.138 0.000 0.253 330 E C 0.829 177.436 176.600 0.011 0.000 1.159 330 E CA 1.168 57.575 56.400 0.010 0.000 1.269 330 E CB -1.775 27.929 29.700 0.006 0.000 1.946 330 E HN 0.566 nan 8.360 nan 0.000 0.633 331 G N 1.636 110.440 108.800 0.007 0.000 2.641 331 G HA2 0.253 4.296 3.960 0.138 0.000 0.310 331 G HA3 0.253 4.296 3.960 0.138 0.000 0.310 331 G C -0.121 174.785 174.900 0.010 0.000 1.291 331 G CA 1.512 46.616 45.100 0.006 0.000 1.133 331 G HN 1.051 nan 8.290 nan 0.000 0.660 332 D N -1.984 118.420 120.400 0.008 0.000 9.405 332 D HA -0.199 4.524 4.640 0.138 0.000 0.351 332 D C -1.996 174.316 176.300 0.021 0.000 2.893 332 D CA 0.748 54.756 54.000 0.013 0.000 2.102 332 D CB -1.226 39.580 40.800 0.010 0.000 1.141 332 D HN 0.436 nan 8.370 nan 0.000 1.146 333 P HA 0.574 nan 4.420 nan 0.000 0.218 333 P C -0.040 177.278 177.300 0.030 0.000 0.766 333 P CA 0.605 63.724 63.100 0.032 0.000 1.134 333 P CB 1.167 32.899 31.700 0.053 0.000 0.825 334 V N 0.000 119.936 119.914 0.037 0.000 2.409 334 V HA 0.000 4.203 4.120 0.138 0.000 0.244 334 V CA 0.000 62.319 62.300 0.031 0.000 1.235 334 V CB 0.000 31.839 31.823 0.027 0.000 1.184 334 V HN 0.000 nan 8.190 nan 0.000 0.556