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 2x3l_1_B DATA FIRST_RESID 5 DATA SEQUENCE PILNKLESLN QEEAISLHVP GHKNMTIGHL SQLSMTMDKT EIPGLDDLHH DATA SEQUENCE PEEVILKSMK QVEKHSDYDG YFLVNGTTSG ILSVIQSFSQ KKGDILMARN DATA SEQUENCE VHKSVLHALD ISQQEGHFIE THQSPLTNHY NKVNLXXXXX XXHKLVVLTY DATA SEQUENCE PNYYGETFNV EEVIKSLHQL NIPVLIDEAH GAHFGLQGFP DSTLNYQADY DATA SEQUENCE VVQSFHXTLP ALTMGSVLYI HKNAPYRENI IEYLSYFQTS SPSYLIMASL DATA SEQUENCE ESAAQFYKTY DSTLFFAKRA QLIECLENKG FEMLQVDDPL KLLIKYEGFT DATA SEQUENCE GHDIQNWFMN AHIYLELADD YQALAILPLW HHDDTYLFDS LLRKIEDMIL DATA SEQUENCE PKKSVXXXXX XQLLTTEGNY KPKXXXYVTW CDLKKAKGKV LARHIVPYPP DATA SEQUENCE GIPIIFKGET ITENMIELVN EYLETGMIVE GIKNNKILV 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 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.304 177.300 0.006 0.000 1.155 5 P CA 0.000 63.105 63.100 0.007 0.000 0.800 5 P CB 0.000 31.705 31.700 0.008 0.000 0.726 6 I N 0.618 121.191 120.570 0.005 0.000 2.179 6 I HA -0.177 4.159 4.170 0.275 0.000 0.242 6 I C 2.341 178.460 176.117 0.002 0.000 1.088 6 I CA 1.121 62.423 61.300 0.003 0.000 1.357 6 I CB -0.250 37.752 38.000 0.003 0.000 1.051 6 I HN -0.031 nan 8.210 nan 0.000 0.409 7 L N 1.210 122.435 121.223 0.004 0.000 2.042 7 L HA -0.244 4.261 4.340 0.275 0.000 0.210 7 L C 2.054 178.927 176.870 0.004 0.000 1.076 7 L CA 2.015 56.857 54.840 0.004 0.000 0.749 7 L CB -1.003 41.059 42.059 0.004 0.000 0.893 7 L HN 0.227 nan 8.230 nan 0.000 0.432 8 N N -0.939 117.764 118.700 0.006 0.000 2.166 8 N HA -0.267 4.638 4.740 0.275 0.000 0.186 8 N C 1.844 177.359 175.510 0.008 0.000 1.019 8 N CA 1.259 54.313 53.050 0.008 0.000 0.856 8 N CB -0.071 38.422 38.487 0.009 0.000 0.993 8 N HN 0.220 nan 8.380 nan 0.000 0.426 9 K N 0.663 121.067 120.400 0.006 0.000 2.103 9 K HA 0.045 4.530 4.320 0.275 0.000 0.204 9 K C 1.685 178.283 176.600 -0.003 0.000 1.052 9 K CA 1.029 57.319 56.287 0.005 0.000 0.945 9 K CB -0.334 32.166 32.500 0.001 0.000 0.722 9 K HN 0.203 nan 8.250 nan 0.000 0.443 10 L N 0.600 121.819 121.223 -0.005 0.000 2.056 10 L HA -0.120 4.385 4.340 0.275 0.000 0.207 10 L C 2.368 179.238 176.870 -0.001 0.000 1.078 10 L CA 1.499 56.335 54.840 -0.007 0.000 0.749 10 L CB -0.445 41.614 42.059 -0.002 0.000 0.901 10 L HN 0.299 nan 8.230 nan 0.000 0.433 11 E N 0.033 120.234 120.200 0.003 0.000 2.085 11 E HA -0.225 4.290 4.350 0.275 0.000 0.194 11 E C 2.349 178.952 176.600 0.005 0.000 0.994 11 E CA 1.717 58.120 56.400 0.004 0.000 0.801 11 E CB -0.097 29.606 29.700 0.005 0.000 0.743 11 E HN 0.555 nan 8.360 nan 0.000 0.453 12 S N 1.215 116.921 115.700 0.008 0.000 2.356 12 S HA -0.156 4.479 4.470 0.275 0.000 0.223 12 S C 2.154 176.764 174.600 0.017 0.000 1.032 12 S CA 0.820 59.029 58.200 0.015 0.000 1.005 12 S CB -0.642 62.574 63.200 0.027 0.000 0.867 12 S HN 0.173 nan 8.310 nan 0.000 0.449 13 L N 1.721 122.952 121.223 0.014 0.000 2.079 13 L HA -0.140 4.366 4.340 0.275 0.000 0.210 13 L C 2.672 179.549 176.870 0.013 0.000 1.081 13 L CA 1.365 56.214 54.840 0.014 0.000 0.752 13 L CB -0.822 41.211 42.059 -0.044 0.000 0.896 13 L HN 0.345 nan 8.230 nan 0.000 0.433 14 N N -0.504 118.199 118.700 0.005 0.000 2.084 14 N HA -0.182 4.723 4.740 0.275 0.000 0.190 14 N C 1.886 177.392 175.510 -0.007 0.000 1.030 14 N CA 1.078 54.131 53.050 0.004 0.000 0.849 14 N CB -0.227 38.263 38.487 0.006 0.000 1.012 14 N HN 0.327 nan 8.380 nan 0.000 0.423 15 Q N 0.864 120.657 119.800 -0.012 0.000 2.224 15 Q HA -0.045 4.460 4.340 0.275 0.000 0.203 15 Q C 1.159 177.124 176.000 -0.059 0.000 0.970 15 Q CA 0.850 56.637 55.803 -0.025 0.000 0.865 15 Q CB -0.139 28.588 28.738 -0.018 0.000 0.922 15 Q HN 0.586 nan 8.270 nan 0.000 0.445 16 E N 0.772 120.924 120.200 -0.080 0.000 2.502 16 E HA -0.029 4.487 4.350 0.275 0.000 0.194 16 E C -0.615 175.883 176.600 -0.170 0.000 1.062 16 E CA -0.134 56.139 56.400 -0.211 0.000 0.867 16 E CB 0.123 29.665 29.700 -0.264 0.000 0.888 16 E HN 0.311 nan 8.360 nan 0.000 0.510 17 E N -0.298 119.866 120.200 -0.059 0.000 2.252 17 E HA -0.224 4.291 4.350 0.275 0.000 0.218 17 E C -0.476 176.144 176.600 0.033 0.000 1.253 17 E CA 0.026 56.413 56.400 -0.021 0.000 0.705 17 E CB -1.533 28.146 29.700 -0.036 0.000 1.172 17 E HN 0.332 nan 8.360 nan 0.000 0.369 18 A N 1.083 123.961 122.820 0.095 0.000 2.511 18 A HA 0.353 4.839 4.320 0.275 0.000 0.242 18 A C 0.414 178.103 177.584 0.175 0.000 1.069 18 A CA 0.231 52.413 52.037 0.242 0.000 0.763 18 A CB 0.296 19.448 19.000 0.253 0.000 1.001 18 A HN 0.375 nan 8.150 nan 0.000 0.498 19 I N 2.128 122.834 120.570 0.227 0.000 2.321 19 I HA 0.198 4.533 4.170 0.275 0.000 0.291 19 I C 0.659 176.890 176.117 0.190 0.000 0.998 19 I CA -0.040 61.315 61.300 0.093 0.000 1.227 19 I CB 1.757 39.780 38.000 0.039 0.000 1.368 19 I HN 0.603 nan 8.210 nan 0.000 0.466 20 S N 7.119 122.861 115.700 0.070 0.000 2.465 20 S HA 0.448 5.083 4.470 0.275 0.000 0.279 20 S C 0.123 174.741 174.600 0.029 0.000 1.201 20 S CA -0.457 57.678 58.200 -0.109 0.000 1.053 20 S CB 0.312 63.226 63.200 -0.478 0.000 0.953 20 S HN 0.579 nan 8.310 nan 0.000 0.488 21 L N 5.845 127.104 121.223 0.060 0.000 3.154 21 L HA 0.380 4.886 4.340 0.275 0.000 0.266 21 L C -0.216 176.676 176.870 0.037 0.000 1.300 21 L CA -0.482 54.383 54.840 0.041 0.000 1.028 21 L CB -0.439 41.665 42.059 0.075 0.000 1.412 21 L HN 0.820 nan 8.230 nan 0.000 0.564 22 H N -2.747 116.343 119.070 0.033 0.000 2.908 22 H HA 0.610 5.330 4.556 0.275 0.000 0.350 22 H C -0.244 175.061 175.328 -0.039 0.000 1.217 22 H CA -1.231 54.823 56.048 0.010 0.000 1.168 22 H CB 0.832 30.623 29.762 0.048 0.000 1.891 22 H HN -0.134 nan 8.280 nan 0.000 0.566 23 V N -0.943 119.073 119.914 0.169 0.000 2.843 23 V HA 0.381 4.666 4.120 0.275 0.000 0.305 23 V C -2.277 173.898 176.094 0.135 0.000 1.065 23 V CA -1.422 60.912 62.300 0.058 0.000 1.116 23 V CB 0.196 32.044 31.823 0.041 0.000 0.968 23 V HN 0.872 nan 8.190 nan 0.000 0.487 24 P HA 0.317 nan 4.420 nan 0.000 0.278 24 P C 0.735 177.831 177.300 -0.340 0.000 1.266 24 P CA -0.174 62.829 63.100 -0.162 0.000 0.807 24 P CB 1.423 33.041 31.700 -0.137 0.000 1.094 25 G N -0.220 108.419 108.800 -0.268 0.000 2.882 25 G HA2 -0.167 3.959 3.960 0.275 0.000 0.206 25 G HA3 -0.167 3.959 3.960 0.275 0.000 0.206 25 G C 0.886 175.620 174.900 -0.277 0.000 1.155 25 G CA 0.435 45.362 45.100 -0.289 0.000 0.800 25 G HN 0.741 nan 8.290 nan 0.000 0.524 26 H N -1.686 117.285 119.070 -0.164 0.000 2.563 26 H HA 0.281 5.002 4.556 0.274 0.000 0.264 26 H C 0.814 176.086 175.328 -0.094 0.000 0.957 26 H CA -0.117 55.834 56.048 -0.162 0.000 1.173 26 H CB 0.279 29.965 29.762 -0.126 0.000 1.420 26 H HN -0.019 nan 8.280 nan 0.000 0.551 27 K N 1.661 121.893 120.400 -0.280 0.000 3.653 27 K HA -0.220 4.265 4.320 0.275 0.000 0.275 27 K C -0.579 176.037 176.600 0.027 0.000 0.962 27 K CA 0.839 57.050 56.287 -0.128 0.000 0.773 27 K CB -2.253 30.259 32.500 0.020 0.000 1.463 27 K HN 0.811 nan 8.250 nan 0.000 0.450 28 N N 0.328 119.053 118.700 0.042 0.000 2.727 28 N HA -0.235 4.670 4.740 0.275 0.000 0.249 28 N C 0.114 175.732 175.510 0.180 0.000 1.048 28 N CA 1.364 54.502 53.050 0.145 0.000 0.714 28 N CB -0.640 37.886 38.487 0.065 0.000 0.959 28 N HN 0.622 nan 8.380 nan 0.000 0.544 29 M N -3.079 116.710 119.600 0.315 0.000 2.620 29 M HA -0.209 4.436 4.480 0.275 0.000 0.208 29 M C 1.230 177.589 176.300 0.098 0.000 0.468 29 M CA 1.659 57.036 55.300 0.130 0.000 0.603 29 M CB -2.879 29.737 32.600 0.027 0.000 2.246 29 M HN 0.537 nan 8.290 nan 0.000 0.753 30 T N -3.993 110.639 114.554 0.130 0.000 2.999 30 T HA 0.349 4.864 4.350 0.275 0.000 0.247 30 T C 0.838 175.617 174.700 0.132 0.000 1.012 30 T CA -0.150 62.033 62.100 0.139 0.000 1.048 30 T CB 0.960 69.955 68.868 0.211 0.000 1.020 30 T HN 0.292 nan 8.240 nan 0.000 0.478 31 I N 2.334 122.961 120.570 0.096 0.000 2.437 31 I HA 0.664 4.999 4.170 0.275 0.000 0.298 31 I C 1.265 177.312 176.117 -0.117 0.000 0.984 31 I CA 0.037 61.371 61.300 0.057 0.000 1.214 31 I CB 0.331 38.281 38.000 -0.083 0.000 1.365 31 I HN 0.695 nan 8.210 nan 0.000 0.469 32 G N 5.520 114.144 108.800 -0.294 0.000 2.685 32 G HA2 -0.169 3.957 3.960 0.275 0.000 0.387 32 G HA3 -0.169 3.957 3.960 0.275 0.000 0.387 32 G C -0.333 174.254 174.900 -0.521 0.000 1.324 32 G CA -0.667 43.993 45.100 -0.733 0.000 0.878 32 G HN 0.740 nan 8.290 nan 0.000 0.527 33 H N 0.463 119.494 119.070 -0.065 0.000 2.502 33 H HA 0.332 5.053 4.556 0.275 0.000 0.268 33 H C 1.777 177.096 175.328 -0.015 0.000 1.177 33 H CA -0.110 55.945 56.048 0.013 0.000 0.961 33 H CB -0.066 29.729 29.762 0.056 0.000 1.737 33 H HN 0.324 nan 8.280 nan 0.000 0.569 34 L N 0.479 121.701 121.223 -0.002 0.000 2.554 34 L HA -0.064 4.441 4.340 0.275 0.000 0.226 34 L C 2.370 179.223 176.870 -0.029 0.000 1.137 34 L CA 0.529 55.343 54.840 -0.042 0.000 0.863 34 L CB -0.090 41.880 42.059 -0.148 0.000 0.985 34 L HN 0.228 nan 8.230 nan 0.000 0.451 35 S N -0.381 115.323 115.700 0.007 0.000 2.440 35 S HA -0.251 4.384 4.470 0.275 0.000 0.240 35 S C 1.747 176.363 174.600 0.027 0.000 1.014 35 S CA 1.036 59.248 58.200 0.020 0.000 0.980 35 S CB -0.282 62.947 63.200 0.049 0.000 0.775 35 S HN 0.555 nan 8.310 nan 0.000 0.499 36 Q N 0.300 120.124 119.800 0.041 0.000 2.311 36 Q HA 0.235 4.741 4.340 0.275 0.000 0.203 36 Q C 0.509 176.517 176.000 0.014 0.000 0.954 36 Q CA 0.315 56.138 55.803 0.033 0.000 0.885 36 Q CB -0.177 28.588 28.738 0.046 0.000 0.963 36 Q HN 0.579 nan 8.270 nan 0.000 0.471 37 L N 1.005 122.229 121.223 0.001 0.000 2.453 37 L HA 0.184 4.689 4.340 0.275 0.000 0.261 37 L C 0.429 177.291 176.870 -0.014 0.000 1.179 37 L CA -0.301 54.533 54.840 -0.011 0.000 0.813 37 L CB 0.997 43.039 42.059 -0.028 0.000 1.110 37 L HN 0.015 nan 8.230 nan 0.000 0.466 38 S N 1.157 116.849 115.700 -0.014 0.000 2.579 38 S HA 0.395 5.030 4.470 0.275 0.000 0.272 38 S C 0.302 174.893 174.600 -0.014 0.000 1.141 38 S CA -0.860 57.332 58.200 -0.014 0.000 0.843 38 S CB 1.637 64.831 63.200 -0.009 0.000 1.122 38 S HN 0.637 nan 8.310 nan 0.000 0.468 39 M N 1.623 121.215 119.600 -0.014 0.000 2.460 39 M HA -0.036 4.610 4.480 0.275 0.000 0.263 39 M C 2.144 178.436 176.300 -0.012 0.000 1.071 39 M CA 1.604 56.897 55.300 -0.012 0.000 1.096 39 M CB -0.922 31.672 32.600 -0.011 0.000 1.408 39 M HN 0.975 nan 8.290 nan 0.000 0.463 40 T N -1.497 113.049 114.554 -0.014 0.000 2.929 40 T HA -0.088 4.428 4.350 0.275 0.000 0.271 40 T C 1.466 176.149 174.700 -0.028 0.000 1.085 40 T CA 0.953 63.041 62.100 -0.019 0.000 1.125 40 T CB -0.359 68.498 68.868 -0.018 0.000 0.874 40 T HN 0.430 nan 8.240 nan 0.000 0.494 41 M N 1.242 120.827 119.600 -0.024 0.000 2.618 41 M HA 0.196 4.841 4.480 0.275 0.000 0.240 41 M C 0.611 176.896 176.300 -0.024 0.000 1.123 41 M CA 0.176 55.458 55.300 -0.031 0.000 1.060 41 M CB -0.325 32.266 32.600 -0.015 0.000 1.535 41 M HN 0.052 nan 8.290 nan 0.000 0.507 42 D N 2.721 123.116 120.400 -0.009 0.000 2.489 42 D HA 0.069 4.875 4.640 0.275 0.000 0.237 42 D C 0.148 176.441 176.300 -0.012 0.000 1.212 42 D CA 0.493 54.503 54.000 0.016 0.000 1.058 42 D CB 0.364 41.173 40.800 0.015 0.000 1.098 42 D HN 0.206 nan 8.370 nan 0.000 0.509 43 K N 0.963 121.321 120.400 -0.070 0.000 2.066 43 K HA 0.601 5.087 4.320 0.275 0.000 0.261 43 K C 0.258 176.765 176.600 -0.155 0.000 0.992 43 K CA -0.812 55.370 56.287 -0.174 0.000 1.309 43 K CB 0.923 33.239 32.500 -0.308 0.000 2.459 43 K HN 0.203 nan 8.250 nan 0.000 0.942 44 T N 0.009 114.371 114.554 -0.320 0.000 2.653 44 T HA 0.035 4.550 4.350 0.275 0.000 0.306 44 T C -1.529 173.106 174.700 -0.108 0.000 1.426 44 T CA -0.661 61.406 62.100 -0.055 0.000 1.008 44 T CB 1.035 69.909 68.868 0.010 0.000 1.692 44 T HN 0.575 nan 8.240 nan 0.000 0.483 45 E N 2.283 122.542 120.200 0.098 0.000 2.860 45 E HA 0.298 4.814 4.350 0.275 0.000 0.318 45 E C 0.519 177.128 176.600 0.015 0.000 1.481 45 E CA -0.262 56.199 56.400 0.100 0.000 1.613 45 E CB -1.161 28.612 29.700 0.122 0.000 1.279 45 E HN 0.568 nan 8.360 nan 0.000 0.489 46 I N -2.721 117.819 120.570 -0.050 0.000 2.532 46 I HA 0.416 4.751 4.170 0.275 0.000 0.292 46 I C -2.327 173.771 176.117 -0.030 0.000 1.014 46 I CA -3.218 58.055 61.300 -0.046 0.000 1.340 46 I CB 0.309 38.266 38.000 -0.073 0.000 1.422 46 I HN -0.109 nan 8.210 nan 0.000 0.528 47 P HA 0.122 nan 4.420 nan 0.000 0.264 47 P C 0.802 178.095 177.300 -0.012 0.000 1.183 47 P CA 1.074 64.171 63.100 -0.005 0.000 0.763 47 P CB 0.735 32.432 31.700 -0.004 0.000 0.807 48 G N 1.834 110.635 108.800 0.001 0.000 2.349 48 G HA2 -0.194 3.932 3.960 0.275 0.000 0.213 48 G HA3 -0.194 3.932 3.960 0.275 0.000 0.213 48 G C -0.159 174.743 174.900 0.003 0.000 1.044 48 G CA -0.368 44.731 45.100 -0.002 0.000 0.633 48 G HN 0.472 nan 8.290 nan 0.000 0.506 49 L N 0.930 122.145 121.223 -0.013 0.000 2.387 49 L HA 0.633 5.138 4.340 0.275 0.000 0.266 49 L C 0.946 177.874 176.870 0.097 0.000 1.059 49 L CA -0.884 53.971 54.840 0.026 0.000 0.801 49 L CB 1.082 43.054 42.059 -0.144 0.000 1.223 49 L HN 0.236 nan 8.230 nan 0.000 0.456 50 D N -0.322 120.190 120.400 0.186 0.000 2.311 50 D HA 0.150 4.955 4.640 0.275 0.000 0.284 50 D C -1.097 175.298 176.300 0.159 0.000 1.182 50 D CA 0.035 54.122 54.000 0.145 0.000 1.111 50 D CB 0.906 41.782 40.800 0.127 0.000 1.176 50 D HN 0.496 nan 8.370 nan 0.000 0.539 51 D N -0.227 120.243 120.400 0.115 0.000 2.738 51 D HA 0.053 4.858 4.640 0.275 0.000 0.218 51 D C 0.489 176.794 176.300 0.009 0.000 1.345 51 D CA -0.518 53.529 54.000 0.078 0.000 0.943 51 D CB 0.819 41.687 40.800 0.112 0.000 1.514 51 D HN 0.162 nan 8.370 nan 0.000 0.585 52 L N 4.326 125.454 121.223 -0.159 0.000 2.079 52 L HA -0.061 4.444 4.340 0.275 0.000 0.210 52 L C 1.264 178.049 176.870 -0.142 0.000 1.081 52 L CA 1.950 56.658 54.840 -0.220 0.000 0.752 52 L CB -0.410 41.387 42.059 -0.436 0.000 0.896 52 L HN 0.534 nan 8.230 nan 0.000 0.433 53 H N -1.587 117.546 119.070 0.105 0.000 2.536 53 H HA 0.246 4.995 4.556 0.321 0.000 0.276 53 H C 0.111 175.554 175.328 0.191 0.000 1.019 53 H CA 0.327 56.448 56.048 0.123 0.000 1.159 53 H CB -0.225 29.607 29.762 0.117 0.000 1.373 53 H HN 0.484 nan 8.280 nan 0.000 0.584 54 H N -0.009 119.123 119.070 0.103 0.000 3.385 54 H HA 0.128 4.845 4.556 0.269 0.000 0.205 54 H C -2.842 172.522 175.328 0.059 0.000 1.317 54 H CA -1.091 55.005 56.048 0.080 0.000 1.289 54 H CB 1.444 31.251 29.762 0.075 0.000 2.427 54 H HN 0.157 nan 8.280 nan 0.000 0.522 55 P HA 0.192 nan 4.420 nan 0.000 0.281 55 P C 0.096 177.424 177.300 0.046 0.000 1.286 55 P CA 0.110 63.250 63.100 0.067 0.000 0.772 55 P CB 0.899 32.630 31.700 0.052 0.000 0.862 56 E N 1.642 121.880 120.200 0.063 0.000 2.945 56 E HA 0.125 4.641 4.350 0.275 0.000 0.196 56 E C 0.109 176.738 176.600 0.048 0.000 0.965 56 E CA -0.035 56.394 56.400 0.048 0.000 1.270 56 E CB 0.885 30.620 29.700 0.059 0.000 1.045 56 E HN 0.513 nan 8.360 nan 0.000 0.474 57 E N -0.511 119.721 120.200 0.054 0.000 4.218 57 E HA 0.072 4.588 4.350 0.275 0.000 0.120 57 E C 1.315 177.950 176.600 0.058 0.000 1.177 57 E CA 0.317 56.748 56.400 0.052 0.000 0.754 57 E CB 0.287 30.021 29.700 0.056 0.000 1.924 57 E HN -0.004 nan 8.360 nan 0.000 0.458 58 V N -0.181 119.774 119.914 0.068 0.000 2.568 58 V HA -0.188 4.097 4.120 0.275 0.000 0.253 58 V C 1.941 178.096 176.094 0.101 0.000 1.072 58 V CA 1.550 63.897 62.300 0.077 0.000 1.084 58 V CB -0.634 31.236 31.823 0.079 0.000 0.676 58 V HN 0.371 nan 8.190 nan 0.000 0.469 59 I N -0.360 120.277 120.570 0.112 0.000 2.333 59 I HA -0.005 4.331 4.170 0.275 0.000 0.246 59 I C 2.183 178.372 176.117 0.121 0.000 1.106 59 I CA 1.255 62.648 61.300 0.155 0.000 1.411 59 I CB -0.630 37.450 38.000 0.133 0.000 1.082 59 I HN 0.323 nan 8.210 nan 0.000 0.420 60 L N 0.572 121.828 121.223 0.055 0.000 2.046 60 L HA -0.189 4.317 4.340 0.275 0.000 0.208 60 L C 2.362 179.230 176.870 -0.003 0.000 1.077 60 L CA 1.889 56.727 54.840 -0.003 0.000 0.747 60 L CB -0.662 41.397 42.059 -0.001 0.000 0.896 60 L HN 0.128 nan 8.230 nan 0.000 0.432 61 K N -1.289 119.129 120.400 0.031 0.000 2.057 61 K HA -0.155 4.331 4.320 0.275 0.000 0.207 61 K C 2.342 178.976 176.600 0.056 0.000 1.049 61 K CA 1.464 57.772 56.287 0.035 0.000 0.931 61 K CB -0.365 32.161 32.500 0.043 0.000 0.714 61 K HN 0.335 nan 8.250 nan 0.000 0.440 62 S N 0.802 116.566 115.700 0.108 0.000 2.368 62 S HA -0.110 4.525 4.470 0.275 0.000 0.225 62 S C 1.959 176.640 174.600 0.135 0.000 1.030 62 S CA 1.114 59.430 58.200 0.194 0.000 0.999 62 S CB -0.066 63.331 63.200 0.328 0.000 0.844 62 S HN 0.173 nan 8.310 nan 0.000 0.459 63 M N 0.608 120.181 119.600 -0.045 0.000 2.149 63 M HA -0.099 4.546 4.480 0.275 0.000 0.261 63 M C 2.169 178.350 176.300 -0.198 0.000 1.064 63 M CA 1.544 56.633 55.300 -0.352 0.000 1.102 63 M CB -0.234 32.107 32.600 -0.432 0.000 1.369 63 M HN 0.105 nan 8.290 nan 0.000 0.408 64 K N 0.133 120.476 120.400 -0.094 0.000 2.209 64 K HA -0.131 4.354 4.320 0.275 0.000 0.204 64 K C 1.875 178.473 176.600 -0.003 0.000 1.048 64 K CA 1.332 57.590 56.287 -0.049 0.000 0.940 64 K CB 0.005 32.489 32.500 -0.027 0.000 0.729 64 K HN 0.285 nan 8.250 nan 0.000 0.451 65 Q N -0.555 119.263 119.800 0.030 0.000 2.269 65 Q HA 0.025 4.531 4.340 0.275 0.000 0.201 65 Q C 1.881 177.944 176.000 0.105 0.000 0.946 65 Q CA 0.637 56.484 55.803 0.074 0.000 0.877 65 Q CB -0.122 28.677 28.738 0.102 0.000 0.963 65 Q HN 0.171 nan 8.270 nan 0.000 0.472 66 V N 1.545 121.516 119.914 0.094 0.000 3.141 66 V HA -0.101 4.184 4.120 0.275 0.000 0.265 66 V C 0.931 177.130 176.094 0.175 0.000 1.126 66 V CA 0.435 62.824 62.300 0.149 0.000 1.141 66 V CB -0.273 31.564 31.823 0.023 0.000 0.743 66 V HN 0.308 nan 8.190 nan 0.000 0.492 67 E N 0.259 120.519 120.200 0.101 0.000 2.529 67 E HA -0.101 4.414 4.350 0.275 0.000 0.259 67 E C 0.845 177.461 176.600 0.027 0.000 0.966 67 E CA 0.398 56.853 56.400 0.092 0.000 0.937 67 E CB 0.490 30.212 29.700 0.036 0.000 0.923 67 E HN 0.430 nan 8.360 nan 0.000 0.468 68 K N 2.491 122.839 120.400 -0.088 0.000 2.399 68 K HA 0.090 4.575 4.320 0.275 0.000 0.196 68 K C 0.139 176.694 176.600 -0.075 0.000 1.103 68 K CA -0.102 56.098 56.287 -0.146 0.000 0.986 68 K CB 0.590 32.883 32.500 -0.346 0.000 0.952 68 K HN 0.471 nan 8.250 nan 0.000 0.541 69 H N -0.464 118.503 119.070 -0.172 0.000 2.894 69 H HA 0.112 4.833 4.556 0.275 0.000 0.367 69 H C 0.162 175.510 175.328 0.033 0.000 1.144 69 H CA -0.184 55.827 56.048 -0.061 0.000 1.180 69 H CB 2.175 31.885 29.762 -0.086 0.000 1.758 69 H HN -0.008 nan 8.280 nan 0.000 0.541 70 S N 1.770 117.449 115.700 -0.036 0.000 2.522 70 S HA -0.079 4.556 4.470 0.275 0.000 0.227 70 S C 0.626 175.255 174.600 0.048 0.000 0.986 70 S CA 0.539 58.739 58.200 -0.000 0.000 0.929 70 S CB 0.201 63.353 63.200 -0.080 0.000 0.769 70 S HN 0.503 nan 8.310 nan 0.000 0.529 71 D N 0.357 120.874 120.400 0.196 0.000 2.349 71 D HA 0.168 4.973 4.640 0.275 0.000 0.224 71 D C -0.658 175.379 176.300 -0.440 0.000 1.029 71 D CA 0.504 54.409 54.000 -0.159 0.000 0.879 71 D CB -0.019 40.649 40.800 -0.219 0.000 0.906 71 D HN 0.466 nan 8.370 nan 0.000 0.528 72 Y N 0.453 120.718 120.300 -0.057 0.000 2.485 72 Y HA 0.290 5.003 4.550 0.272 0.000 0.345 72 Y C 0.249 176.160 175.900 0.020 0.000 0.998 72 Y CA -1.146 56.946 58.100 -0.014 0.000 1.059 72 Y CB 1.542 40.015 38.460 0.022 0.000 1.234 72 Y HN -0.305 nan 8.280 nan 0.000 0.461 73 D N 1.153 121.663 120.400 0.183 0.000 2.177 73 D HA 0.403 5.208 4.640 0.275 0.000 0.247 73 D C -0.016 176.283 176.300 -0.001 0.000 1.063 73 D CA -0.163 53.842 54.000 0.008 0.000 0.867 73 D CB 2.052 42.803 40.800 -0.081 0.000 1.168 73 D HN 0.784 nan 8.370 nan 0.000 0.445 74 G N 0.898 109.547 108.800 -0.252 0.000 2.389 74 G HA2 0.518 4.643 3.960 0.275 0.000 0.328 74 G HA3 0.518 4.643 3.960 0.275 0.000 0.328 74 G C -1.345 172.993 174.900 -0.937 0.000 1.133 74 G CA -0.362 44.455 45.100 -0.471 0.000 0.891 74 G HN 0.328 nan 8.290 nan 0.000 0.485 75 Y N -0.165 119.864 120.300 -0.452 0.000 2.442 75 Y HA 0.448 5.170 4.550 0.286 0.000 0.344 75 Y C -0.493 175.156 175.900 -0.418 0.000 0.976 75 Y CA -0.840 57.028 58.100 -0.387 0.000 1.040 75 Y CB 2.065 40.414 38.460 -0.184 0.000 1.228 75 Y HN 0.402 nan 8.280 nan 0.000 0.451 76 F N 3.672 123.567 119.950 -0.091 0.000 2.456 76 F HA 0.361 5.046 4.527 0.264 0.000 0.358 76 F C -0.085 175.649 175.800 -0.110 0.000 1.095 76 F CA -0.671 57.227 58.000 -0.168 0.000 1.216 76 F CB 0.301 39.202 39.000 -0.164 0.000 1.125 76 F HN 0.179 nan 8.300 nan 0.000 0.549 77 L N 4.381 125.639 121.223 0.058 0.000 2.333 77 L HA 0.410 4.915 4.340 0.275 0.000 0.280 77 L C 0.659 177.526 176.870 -0.006 0.000 1.004 77 L CA -0.740 54.113 54.840 0.023 0.000 0.820 77 L CB 1.794 43.843 42.059 -0.017 0.000 1.247 77 L HN 0.583 nan 8.230 nan 0.000 0.416 78 V N -1.131 118.785 119.914 0.004 0.000 3.660 78 V HA 0.198 4.483 4.120 0.275 0.000 0.276 78 V C 0.750 176.835 176.094 -0.015 0.000 1.317 78 V CA 0.461 62.745 62.300 -0.028 0.000 1.097 78 V CB 0.123 31.924 31.823 -0.037 0.000 0.863 78 V HN 0.854 nan 8.190 nan 0.000 0.438 79 N N 1.599 120.308 118.700 0.015 0.000 2.538 79 N HA 0.470 5.376 4.740 0.275 0.000 0.291 79 N C 0.605 176.121 175.510 0.010 0.000 1.323 79 N CA 0.759 53.821 53.050 0.020 0.000 0.934 79 N CB 0.231 38.755 38.487 0.062 0.000 1.255 79 N HN 0.843 nan 8.380 nan 0.000 0.509 80 G N -0.379 108.414 108.800 -0.013 0.000 2.877 80 G HA2 -0.298 3.827 3.960 0.275 0.000 0.279 80 G HA3 -0.298 3.827 3.960 0.275 0.000 0.279 80 G C 0.804 175.705 174.900 0.001 0.000 1.431 80 G CA -0.058 45.048 45.100 0.010 0.000 0.883 80 G HN 0.214 nan 8.290 nan 0.000 0.547 81 T N 0.611 115.159 114.554 -0.010 0.000 2.849 81 T HA -0.118 4.397 4.350 0.275 0.000 0.270 81 T C 2.706 177.372 174.700 -0.056 0.000 1.066 81 T CA 2.478 64.545 62.100 -0.056 0.000 1.130 81 T CB -0.534 68.269 68.868 -0.108 0.000 0.864 81 T HN 0.813 nan 8.240 nan 0.000 0.481 82 T N 2.273 116.808 114.554 -0.033 0.000 2.620 82 T HA -0.215 4.301 4.350 0.275 0.000 0.267 82 T C 2.408 177.073 174.700 -0.058 0.000 1.044 82 T CA 2.055 64.152 62.100 -0.005 0.000 1.161 82 T CB -0.593 68.311 68.868 0.059 0.000 0.862 82 T HN 0.684 nan 8.240 nan 0.000 0.438 83 S N 1.026 116.706 115.700 -0.034 0.000 2.383 83 S HA 0.029 4.664 4.470 0.275 0.000 0.227 83 S C 2.392 176.953 174.600 -0.065 0.000 1.026 83 S CA 1.143 59.321 58.200 -0.036 0.000 0.981 83 S CB -1.098 62.139 63.200 0.062 0.000 0.818 83 S HN 0.554 nan 8.310 nan 0.000 0.472 84 G N 2.199 110.970 108.800 -0.050 0.000 2.446 84 G HA2 -0.112 4.014 3.960 0.275 0.000 0.217 84 G HA3 -0.112 4.014 3.960 0.275 0.000 0.217 84 G C 1.419 176.259 174.900 -0.101 0.000 1.168 84 G CA 1.058 46.125 45.100 -0.056 0.000 0.771 84 G HN 0.550 nan 8.290 nan 0.000 0.551 85 I N 0.363 120.865 120.570 -0.113 0.000 2.252 85 I HA -0.111 4.225 4.170 0.275 0.000 0.245 85 I C 2.711 178.690 176.117 -0.231 0.000 1.102 85 I CA 0.583 61.803 61.300 -0.134 0.000 1.385 85 I CB -0.185 37.759 38.000 -0.094 0.000 1.064 85 I HN 0.138 nan 8.210 nan 0.000 0.414 86 L N -0.160 120.848 121.223 -0.359 0.000 2.083 86 L HA -0.209 4.296 4.340 0.275 0.000 0.209 86 L C 2.598 179.073 176.870 -0.658 0.000 1.083 86 L CA 1.272 55.696 54.840 -0.694 0.000 0.752 86 L CB -0.543 40.746 42.059 -1.283 0.000 0.899 86 L HN 0.175 nan 8.230 nan 0.000 0.433 87 S N -0.863 114.613 115.700 -0.372 0.000 2.387 87 S HA -0.087 4.548 4.470 0.275 0.000 0.226 87 S C 2.023 176.571 174.600 -0.087 0.000 1.026 87 S CA 0.786 58.947 58.200 -0.066 0.000 0.972 87 S CB -0.027 63.223 63.200 0.083 0.000 0.814 87 S HN 0.136 nan 8.310 nan 0.000 0.477 88 V N 2.122 121.947 119.914 -0.149 0.000 2.307 88 V HA -0.108 4.177 4.120 0.275 0.000 0.245 88 V C 2.046 178.119 176.094 -0.035 0.000 1.045 88 V CA 1.510 63.695 62.300 -0.192 0.000 1.024 88 V CB -0.547 31.089 31.823 -0.312 0.000 0.651 88 V HN 0.437 nan 8.190 nan 0.000 0.449 89 I N -0.347 120.172 120.570 -0.084 0.000 2.315 89 I HA -0.244 4.092 4.170 0.275 0.000 0.248 89 I C 2.581 178.685 176.117 -0.021 0.000 1.117 89 I CA 1.276 62.560 61.300 -0.027 0.000 1.404 89 I CB -0.283 37.634 38.000 -0.139 0.000 1.071 89 I HN 0.329 nan 8.210 nan 0.000 0.419 90 Q N 1.101 120.792 119.800 -0.182 0.000 2.170 90 Q HA -0.204 4.302 4.340 0.275 0.000 0.203 90 Q C 2.252 178.093 176.000 -0.265 0.000 0.976 90 Q CA 2.072 57.688 55.803 -0.313 0.000 0.858 90 Q CB -0.194 28.175 28.738 -0.616 0.000 0.907 90 Q HN 0.567 nan 8.270 nan 0.000 0.433 91 S N -1.304 114.311 115.700 -0.142 0.000 2.507 91 S HA -0.080 4.556 4.470 0.275 0.000 0.235 91 S C 1.166 175.494 174.600 -0.454 0.000 0.988 91 S CA 0.569 58.687 58.200 -0.137 0.000 0.944 91 S CB -0.401 62.721 63.200 -0.130 0.000 0.762 91 S HN 0.406 nan 8.310 nan 0.000 0.526 92 F N 2.394 122.227 119.950 -0.195 0.000 2.765 92 F HA 0.236 4.925 4.527 0.269 0.000 0.302 92 F C 2.541 178.241 175.800 -0.166 0.000 1.111 92 F CA 0.176 58.058 58.000 -0.197 0.000 1.359 92 F CB -0.142 38.810 39.000 -0.080 0.000 1.097 92 F HN 0.358 nan 8.300 nan 0.000 0.577 93 S N -0.258 115.429 115.700 -0.022 0.000 2.383 93 S HA -0.206 4.430 4.470 0.275 0.000 0.229 93 S C 1.668 176.251 174.600 -0.029 0.000 1.030 93 S CA 1.101 59.290 58.200 -0.018 0.000 1.002 93 S CB -0.255 62.926 63.200 -0.032 0.000 0.829 93 S HN 0.332 nan 8.310 nan 0.000 0.467 94 Q N 0.824 120.581 119.800 -0.071 0.000 2.320 94 Q HA 0.306 4.811 4.340 0.275 0.000 0.201 94 Q C -0.297 175.667 176.000 -0.060 0.000 0.910 94 Q CA 0.347 56.114 55.803 -0.060 0.000 0.946 94 Q CB 0.164 28.863 28.738 -0.065 0.000 1.062 94 Q HN 0.508 nan 8.270 nan 0.000 0.503 95 K N 1.107 121.470 120.400 -0.062 0.000 2.118 95 K HA 0.268 4.754 4.320 0.275 0.000 0.267 95 K C 0.404 177.015 176.600 0.019 0.000 0.991 95 K CA -0.554 55.726 56.287 -0.012 0.000 0.916 95 K CB 1.358 33.877 32.500 0.031 0.000 1.041 95 K HN -0.185 nan 8.250 nan 0.000 0.455 96 K N 0.902 121.320 120.400 0.029 0.000 2.355 96 K HA 0.298 4.784 4.320 0.275 0.000 0.270 96 K C 0.601 177.181 176.600 -0.034 0.000 1.003 96 K CA 0.705 57.007 56.287 0.025 0.000 0.957 96 K CB 0.545 33.079 32.500 0.057 0.000 0.939 96 K HN 0.879 nan 8.250 nan 0.000 0.482 97 G N 1.983 110.741 108.800 -0.070 0.000 2.498 97 G HA2 -0.138 3.987 3.960 0.275 0.000 0.651 97 G HA3 -0.138 3.987 3.960 0.275 0.000 0.651 97 G C -1.410 173.331 174.900 -0.265 0.000 1.284 97 G CA -0.316 44.564 45.100 -0.368 0.000 0.950 97 G HN 0.681 nan 8.290 nan 0.000 0.511 98 D N -1.255 118.931 120.400 -0.356 0.000 2.450 98 D HA 0.683 5.488 4.640 0.275 0.000 0.238 98 D C -0.001 176.198 176.300 -0.167 0.000 1.020 98 D CA -1.021 52.904 54.000 -0.124 0.000 1.010 98 D CB 1.225 42.042 40.800 0.029 0.000 1.342 98 D HN 0.704 nan 8.370 nan 0.000 0.530 99 I N 0.749 121.234 120.570 -0.142 0.000 2.330 99 I HA 0.177 4.512 4.170 0.275 0.000 0.289 99 I C -0.415 175.594 176.117 -0.180 0.000 1.001 99 I CA -0.941 60.238 61.300 -0.201 0.000 1.193 99 I CB 1.024 38.878 38.000 -0.243 0.000 1.345 99 I HN 0.120 nan 8.210 nan 0.000 0.461 100 L N 7.521 128.662 121.223 -0.135 0.000 2.417 100 L HA 0.424 4.930 4.340 0.275 0.000 0.268 100 L C -0.013 176.763 176.870 -0.157 0.000 1.158 100 L CA 0.716 55.498 54.840 -0.098 0.000 0.819 100 L CB 0.579 42.623 42.059 -0.025 0.000 1.112 100 L HN 0.529 nan 8.230 nan 0.000 0.458 101 M N 1.837 121.335 119.600 -0.170 0.000 2.371 101 M HA 0.534 5.179 4.480 0.275 0.000 0.287 101 M C -0.607 175.682 176.300 -0.019 0.000 1.149 101 M CA -0.546 54.648 55.300 -0.178 0.000 0.929 101 M CB 2.119 34.456 32.600 -0.438 0.000 1.683 101 M HN 0.652 nan 8.290 nan 0.000 0.470 102 A N 1.882 124.702 122.820 0.001 0.000 2.366 102 A HA 0.383 4.869 4.320 0.275 0.000 0.249 102 A C 0.733 178.343 177.584 0.044 0.000 1.084 102 A CA -0.094 51.942 52.037 -0.001 0.000 0.794 102 A CB 0.402 19.390 19.000 -0.020 0.000 1.034 102 A HN 1.004 nan 8.150 nan 0.000 0.491 103 R N 0.464 120.878 120.500 -0.145 0.000 2.280 103 R HA -0.076 4.429 4.340 0.275 0.000 0.207 103 R C 0.179 176.343 176.300 -0.227 0.000 1.043 103 R CA 1.069 56.997 56.100 -0.287 0.000 1.006 103 R CB -0.036 29.797 30.300 -0.780 0.000 0.885 103 R HN 0.838 nan 8.270 nan 0.000 0.467 104 N N 0.095 118.697 118.700 -0.163 0.000 2.380 104 N HA -0.007 4.899 4.740 0.275 0.000 0.255 104 N C 0.099 175.681 175.510 0.119 0.000 1.158 104 N CA -0.256 52.839 53.050 0.075 0.000 0.878 104 N CB 0.057 38.655 38.487 0.185 0.000 1.138 104 N HN -0.105 nan 8.380 nan 0.000 0.509 105 V N -1.600 118.347 119.914 0.054 0.000 2.843 105 V HA 0.131 4.417 4.120 0.275 0.000 0.305 105 V C 0.922 177.053 176.094 0.062 0.000 1.065 105 V CA -0.750 61.567 62.300 0.029 0.000 1.116 105 V CB 0.394 32.168 31.823 -0.082 0.000 0.968 105 V HN 0.404 nan 8.190 nan 0.000 0.487 106 H N 3.847 122.906 119.070 -0.019 0.000 2.690 106 H HA 0.152 4.870 4.556 0.270 0.000 0.365 106 H C 1.322 176.580 175.328 -0.116 0.000 1.142 106 H CA 0.341 56.381 56.048 -0.013 0.000 1.417 106 H CB 1.319 31.075 29.762 -0.010 0.000 1.446 106 H HN 0.950 nan 8.280 nan 0.000 0.599 107 K N 1.241 121.260 120.400 -0.635 0.000 2.218 107 K HA -0.190 4.295 4.320 0.275 0.000 0.205 107 K C 1.880 177.977 176.600 -0.839 0.000 1.046 107 K CA 1.798 57.688 56.287 -0.662 0.000 0.933 107 K CB -0.179 31.949 32.500 -0.620 0.000 0.728 107 K HN 0.511 nan 8.250 nan 0.000 0.454 108 S N 1.196 116.598 115.700 -0.497 0.000 2.383 108 S HA -0.136 4.499 4.470 0.275 0.000 0.229 108 S C 2.101 176.600 174.600 -0.169 0.000 1.030 108 S CA 1.289 59.379 58.200 -0.183 0.000 1.002 108 S CB -0.814 62.472 63.200 0.143 0.000 0.829 108 S HN 0.180 nan 8.310 nan 0.000 0.467 109 V N 2.078 121.888 119.914 -0.173 0.000 2.427 109 V HA -0.069 4.217 4.120 0.275 0.000 0.248 109 V C 2.497 178.434 176.094 -0.261 0.000 1.051 109 V CA 1.639 63.819 62.300 -0.200 0.000 1.048 109 V CB -0.808 30.899 31.823 -0.193 0.000 0.666 109 V HN 0.490 nan 8.190 nan 0.000 0.456 110 L N -0.989 120.051 121.223 -0.305 0.000 2.179 110 L HA -0.081 4.424 4.340 0.275 0.000 0.208 110 L C 2.449 179.312 176.870 -0.013 0.000 1.096 110 L CA 1.350 56.031 54.840 -0.266 0.000 0.779 110 L CB -0.777 41.151 42.059 -0.218 0.000 0.922 110 L HN 0.452 nan 8.230 nan 0.000 0.443 111 H N -0.227 118.799 119.070 -0.074 0.000 2.389 111 H HA -0.090 4.627 4.556 0.269 0.000 0.299 111 H C 2.383 177.670 175.328 -0.068 0.000 1.081 111 H CA 0.707 56.731 56.048 -0.039 0.000 1.345 111 H CB 0.179 29.921 29.762 -0.034 0.000 1.393 111 H HN 0.380 nan 8.280 nan 0.000 0.520 112 A N 1.080 123.893 122.820 -0.012 0.000 1.877 112 A HA -0.145 4.340 4.320 0.275 0.000 0.216 112 A C 2.212 179.756 177.584 -0.067 0.000 1.186 112 A CA 1.260 53.238 52.037 -0.098 0.000 0.620 112 A CB -0.598 18.296 19.000 -0.176 0.000 0.822 112 A HN 0.183 nan 8.150 nan 0.000 0.443 113 L N 0.112 121.283 121.223 -0.087 0.000 2.083 113 L HA -0.162 4.344 4.340 0.275 0.000 0.209 113 L C 2.268 179.186 176.870 0.079 0.000 1.083 113 L CA 1.987 56.801 54.840 -0.043 0.000 0.752 113 L CB -0.495 41.462 42.059 -0.169 0.000 0.899 113 L HN 0.461 nan 8.230 nan 0.000 0.433 114 D N 0.140 120.607 120.400 0.112 0.000 2.077 114 D HA -0.177 4.628 4.640 0.275 0.000 0.196 114 D C 2.224 178.569 176.300 0.075 0.000 0.986 114 D CA 1.722 55.803 54.000 0.136 0.000 0.829 114 D CB 0.056 40.944 40.800 0.148 0.000 0.983 114 D HN 0.430 nan 8.370 nan 0.000 0.453 115 I N -0.326 120.279 120.570 0.058 0.000 2.493 115 I HA -0.130 4.206 4.170 0.275 0.000 0.254 115 I C 1.913 178.059 176.117 0.048 0.000 1.160 115 I CA 1.549 62.880 61.300 0.053 0.000 1.445 115 I CB -0.299 37.746 38.000 0.075 0.000 1.086 115 I HN -0.051 nan 8.210 nan 0.000 0.433 116 S N -0.544 115.174 115.700 0.030 0.000 2.517 116 S HA 0.072 4.707 4.470 0.275 0.000 0.214 116 S C 0.794 175.407 174.600 0.020 0.000 0.991 116 S CA -0.279 57.929 58.200 0.014 0.000 0.906 116 S CB -0.113 63.073 63.200 -0.023 0.000 0.789 116 S HN 0.587 nan 8.310 nan 0.000 0.513 117 Q N 0.761 120.584 119.800 0.038 0.000 2.456 117 Q HA -0.138 4.367 4.340 0.275 0.000 0.325 117 Q C -0.948 175.078 176.000 0.043 0.000 1.453 117 Q CA 0.799 56.629 55.803 0.044 0.000 0.848 117 Q CB -2.039 26.716 28.738 0.029 0.000 1.123 117 Q HN 0.810 nan 8.270 nan 0.000 0.374 118 Q N -0.094 119.742 119.800 0.060 0.000 2.365 118 Q HA 0.430 4.936 4.340 0.275 0.000 0.269 118 Q C -0.219 175.832 176.000 0.085 0.000 1.061 118 Q CA -0.583 55.245 55.803 0.043 0.000 0.816 118 Q CB 1.971 30.710 28.738 0.002 0.000 1.325 118 Q HN 0.240 nan 8.270 nan 0.000 0.446 119 E N 0.486 120.721 120.200 0.059 0.000 2.392 119 E HA 0.336 4.851 4.350 0.275 0.000 0.264 119 E C -0.630 176.013 176.600 0.070 0.000 1.024 119 E CA -0.007 56.444 56.400 0.085 0.000 0.903 119 E CB 0.713 30.449 29.700 0.060 0.000 0.963 119 E HN 0.732 nan 8.360 nan 0.000 0.432 120 G N 2.144 111.025 108.800 0.134 0.000 2.733 120 G HA2 0.360 4.485 3.960 0.275 0.000 0.288 120 G HA3 0.360 4.485 3.960 0.275 0.000 0.288 120 G C -1.633 173.276 174.900 0.016 0.000 1.373 120 G CA -0.295 44.790 45.100 -0.026 0.000 0.895 120 G HN 0.566 nan 8.290 nan 0.000 0.479 121 H N -0.154 118.742 119.070 -0.291 0.000 3.154 121 H HA 0.274 4.995 4.556 0.275 0.000 0.330 121 H C -1.435 173.706 175.328 -0.312 0.000 1.033 121 H CA -0.473 55.456 56.048 -0.198 0.000 1.393 121 H CB 1.294 31.025 29.762 -0.051 0.000 1.951 121 H HN 0.266 nan 8.280 nan 0.000 0.466 122 F N 4.608 124.401 119.950 -0.261 0.000 2.412 122 F HA 0.285 4.977 4.527 0.275 0.000 0.348 122 F C 1.092 176.827 175.800 -0.107 0.000 1.102 122 F CA -0.232 57.668 58.000 -0.167 0.000 1.196 122 F CB 0.559 39.471 39.000 -0.147 0.000 1.144 122 F HN 0.275 nan 8.300 nan 0.000 0.541 123 I N 1.494 122.138 120.570 0.123 0.000 2.612 123 I HA 0.117 4.452 4.170 0.275 0.000 0.295 123 I C 0.397 176.518 176.117 0.006 0.000 1.011 123 I CA -0.781 60.568 61.300 0.081 0.000 1.326 123 I CB 0.882 38.904 38.000 0.038 0.000 1.427 123 I HN 0.558 nan 8.210 nan 0.000 0.537 124 E N 2.816 123.005 120.200 -0.018 0.000 2.585 124 E HA 0.010 4.526 4.350 0.275 0.000 0.252 124 E C -1.069 175.375 176.600 -0.261 0.000 0.981 124 E CA 0.553 56.874 56.400 -0.133 0.000 0.943 124 E CB 0.404 30.050 29.700 -0.090 0.000 0.923 124 E HN 0.466 nan 8.360 nan 0.000 0.486 125 T N 5.045 119.400 114.554 -0.331 0.000 2.841 125 T HA 0.294 4.809 4.350 0.275 0.000 0.285 125 T C -0.893 173.713 174.700 -0.156 0.000 0.991 125 T CA -0.834 61.113 62.100 -0.255 0.000 0.966 125 T CB 0.712 69.410 68.868 -0.283 0.000 0.962 125 T HN 0.369 nan 8.240 nan 0.000 0.438 126 H N 1.591 120.748 119.070 0.146 0.000 2.595 126 H HA 0.446 5.167 4.556 0.276 0.000 0.346 126 H C -0.152 175.251 175.328 0.125 0.000 1.181 126 H CA -0.672 55.451 56.048 0.125 0.000 1.242 126 H CB 1.810 31.598 29.762 0.042 0.000 1.652 126 H HN 0.543 nan 8.280 nan 0.000 0.548 127 Q N 0.974 120.867 119.800 0.155 0.000 2.241 127 Q HA 0.273 4.778 4.340 0.275 0.000 0.254 127 Q C -0.411 175.585 176.000 -0.006 0.000 0.917 127 Q CA -0.633 55.154 55.803 -0.027 0.000 0.919 127 Q CB 1.301 29.956 28.738 -0.138 0.000 1.237 127 Q HN 0.563 nan 8.270 nan 0.000 0.434 128 S N 3.453 119.135 115.700 -0.030 0.000 2.549 128 S HA 0.182 4.817 4.470 0.275 0.000 0.283 128 S C -1.841 172.713 174.600 -0.078 0.000 1.320 128 S CA -1.256 56.929 58.200 -0.026 0.000 1.058 128 S CB 0.629 63.817 63.200 -0.020 0.000 0.882 128 S HN 0.626 nan 8.310 nan 0.000 0.498 129 P HA 0.061 nan 4.420 nan 0.000 0.236 129 P C 1.081 178.325 177.300 -0.094 0.000 1.177 129 P CA 0.095 63.149 63.100 -0.077 0.000 0.773 129 P CB 0.164 31.837 31.700 -0.045 0.000 0.878 130 L N 0.151 121.329 121.223 -0.076 0.000 2.130 130 L HA 0.045 4.550 4.340 0.275 0.000 0.200 130 L C 1.956 178.748 176.870 -0.130 0.000 1.075 130 L CA 2.409 57.207 54.840 -0.070 0.000 0.768 130 L CB -1.443 40.605 42.059 -0.018 0.000 0.933 130 L HN -0.014 nan 8.230 nan 0.000 0.451 131 T N -4.489 109.974 114.554 -0.151 0.000 3.022 131 T HA 0.171 4.687 4.350 0.275 0.000 0.250 131 T C 0.723 175.220 174.700 -0.339 0.000 1.060 131 T CA 0.477 62.443 62.100 -0.223 0.000 1.013 131 T CB -0.582 68.140 68.868 -0.244 0.000 0.982 131 T HN 0.493 nan 8.240 nan 0.000 0.508 132 N N 0.505 118.987 118.700 -0.362 0.000 2.753 132 N HA -0.177 4.729 4.740 0.275 0.000 0.251 132 N C -0.421 174.818 175.510 -0.452 0.000 1.097 132 N CA 0.924 53.703 53.050 -0.452 0.000 0.786 132 N CB -1.559 36.429 38.487 -0.832 0.000 1.137 132 N HN 0.618 nan 8.380 nan 0.000 0.566 133 H N -0.882 117.994 119.070 -0.323 0.000 2.710 133 H HA 0.257 4.978 4.556 0.275 0.000 0.361 133 H C -0.127 175.088 175.328 -0.188 0.000 1.175 133 H CA -0.621 55.257 56.048 -0.284 0.000 1.206 133 H CB 0.619 30.189 29.762 -0.320 0.000 1.750 133 H HN -0.041 nan 8.280 nan 0.000 0.553 134 Y N 2.297 122.659 120.300 0.103 0.000 2.717 134 Y HA -0.113 4.602 4.550 0.276 0.000 0.330 134 Y C 1.701 177.659 175.900 0.097 0.000 1.217 134 Y CA 0.412 58.557 58.100 0.075 0.000 1.506 134 Y CB 0.242 38.747 38.460 0.076 0.000 1.268 134 Y HN 0.592 nan 8.280 nan 0.000 0.561 135 N N 1.515 120.351 118.700 0.227 0.000 2.082 135 N HA 0.074 4.980 4.740 0.275 0.000 0.228 135 N C -0.789 174.773 175.510 0.086 0.000 1.341 135 N CA -0.231 52.935 53.050 0.192 0.000 0.873 135 N CB 0.786 39.377 38.487 0.175 0.000 1.137 135 N HN 0.701 nan 8.380 nan 0.000 0.505 136 K N -0.536 119.810 120.400 -0.090 0.000 2.642 136 K HA 0.521 5.006 4.320 0.275 0.000 0.290 136 K C -1.375 175.027 176.600 -0.330 0.000 1.006 136 K CA -0.886 55.109 56.287 -0.487 0.000 0.869 136 K CB 1.945 34.352 32.500 -0.155 0.000 1.499 136 K HN -0.102 nan 8.250 nan 0.000 0.403 137 V N -1.262 118.389 119.914 -0.439 0.000 2.960 137 V HA 0.682 4.967 4.120 0.275 0.000 0.315 137 V C -1.395 174.682 176.094 -0.028 0.000 1.087 137 V CA -0.729 61.463 62.300 -0.180 0.000 0.982 137 V CB 1.814 33.532 31.823 -0.174 0.000 1.039 137 V HN 0.887 nan 8.190 nan 0.000 0.437 138 N N 1.871 120.591 118.700 0.033 0.000 2.399 138 N HA 0.601 5.506 4.740 0.275 0.000 0.284 138 N C -0.705 174.836 175.510 0.051 0.000 1.025 138 N CA -0.560 52.539 53.050 0.082 0.000 0.885 138 N CB 1.421 40.016 38.487 0.180 0.000 1.339 138 N HN 0.910 nan 8.380 nan 0.000 0.487 148 K N 0.878 121.106 120.400 -0.287 0.000 2.352 148 K HA 0.391 4.876 4.320 0.275 0.000 0.194 148 K C 0.110 176.611 176.600 -0.165 0.000 1.038 148 K CA 0.189 56.405 56.287 -0.118 0.000 1.023 148 K CB 1.059 33.525 32.500 -0.056 0.000 0.840 148 K HN 0.044 nan 8.250 nan 0.000 0.519 149 L N 0.499 121.551 121.223 -0.286 0.000 2.612 149 L HA 0.359 4.865 4.340 0.275 0.000 0.256 149 L C -2.024 174.710 176.870 -0.226 0.000 0.949 149 L CA -0.734 53.869 54.840 -0.396 0.000 0.867 149 L CB 2.489 43.989 42.059 -0.932 0.000 1.417 149 L HN -0.104 nan 8.230 nan 0.000 0.414 150 V N 3.434 123.261 119.914 -0.145 0.000 2.604 150 V HA 0.747 5.032 4.120 0.275 0.000 0.305 150 V C -0.816 175.237 176.094 -0.069 0.000 1.043 150 V CA -0.764 61.481 62.300 -0.091 0.000 0.888 150 V CB 1.925 33.720 31.823 -0.046 0.000 0.995 150 V HN 0.504 nan 8.190 nan 0.000 0.429 151 V N 5.799 125.668 119.914 -0.075 0.000 2.448 151 V HA 0.610 4.895 4.120 0.275 0.000 0.295 151 V C -0.427 175.671 176.094 0.008 0.000 1.025 151 V CA -0.446 61.831 62.300 -0.039 0.000 0.859 151 V CB 1.547 33.315 31.823 -0.092 0.000 0.988 151 V HN 0.672 nan 8.190 nan 0.000 0.431 152 L N 3.066 124.332 121.223 0.072 0.000 2.388 152 L HA 0.648 5.154 4.340 0.275 0.000 0.264 152 L C -0.028 176.957 176.870 0.190 0.000 0.998 152 L CA -0.511 54.418 54.840 0.148 0.000 0.817 152 L CB 2.687 44.887 42.059 0.235 0.000 1.338 152 L HN 0.524 nan 8.230 nan 0.000 0.414 153 T N 0.854 115.548 114.554 0.232 0.000 2.806 153 T HA 0.471 4.986 4.350 0.275 0.000 0.290 153 T C -1.265 173.685 174.700 0.416 0.000 0.966 153 T CA -0.164 62.087 62.100 0.252 0.000 1.060 153 T CB 0.629 69.622 68.868 0.209 0.000 0.927 153 T HN 0.423 nan 8.240 nan 0.000 0.485 154 Y N 4.996 125.398 120.300 0.170 0.000 2.313 154 Y HA 0.344 5.058 4.550 0.274 0.000 0.320 154 Y C -2.777 173.136 175.900 0.021 0.000 1.171 154 Y CA -2.067 56.119 58.100 0.143 0.000 1.093 154 Y CB 1.810 40.304 38.460 0.057 0.000 1.224 154 Y HN 0.418 nan 8.280 nan 0.000 0.421 155 P HA 0.082 nan 4.420 nan 0.000 0.275 155 P C -0.589 176.729 177.300 0.029 0.000 1.270 155 P CA -0.148 62.789 63.100 -0.271 0.000 0.791 155 P CB 0.957 32.588 31.700 -0.116 0.000 1.089 156 N N -0.879 117.903 118.700 0.137 0.000 2.294 156 N HA -0.094 4.812 4.740 0.275 0.000 0.248 156 N C 1.056 176.617 175.510 0.086 0.000 1.300 156 N CA -0.049 53.111 53.050 0.184 0.000 0.925 156 N CB -0.924 37.719 38.487 0.260 0.000 1.188 156 N HN 0.311 nan 8.380 nan 0.000 0.512 157 Y N -0.449 119.828 120.300 -0.039 0.000 2.151 157 Y HA -0.196 4.520 4.550 0.277 0.000 0.284 157 Y C 0.978 176.631 175.900 -0.410 0.000 1.166 157 Y CA 1.749 59.616 58.100 -0.388 0.000 1.163 157 Y CB -0.429 37.893 38.460 -0.230 0.000 0.974 157 Y HN 0.582 nan 8.280 nan 0.000 0.511 158 Y N -0.259 120.039 120.300 -0.003 0.000 2.477 158 Y HA 0.249 4.964 4.550 0.275 0.000 0.303 158 Y C 1.762 177.680 175.900 0.030 0.000 1.202 158 Y CA 0.305 58.396 58.100 -0.016 0.000 1.282 158 Y CB -0.271 38.153 38.460 -0.060 0.000 1.071 158 Y HN 0.202 nan 8.280 nan 0.000 0.510 159 G N 0.448 109.332 108.800 0.140 0.000 2.176 159 G HA2 -0.282 3.843 3.960 0.275 0.000 0.252 159 G HA3 -0.282 3.843 3.960 0.275 0.000 0.252 159 G C -0.095 174.917 174.900 0.186 0.000 1.024 159 G CA -0.066 45.142 45.100 0.179 0.000 0.755 159 G HN 0.441 nan 8.290 nan 0.000 0.507 160 E N 0.596 120.898 120.200 0.169 0.000 2.266 160 E HA 0.557 5.072 4.350 0.275 0.000 0.277 160 E C 0.786 177.473 176.600 0.144 0.000 1.018 160 E CA 0.110 56.607 56.400 0.161 0.000 0.840 160 E CB 1.136 30.940 29.700 0.173 0.000 1.082 160 E HN 0.416 nan 8.360 nan 0.000 0.395 161 T N -0.693 113.943 114.554 0.137 0.000 2.938 161 T HA 0.746 5.262 4.350 0.275 0.000 0.285 161 T C -0.432 174.474 174.700 0.343 0.000 1.028 161 T CA -0.786 61.384 62.100 0.116 0.000 1.005 161 T CB 0.750 69.651 68.868 0.055 0.000 1.157 161 T HN 0.461 nan 8.240 nan 0.000 0.550 162 F N -1.697 118.454 119.950 0.334 0.000 2.789 162 F HA 0.607 5.298 4.527 0.274 0.000 0.319 162 F C -0.526 175.405 175.800 0.218 0.000 1.168 162 F CA -1.481 56.658 58.000 0.233 0.000 0.934 162 F CB 0.767 39.890 39.000 0.205 0.000 1.375 162 F HN 0.470 nan 8.300 nan 0.000 0.480 163 N N 1.527 120.418 118.700 0.318 0.000 2.971 163 N HA 0.071 4.977 4.740 0.275 0.000 0.294 163 N C 0.742 176.271 175.510 0.032 0.000 1.210 163 N CA 0.190 53.291 53.050 0.086 0.000 1.157 163 N CB 0.659 39.201 38.487 0.092 0.000 1.450 163 N HN 0.696 nan 8.380 nan 0.000 0.527 164 V N 1.824 121.541 119.914 -0.328 0.000 2.548 164 V HA -0.123 4.163 4.120 0.275 0.000 0.249 164 V C 2.098 178.025 176.094 -0.279 0.000 1.055 164 V CA 1.726 63.816 62.300 -0.351 0.000 1.065 164 V CB -0.221 31.051 31.823 -0.918 0.000 0.681 164 V HN 0.615 nan 8.190 nan 0.000 0.462 165 E N -0.158 119.722 120.200 -0.533 0.000 2.070 165 E HA -0.344 4.172 4.350 0.275 0.000 0.197 165 E C 2.114 178.530 176.600 -0.308 0.000 1.004 165 E CA 2.062 58.057 56.400 -0.676 0.000 0.805 165 E CB -0.150 28.782 29.700 -1.280 0.000 0.744 165 E HN 0.720 nan 8.360 nan 0.000 0.451 166 E N -0.156 119.914 120.200 -0.217 0.000 2.072 166 E HA -0.138 4.378 4.350 0.275 0.000 0.191 166 E C 2.014 178.577 176.600 -0.061 0.000 0.985 166 E CA 1.220 57.556 56.400 -0.107 0.000 0.801 166 E CB -0.123 29.541 29.700 -0.060 0.000 0.750 166 E HN 0.164 nan 8.360 nan 0.000 0.452 167 V N 0.674 120.575 119.914 -0.022 0.000 2.287 167 V HA -0.289 3.996 4.120 0.275 0.000 0.248 167 V C 2.346 178.397 176.094 -0.071 0.000 1.053 167 V CA 1.981 64.284 62.300 0.005 0.000 1.027 167 V CB -0.459 31.431 31.823 0.112 0.000 0.646 167 V HN 0.329 nan 8.190 nan 0.000 0.447 168 I N -0.660 119.838 120.570 -0.120 0.000 2.163 168 I HA -0.284 4.051 4.170 0.275 0.000 0.243 168 I C 2.593 178.520 176.117 -0.318 0.000 1.085 168 I CA 1.725 62.876 61.300 -0.248 0.000 1.347 168 I CB -0.421 37.467 38.000 -0.186 0.000 1.044 168 I HN 0.269 nan 8.210 nan 0.000 0.408 169 K N 0.378 120.690 120.400 -0.147 0.000 2.009 169 K HA -0.161 4.324 4.320 0.275 0.000 0.210 169 K C 2.312 178.889 176.600 -0.039 0.000 1.049 169 K CA 1.946 58.202 56.287 -0.052 0.000 0.929 169 K CB -0.267 32.213 32.500 -0.033 0.000 0.714 169 K HN 0.205 nan 8.250 nan 0.000 0.440 170 S N 1.616 117.287 115.700 -0.048 0.000 2.365 170 S HA -0.142 4.494 4.470 0.275 0.000 0.225 170 S C 1.987 176.573 174.600 -0.023 0.000 1.039 170 S CA 1.269 59.454 58.200 -0.024 0.000 1.033 170 S CB -0.305 62.885 63.200 -0.017 0.000 0.887 170 S HN 0.197 nan 8.310 nan 0.000 0.447 171 L N 0.233 121.414 121.223 -0.070 0.000 2.141 171 L HA -0.097 4.408 4.340 0.275 0.000 0.209 171 L C 2.280 179.152 176.870 0.002 0.000 1.094 171 L CA 1.260 56.064 54.840 -0.059 0.000 0.763 171 L CB -0.619 41.375 42.059 -0.110 0.000 0.908 171 L HN 0.432 nan 8.230 nan 0.000 0.437 172 H N -1.217 117.840 119.070 -0.022 0.000 2.423 172 H HA -0.114 4.606 4.556 0.274 0.000 0.297 172 H C 2.146 177.460 175.328 -0.023 0.000 1.075 172 H CA 0.439 56.467 56.048 -0.034 0.000 1.342 172 H CB 0.294 30.022 29.762 -0.056 0.000 1.395 172 H HN 0.256 nan 8.280 nan 0.000 0.530 173 Q N 0.553 120.414 119.800 0.102 0.000 2.364 173 Q HA -0.072 4.433 4.340 0.275 0.000 0.207 173 Q C 1.496 177.520 176.000 0.040 0.000 0.970 173 Q CA 0.844 56.678 55.803 0.052 0.000 0.888 173 Q CB 0.239 28.996 28.738 0.032 0.000 0.951 173 Q HN 0.547 nan 8.270 nan 0.000 0.469 174 L N -0.279 120.972 121.223 0.046 0.000 2.628 174 L HA 0.099 4.604 4.340 0.275 0.000 0.229 174 L C -0.293 176.611 176.870 0.058 0.000 1.137 174 L CA -0.074 54.791 54.840 0.041 0.000 0.909 174 L CB -0.072 42.007 42.059 0.032 0.000 1.137 174 L HN 0.190 nan 8.230 nan 0.000 0.470 175 N N -0.187 118.555 118.700 0.070 0.000 2.776 175 N HA -0.190 4.715 4.740 0.275 0.000 0.250 175 N C -0.442 175.126 175.510 0.097 0.000 1.112 175 N CA 0.476 53.568 53.050 0.070 0.000 0.733 175 N CB -1.350 37.165 38.487 0.046 0.000 1.097 175 N HN 0.269 nan 8.380 nan 0.000 0.558 176 I N 1.014 121.653 120.570 0.115 0.000 2.321 176 I HA 0.367 4.702 4.170 0.275 0.000 0.291 176 I C -1.908 174.298 176.117 0.148 0.000 0.998 176 I CA -1.943 59.420 61.300 0.105 0.000 1.227 176 I CB 1.062 39.096 38.000 0.058 0.000 1.368 176 I HN -0.166 nan 8.210 nan 0.000 0.466 177 P HA 0.266 nan 4.420 nan 0.000 0.276 177 P C -0.846 176.507 177.300 0.088 0.000 1.244 177 P CA -0.289 62.912 63.100 0.167 0.000 0.801 177 P CB 1.680 33.513 31.700 0.221 0.000 1.006 178 V N 2.073 122.024 119.914 0.061 0.000 2.735 178 V HA 0.325 4.610 4.120 0.275 0.000 0.310 178 V C -0.143 176.045 176.094 0.157 0.000 1.061 178 V CA -0.812 61.513 62.300 0.042 0.000 0.913 178 V CB 1.849 33.642 31.823 -0.050 0.000 1.005 178 V HN 0.412 nan 8.190 nan 0.000 0.428 179 L N 5.828 127.171 121.223 0.200 0.000 2.287 179 L HA 0.627 5.132 4.340 0.275 0.000 0.287 179 L C -0.755 176.203 176.870 0.147 0.000 1.022 179 L CA 0.044 55.049 54.840 0.275 0.000 0.814 179 L CB 1.065 43.242 42.059 0.197 0.000 1.217 179 L HN 0.429 nan 8.230 nan 0.000 0.420 180 I N 4.539 125.199 120.570 0.150 0.000 2.312 180 I HA 0.214 4.550 4.170 0.275 0.000 0.290 180 I C -0.043 176.141 176.117 0.111 0.000 1.008 180 I CA -0.316 61.057 61.300 0.122 0.000 1.226 180 I CB 1.000 39.056 38.000 0.094 0.000 1.371 180 I HN 0.618 nan 8.210 nan 0.000 0.468 181 D N 6.245 126.704 120.400 0.099 0.000 2.383 181 D HA -0.014 4.791 4.640 0.275 0.000 0.245 181 D C 0.518 176.849 176.300 0.052 0.000 1.263 181 D CA 0.285 54.318 54.000 0.055 0.000 0.936 181 D CB 0.337 41.163 40.800 0.044 0.000 1.053 181 D HN 0.525 nan 8.370 nan 0.000 0.507 182 E N 2.394 122.605 120.200 0.018 0.000 2.405 182 E HA 0.222 4.738 4.350 0.275 0.000 0.214 182 E C 1.286 177.800 176.600 -0.143 0.000 1.101 182 E CA -0.287 56.093 56.400 -0.034 0.000 1.254 182 E CB 0.143 29.839 29.700 -0.007 0.000 1.240 182 E HN 0.552 nan 8.360 nan 0.000 0.439 183 A N 0.396 123.116 122.820 -0.166 0.000 1.986 183 A HA -0.181 4.304 4.320 0.275 0.000 0.220 183 A C 1.420 178.709 177.584 -0.492 0.000 1.171 183 A CA 1.164 53.011 52.037 -0.317 0.000 0.640 183 A CB -0.222 18.549 19.000 -0.381 0.000 0.811 183 A HN 0.449 nan 8.150 nan 0.000 0.451 184 H N -1.605 117.278 119.070 -0.312 0.000 2.488 184 H HA 0.319 5.042 4.556 0.278 0.000 0.294 184 H C 0.995 175.992 175.328 -0.552 0.000 1.088 184 H CA 0.617 56.466 56.048 -0.332 0.000 1.086 184 H CB 0.169 29.755 29.762 -0.292 0.000 1.569 184 H HN 0.454 nan 8.280 nan 0.000 0.548 185 G N -0.305 108.090 108.800 -0.674 0.000 4.238 185 G HA2 0.270 4.395 3.960 0.275 0.000 0.292 185 G HA3 0.270 4.395 3.960 0.275 0.000 0.292 185 G C 1.272 175.754 174.900 -0.696 0.000 1.036 185 G CA 0.359 44.619 45.100 -1.400 0.000 0.812 185 G HN 0.279 nan 8.290 nan 0.000 0.489 186 A N 0.945 123.556 122.820 -0.348 0.000 2.066 186 A HA -0.010 4.476 4.320 0.275 0.000 0.218 186 A C 1.955 179.457 177.584 -0.137 0.000 1.157 186 A CA 1.513 53.433 52.037 -0.195 0.000 0.670 186 A CB -0.474 18.434 19.000 -0.153 0.000 0.804 186 A HN 0.585 nan 8.150 nan 0.000 0.453 187 H N -2.881 116.099 119.070 -0.151 0.000 2.553 187 H HA 0.238 4.958 4.556 0.274 0.000 0.265 187 H C 0.067 175.410 175.328 0.026 0.000 0.964 187 H CA -0.675 55.284 56.048 -0.149 0.000 1.156 187 H CB -0.799 28.689 29.762 -0.456 0.000 1.411 187 H HN 0.448 nan 8.280 nan 0.000 0.558 188 F N 1.657 121.349 119.950 -0.431 0.000 2.578 188 F HA 0.237 4.932 4.527 0.279 0.000 0.376 188 F C 1.520 177.321 175.800 0.001 0.000 1.085 188 F CA 0.987 58.856 58.000 -0.218 0.000 1.260 188 F CB 0.976 39.871 39.000 -0.176 0.000 1.095 188 F HN 0.463 nan 8.300 nan 0.000 0.573 189 G N 3.226 112.121 108.800 0.159 0.000 2.231 189 G HA2 -0.241 3.885 3.960 0.275 0.000 0.206 189 G HA3 -0.241 3.885 3.960 0.275 0.000 0.206 189 G C -0.198 174.732 174.900 0.050 0.000 0.996 189 G CA -0.640 44.547 45.100 0.146 0.000 0.645 189 G HN 0.487 nan 8.290 nan 0.000 0.498 190 L N 1.995 123.189 121.223 -0.049 0.000 2.417 190 L HA 0.427 4.932 4.340 0.275 0.000 0.268 190 L C 1.315 178.345 176.870 0.267 0.000 1.158 190 L CA -0.794 54.010 54.840 -0.060 0.000 0.819 190 L CB 0.714 42.630 42.059 -0.238 0.000 1.112 190 L HN 0.477 nan 8.230 nan 0.000 0.458 191 Q N 1.608 121.535 119.800 0.212 0.000 2.320 191 Q HA 0.196 4.702 4.340 0.275 0.000 0.311 191 Q C 0.890 177.090 176.000 0.333 0.000 1.083 191 Q CA 0.496 56.422 55.803 0.205 0.000 1.001 191 Q CB -0.071 28.738 28.738 0.119 0.000 1.074 191 Q HN 0.920 nan 8.270 nan 0.000 0.379 192 G N 1.984 110.875 108.800 0.152 0.000 2.232 192 G HA2 -0.254 3.871 3.960 0.275 0.000 0.226 192 G HA3 -0.254 3.871 3.960 0.275 0.000 0.226 192 G C -0.292 174.590 174.900 -0.028 0.000 0.996 192 G CA -0.214 44.873 45.100 -0.021 0.000 0.626 192 G HN 0.539 nan 8.290 nan 0.000 0.509 193 F N 1.629 121.660 119.950 0.135 0.000 2.457 193 F HA 0.675 5.369 4.527 0.277 0.000 0.330 193 F C -1.507 174.178 175.800 -0.192 0.000 1.069 193 F CA -2.302 55.710 58.000 0.020 0.000 1.009 193 F CB 0.579 39.602 39.000 0.039 0.000 1.276 193 F HN -0.169 nan 8.300 nan 0.000 0.492 194 P HA 0.078 nan 4.420 nan 0.000 0.271 194 P C -1.263 175.758 177.300 -0.466 0.000 1.244 194 P CA -0.167 62.610 63.100 -0.538 0.000 0.793 194 P CB 0.459 31.515 31.700 -1.074 0.000 0.984 195 D N -0.716 119.573 120.400 -0.185 0.000 2.225 195 D HA 0.224 5.029 4.640 0.275 0.000 0.249 195 D C 0.354 176.723 176.300 0.114 0.000 1.052 195 D CA -0.092 53.889 54.000 -0.032 0.000 0.909 195 D CB 0.634 41.427 40.800 -0.012 0.000 1.186 195 D HN 0.093 nan 8.370 nan 0.000 0.431 196 S N -0.194 115.558 115.700 0.085 0.000 2.608 196 S HA 0.061 4.696 4.470 0.275 0.000 0.261 196 S C 1.324 175.734 174.600 -0.318 0.000 1.314 196 S CA -0.299 57.945 58.200 0.074 0.000 0.992 196 S CB 0.957 64.132 63.200 -0.042 0.000 0.935 196 S HN 0.442 nan 8.310 nan 0.000 0.564 197 T N 2.637 117.023 114.554 -0.279 0.000 3.113 197 T HA 0.143 4.658 4.350 0.275 0.000 0.256 197 T C 1.643 176.103 174.700 -0.399 0.000 1.131 197 T CA 0.574 62.422 62.100 -0.420 0.000 1.074 197 T CB -0.623 68.124 68.868 -0.202 0.000 0.944 197 T HN 0.556 nan 8.240 nan 0.000 0.516 198 L N 0.820 121.759 121.223 -0.474 0.000 2.189 198 L HA -0.116 4.390 4.340 0.275 0.000 0.214 198 L C 2.078 178.576 176.870 -0.620 0.000 1.097 198 L CA 1.471 55.894 54.840 -0.696 0.000 0.764 198 L CB -0.549 41.036 42.059 -0.790 0.000 0.900 198 L HN 0.362 nan 8.230 nan 0.000 0.436 199 N N -1.461 116.910 118.700 -0.549 0.000 2.446 199 N HA -0.081 4.824 4.740 0.275 0.000 0.179 199 N C 0.653 176.064 175.510 -0.166 0.000 1.054 199 N CA 0.518 53.337 53.050 -0.386 0.000 0.905 199 N CB 0.132 38.369 38.487 -0.416 0.000 0.973 199 N HN 0.412 nan 8.380 nan 0.000 0.448 200 Y N 0.189 120.451 120.300 -0.065 0.000 2.681 200 Y HA 0.257 4.973 4.550 0.276 0.000 0.267 200 Y C -0.063 175.842 175.900 0.007 0.000 1.166 200 Y CA -0.696 57.380 58.100 -0.040 0.000 1.209 200 Y CB 0.080 38.481 38.460 -0.100 0.000 1.161 200 Y HN -0.092 nan 8.280 nan 0.000 0.534 201 Q N -0.389 119.507 119.800 0.159 0.000 2.503 201 Q HA -0.209 4.297 4.340 0.275 0.000 0.267 201 Q C 0.309 176.386 176.000 0.129 0.000 1.030 201 Q CA 0.251 56.133 55.803 0.132 0.000 1.041 201 Q CB -1.540 27.235 28.738 0.062 0.000 1.406 201 Q HN 0.538 nan 8.270 nan 0.000 0.524 202 A N 0.341 123.269 122.820 0.181 0.000 2.511 202 A HA 0.136 4.621 4.320 0.275 0.000 0.242 202 A C 0.623 178.270 177.584 0.105 0.000 1.069 202 A CA 0.635 52.747 52.037 0.124 0.000 0.763 202 A CB 0.311 19.365 19.000 0.089 0.000 1.001 202 A HN 0.333 nan 8.150 nan 0.000 0.498 203 D N -0.070 120.263 120.400 -0.112 0.000 2.097 203 D HA 0.005 4.811 4.640 0.275 0.000 0.197 203 D C -0.506 175.499 176.300 -0.492 0.000 0.984 203 D CA 1.946 55.656 54.000 -0.483 0.000 0.826 203 D CB -0.076 40.194 40.800 -0.884 0.000 0.973 203 D HN 0.654 nan 8.370 nan 0.000 0.460 204 Y N -0.569 119.876 120.300 0.241 0.000 2.373 204 Y HA 0.555 5.277 4.550 0.287 0.000 0.336 204 Y C -0.742 175.272 175.900 0.190 0.000 0.979 204 Y CA -1.294 56.947 58.100 0.235 0.000 1.080 204 Y CB 1.705 40.269 38.460 0.174 0.000 1.190 204 Y HN -0.372 nan 8.280 nan 0.000 0.446 205 V N 4.343 124.453 119.914 0.326 0.000 2.447 205 V HA 0.451 4.736 4.120 0.275 0.000 0.292 205 V C -0.587 175.630 176.094 0.205 0.000 1.021 205 V CA -0.876 61.543 62.300 0.198 0.000 0.850 205 V CB 1.478 33.340 31.823 0.066 0.000 1.005 205 V HN 0.591 nan 8.190 nan 0.000 0.426 206 V N 5.041 125.029 119.914 0.123 0.000 2.481 206 V HA 0.529 4.814 4.120 0.275 0.000 0.286 206 V C -0.156 175.958 176.094 0.033 0.000 1.042 206 V CA -0.506 61.825 62.300 0.052 0.000 0.928 206 V CB 1.539 33.366 31.823 0.006 0.000 0.986 206 V HN 0.926 nan 8.190 nan 0.000 0.462 207 Q N 1.985 121.805 119.800 0.034 0.000 2.356 207 Q HA 0.458 4.963 4.340 0.275 0.000 0.270 207 Q C -0.859 175.167 176.000 0.044 0.000 1.058 207 Q CA -0.557 55.281 55.803 0.058 0.000 0.802 207 Q CB 2.309 31.191 28.738 0.239 0.000 1.303 207 Q HN 0.675 nan 8.270 nan 0.000 0.444 208 S N 2.803 118.461 115.700 -0.070 0.000 2.955 208 S HA 0.133 4.768 4.470 0.275 0.000 0.294 208 S C 0.467 175.040 174.600 -0.046 0.000 1.198 208 S CA -0.343 57.780 58.200 -0.129 0.000 1.008 208 S CB -0.252 62.697 63.200 -0.417 0.000 1.279 208 S HN 0.454 nan 8.310 nan 0.000 0.508 209 F N 2.741 122.611 119.950 -0.134 0.000 2.063 209 F HA -0.166 4.533 4.527 0.287 0.000 0.298 209 F C 1.856 177.582 175.800 -0.123 0.000 1.109 209 F CA 1.287 59.235 58.000 -0.087 0.000 1.212 209 F CB -1.428 37.570 39.000 -0.005 0.000 0.973 209 F HN 0.668 nan 8.300 nan 0.000 0.480 213 L N 1.628 122.705 121.223 -0.243 0.000 2.313 213 L HA 0.655 5.161 4.340 0.275 0.000 0.268 213 L C -2.461 174.276 176.870 -0.221 0.000 1.010 213 L CA -3.043 51.648 54.840 -0.249 0.000 0.814 213 L CB 1.756 43.670 42.059 -0.242 0.000 1.304 213 L HN -0.194 nan 8.230 nan 0.000 0.441 214 P HA 0.182 nan 4.420 nan 0.000 0.237 214 P C -1.006 176.257 177.300 -0.061 0.000 1.788 214 P CA 0.060 63.016 63.100 -0.240 0.000 1.061 214 P CB 0.226 31.590 31.700 -0.561 0.000 1.967 215 A N 2.656 125.520 122.820 0.072 0.000 2.386 215 A HA 0.679 5.164 4.320 0.275 0.000 0.308 215 A C -0.366 177.350 177.584 0.221 0.000 1.128 215 A CA -0.972 51.146 52.037 0.134 0.000 0.789 215 A CB 0.938 20.065 19.000 0.211 0.000 1.325 215 A HN 0.251 nan 8.150 nan 0.000 0.437 216 L N 1.092 122.389 121.223 0.124 0.000 2.417 216 L HA 0.241 4.747 4.340 0.275 0.000 0.268 216 L C 0.633 177.549 176.870 0.076 0.000 1.158 216 L CA -0.370 54.541 54.840 0.120 0.000 0.819 216 L CB 0.742 42.801 42.059 -0.001 0.000 1.112 216 L HN 0.788 nan 8.230 nan 0.000 0.458 217 T N 4.429 119.016 114.554 0.055 0.000 2.891 217 T HA 0.008 4.523 4.350 0.275 0.000 0.296 217 T C 0.982 175.456 174.700 -0.376 0.000 1.025 217 T CA 0.568 62.544 62.100 -0.207 0.000 1.149 217 T CB 0.213 69.037 68.868 -0.072 0.000 1.007 217 T HN 0.734 nan 8.240 nan 0.000 0.528 218 M N -0.829 118.270 119.600 -0.835 0.000 3.026 218 M HA -0.134 4.511 4.480 0.275 0.000 0.215 218 M C 1.035 177.194 176.300 -0.235 0.000 0.574 218 M CA 1.280 56.307 55.300 -0.456 0.000 0.824 218 M CB -1.702 30.776 32.600 -0.203 0.000 2.936 218 M HN 0.761 nan 8.290 nan 0.000 0.296 219 G N 1.758 110.475 108.800 -0.140 0.000 2.361 219 G HA2 0.500 4.625 3.960 0.275 0.000 0.260 219 G HA3 0.500 4.625 3.960 0.275 0.000 0.260 219 G C -0.149 174.810 174.900 0.098 0.000 1.261 219 G CA 0.477 45.571 45.100 -0.010 0.000 0.897 219 G HN 0.268 nan 8.290 nan 0.000 0.499 220 S N -0.324 115.350 115.700 -0.043 0.000 2.671 220 S HA 0.671 5.306 4.470 0.275 0.000 0.277 220 S C -0.990 173.401 174.600 -0.349 0.000 1.165 220 S CA -0.550 57.571 58.200 -0.133 0.000 0.822 220 S CB 2.206 65.390 63.200 -0.027 0.000 1.150 220 S HN 0.572 nan 8.310 nan 0.000 0.479 221 V N 2.059 121.679 119.914 -0.490 0.000 2.638 221 V HA 0.530 4.815 4.120 0.275 0.000 0.306 221 V C -1.235 174.595 176.094 -0.440 0.000 1.052 221 V CA -0.659 61.281 62.300 -0.599 0.000 0.885 221 V CB 1.646 32.823 31.823 -1.076 0.000 0.999 221 V HN 0.701 nan 8.190 nan 0.000 0.424 222 L N 5.799 126.839 121.223 -0.305 0.000 2.264 222 L HA 0.574 5.079 4.340 0.275 0.000 0.289 222 L C -1.126 175.665 176.870 -0.132 0.000 1.044 222 L CA 0.074 54.841 54.840 -0.122 0.000 0.807 222 L CB 0.603 42.668 42.059 0.010 0.000 1.192 222 L HN 0.563 nan 8.230 nan 0.000 0.425 223 Y N 5.895 126.281 120.300 0.144 0.000 2.335 223 Y HA 0.546 5.267 4.550 0.285 0.000 0.339 223 Y C 0.039 176.180 175.900 0.402 0.000 0.987 223 Y CA -0.511 57.716 58.100 0.211 0.000 1.140 223 Y CB 1.165 39.635 38.460 0.016 0.000 1.173 223 Y HN 0.442 nan 8.280 nan 0.000 0.486 224 I N 3.558 124.492 120.570 0.607 0.000 2.404 224 I HA 0.168 4.504 4.170 0.275 0.000 0.293 224 I C 0.005 176.298 176.117 0.294 0.000 0.992 224 I CA -0.902 60.700 61.300 0.502 0.000 1.149 224 I CB 1.087 39.342 38.000 0.424 0.000 1.315 224 I HN 0.603 nan 8.210 nan 0.000 0.446 225 H N 6.410 125.439 119.070 -0.069 0.000 2.886 225 H HA 0.086 4.806 4.556 0.274 0.000 0.329 225 H C 0.505 175.684 175.328 -0.248 0.000 1.044 225 H CA 0.728 56.457 56.048 -0.531 0.000 1.456 225 H CB 1.165 30.601 29.762 -0.543 0.000 1.464 225 H HN 0.595 nan 8.280 nan 0.000 0.573 226 K N 3.124 123.233 120.400 -0.485 0.000 2.360 226 K HA -0.094 4.391 4.320 0.275 0.000 0.201 226 K C 0.714 177.277 176.600 -0.060 0.000 1.046 226 K CA 0.894 57.059 56.287 -0.204 0.000 0.945 226 K CB 0.373 32.730 32.500 -0.238 0.000 0.750 226 K HN 0.524 nan 8.250 nan 0.000 0.464 227 N N 0.159 118.918 118.700 0.098 0.000 2.236 227 N HA 0.073 4.978 4.740 0.275 0.000 0.196 227 N C -0.188 175.322 175.510 -0.001 0.000 1.114 227 N CA 0.029 53.123 53.050 0.072 0.000 0.859 227 N CB 0.579 39.115 38.487 0.082 0.000 0.982 227 N HN 0.059 nan 8.380 nan 0.000 0.493 228 A N 2.071 124.901 122.820 0.017 0.000 2.483 228 A HA 0.333 4.818 4.320 0.275 0.000 0.238 228 A C -2.108 175.446 177.584 -0.050 0.000 1.070 228 A CA -0.644 51.340 52.037 -0.088 0.000 0.770 228 A CB -0.270 18.649 19.000 -0.136 0.000 1.008 228 A HN -0.037 nan 8.150 nan 0.000 0.497 229 P HA 0.200 nan 4.420 nan 0.000 0.268 229 P C -0.645 176.462 177.300 -0.322 0.000 1.205 229 P CA 0.666 63.509 63.100 -0.428 0.000 0.771 229 P CB -0.140 31.183 31.700 -0.629 0.000 0.858 230 Y N -0.720 119.552 120.300 -0.047 0.000 4.177 230 Y HA -0.320 4.394 4.550 0.274 0.000 0.227 230 Y C 1.810 177.674 175.900 -0.060 0.000 1.154 230 Y CA -0.096 57.932 58.100 -0.121 0.000 1.887 230 Y CB -1.976 36.297 38.460 -0.312 0.000 1.594 230 Y HN 0.410 nan 8.280 nan 0.000 0.668 231 R N 0.711 121.259 120.500 0.079 0.000 2.113 231 R HA -0.236 4.269 4.340 0.275 0.000 0.244 231 R C 1.857 178.156 176.300 -0.001 0.000 1.142 231 R CA 2.192 58.334 56.100 0.070 0.000 0.953 231 R CB -0.227 30.110 30.300 0.062 0.000 0.860 231 R HN 0.616 nan 8.270 nan 0.000 0.438 232 E N 0.146 120.339 120.200 -0.011 0.000 2.051 232 E HA -0.166 4.350 4.350 0.275 0.000 0.192 232 E C 1.766 178.297 176.600 -0.115 0.000 0.991 232 E CA 1.428 57.793 56.400 -0.057 0.000 0.799 232 E CB -0.108 29.564 29.700 -0.045 0.000 0.748 232 E HN 0.390 nan 8.360 nan 0.000 0.449 233 N N 0.801 119.440 118.700 -0.101 0.000 2.104 233 N HA -0.156 4.750 4.740 0.275 0.000 0.190 233 N C 1.847 177.244 175.510 -0.188 0.000 1.024 233 N CA 1.069 53.998 53.050 -0.203 0.000 0.853 233 N CB -0.167 38.243 38.487 -0.128 0.000 1.008 233 N HN 0.121 nan 8.380 nan 0.000 0.424 234 I N 0.639 121.175 120.570 -0.056 0.000 2.179 234 I HA -0.237 4.099 4.170 0.275 0.000 0.242 234 I C 1.848 177.894 176.117 -0.119 0.000 1.088 234 I CA 1.072 62.358 61.300 -0.023 0.000 1.357 234 I CB -0.275 37.690 38.000 -0.058 0.000 1.051 234 I HN 0.134 nan 8.210 nan 0.000 0.409 235 I N 0.427 120.871 120.570 -0.211 0.000 2.264 235 I HA -0.283 4.052 4.170 0.275 0.000 0.248 235 I C 2.533 178.530 176.117 -0.199 0.000 1.111 235 I CA 1.249 62.376 61.300 -0.289 0.000 1.382 235 I CB -0.257 37.577 38.000 -0.276 0.000 1.060 235 I HN 0.236 nan 8.210 nan 0.000 0.418 236 E N 0.466 120.513 120.200 -0.254 0.000 2.072 236 E HA -0.199 4.317 4.350 0.275 0.000 0.190 236 E C 1.999 178.321 176.600 -0.465 0.000 0.982 236 E CA 1.530 57.733 56.400 -0.328 0.000 0.803 236 E CB -0.229 29.203 29.700 -0.446 0.000 0.755 236 E HN 0.418 nan 8.360 nan 0.000 0.453 237 Y N 0.485 120.520 120.300 -0.441 0.000 2.274 237 Y HA -0.083 4.602 4.550 0.225 0.000 0.290 237 Y C 2.045 177.919 175.900 -0.044 0.000 1.145 237 Y CA 0.891 58.726 58.100 -0.441 0.000 1.203 237 Y CB -0.414 37.944 38.460 -0.170 0.000 0.984 237 Y HN 0.053 nan 8.280 nan 0.000 0.533 238 L N -0.457 120.839 121.223 0.123 0.000 2.129 238 L HA -0.274 4.231 4.340 0.275 0.000 0.212 238 L C 2.236 179.182 176.870 0.127 0.000 1.087 238 L CA 1.898 56.822 54.840 0.139 0.000 0.757 238 L CB -0.790 41.299 42.059 0.050 0.000 0.896 238 L HN 0.304 nan 8.230 nan 0.000 0.434 239 S N -2.403 113.327 115.700 0.050 0.000 2.593 239 S HA -0.004 4.631 4.470 0.275 0.000 0.217 239 S C 1.522 176.112 174.600 -0.018 0.000 0.966 239 S CA -0.149 57.955 58.200 -0.160 0.000 0.914 239 S CB -0.231 62.918 63.200 -0.084 0.000 0.776 239 S HN 0.472 nan 8.310 nan 0.000 0.523 240 Y N -0.390 119.793 120.300 -0.195 0.000 2.353 240 Y HA 0.305 4.959 4.550 0.174 0.000 0.294 240 Y C 1.431 177.142 175.900 -0.315 0.000 1.135 240 Y CA 0.033 57.951 58.100 -0.303 0.000 1.176 240 Y CB -0.005 38.203 38.460 -0.420 0.000 1.124 240 Y HN 0.279 nan 8.280 nan 0.000 0.537 241 F N 0.418 120.470 119.950 0.170 0.000 2.789 241 F HA 0.064 4.641 4.527 0.084 0.000 0.300 241 F C 0.453 176.287 175.800 0.057 0.000 1.132 241 F CA 0.328 58.382 58.000 0.090 0.000 1.404 241 F CB 0.216 39.254 39.000 0.062 0.000 1.114 241 F HN -0.040 nan 8.300 nan 0.000 0.584 242 Q N -0.019 119.892 119.800 0.184 0.000 2.309 242 Q HA 0.225 4.730 4.340 0.275 0.000 0.264 242 Q C 0.234 176.283 176.000 0.082 0.000 1.008 242 Q CA -0.657 55.237 55.803 0.151 0.000 0.853 242 Q CB 1.911 30.785 28.738 0.226 0.000 1.314 242 Q HN -0.056 nan 8.270 nan 0.000 0.448 243 T N 0.275 114.889 114.554 0.100 0.000 2.898 243 T HA -0.089 4.427 4.350 0.275 0.000 0.331 243 T C 1.152 175.946 174.700 0.157 0.000 1.085 243 T CA 0.674 62.826 62.100 0.086 0.000 1.129 243 T CB 0.341 69.259 68.868 0.084 0.000 1.054 243 T HN 0.755 nan 8.240 nan 0.000 0.540 244 S N 1.942 117.701 115.700 0.098 0.000 2.561 244 S HA 0.083 4.718 4.470 0.275 0.000 0.225 244 S C 0.903 175.620 174.600 0.195 0.000 0.977 244 S CA -0.093 58.204 58.200 0.161 0.000 0.926 244 S CB 0.301 63.533 63.200 0.054 0.000 0.769 244 S HN 0.511 nan 8.310 nan 0.000 0.533 245 S N 3.817 119.600 115.700 0.138 0.000 2.222 245 S HA 0.360 4.995 4.470 0.275 0.000 0.173 245 S C -2.544 172.103 174.600 0.077 0.000 1.466 245 S CA -1.102 57.159 58.200 0.101 0.000 1.184 245 S CB 0.526 63.770 63.200 0.073 0.000 1.168 245 S HN 0.446 nan 8.310 nan 0.000 0.475 246 P HA 0.161 nan 4.420 nan 0.000 0.275 246 P C -0.153 177.090 177.300 -0.095 0.000 1.227 246 P CA -0.170 62.900 63.100 -0.050 0.000 0.781 246 P CB 0.895 32.488 31.700 -0.178 0.000 0.906 247 S N 2.105 117.758 115.700 -0.079 0.000 2.505 247 S HA 0.124 4.760 4.470 0.275 0.000 0.276 247 S C 0.682 175.212 174.600 -0.118 0.000 1.274 247 S CA -0.276 57.902 58.200 -0.038 0.000 1.053 247 S CB -0.322 62.862 63.200 -0.028 0.000 0.919 247 S HN 0.310 nan 8.310 nan 0.000 0.490 248 Y N 4.015 124.273 120.300 -0.069 0.000 2.457 248 Y HA 0.046 4.767 4.550 0.285 0.000 0.292 248 Y C 1.866 177.708 175.900 -0.097 0.000 1.125 248 Y CA 0.775 58.822 58.100 -0.088 0.000 1.254 248 Y CB -0.047 38.374 38.460 -0.065 0.000 1.012 248 Y HN 0.612 nan 8.280 nan 0.000 0.555 249 L N -0.536 120.721 121.223 0.055 0.000 1.994 249 L HA -0.249 4.256 4.340 0.275 0.000 0.208 249 L C 2.138 178.973 176.870 -0.059 0.000 1.071 249 L CA 1.484 56.321 54.840 -0.005 0.000 0.745 249 L CB -0.639 41.414 42.059 -0.009 0.000 0.892 249 L HN 0.263 nan 8.230 nan 0.000 0.431 250 I N -0.570 119.953 120.570 -0.079 0.000 2.179 250 I HA -0.350 3.985 4.170 0.275 0.000 0.242 250 I C 2.693 178.695 176.117 -0.192 0.000 1.088 250 I CA 1.546 62.780 61.300 -0.111 0.000 1.357 250 I CB -0.244 37.693 38.000 -0.105 0.000 1.051 250 I HN 0.284 nan 8.210 nan 0.000 0.409 251 M N 0.329 119.761 119.600 -0.281 0.000 2.108 251 M HA -0.209 4.436 4.480 0.275 0.000 0.261 251 M C 2.550 178.568 176.300 -0.470 0.000 1.066 251 M CA 2.073 57.061 55.300 -0.521 0.000 1.107 251 M CB -0.520 31.738 32.600 -0.570 0.000 1.356 251 M HN 0.325 nan 8.290 nan 0.000 0.406 252 A N 0.191 122.870 122.820 -0.234 0.000 1.972 252 A HA -0.163 4.322 4.320 0.275 0.000 0.219 252 A C 2.269 179.792 177.584 -0.101 0.000 1.169 252 A CA 2.097 54.054 52.037 -0.134 0.000 0.635 252 A CB -0.838 18.136 19.000 -0.044 0.000 0.810 252 A HN 0.605 nan 8.150 nan 0.000 0.446 253 S N -0.194 115.447 115.700 -0.098 0.000 2.406 253 S HA -0.039 4.597 4.470 0.275 0.000 0.228 253 S C 1.899 176.507 174.600 0.013 0.000 1.020 253 S CA 1.145 59.322 58.200 -0.039 0.000 0.965 253 S CB -0.666 62.513 63.200 -0.036 0.000 0.798 253 S HN 0.446 nan 8.310 nan 0.000 0.488 254 L N 1.335 122.529 121.223 -0.049 0.000 2.012 254 L HA -0.121 4.384 4.340 0.275 0.000 0.210 254 L C 3.075 180.045 176.870 0.167 0.000 1.073 254 L CA 2.141 57.018 54.840 0.062 0.000 0.748 254 L CB -0.602 41.345 42.059 -0.186 0.000 0.891 254 L HN 0.483 nan 8.230 nan 0.000 0.431 255 E N -0.532 119.667 120.200 -0.001 0.000 2.077 255 E HA -0.253 4.262 4.350 0.275 0.000 0.193 255 E C 2.339 179.023 176.600 0.139 0.000 0.989 255 E CA 1.466 57.927 56.400 0.101 0.000 0.800 255 E CB 0.029 29.733 29.700 0.008 0.000 0.746 255 E HN 0.304 nan 8.360 nan 0.000 0.452 256 S N -0.462 115.296 115.700 0.098 0.000 2.368 256 S HA -0.120 4.515 4.470 0.275 0.000 0.225 256 S C 1.984 176.690 174.600 0.176 0.000 1.030 256 S CA 1.225 59.500 58.200 0.125 0.000 0.999 256 S CB -0.235 63.013 63.200 0.081 0.000 0.844 256 S HN 0.421 nan 8.310 nan 0.000 0.459 257 A N 0.964 123.881 122.820 0.162 0.000 1.968 257 A HA 0.328 4.813 4.320 0.275 0.000 0.217 257 A C 2.379 180.094 177.584 0.218 0.000 1.169 257 A CA 1.573 53.702 52.037 0.153 0.000 0.638 257 A CB -1.111 17.968 19.000 0.133 0.000 0.812 257 A HN 0.703 nan 8.150 nan 0.000 0.446 258 A N -0.683 122.300 122.820 0.273 0.000 1.898 258 A HA -0.161 4.324 4.320 0.275 0.000 0.216 258 A C 2.144 179.875 177.584 0.245 0.000 1.181 258 A CA 1.990 54.183 52.037 0.260 0.000 0.620 258 A CB -0.487 18.718 19.000 0.342 0.000 0.819 258 A HN 0.523 nan 8.150 nan 0.000 0.442 259 Q N -1.006 118.934 119.800 0.232 0.000 2.124 259 Q HA -0.155 4.350 4.340 0.275 0.000 0.202 259 Q C 1.678 177.818 176.000 0.234 0.000 0.977 259 Q CA 2.055 57.980 55.803 0.203 0.000 0.850 259 Q CB -0.605 28.236 28.738 0.171 0.000 0.901 259 Q HN 0.624 nan 8.270 nan 0.000 0.429 260 F N -0.481 119.545 119.950 0.126 0.000 2.134 260 F HA -0.221 4.471 4.527 0.275 0.000 0.299 260 F C 1.966 177.811 175.800 0.074 0.000 1.097 260 F CA 1.712 59.768 58.000 0.093 0.000 1.264 260 F CB -0.515 38.488 39.000 0.005 0.000 1.001 260 F HN 0.270 nan 8.300 nan 0.000 0.479 261 Y N 1.473 121.804 120.300 0.053 0.000 2.145 261 Y HA -0.254 4.463 4.550 0.279 0.000 0.286 261 Y C 2.609 178.469 175.900 -0.066 0.000 1.145 261 Y CA 2.404 60.451 58.100 -0.089 0.000 1.148 261 Y CB -0.699 37.696 38.460 -0.109 0.000 0.981 261 Y HN 0.139 nan 8.280 nan 0.000 0.507 262 K N -0.632 119.917 120.400 0.248 0.000 2.147 262 K HA -0.148 4.337 4.320 0.275 0.000 0.205 262 K C 1.255 177.872 176.600 0.028 0.000 1.049 262 K CA 1.882 58.267 56.287 0.164 0.000 0.936 262 K CB -0.269 32.327 32.500 0.160 0.000 0.722 262 K HN 0.508 nan 8.250 nan 0.000 0.446 263 T N -2.674 111.871 114.554 -0.016 0.000 3.084 263 T HA 0.076 4.592 4.350 0.275 0.000 0.270 263 T C 0.046 174.681 174.700 -0.108 0.000 1.008 263 T CA -0.714 61.360 62.100 -0.042 0.000 0.900 263 T CB -0.294 68.571 68.868 -0.005 0.000 1.084 263 T HN 0.138 nan 8.240 nan 0.000 0.538 264 Y N 2.993 123.071 120.300 -0.370 0.000 2.511 264 Y HA 0.382 5.098 4.550 0.277 0.000 0.332 264 Y C -0.029 175.738 175.900 -0.222 0.000 1.177 264 Y CA -0.659 57.163 58.100 -0.464 0.000 1.422 264 Y CB 0.455 38.517 38.460 -0.664 0.000 1.271 264 Y HN 0.150 nan 8.280 nan 0.000 0.550 265 D N 2.869 122.849 120.400 -0.701 0.000 2.391 265 D HA 0.153 4.959 4.640 0.275 0.000 0.245 265 D C 0.081 175.950 176.300 -0.719 0.000 1.069 265 D CA -0.086 53.624 54.000 -0.484 0.000 0.831 265 D CB 1.702 42.362 40.800 -0.233 0.000 1.204 265 D HN 0.646 nan 8.370 nan 0.000 0.503 266 S N 1.452 116.984 115.700 -0.281 0.000 2.535 266 S HA -0.037 4.598 4.470 0.275 0.000 0.214 266 S C 1.543 176.332 174.600 0.314 0.000 0.980 266 S CA 0.169 58.401 58.200 0.052 0.000 0.907 266 S CB 0.073 63.579 63.200 0.509 0.000 0.790 266 S HN 0.450 nan 8.310 nan 0.000 0.510 267 T N 3.427 118.090 114.554 0.181 0.000 2.653 267 T HA -0.118 4.397 4.350 0.275 0.000 0.268 267 T C 1.547 176.356 174.700 0.183 0.000 1.035 267 T CA 1.722 63.937 62.100 0.190 0.000 1.154 267 T CB -0.636 68.273 68.868 0.067 0.000 0.862 267 T HN 0.312 nan 8.240 nan 0.000 0.441 268 L N 0.568 121.861 121.223 0.116 0.000 2.131 268 L HA 0.088 4.593 4.340 0.275 0.000 0.210 268 L C 1.963 178.898 176.870 0.109 0.000 1.092 268 L CA 1.384 56.266 54.840 0.071 0.000 0.759 268 L CB -1.038 41.062 42.059 0.068 0.000 0.903 268 L HN 0.317 nan 8.230 nan 0.000 0.435 269 F N -0.695 119.331 119.950 0.128 0.000 2.075 269 F HA -0.267 4.426 4.527 0.277 0.000 0.297 269 F C 2.053 177.894 175.800 0.068 0.000 1.113 269 F CA 1.662 59.794 58.000 0.220 0.000 1.218 269 F CB -0.462 38.659 39.000 0.201 0.000 0.984 269 F HN 0.058 nan 8.300 nan 0.000 0.472 270 F N 0.635 120.676 119.950 0.151 0.000 2.269 270 F HA -0.096 4.596 4.527 0.276 0.000 0.301 270 F C 2.472 178.203 175.800 -0.114 0.000 1.082 270 F CA 1.076 59.057 58.000 -0.032 0.000 1.360 270 F CB -1.221 37.823 39.000 0.073 0.000 1.041 270 F HN 0.117 nan 8.300 nan 0.000 0.512 271 A N -0.066 122.780 122.820 0.042 0.000 1.854 271 A HA -0.147 4.338 4.320 0.275 0.000 0.214 271 A C 2.236 179.714 177.584 -0.177 0.000 1.192 271 A CA 1.323 53.331 52.037 -0.048 0.000 0.611 271 A CB -0.510 18.456 19.000 -0.056 0.000 0.832 271 A HN 0.260 nan 8.150 nan 0.000 0.442 272 K N -0.720 119.436 120.400 -0.407 0.000 2.097 272 K HA -0.127 4.358 4.320 0.275 0.000 0.206 272 K C 2.343 178.665 176.600 -0.465 0.000 1.049 272 K CA 1.307 57.135 56.287 -0.765 0.000 0.933 272 K CB -0.149 31.248 32.500 -1.839 0.000 0.717 272 K HN 0.450 nan 8.250 nan 0.000 0.442 273 R N 0.791 121.068 120.500 -0.372 0.000 2.091 273 R HA -0.159 4.346 4.340 0.275 0.000 0.238 273 R C 2.176 178.460 176.300 -0.026 0.000 1.136 273 R CA 1.527 57.533 56.100 -0.156 0.000 0.959 273 R CB -0.216 29.835 30.300 -0.415 0.000 0.856 273 R HN 0.183 nan 8.270 nan 0.000 0.437 274 A N 0.698 123.503 122.820 -0.025 0.000 1.877 274 A HA -0.211 4.274 4.320 0.275 0.000 0.216 274 A C 2.077 179.687 177.584 0.044 0.000 1.186 274 A CA 1.458 53.511 52.037 0.028 0.000 0.620 274 A CB -0.517 18.501 19.000 0.030 0.000 0.822 274 A HN 0.500 nan 8.150 nan 0.000 0.443 275 Q N -1.135 118.693 119.800 0.046 0.000 2.061 275 Q HA -0.205 4.300 4.340 0.275 0.000 0.204 275 Q C 2.108 178.158 176.000 0.084 0.000 0.984 275 Q CA 1.560 57.414 55.803 0.086 0.000 0.846 275 Q CB -0.392 28.453 28.738 0.177 0.000 0.902 275 Q HN 0.553 nan 8.270 nan 0.000 0.421 276 L N 0.855 122.151 121.223 0.123 0.000 2.012 276 L HA -0.200 4.305 4.340 0.275 0.000 0.210 276 L C 2.003 178.940 176.870 0.112 0.000 1.073 276 L CA 1.683 56.594 54.840 0.119 0.000 0.748 276 L CB -0.533 41.665 42.059 0.233 0.000 0.891 276 L HN 0.236 nan 8.230 nan 0.000 0.431 277 I N -0.738 119.897 120.570 0.108 0.000 2.179 277 I HA -0.312 4.023 4.170 0.275 0.000 0.242 277 I C 2.464 178.645 176.117 0.107 0.000 1.088 277 I CA 1.389 62.754 61.300 0.109 0.000 1.357 277 I CB -0.394 37.663 38.000 0.095 0.000 1.051 277 I HN 0.368 nan 8.210 nan 0.000 0.409 278 E N 0.006 120.256 120.200 0.083 0.000 2.068 278 E HA -0.369 4.146 4.350 0.275 0.000 0.207 278 E C 2.326 178.974 176.600 0.081 0.000 1.032 278 E CA 2.218 58.660 56.400 0.071 0.000 0.839 278 E CB -0.342 29.389 29.700 0.051 0.000 0.758 278 E HN 0.614 nan 8.360 nan 0.000 0.457 279 C N 0.561 119.904 119.300 0.071 0.000 2.413 279 C HA -0.144 4.481 4.460 0.275 0.000 0.277 279 C C 2.687 177.760 174.990 0.138 0.000 1.228 279 C CA 0.843 59.902 59.018 0.068 0.000 1.731 279 C CB -1.121 26.631 27.740 0.019 0.000 2.042 279 C HN 0.364 nan 8.230 nan 0.000 0.468 280 L N 0.625 121.963 121.223 0.191 0.000 2.012 280 L HA -0.181 4.324 4.340 0.275 0.000 0.210 280 L C 2.758 179.855 176.870 0.378 0.000 1.073 280 L CA 2.234 57.284 54.840 0.349 0.000 0.748 280 L CB -0.844 41.376 42.059 0.268 0.000 0.891 280 L HN 0.448 nan 8.230 nan 0.000 0.431 281 E N -0.095 120.249 120.200 0.240 0.000 2.077 281 E HA -0.193 4.322 4.350 0.275 0.000 0.193 281 E C 1.790 178.472 176.600 0.137 0.000 0.989 281 E CA 1.069 57.584 56.400 0.191 0.000 0.800 281 E CB -0.151 29.630 29.700 0.135 0.000 0.746 281 E HN 0.454 nan 8.360 nan 0.000 0.452 282 N N 0.791 119.557 118.700 0.109 0.000 2.520 282 N HA -0.120 4.786 4.740 0.275 0.000 0.185 282 N C 1.378 176.920 175.510 0.053 0.000 1.068 282 N CA 0.798 53.888 53.050 0.066 0.000 0.911 282 N CB 0.036 38.551 38.487 0.048 0.000 0.961 282 N HN -0.039 nan 8.380 nan 0.000 0.446 283 K N -0.365 120.089 120.400 0.091 0.000 2.393 283 K HA 0.174 4.660 4.320 0.275 0.000 0.193 283 K C 0.876 177.446 176.600 -0.051 0.000 1.026 283 K CA 0.458 56.759 56.287 0.023 0.000 1.064 283 K CB 0.058 32.623 32.500 0.108 0.000 0.833 283 K HN 0.148 nan 8.250 nan 0.000 0.521 284 G N -0.586 108.229 108.800 0.026 0.000 2.179 284 G HA2 -0.225 3.900 3.960 0.275 0.000 0.220 284 G HA3 -0.225 3.900 3.960 0.275 0.000 0.220 284 G C -0.081 174.864 174.900 0.075 0.000 0.990 284 G CA -0.188 44.920 45.100 0.013 0.000 0.646 284 G HN 0.143 nan 8.290 nan 0.000 0.517 285 F N 1.463 121.607 119.950 0.325 0.000 2.459 285 F HA 0.562 5.255 4.527 0.276 0.000 0.346 285 F C 1.013 176.932 175.800 0.198 0.000 1.128 285 F CA 0.004 58.210 58.000 0.344 0.000 1.268 285 F CB 0.730 39.920 39.000 0.316 0.000 1.161 285 F HN 0.059 nan 8.300 nan 0.000 0.583 286 E N 2.076 122.513 120.200 0.394 0.000 2.191 286 E HA 0.396 4.912 4.350 0.275 0.000 0.263 286 E C -1.107 175.618 176.600 0.208 0.000 0.881 286 E CA -0.915 55.624 56.400 0.232 0.000 0.757 286 E CB 1.515 31.310 29.700 0.158 0.000 1.147 286 E HN 0.336 nan 8.360 nan 0.000 0.414 287 M N 2.827 122.524 119.600 0.161 0.000 2.336 287 M HA 0.367 5.012 4.480 0.275 0.000 0.342 287 M C -0.916 175.446 176.300 0.103 0.000 1.128 287 M CA -0.413 54.963 55.300 0.127 0.000 1.016 287 M CB 1.160 33.829 32.600 0.116 0.000 1.665 287 M HN 0.355 nan 8.290 nan 0.000 0.445 288 L N 3.925 125.206 121.223 0.095 0.000 2.257 288 L HA 0.349 4.854 4.340 0.275 0.000 0.290 288 L C -0.022 176.901 176.870 0.088 0.000 1.044 288 L CA -0.790 54.099 54.840 0.081 0.000 0.810 288 L CB 0.649 42.752 42.059 0.072 0.000 1.193 288 L HN 0.479 nan 8.230 nan 0.000 0.425 289 Q N 4.064 123.912 119.800 0.081 0.000 2.307 289 Q HA 0.224 4.729 4.340 0.275 0.000 0.261 289 Q C 0.039 176.093 176.000 0.090 0.000 1.051 289 Q CA -0.132 55.724 55.803 0.088 0.000 0.911 289 Q CB 1.666 30.451 28.738 0.078 0.000 1.227 289 Q HN 0.565 nan 8.270 nan 0.000 0.418 290 V N -0.330 119.650 119.914 0.109 0.000 3.336 290 V HA 0.269 4.554 4.120 0.275 0.000 0.314 290 V C 0.956 177.118 176.094 0.113 0.000 1.088 290 V CA -0.495 61.874 62.300 0.115 0.000 1.033 290 V CB 1.011 32.920 31.823 0.143 0.000 1.181 290 V HN 0.590 nan 8.190 nan 0.000 0.449 291 D N 0.105 120.569 120.400 0.108 0.000 2.117 291 D HA -0.107 4.698 4.640 0.275 0.000 0.197 291 D C 0.382 176.737 176.300 0.092 0.000 0.987 291 D CA 1.935 55.982 54.000 0.079 0.000 0.829 291 D CB 0.066 40.902 40.800 0.059 0.000 0.961 291 D HN 0.814 nan 8.370 nan 0.000 0.460 292 D N 0.229 120.730 120.400 0.169 0.000 2.325 292 D HA 0.073 4.878 4.640 0.275 0.000 0.251 292 D C -1.804 174.668 176.300 0.287 0.000 1.196 292 D CA -2.088 52.085 54.000 0.288 0.000 0.866 292 D CB 1.803 42.885 40.800 0.469 0.000 1.101 292 D HN -0.145 nan 8.370 nan 0.000 0.476 293 P HA -0.070 nan 4.420 nan 0.000 0.223 293 P C 1.344 178.871 177.300 0.379 0.000 1.151 293 P CA 0.188 63.446 63.100 0.264 0.000 0.787 293 P CB 0.267 32.069 31.700 0.171 0.000 0.788 294 L N -1.101 120.391 121.223 0.449 0.000 2.275 294 L HA -0.035 4.470 4.340 0.275 0.000 0.215 294 L C 0.669 177.633 176.870 0.157 0.000 1.119 294 L CA 1.556 56.565 54.840 0.282 0.000 0.790 294 L CB -0.571 41.467 42.059 -0.036 0.000 0.919 294 L HN -0.221 nan 8.230 nan 0.000 0.443 295 K N 0.789 121.297 120.400 0.180 0.000 2.263 295 K HA 0.362 4.847 4.320 0.275 0.000 0.272 295 K C -1.094 175.569 176.600 0.106 0.000 1.033 295 K CA -0.561 55.792 56.287 0.110 0.000 0.884 295 K CB 1.568 34.140 32.500 0.120 0.000 1.107 295 K HN -0.097 nan 8.250 nan 0.000 0.460 296 L N 4.558 125.818 121.223 0.061 0.000 2.305 296 L HA 0.410 4.915 4.340 0.275 0.000 0.284 296 L C -1.044 175.840 176.870 0.024 0.000 1.013 296 L CA -0.514 54.358 54.840 0.054 0.000 0.819 296 L CB 0.953 43.036 42.059 0.040 0.000 1.227 296 L HN 0.497 nan 8.230 nan 0.000 0.417 297 L N 6.627 127.886 121.223 0.060 0.000 2.280 297 L HA 0.516 5.022 4.340 0.275 0.000 0.287 297 L C -0.636 176.267 176.870 0.056 0.000 1.023 297 L CA -0.297 54.584 54.840 0.070 0.000 0.819 297 L CB 1.294 43.437 42.059 0.140 0.000 1.212 297 L HN 0.531 nan 8.230 nan 0.000 0.420 298 I N 3.998 124.572 120.570 0.007 0.000 2.339 298 I HA 0.371 4.706 4.170 0.275 0.000 0.290 298 I C -0.054 176.140 176.117 0.128 0.000 0.994 298 I CA -0.496 60.819 61.300 0.025 0.000 1.191 298 I CB 1.321 39.210 38.000 -0.185 0.000 1.343 298 I HN 0.526 nan 8.210 nan 0.000 0.458 299 K N 4.925 125.471 120.400 0.243 0.000 2.238 299 K HA 0.571 5.056 4.320 0.275 0.000 0.239 299 K C -1.595 175.305 176.600 0.500 0.000 0.987 299 K CA -1.035 55.429 56.287 0.295 0.000 0.857 299 K CB 2.589 35.215 32.500 0.210 0.000 1.154 299 K HN 0.434 nan 8.250 nan 0.000 0.439 300 Y N 1.019 121.505 120.300 0.310 0.000 2.298 300 Y HA 0.098 4.813 4.550 0.275 0.000 0.322 300 Y C -1.013 175.074 175.900 0.312 0.000 1.138 300 Y CA -0.565 57.727 58.100 0.320 0.000 1.127 300 Y CB 1.187 39.891 38.460 0.405 0.000 1.178 300 Y HN 0.585 nan 8.280 nan 0.000 0.428 301 E N 3.855 124.021 120.200 -0.056 0.000 2.652 301 E HA 0.234 4.750 4.350 0.275 0.000 0.255 301 E C 0.938 177.659 176.600 0.202 0.000 0.952 301 E CA 1.753 58.168 56.400 0.025 0.000 0.947 301 E CB 0.309 29.962 29.700 -0.078 0.000 0.912 301 E HN 1.023 nan 8.360 nan 0.000 0.489 302 G N 2.846 111.756 108.800 0.184 0.000 2.194 302 G HA2 -0.279 3.846 3.960 0.275 0.000 0.236 302 G HA3 -0.279 3.846 3.960 0.275 0.000 0.236 302 G C -0.144 174.659 174.900 -0.160 0.000 0.987 302 G CA -0.240 44.892 45.100 0.053 0.000 0.635 302 G HN 0.449 nan 8.290 nan 0.000 0.520 303 F N 0.579 120.655 119.950 0.211 0.000 2.620 303 F HA 0.696 5.388 4.527 0.275 0.000 0.320 303 F C 0.793 176.639 175.800 0.076 0.000 1.069 303 F CA -0.215 57.890 58.000 0.176 0.000 0.953 303 F CB 1.815 40.990 39.000 0.292 0.000 1.322 303 F HN 0.188 nan 8.300 nan 0.000 0.479 304 T N -2.112 112.537 114.554 0.158 0.000 2.912 304 T HA 0.444 4.959 4.350 0.275 0.000 0.280 304 T C 1.084 175.751 174.700 -0.055 0.000 0.989 304 T CA -0.180 61.943 62.100 0.038 0.000 0.995 304 T CB 1.403 70.293 68.868 0.037 0.000 1.077 304 T HN 0.730 nan 8.240 nan 0.000 0.531 305 G N -0.543 108.174 108.800 -0.139 0.000 2.422 305 G HA2 -0.167 3.959 3.960 0.275 0.000 0.218 305 G HA3 -0.167 3.959 3.960 0.275 0.000 0.218 305 G C 1.416 176.156 174.900 -0.267 0.000 1.146 305 G CA 0.409 45.384 45.100 -0.208 0.000 0.769 305 G HN 0.897 nan 8.290 nan 0.000 0.547 306 H N 1.132 120.149 119.070 -0.087 0.000 2.353 306 H HA -0.058 4.662 4.556 0.275 0.000 0.300 306 H C 2.203 177.418 175.328 -0.188 0.000 1.090 306 H CA 1.415 57.403 56.048 -0.100 0.000 1.327 306 H CB -0.180 29.545 29.762 -0.062 0.000 1.383 306 H HN 0.270 nan 8.280 nan 0.000 0.508 307 D N 0.740 121.039 120.400 -0.169 0.000 2.104 307 D HA -0.103 4.702 4.640 0.275 0.000 0.194 307 D C 2.414 178.067 176.300 -1.078 0.000 0.994 307 D CA 0.721 54.395 54.000 -0.543 0.000 0.830 307 D CB -0.283 40.226 40.800 -0.484 0.000 0.959 307 D HN 0.348 nan 8.370 nan 0.000 0.452 308 I N 0.623 120.750 120.570 -0.739 0.000 2.252 308 I HA -0.246 4.090 4.170 0.275 0.000 0.245 308 I C 2.651 178.726 176.117 -0.069 0.000 1.102 308 I CA 0.784 61.852 61.300 -0.386 0.000 1.385 308 I CB -0.210 37.738 38.000 -0.087 0.000 1.064 308 I HN -0.025 nan 8.210 nan 0.000 0.414 309 Q N 1.111 120.826 119.800 -0.142 0.000 2.045 309 Q HA -0.261 4.244 4.340 0.275 0.000 0.206 309 Q C 2.047 178.057 176.000 0.016 0.000 0.991 309 Q CA 1.984 57.749 55.803 -0.064 0.000 0.851 309 Q CB 0.008 28.718 28.738 -0.046 0.000 0.911 309 Q HN 0.448 nan 8.270 nan 0.000 0.418 310 N N -0.289 118.392 118.700 -0.031 0.000 2.104 310 N HA -0.168 4.738 4.740 0.275 0.000 0.190 310 N C 1.323 176.926 175.510 0.156 0.000 1.024 310 N CA 1.351 54.419 53.050 0.030 0.000 0.853 310 N CB -0.452 38.044 38.487 0.014 0.000 1.008 310 N HN 0.424 nan 8.380 nan 0.000 0.424 311 W N 0.878 122.214 121.300 0.061 0.000 2.335 311 W HA -0.030 4.796 4.660 0.276 0.000 0.311 311 W C 2.219 178.707 176.519 -0.051 0.000 1.213 311 W CA 0.292 57.635 57.345 -0.002 0.000 1.274 311 W CB -1.506 27.960 29.460 0.010 0.000 1.148 311 W HN 0.041 nan 8.180 nan 0.000 0.498 312 F N -0.271 119.740 119.950 0.103 0.000 2.146 312 F HA -0.235 4.458 4.527 0.276 0.000 0.298 312 F C 2.749 178.442 175.800 -0.179 0.000 1.096 312 F CA 1.809 59.788 58.000 -0.034 0.000 1.275 312 F CB -0.876 38.084 39.000 -0.067 0.000 1.008 312 F HN -0.243 nan 8.300 nan 0.000 0.480 313 M N 0.445 120.007 119.600 -0.062 0.000 2.108 313 M HA -0.270 4.376 4.480 0.275 0.000 0.261 313 M C 1.847 177.947 176.300 -0.333 0.000 1.066 313 M CA 1.790 56.868 55.300 -0.370 0.000 1.107 313 M CB -0.307 32.147 32.600 -0.243 0.000 1.356 313 M HN 0.022 nan 8.290 nan 0.000 0.406 314 N N 0.909 119.501 118.700 -0.181 0.000 2.334 314 N HA -0.117 4.788 4.740 0.275 0.000 0.187 314 N C 1.156 176.458 175.510 -0.346 0.000 1.016 314 N CA 1.554 54.473 53.050 -0.220 0.000 0.879 314 N CB -0.403 38.035 38.487 -0.083 0.000 0.965 314 N HN 0.518 nan 8.380 nan 0.000 0.438 315 A N -0.142 122.512 122.820 -0.276 0.000 2.379 315 A HA 0.084 4.569 4.320 0.275 0.000 0.236 315 A C -0.268 177.260 177.584 -0.094 0.000 1.272 315 A CA -0.249 51.674 52.037 -0.189 0.000 0.886 315 A CB -0.457 18.453 19.000 -0.150 0.000 0.962 315 A HN 0.371 nan 8.150 nan 0.000 0.504 316 H N -1.565 117.455 119.070 -0.083 0.000 2.899 316 H HA -0.154 4.567 4.556 0.275 0.000 0.282 316 H C -0.380 174.938 175.328 -0.017 0.000 1.198 316 H CA 1.208 57.240 56.048 -0.027 0.000 1.140 316 H CB -1.992 27.835 29.762 0.108 0.000 1.317 316 H HN 0.559 nan 8.280 nan 0.000 0.375 317 I N 0.763 121.283 120.570 -0.083 0.000 2.354 317 I HA 0.227 4.562 4.170 0.275 0.000 0.292 317 I C -0.019 176.041 176.117 -0.095 0.000 0.989 317 I CA -0.611 60.738 61.300 0.080 0.000 1.188 317 I CB 1.011 39.148 38.000 0.228 0.000 1.342 317 I HN -0.060 nan 8.210 nan 0.000 0.457 318 Y N 6.435 126.877 120.300 0.236 0.000 2.402 318 Y HA 0.445 5.161 4.550 0.276 0.000 0.332 318 Y C 0.182 176.218 175.900 0.226 0.000 0.960 318 Y CA -0.562 57.682 58.100 0.240 0.000 1.228 318 Y CB 0.948 39.590 38.460 0.304 0.000 1.120 318 Y HN 0.339 nan 8.280 nan 0.000 0.491 319 L N 1.753 123.069 121.223 0.154 0.000 2.476 319 L HA 0.126 4.631 4.340 0.275 0.000 0.255 319 L C 1.566 178.505 176.870 0.115 0.000 1.218 319 L CA -0.104 54.762 54.840 0.043 0.000 0.819 319 L CB 0.809 42.777 42.059 -0.151 0.000 1.119 319 L HN 0.555 nan 8.230 nan 0.000 0.485 320 E N 0.923 121.157 120.200 0.057 0.000 2.021 320 E HA -0.016 4.499 4.350 0.275 0.000 0.189 320 E C -0.321 176.286 176.600 0.012 0.000 0.980 320 E CA 1.080 57.525 56.400 0.075 0.000 0.803 320 E CB 0.224 29.961 29.700 0.062 0.000 0.766 320 E HN 0.398 nan 8.360 nan 0.000 0.449 321 L N -3.848 117.333 121.223 -0.070 0.000 2.801 321 L HA 0.909 5.414 4.340 0.275 0.000 0.264 321 L C -1.259 175.534 176.870 -0.127 0.000 1.086 321 L CA -0.921 53.862 54.840 -0.095 0.000 0.920 321 L CB 1.480 43.432 42.059 -0.178 0.000 1.529 321 L HN -0.099 nan 8.230 nan 0.000 0.399 322 A N -0.479 122.278 122.820 -0.105 0.000 2.606 322 A HA 0.865 5.350 4.320 0.275 0.000 0.293 322 A C -1.888 175.569 177.584 -0.211 0.000 1.082 322 A CA 0.116 52.043 52.037 -0.183 0.000 0.685 322 A CB 1.429 20.267 19.000 -0.271 0.000 1.284 322 A HN 1.094 nan 8.150 nan 0.000 0.408 323 D N -0.821 119.442 120.400 -0.227 0.000 2.687 323 D HA 0.468 5.273 4.640 0.275 0.000 0.264 323 D C -0.152 175.910 176.300 -0.398 0.000 1.091 323 D CA -0.457 53.426 54.000 -0.195 0.000 1.123 323 D CB 0.390 41.251 40.800 0.101 0.000 1.407 323 D HN 0.169 nan 8.370 nan 0.000 0.591 324 D N -1.161 119.068 120.400 -0.285 0.000 2.228 324 D HA -0.149 4.657 4.640 0.275 0.000 0.203 324 D C 1.473 177.628 176.300 -0.241 0.000 0.988 324 D CA 1.401 55.238 54.000 -0.272 0.000 0.864 324 D CB -0.169 40.429 40.800 -0.337 0.000 0.928 324 D HN 0.470 nan 8.370 nan 0.000 0.469 325 Y N 0.236 120.516 120.300 -0.034 0.000 2.201 325 Y HA -0.034 4.681 4.550 0.275 0.000 0.292 325 Y C 0.981 176.888 175.900 0.011 0.000 1.119 325 Y CA 0.137 58.232 58.100 -0.008 0.000 1.127 325 Y CB 0.229 38.679 38.460 -0.016 0.000 1.019 325 Y HN -0.050 nan 8.280 nan 0.000 0.514 326 Q N -0.673 119.227 119.800 0.168 0.000 2.685 326 Q HA 0.710 5.215 4.340 0.275 0.000 0.301 326 Q C -1.505 174.505 176.000 0.015 0.000 0.924 326 Q CA -1.077 54.788 55.803 0.103 0.000 0.755 326 Q CB 1.443 30.270 28.738 0.147 0.000 1.470 326 Q HN 0.071 nan 8.270 nan 0.000 0.434 327 A N 0.445 123.241 122.820 -0.040 0.000 2.337 327 A HA 0.813 5.299 4.320 0.275 0.000 0.331 327 A C -1.425 176.086 177.584 -0.123 0.000 1.137 327 A CA -0.708 51.254 52.037 -0.125 0.000 0.807 327 A CB 1.030 19.901 19.000 -0.216 0.000 1.250 327 A HN 0.651 nan 8.150 nan 0.000 0.468 328 L N 1.903 123.030 121.223 -0.160 0.000 2.305 328 L HA 0.731 5.236 4.340 0.275 0.000 0.284 328 L C 0.141 176.923 176.870 -0.146 0.000 1.013 328 L CA -0.209 54.535 54.840 -0.161 0.000 0.819 328 L CB 1.091 42.983 42.059 -0.278 0.000 1.227 328 L HN 0.807 nan 8.230 nan 0.000 0.417 329 A N 6.552 129.297 122.820 -0.126 0.000 2.274 329 A HA 0.658 5.143 4.320 0.275 0.000 0.309 329 A C -0.381 177.173 177.584 -0.051 0.000 1.226 329 A CA -0.448 51.532 52.037 -0.095 0.000 0.853 329 A CB 0.061 18.999 19.000 -0.103 0.000 1.146 329 A HN 0.715 nan 8.150 nan 0.000 0.518 330 I N 4.270 124.812 120.570 -0.047 0.000 2.291 330 I HA 0.158 4.493 4.170 0.275 0.000 0.290 330 I C -0.183 175.857 176.117 -0.128 0.000 1.050 330 I CA -0.121 61.137 61.300 -0.069 0.000 1.245 330 I CB 0.603 38.564 38.000 -0.065 0.000 1.405 330 I HN 0.534 nan 8.210 nan 0.000 0.478 331 L N 8.037 129.184 121.223 -0.126 0.000 2.467 331 L HA 0.264 4.769 4.340 0.275 0.000 0.270 331 L C -2.083 174.503 176.870 -0.473 0.000 1.205 331 L CA -1.652 53.033 54.840 -0.259 0.000 0.828 331 L CB -0.106 41.893 42.059 -0.100 0.000 1.101 331 L HN 0.285 nan 8.230 nan 0.000 0.479 332 P HA 0.097 nan 4.420 nan 0.000 0.274 332 P C -0.430 176.423 177.300 -0.745 0.000 1.231 332 P CA -0.319 62.216 63.100 -0.941 0.000 0.790 332 P CB 0.526 31.311 31.700 -1.526 0.000 0.951 333 L N 1.959 122.914 121.223 -0.447 0.000 2.480 333 L HA 0.153 4.658 4.340 0.275 0.000 0.243 333 L C 0.469 177.515 176.870 0.294 0.000 1.315 333 L CA -0.535 54.184 54.840 -0.201 0.000 1.231 333 L CB -0.636 41.174 42.059 -0.415 0.000 1.444 333 L HN 0.312 nan 8.230 nan 0.000 0.409 334 W N 1.765 123.265 121.300 0.333 0.000 2.377 334 W HA -0.020 4.807 4.660 0.278 0.000 0.341 334 W C 0.725 177.481 176.519 0.396 0.000 1.240 334 W CA 0.192 57.666 57.345 0.215 0.000 1.311 334 W CB -0.195 29.286 29.460 0.035 0.000 1.175 334 W HN 0.544 nan 8.180 nan 0.000 0.571 335 H N -2.619 116.707 119.070 0.426 0.000 2.990 335 H HA 0.255 4.977 4.556 0.276 0.000 0.343 335 H C 0.961 176.394 175.328 0.175 0.000 1.270 335 H CA -0.402 55.817 56.048 0.284 0.000 1.118 335 H CB 0.622 30.577 29.762 0.323 0.000 1.861 335 H HN 0.424 nan 8.280 nan 0.000 0.544 336 H N -0.536 118.643 119.070 0.182 0.000 2.352 336 H HA -0.126 4.595 4.556 0.276 0.000 0.299 336 H C 0.382 175.752 175.328 0.070 0.000 1.097 336 H CA 1.585 57.686 56.048 0.089 0.000 1.311 336 H CB -0.072 29.744 29.762 0.089 0.000 1.377 336 H HN 0.717 nan 8.280 nan 0.000 0.504 337 D N 1.070 121.161 120.400 -0.515 0.000 2.460 337 D HA 0.028 4.833 4.640 0.275 0.000 0.229 337 D C -0.367 175.834 176.300 -0.164 0.000 1.170 337 D CA -0.198 53.655 54.000 -0.244 0.000 0.827 337 D CB -0.658 40.013 40.800 -0.215 0.000 0.973 337 D HN 0.696 nan 8.370 nan 0.000 0.496 338 D N -0.643 119.517 120.400 -0.401 0.000 2.348 338 D HA 0.192 4.997 4.640 0.275 0.000 0.249 338 D C 0.627 176.905 176.300 -0.035 0.000 1.110 338 D CA -0.617 53.176 54.000 -0.345 0.000 0.967 338 D CB 0.997 41.469 40.800 -0.546 0.000 1.139 338 D HN -0.087 nan 8.370 nan 0.000 0.466 339 T N -2.632 111.957 114.554 0.058 0.000 3.293 339 T HA 0.141 4.657 4.350 0.275 0.000 0.276 339 T C -0.122 174.673 174.700 0.160 0.000 1.003 339 T CA -0.678 61.480 62.100 0.097 0.000 0.916 339 T CB -1.144 67.767 68.868 0.072 0.000 1.134 339 T HN 0.405 nan 8.240 nan 0.000 0.530 340 Y N 2.025 122.392 120.300 0.111 0.000 2.346 340 Y HA 0.417 5.132 4.550 0.275 0.000 0.330 340 Y C 0.519 176.551 175.900 0.221 0.000 1.178 340 Y CA -1.179 57.036 58.100 0.192 0.000 1.331 340 Y CB 0.582 39.238 38.460 0.327 0.000 1.253 340 Y HN 0.234 nan 8.280 nan 0.000 0.529 341 L N 8.646 129.753 121.223 -0.195 0.000 2.583 341 L HA 0.048 4.553 4.340 0.275 0.000 0.239 341 L C 1.076 178.010 176.870 0.107 0.000 1.347 341 L CA 0.090 54.902 54.840 -0.047 0.000 1.246 341 L CB -0.920 41.059 42.059 -0.133 0.000 1.496 341 L HN 0.794 nan 8.230 nan 0.000 0.413 342 F N 1.186 121.265 119.950 0.215 0.000 2.075 342 F HA -0.230 4.462 4.527 0.275 0.000 0.297 342 F C 2.009 177.874 175.800 0.108 0.000 1.113 342 F CA 1.760 59.921 58.000 0.268 0.000 1.218 342 F CB 0.344 39.418 39.000 0.124 0.000 0.984 342 F HN 0.404 nan 8.300 nan 0.000 0.472 343 D N -0.134 120.297 120.400 0.051 0.000 2.123 343 D HA -0.177 4.628 4.640 0.275 0.000 0.196 343 D C 2.444 178.691 176.300 -0.088 0.000 0.992 343 D CA 1.682 55.640 54.000 -0.071 0.000 0.833 343 D CB -0.574 40.243 40.800 0.028 0.000 0.954 343 D HN 0.237 nan 8.370 nan 0.000 0.455 344 S N 0.150 115.829 115.700 -0.034 0.000 2.383 344 S HA -0.087 4.548 4.470 0.275 0.000 0.227 344 S C 1.764 176.337 174.600 -0.045 0.000 1.026 344 S CA 0.145 58.325 58.200 -0.035 0.000 0.981 344 S CB -0.154 63.034 63.200 -0.020 0.000 0.818 344 S HN 0.159 nan 8.310 nan 0.000 0.472 345 L N 2.206 123.405 121.223 -0.041 0.000 1.970 345 L HA -0.036 4.470 4.340 0.275 0.000 0.212 345 L C 1.925 178.747 176.870 -0.080 0.000 1.071 345 L CA 1.798 56.634 54.840 -0.007 0.000 0.751 345 L CB -0.836 41.295 42.059 0.120 0.000 0.889 345 L HN 0.287 nan 8.230 nan 0.000 0.432 346 L N -0.966 120.127 121.223 -0.217 0.000 2.083 346 L HA -0.181 4.324 4.340 0.275 0.000 0.209 346 L C 2.722 179.518 176.870 -0.125 0.000 1.083 346 L CA 1.231 55.942 54.840 -0.215 0.000 0.752 346 L CB -0.553 41.287 42.059 -0.366 0.000 0.899 346 L HN 0.286 nan 8.230 nan 0.000 0.433 347 R N 0.749 121.183 120.500 -0.109 0.000 2.115 347 R HA -0.106 4.399 4.340 0.275 0.000 0.226 347 R C 2.162 178.421 176.300 -0.068 0.000 1.100 347 R CA 1.350 57.406 56.100 -0.074 0.000 0.980 347 R CB -0.067 30.199 30.300 -0.057 0.000 0.875 347 R HN 0.200 nan 8.270 nan 0.000 0.445 348 K N -0.365 119.994 120.400 -0.069 0.000 2.097 348 K HA -0.015 4.470 4.320 0.275 0.000 0.205 348 K C 1.931 178.457 176.600 -0.123 0.000 1.050 348 K CA 1.520 57.759 56.287 -0.080 0.000 0.938 348 K CB -0.093 32.370 32.500 -0.060 0.000 0.718 348 K HN 0.173 nan 8.250 nan 0.000 0.442 349 I N 1.139 121.639 120.570 -0.118 0.000 2.252 349 I HA -0.254 4.082 4.170 0.275 0.000 0.245 349 I C 2.046 178.121 176.117 -0.070 0.000 1.102 349 I CA 1.329 62.558 61.300 -0.118 0.000 1.385 349 I CB -0.221 37.759 38.000 -0.034 0.000 1.064 349 I HN 0.204 nan 8.210 nan 0.000 0.414 350 E N 0.799 120.963 120.200 -0.059 0.000 2.077 350 E HA -0.240 4.275 4.350 0.275 0.000 0.193 350 E C 1.334 177.893 176.600 -0.069 0.000 0.989 350 E CA 1.482 57.852 56.400 -0.050 0.000 0.800 350 E CB -0.064 29.608 29.700 -0.046 0.000 0.746 350 E HN 0.454 nan 8.360 nan 0.000 0.452 351 D N -0.208 120.145 120.400 -0.080 0.000 2.355 351 D HA 0.024 4.830 4.640 0.275 0.000 0.218 351 D C 0.475 176.705 176.300 -0.117 0.000 1.004 351 D CA 0.178 54.127 54.000 -0.085 0.000 0.880 351 D CB 0.035 40.793 40.800 -0.070 0.000 0.911 351 D HN 0.088 nan 8.370 nan 0.000 0.528 352 M N 1.005 120.518 119.600 -0.145 0.000 2.248 352 M HA -0.041 4.604 4.480 0.275 0.000 0.343 352 M C -0.412 175.749 176.300 -0.232 0.000 1.243 352 M CA 0.164 55.342 55.300 -0.202 0.000 1.025 352 M CB 0.555 33.017 32.600 -0.231 0.000 1.759 352 M HN -0.115 nan 8.290 nan 0.000 0.452 353 I N 6.859 127.263 120.570 -0.276 0.000 2.328 353 I HA 0.379 4.715 4.170 0.275 0.000 0.287 353 I C -1.391 174.439 176.117 -0.478 0.000 1.012 353 I CA -0.249 60.873 61.300 -0.298 0.000 1.195 353 I CB 0.369 38.237 38.000 -0.219 0.000 1.350 353 I HN 0.563 nan 8.210 nan 0.000 0.464 354 L N 8.160 129.056 121.223 -0.544 0.000 2.334 354 L HA 0.683 5.188 4.340 0.275 0.000 0.272 354 L C -1.938 174.571 176.870 -0.601 0.000 1.020 354 L CA -1.878 52.434 54.840 -0.880 0.000 0.812 354 L CB 0.739 42.193 42.059 -1.008 0.000 1.264 354 L HN 0.412 nan 8.230 nan 0.000 0.439 355 P HA 0.146 nan 4.420 nan 0.000 0.273 355 P C -0.169 177.105 177.300 -0.044 0.000 1.250 355 P CA -0.473 62.471 63.100 -0.260 0.000 0.793 355 P CB 0.560 32.167 31.700 -0.155 0.000 1.011 356 K N 0.188 120.638 120.400 0.084 0.000 2.555 356 K HA -0.046 4.439 4.320 0.275 0.000 0.193 356 K C -0.035 176.643 176.600 0.131 0.000 1.032 356 K CA 0.286 56.625 56.287 0.086 0.000 1.004 356 K CB -0.271 32.269 32.500 0.068 0.000 0.804 356 K HN 0.392 nan 8.250 nan 0.000 0.496 357 K N 0.367 120.935 120.400 0.281 0.000 6.462 357 K HA -0.168 4.317 4.320 0.275 0.000 0.732 357 K C -1.191 175.520 176.600 0.186 0.000 2.476 357 K CA 0.313 56.728 56.287 0.213 0.000 1.838 357 K CB -0.501 31.946 32.500 -0.089 0.000 2.513 357 K HN 0.131 nan 8.250 nan 0.000 0.198 358 S N 1.527 117.340 115.700 0.188 0.000 2.973 358 S HA 0.840 5.476 4.470 0.275 0.000 0.317 358 S C -0.763 173.852 174.600 0.024 0.000 1.196 358 S CA -0.041 58.205 58.200 0.076 0.000 0.894 358 S CB 1.353 64.581 63.200 0.046 0.000 1.292 358 S HN 1.169 nan 8.310 nan 0.000 0.614 367 L N 2.190 123.391 121.223 -0.037 0.000 2.453 367 L HA 0.359 4.864 4.340 0.275 0.000 0.261 367 L C 0.339 177.223 176.870 0.023 0.000 1.179 367 L CA -0.815 53.988 54.840 -0.061 0.000 0.813 367 L CB 0.216 42.023 42.059 -0.421 0.000 1.110 367 L HN 0.535 nan 8.230 nan 0.000 0.466 368 L N 1.234 122.502 121.223 0.075 0.000 2.410 368 L HA 0.099 4.604 4.340 0.275 0.000 0.273 368 L C 1.055 177.998 176.870 0.121 0.000 1.144 368 L CA 0.687 55.561 54.840 0.055 0.000 0.863 368 L CB 0.973 43.037 42.059 0.009 0.000 1.140 368 L HN 0.797 nan 8.230 nan 0.000 0.463 369 T N -1.115 113.472 114.554 0.057 0.000 3.001 369 T HA 0.124 4.639 4.350 0.275 0.000 0.251 369 T C 0.794 175.451 174.700 -0.072 0.000 1.040 369 T CA 0.345 62.447 62.100 0.004 0.000 0.985 369 T CB -0.523 68.336 68.868 -0.015 0.000 1.011 369 T HN 0.735 nan 8.240 nan 0.000 0.509 370 T N 1.517 116.054 114.554 -0.028 0.000 2.860 370 T HA 0.308 4.824 4.350 0.275 0.000 0.299 370 T C 0.272 174.960 174.700 -0.021 0.000 1.045 370 T CA -0.841 61.248 62.100 -0.018 0.000 1.071 370 T CB 0.821 69.690 68.868 0.002 0.000 0.985 370 T HN 0.664 nan 8.240 nan 0.000 0.537 371 E N 0.574 120.779 120.200 0.008 0.000 2.391 371 E HA 0.523 5.039 4.350 0.275 0.000 0.255 371 E C 0.216 176.783 176.600 -0.054 0.000 1.187 371 E CA -1.125 55.279 56.400 0.006 0.000 0.941 371 E CB 0.256 30.030 29.700 0.124 0.000 1.010 371 E HN 1.013 nan 8.360 nan 0.000 0.458 372 G N 0.683 109.339 108.800 -0.240 0.000 2.655 372 G HA2 0.107 4.232 3.960 0.275 0.000 0.296 372 G HA3 0.107 4.232 3.960 0.275 0.000 0.296 372 G C -1.520 173.191 174.900 -0.316 0.000 1.485 372 G CA -0.895 44.107 45.100 -0.163 0.000 0.869 372 G HN 0.594 nan 8.290 nan 0.000 0.540 373 N N -0.268 118.399 118.700 -0.056 0.000 2.530 373 N HA 0.294 5.199 4.740 0.275 0.000 0.273 373 N C -1.317 174.300 175.510 0.179 0.000 1.173 373 N CA -0.082 53.028 53.050 0.100 0.000 0.967 373 N CB 1.204 39.786 38.487 0.157 0.000 1.109 373 N HN 0.510 nan 8.380 nan 0.000 0.453 374 Y N 2.347 122.659 120.300 0.019 0.000 2.376 374 Y HA 0.374 5.090 4.550 0.276 0.000 0.340 374 Y C -1.024 174.889 175.900 0.021 0.000 0.965 374 Y CA -0.767 57.356 58.100 0.038 0.000 1.078 374 Y CB 1.024 39.413 38.460 -0.119 0.000 1.193 374 Y HN 0.348 nan 8.280 nan 0.000 0.452 375 K N 7.538 127.569 120.400 -0.615 0.000 2.221 375 K HA 0.333 4.819 4.320 0.275 0.000 0.258 375 K C -2.405 173.745 176.600 -0.751 0.000 0.944 375 K CA -2.077 53.937 56.287 -0.455 0.000 0.823 375 K CB 1.872 34.242 32.500 -0.216 0.000 1.113 375 K HN 0.429 nan 8.250 nan 0.000 0.431 376 P HA -0.033 nan 4.420 nan 0.000 0.259 376 P C -0.347 176.910 177.300 -0.071 0.000 1.480 376 P CA 0.189 63.245 63.100 -0.072 0.000 0.842 376 P CB 0.076 31.849 31.700 0.121 0.000 1.513 382 V N -1.268 118.684 119.914 0.064 0.000 3.130 382 V HA 1.030 5.315 4.120 0.275 0.000 0.310 382 V C -0.824 175.227 176.094 -0.071 0.000 1.158 382 V CA -0.735 61.535 62.300 -0.051 0.000 1.029 382 V CB 2.074 33.806 31.823 -0.153 0.000 1.057 382 V HN 0.886 nan 8.190 nan 0.000 0.436 383 T N 0.888 115.352 114.554 -0.149 0.000 2.942 383 T HA 0.532 5.047 4.350 0.275 0.000 0.327 383 T C -2.095 172.506 174.700 -0.165 0.000 1.360 383 T CA -0.334 61.705 62.100 -0.100 0.000 1.055 383 T CB 1.250 70.121 68.868 0.006 0.000 1.261 383 T HN 0.777 nan 8.240 nan 0.000 0.485 384 W N 2.889 124.202 121.300 0.022 0.000 2.287 384 W HA 0.583 5.409 4.660 0.276 0.000 0.313 384 W C 0.534 177.062 176.519 0.016 0.000 1.267 384 W CA -0.345 57.011 57.345 0.019 0.000 1.201 384 W CB 0.665 30.135 29.460 0.017 0.000 1.196 384 W HN 0.645 nan 8.180 nan 0.000 0.536 385 C N 4.954 124.389 119.300 0.224 0.000 2.563 385 C HA 0.357 4.983 4.460 0.275 0.000 0.314 385 C C -0.127 174.942 174.990 0.131 0.000 1.199 385 C CA -0.883 58.215 59.018 0.133 0.000 1.564 385 C CB 0.270 28.053 27.740 0.072 0.000 2.173 385 C HN 0.599 nan 8.230 nan 0.000 0.485 386 D N 3.587 124.043 120.400 0.094 0.000 2.488 386 D HA 0.042 4.847 4.640 0.275 0.000 0.238 386 D C 1.326 177.663 176.300 0.062 0.000 1.138 386 D CA 0.349 54.392 54.000 0.072 0.000 0.873 386 D CB 0.854 41.683 40.800 0.048 0.000 1.183 386 D HN 0.588 nan 8.370 nan 0.000 0.458 387 L N 2.407 123.665 121.223 0.058 0.000 1.990 387 L HA -0.277 4.229 4.340 0.275 0.000 0.213 387 L C 2.339 179.227 176.870 0.030 0.000 1.072 387 L CA 1.616 56.483 54.840 0.046 0.000 0.755 387 L CB -0.308 41.773 42.059 0.037 0.000 0.889 387 L HN 0.393 nan 8.230 nan 0.000 0.432 388 K N 0.026 120.441 120.400 0.025 0.000 2.160 388 K HA -0.222 4.263 4.320 0.275 0.000 0.206 388 K C 1.724 178.335 176.600 0.019 0.000 1.047 388 K CA 1.518 57.815 56.287 0.018 0.000 0.930 388 K CB -0.100 32.409 32.500 0.015 0.000 0.720 388 K HN 0.282 nan 8.250 nan 0.000 0.450 389 K N -0.648 119.767 120.400 0.025 0.000 2.358 389 K HA 0.168 4.653 4.320 0.275 0.000 0.197 389 K C 1.103 177.717 176.600 0.024 0.000 1.025 389 K CA 0.151 56.452 56.287 0.023 0.000 1.104 389 K CB 0.989 33.504 32.500 0.026 0.000 0.855 389 K HN 0.055 nan 8.250 nan 0.000 0.531 390 A N 1.108 123.944 122.820 0.027 0.000 2.308 390 A HA 0.057 4.542 4.320 0.275 0.000 0.217 390 A C 0.605 178.200 177.584 0.019 0.000 1.216 390 A CA -0.038 52.014 52.037 0.026 0.000 0.864 390 A CB -0.037 18.984 19.000 0.036 0.000 0.902 390 A HN 0.108 nan 8.150 nan 0.000 0.499 391 K N -0.236 120.173 120.400 0.016 0.000 2.436 391 K HA 0.333 4.818 4.320 0.275 0.000 0.275 391 K C 1.194 177.801 176.600 0.013 0.000 0.999 391 K CA 0.982 57.277 56.287 0.013 0.000 0.980 391 K CB 0.027 32.533 32.500 0.011 0.000 0.919 391 K HN 0.684 nan 8.250 nan 0.000 0.484 392 G N 2.367 111.175 108.800 0.014 0.000 2.184 392 G HA2 -0.277 3.849 3.960 0.275 0.000 0.264 392 G HA3 -0.277 3.849 3.960 0.275 0.000 0.264 392 G C -0.285 174.622 174.900 0.012 0.000 0.975 392 G CA 0.548 45.657 45.100 0.014 0.000 0.642 392 G HN 0.566 nan 8.290 nan 0.000 0.536 393 K N -0.297 120.109 120.400 0.010 0.000 2.185 393 K HA 0.660 5.145 4.320 0.275 0.000 0.240 393 K C 0.000 176.602 176.600 0.003 0.000 0.983 393 K CA -0.877 55.413 56.287 0.005 0.000 0.873 393 K CB 2.432 34.934 32.500 0.003 0.000 1.118 393 K HN 0.012 nan 8.250 nan 0.000 0.441 394 V N 2.639 122.548 119.914 -0.008 0.000 2.432 394 V HA 0.083 4.368 4.120 0.275 0.000 0.275 394 V C -0.061 176.024 176.094 -0.015 0.000 1.043 394 V CA -0.737 61.554 62.300 -0.015 0.000 0.925 394 V CB 0.874 32.676 31.823 -0.036 0.000 0.985 394 V HN 0.499 nan 8.190 nan 0.000 0.466 395 L N 5.160 126.386 121.223 0.005 0.000 2.410 395 L HA 0.438 4.943 4.340 0.275 0.000 0.273 395 L C 1.009 177.877 176.870 -0.004 0.000 1.152 395 L CA 0.866 55.713 54.840 0.012 0.000 0.855 395 L CB 1.051 43.146 42.059 0.060 0.000 1.129 395 L HN 0.740 nan 8.230 nan 0.000 0.463 396 A N 5.994 128.782 122.820 -0.053 0.000 2.390 396 A HA 0.370 4.855 4.320 0.275 0.000 0.232 396 A C 0.722 178.243 177.584 -0.104 0.000 1.233 396 A CA -0.156 51.831 52.037 -0.083 0.000 0.907 396 A CB -0.003 18.918 19.000 -0.131 0.000 0.967 396 A HN 0.691 nan 8.150 nan 0.000 0.512 397 R N 0.042 120.497 120.500 -0.076 0.000 2.594 397 R HA 0.315 4.820 4.340 0.275 0.000 0.265 397 R C -1.439 174.889 176.300 0.048 0.000 1.070 397 R CA -0.720 55.328 56.100 -0.086 0.000 0.909 397 R CB 0.658 30.885 30.300 -0.121 0.000 1.243 397 R HN 0.398 nan 8.270 nan 0.000 0.455 398 H N 3.472 122.577 119.070 0.059 0.000 2.972 398 H HA 0.092 4.812 4.556 0.274 0.000 0.343 398 H C 0.211 175.547 175.328 0.013 0.000 1.054 398 H CA 0.532 56.593 56.048 0.021 0.000 1.412 398 H CB 0.388 30.161 29.762 0.018 0.000 1.385 398 H HN 0.367 nan 8.280 nan 0.000 0.600 399 I N 3.167 123.794 120.570 0.095 0.000 2.304 399 I HA 0.110 4.446 4.170 0.275 0.000 0.291 399 I C -0.198 175.924 176.117 0.008 0.000 1.018 399 I CA -0.512 60.831 61.300 0.072 0.000 1.260 399 I CB 0.957 38.996 38.000 0.065 0.000 1.390 399 I HN 0.104 nan 8.210 nan 0.000 0.475 400 V N 8.560 128.502 119.914 0.046 0.000 2.357 400 V HA 0.307 4.592 4.120 0.275 0.000 0.281 400 V C -2.263 173.794 176.094 -0.062 0.000 1.015 400 V CA -1.568 60.706 62.300 -0.044 0.000 0.827 400 V CB 1.410 33.244 31.823 0.020 0.000 1.018 400 V HN 0.571 nan 8.190 nan 0.000 0.432 401 P HA 0.362 nan 4.420 nan 0.000 0.284 401 P C -1.427 175.652 177.300 -0.369 0.000 1.253 401 P CA -0.374 62.548 63.100 -0.296 0.000 0.800 401 P CB 0.832 32.118 31.700 -0.691 0.000 0.961 402 Y N 3.470 123.634 120.300 -0.226 0.000 2.388 402 Y HA 0.325 5.040 4.550 0.275 0.000 0.328 402 Y C -1.610 174.154 175.900 -0.228 0.000 0.963 402 Y CA -2.116 55.872 58.100 -0.186 0.000 1.240 402 Y CB 1.473 39.860 38.460 -0.121 0.000 1.118 402 Y HN 0.314 nan 8.280 nan 0.000 0.484 403 P HA 0.240 nan 4.420 nan 0.000 0.278 403 P C -2.522 174.577 177.300 -0.335 0.000 1.266 403 P CA -2.074 60.834 63.100 -0.319 0.000 0.807 403 P CB 1.532 32.866 31.700 -0.609 0.000 1.094 404 P HA 0.148 nan 4.420 nan 0.000 0.263 404 P C 0.686 177.792 177.300 -0.323 0.000 1.448 404 P CA 0.165 63.074 63.100 -0.318 0.000 0.983 404 P CB -0.240 31.166 31.700 -0.490 0.000 1.481 405 G N 0.959 109.363 108.800 -0.660 0.000 2.221 405 G HA2 -0.229 3.897 3.960 0.275 0.000 0.265 405 G HA3 -0.229 3.897 3.960 0.275 0.000 0.265 405 G C -0.102 174.532 174.900 -0.443 0.000 1.041 405 G CA 0.400 44.857 45.100 -1.072 0.000 0.807 405 G HN 0.490 nan 8.290 nan 0.000 0.502 406 I N -3.452 116.949 120.570 -0.282 0.000 2.892 406 I HA 0.869 5.204 4.170 0.275 0.000 0.306 406 I C -2.765 173.258 176.117 -0.156 0.000 1.078 406 I CA -4.045 57.194 61.300 -0.102 0.000 1.032 406 I CB 1.447 39.497 38.000 0.084 0.000 1.229 406 I HN -0.142 nan 8.210 nan 0.000 0.435 407 P HA 0.355 nan 4.420 nan 0.000 0.276 407 P C 0.557 177.596 177.300 -0.434 0.000 1.235 407 P CA -0.198 62.639 63.100 -0.439 0.000 0.772 407 P CB 0.682 31.829 31.700 -0.922 0.000 0.871 408 I N 0.558 120.943 120.570 -0.308 0.000 3.265 408 I HA 0.303 4.638 4.170 0.275 0.000 0.282 408 I C 0.295 176.208 176.117 -0.340 0.000 1.207 408 I CA 0.698 61.896 61.300 -0.170 0.000 1.449 408 I CB 0.084 38.094 38.000 0.017 0.000 1.121 408 I HN 0.040 nan 8.210 nan 0.000 0.442 409 I N 0.714 121.036 120.570 -0.414 0.000 2.534 409 I HA 0.400 4.735 4.170 0.275 0.000 0.288 409 I C -1.147 174.752 176.117 -0.364 0.000 1.077 409 I CA -0.513 60.585 61.300 -0.336 0.000 1.051 409 I CB 1.926 39.861 38.000 -0.110 0.000 1.234 409 I HN -0.120 nan 8.210 nan 0.000 0.425 410 F N 3.879 123.760 119.950 -0.115 0.000 2.403 410 F HA 0.408 5.102 4.527 0.278 0.000 0.326 410 F C 0.719 176.690 175.800 0.285 0.000 1.081 410 F CA -0.722 57.312 58.000 0.056 0.000 1.041 410 F CB 1.006 40.019 39.000 0.021 0.000 1.234 410 F HN 0.356 nan 8.300 nan 0.000 0.503 411 K N 0.689 121.495 120.400 0.678 0.000 2.401 411 K HA 0.469 4.955 4.320 0.275 0.000 0.278 411 K C 0.720 177.507 176.600 0.313 0.000 1.018 411 K CA 0.541 57.036 56.287 0.347 0.000 0.981 411 K CB 0.507 33.112 32.500 0.175 0.000 0.933 411 K HN 0.898 nan 8.250 nan 0.000 0.477 412 G N 1.979 110.823 108.800 0.074 0.000 2.238 412 G HA2 -0.225 3.900 3.960 0.275 0.000 0.217 412 G HA3 -0.225 3.900 3.960 0.275 0.000 0.217 412 G C -0.357 174.486 174.900 -0.096 0.000 0.996 412 G CA -0.130 44.833 45.100 -0.229 0.000 0.632 412 G HN 0.680 nan 8.290 nan 0.000 0.503 413 E N 1.157 121.443 120.200 0.144 0.000 2.373 413 E HA 0.452 4.967 4.350 0.275 0.000 0.263 413 E C -0.223 176.420 176.600 0.072 0.000 1.073 413 E CA 0.126 56.626 56.400 0.167 0.000 0.894 413 E CB 0.687 30.515 29.700 0.213 0.000 1.008 413 E HN 0.138 nan 8.360 nan 0.000 0.420 414 T N 2.683 117.275 114.554 0.063 0.000 2.780 414 T HA 0.272 4.788 4.350 0.275 0.000 0.294 414 T C 0.472 175.194 174.700 0.037 0.000 0.949 414 T CA -0.417 61.706 62.100 0.039 0.000 1.074 414 T CB 0.162 69.052 68.868 0.036 0.000 0.910 414 T HN 0.251 nan 8.240 nan 0.000 0.501 415 I N 4.098 124.684 120.570 0.026 0.000 2.556 415 I HA 0.207 4.542 4.170 0.275 0.000 0.284 415 I C 1.325 177.451 176.117 0.015 0.000 1.114 415 I CA -0.187 61.124 61.300 0.020 0.000 1.418 415 I CB 0.592 38.603 38.000 0.018 0.000 1.394 415 I HN 0.686 nan 8.210 nan 0.000 0.552 416 T N 0.621 115.181 114.554 0.009 0.000 2.940 416 T HA 0.356 4.871 4.350 0.275 0.000 0.288 416 T C 0.804 175.503 174.700 -0.002 0.000 1.045 416 T CA -0.787 61.317 62.100 0.007 0.000 1.018 416 T CB 1.686 70.558 68.868 0.008 0.000 1.151 416 T HN 0.605 nan 8.240 nan 0.000 0.529 417 E N 0.740 120.940 120.200 -0.001 0.000 2.049 417 E HA -0.221 4.295 4.350 0.275 0.000 0.198 417 E C 1.965 178.554 176.600 -0.018 0.000 1.007 417 E CA 1.693 58.089 56.400 -0.007 0.000 0.809 417 E CB -0.208 29.490 29.700 -0.003 0.000 0.749 417 E HN 0.570 nan 8.360 nan 0.000 0.450 418 N N 0.520 119.209 118.700 -0.019 0.000 2.104 418 N HA -0.168 4.737 4.740 0.275 0.000 0.190 418 N C 1.831 177.308 175.510 -0.055 0.000 1.024 418 N CA 1.338 54.369 53.050 -0.032 0.000 0.853 418 N CB -0.274 38.201 38.487 -0.021 0.000 1.008 418 N HN 0.206 nan 8.380 nan 0.000 0.424 419 M N 0.357 119.929 119.600 -0.047 0.000 2.086 419 M HA -0.063 4.582 4.480 0.275 0.000 0.261 419 M C 2.031 178.282 176.300 -0.080 0.000 1.067 419 M CA 1.307 56.568 55.300 -0.065 0.000 1.116 419 M CB -0.338 32.239 32.600 -0.037 0.000 1.348 419 M HN 0.041 nan 8.290 nan 0.000 0.407 420 I N -0.096 120.444 120.570 -0.050 0.000 2.208 420 I HA -0.281 4.054 4.170 0.275 0.000 0.245 420 I C 2.432 178.509 176.117 -0.068 0.000 1.097 420 I CA 1.232 62.506 61.300 -0.043 0.000 1.363 420 I CB -0.541 37.448 38.000 -0.018 0.000 1.051 420 I HN 0.337 nan 8.210 nan 0.000 0.413 421 E N 0.617 120.774 120.200 -0.073 0.000 2.017 421 E HA -0.263 4.252 4.350 0.275 0.000 0.193 421 E C 2.217 178.732 176.600 -0.142 0.000 0.997 421 E CA 1.285 57.637 56.400 -0.081 0.000 0.804 421 E CB -0.488 29.174 29.700 -0.063 0.000 0.757 421 E HN 0.324 nan 8.360 nan 0.000 0.448 422 L N 1.258 122.359 121.223 -0.203 0.000 2.081 422 L HA -0.183 4.322 4.340 0.275 0.000 0.212 422 L C 2.345 178.834 176.870 -0.636 0.000 1.080 422 L CA 1.281 55.889 54.840 -0.386 0.000 0.754 422 L CB -0.239 41.584 42.059 -0.392 0.000 0.893 422 L HN -0.081 nan 8.230 nan 0.000 0.433 423 V N -0.206 119.457 119.914 -0.419 0.000 2.427 423 V HA -0.237 4.048 4.120 0.275 0.000 0.248 423 V C 2.335 178.368 176.094 -0.101 0.000 1.051 423 V CA 1.772 63.906 62.300 -0.278 0.000 1.048 423 V CB -0.901 30.874 31.823 -0.080 0.000 0.666 423 V HN 0.494 nan 8.190 nan 0.000 0.456 424 N N 0.209 118.859 118.700 -0.083 0.000 2.142 424 N HA -0.144 4.762 4.740 0.275 0.000 0.186 424 N C 1.859 177.361 175.510 -0.013 0.000 1.023 424 N CA 1.310 54.345 53.050 -0.025 0.000 0.852 424 N CB -0.237 38.236 38.487 -0.023 0.000 0.998 424 N HN 0.577 nan 8.380 nan 0.000 0.424 425 E N -0.096 120.068 120.200 -0.061 0.000 2.070 425 E HA -0.201 4.314 4.350 0.275 0.000 0.197 425 E C 1.794 178.448 176.600 0.089 0.000 1.004 425 E CA 1.033 57.423 56.400 -0.017 0.000 0.805 425 E CB -0.276 29.388 29.700 -0.061 0.000 0.744 425 E HN 0.553 nan 8.360 nan 0.000 0.451 426 Y N 0.739 121.037 120.300 -0.003 0.000 2.053 426 Y HA -0.288 4.427 4.550 0.275 0.000 0.277 426 Y C 2.500 178.401 175.900 0.001 0.000 1.159 426 Y CA 0.582 58.681 58.100 -0.002 0.000 1.125 426 Y CB -0.265 38.194 38.460 -0.000 0.000 0.969 426 Y HN 0.043 nan 8.280 nan 0.000 0.492 427 L N -0.131 121.201 121.223 0.182 0.000 2.083 427 L HA -0.224 4.281 4.340 0.275 0.000 0.209 427 L C 2.408 179.314 176.870 0.060 0.000 1.083 427 L CA 1.254 56.153 54.840 0.098 0.000 0.752 427 L CB -0.520 41.583 42.059 0.073 0.000 0.899 427 L HN 0.299 nan 8.230 nan 0.000 0.433 428 E N -0.039 120.193 120.200 0.054 0.000 2.153 428 E HA -0.206 4.310 4.350 0.275 0.000 0.194 428 E C 1.791 178.413 176.600 0.035 0.000 0.988 428 E CA 1.778 58.199 56.400 0.034 0.000 0.811 428 E CB 0.135 29.850 29.700 0.025 0.000 0.746 428 E HN 0.563 nan 8.360 nan 0.000 0.466 429 T N -2.978 111.608 114.554 0.052 0.000 3.100 429 T HA 0.218 4.733 4.350 0.275 0.000 0.253 429 T C 1.340 176.056 174.700 0.028 0.000 1.118 429 T CA 0.405 62.530 62.100 0.042 0.000 1.058 429 T CB 0.599 69.502 68.868 0.059 0.000 0.953 429 T HN 0.273 nan 8.240 nan 0.000 0.515 430 G N 1.655 110.472 108.800 0.029 0.000 2.137 430 G HA2 -0.252 3.874 3.960 0.275 0.000 0.237 430 G HA3 -0.252 3.874 3.960 0.275 0.000 0.237 430 G C -0.023 174.876 174.900 -0.000 0.000 1.002 430 G CA -0.076 45.031 45.100 0.011 0.000 0.702 430 G HN 0.541 nan 8.290 nan 0.000 0.515 431 M N 0.951 120.555 119.600 0.006 0.000 2.188 431 M HA 0.330 4.976 4.480 0.275 0.000 0.354 431 M C 0.807 177.094 176.300 -0.020 0.000 1.342 431 M CA -0.477 54.803 55.300 -0.034 0.000 1.117 431 M CB 0.498 33.037 32.600 -0.101 0.000 1.670 431 M HN -0.000 nan 8.290 nan 0.000 0.466 432 I N 4.380 124.939 120.570 -0.019 0.000 2.710 432 I HA 0.053 4.388 4.170 0.275 0.000 0.286 432 I C 0.138 176.290 176.117 0.058 0.000 1.181 432 I CA 0.044 61.343 61.300 -0.001 0.000 1.430 432 I CB -0.071 37.895 38.000 -0.056 0.000 1.367 432 I HN 0.476 nan 8.210 nan 0.000 0.577 433 V N 3.367 123.325 119.914 0.073 0.000 2.555 433 V HA 0.508 4.793 4.120 0.275 0.000 0.283 433 V C -0.328 175.844 176.094 0.130 0.000 1.020 433 V CA -0.897 61.471 62.300 0.113 0.000 0.883 433 V CB 0.986 32.886 31.823 0.128 0.000 1.030 433 V HN 0.707 nan 8.190 nan 0.000 0.448 434 E N 2.791 123.100 120.200 0.182 0.000 2.349 434 E HA 0.633 5.148 4.350 0.275 0.000 0.265 434 E C 1.183 177.894 176.600 0.186 0.000 1.064 434 E CA 0.189 56.692 56.400 0.172 0.000 0.886 434 E CB 1.414 31.244 29.700 0.216 0.000 1.036 434 E HN 1.442 nan 8.360 nan 0.000 0.413 435 G N 1.829 110.760 108.800 0.218 0.000 2.176 435 G HA2 -0.252 3.874 3.960 0.275 0.000 0.253 435 G HA3 -0.252 3.874 3.960 0.275 0.000 0.253 435 G C 0.050 175.162 174.900 0.353 0.000 0.979 435 G CA -0.141 45.116 45.100 0.262 0.000 0.641 435 G HN 0.412 nan 8.290 nan 0.000 0.530 436 I N 0.038 120.774 120.570 0.277 0.000 2.533 436 I HA 0.543 4.878 4.170 0.275 0.000 0.290 436 I C -0.323 175.807 176.117 0.022 0.000 1.056 436 I CA -0.812 60.622 61.300 0.223 0.000 1.057 436 I CB 2.229 40.317 38.000 0.146 0.000 1.240 436 I HN -0.064 nan 8.210 nan 0.000 0.423 437 K N 4.625 124.908 120.400 -0.196 0.000 2.498 437 K HA 0.384 4.869 4.320 0.275 0.000 0.254 437 K C -0.637 175.766 176.600 -0.327 0.000 0.933 437 K CA -0.937 55.106 56.287 -0.406 0.000 0.806 437 K CB 1.748 33.724 32.500 -0.874 0.000 1.301 437 K HN 0.554 nan 8.250 nan 0.000 0.432 438 N N 2.687 121.254 118.700 -0.221 0.000 2.716 438 N HA -0.259 4.647 4.740 0.275 0.000 0.250 438 N C -0.725 174.739 175.510 -0.076 0.000 1.033 438 N CA 0.927 53.889 53.050 -0.145 0.000 0.727 438 N CB -1.314 37.067 38.487 -0.177 0.000 0.950 438 N HN 0.924 nan 8.380 nan 0.000 0.541 439 N N -1.634 117.041 118.700 -0.042 0.000 2.721 439 N HA -0.213 4.692 4.740 0.275 0.000 0.249 439 N C -0.677 174.860 175.510 0.045 0.000 1.072 439 N CA 1.364 54.419 53.050 0.008 0.000 0.710 439 N CB -0.399 38.092 38.487 0.007 0.000 0.993 439 N HN 0.605 nan 8.380 nan 0.000 0.547 440 K N 0.182 120.627 120.400 0.075 0.000 2.395 440 K HA 0.681 5.166 4.320 0.275 0.000 0.247 440 K C -0.445 176.381 176.600 0.378 0.000 0.973 440 K CA -0.613 55.792 56.287 0.196 0.000 0.828 440 K CB 2.459 35.096 32.500 0.227 0.000 1.272 440 K HN 0.097 nan 8.250 nan 0.000 0.439 441 I N 1.883 122.673 120.570 0.366 0.000 2.569 441 I HA 0.293 4.628 4.170 0.275 0.000 0.296 441 I C -1.359 174.818 176.117 0.100 0.000 1.028 441 I CA -1.287 60.185 61.300 0.287 0.000 1.082 441 I CB 1.377 39.461 38.000 0.140 0.000 1.264 441 I HN 0.442 nan 8.210 nan 0.000 0.429 442 L N 7.900 128.991 121.223 -0.220 0.000 2.331 442 L HA 0.528 5.033 4.340 0.275 0.000 0.278 442 L C -0.714 176.007 176.870 -0.249 0.000 1.106 442 L CA 0.492 54.993 54.840 -0.564 0.000 0.824 442 L CB 1.066 42.601 42.059 -0.874 0.000 1.142 442 L HN 0.436 nan 8.230 nan 0.000 0.443 443 V N 0.000 119.791 119.914 -0.206 0.000 2.409 443 V HA 0.000 4.285 4.120 0.275 0.000 0.244 443 V CA 0.000 62.239 62.300 -0.102 0.000 1.235 443 V CB 0.000 31.794 31.823 -0.048 0.000 1.184 443 V HN 0.000 nan 8.190 nan 0.000 0.556