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 3izj_1_A DATA FIRST_RESID 1 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI AAIAALSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.090 176.094 -0.007 0.000 1.182 1 V CA 0.000 62.296 62.300 -0.007 0.000 1.235 1 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 2 L N 2.642 123.859 121.223 -0.010 0.000 2.375 2 L HA 0.475 4.815 4.340 0.000 0.000 0.271 2 L C -2.075 174.789 176.870 -0.011 0.000 1.107 2 L CA -1.503 53.331 54.840 -0.010 0.000 0.806 2 L CB 0.354 42.404 42.059 -0.015 0.000 1.146 2 L HN 0.137 nan 8.230 nan 0.000 0.447 3 P HA 0.028 nan 4.420 nan 0.000 0.265 3 P C -0.944 176.349 177.300 -0.012 0.000 1.187 3 P CA -0.198 62.897 63.100 -0.008 0.000 0.766 3 P CB 0.369 32.066 31.700 -0.004 0.000 0.820 4 E N 2.813 123.006 120.200 -0.011 0.000 2.417 4 E HA 0.075 4.425 4.350 0.000 0.000 0.261 4 E C 0.587 177.179 176.600 -0.013 0.000 1.000 4 E CA 0.593 56.984 56.400 -0.014 0.000 0.919 4 E CB -0.050 29.643 29.700 -0.012 0.000 0.955 4 E HN 0.347 nan 8.360 nan 0.000 0.455 5 N N 0.594 119.283 118.700 -0.019 0.000 2.990 5 N HA -0.178 4.563 4.740 0.000 0.000 0.163 5 N C -0.214 175.284 175.510 -0.020 0.000 1.452 5 N CA 0.524 53.564 53.050 -0.017 0.000 1.624 5 N CB -1.038 37.443 38.487 -0.009 0.000 1.088 5 N HN 0.552 nan 8.380 nan 0.000 0.695 6 M N 3.013 122.600 119.600 -0.020 0.000 2.248 6 M HA 0.045 4.525 4.480 0.000 0.000 0.345 6 M C 0.327 176.598 176.300 -0.048 0.000 1.243 6 M CA 0.413 55.700 55.300 -0.021 0.000 1.090 6 M CB 0.458 33.049 32.600 -0.015 0.000 1.683 6 M HN 0.100 nan 8.290 nan 0.000 0.450 7 K N 5.163 125.530 120.400 -0.056 0.000 2.164 7 K HA 0.599 4.919 4.320 0.000 0.000 0.258 7 K C -1.123 175.372 176.600 -0.174 0.000 0.951 7 K CA -0.958 55.245 56.287 -0.140 0.000 0.844 7 K CB 2.026 34.447 32.500 -0.132 0.000 1.099 7 K HN 0.792 nan 8.250 nan 0.000 0.435 8 R N 2.652 122.962 120.500 -0.316 0.000 2.673 8 R HA 0.306 4.646 4.340 0.000 0.000 0.281 8 R C -1.656 174.363 176.300 -0.467 0.000 0.991 8 R CA -0.670 55.279 56.100 -0.251 0.000 0.896 8 R CB 1.318 31.552 30.300 -0.111 0.000 1.201 8 R HN 0.735 nan 8.270 nan 0.000 0.457 9 Y N 4.270 124.555 120.300 -0.026 0.000 2.429 9 Y HA 0.546 5.096 4.550 0.000 0.000 0.342 9 Y C 0.377 176.260 175.900 -0.028 0.000 1.004 9 Y CA -0.875 57.205 58.100 -0.033 0.000 1.075 9 Y CB 2.127 40.558 38.460 -0.048 0.000 1.214 9 Y HN 0.389 nan 8.280 nan 0.000 0.455 10 M N 1.083 120.746 119.600 0.105 0.000 2.465 10 M HA 0.772 5.252 4.480 0.000 0.000 0.284 10 M C 0.044 176.363 176.300 0.031 0.000 1.212 10 M CA -0.297 55.032 55.300 0.048 0.000 0.910 10 M CB 1.275 33.884 32.600 0.015 0.000 1.725 10 M HN 0.835 nan 8.290 nan 0.000 0.477 11 G N 3.240 112.046 108.800 0.011 0.000 2.591 11 G HA2 -0.333 3.627 3.960 0.000 0.000 0.298 11 G HA3 -0.333 3.627 3.960 0.000 0.000 0.298 11 G C 0.563 175.457 174.900 -0.010 0.000 1.195 11 G CA 0.829 45.923 45.100 -0.009 0.000 0.989 11 G HN 0.944 nan 8.290 nan 0.000 0.551 12 R N 0.751 121.243 120.500 -0.013 0.000 2.237 12 R HA 0.050 4.390 4.340 0.000 0.000 0.219 12 R C 1.962 178.264 176.300 0.004 0.000 1.080 12 R CA 1.258 57.350 56.100 -0.014 0.000 0.995 12 R CB -0.197 30.092 30.300 -0.017 0.000 0.875 12 R HN 0.500 nan 8.270 nan 0.000 0.462 13 D N 0.590 121.009 120.400 0.030 0.000 2.162 13 D HA -0.040 4.601 4.640 0.000 0.000 0.203 13 D C 1.801 178.155 176.300 0.090 0.000 0.967 13 D CA 1.208 55.255 54.000 0.078 0.000 0.840 13 D CB -0.119 40.750 40.800 0.115 0.000 0.972 13 D HN 0.182 nan 8.370 nan 0.000 0.482 14 A N 0.925 123.794 122.820 0.081 0.000 1.933 14 A HA -0.184 4.136 4.320 0.000 0.000 0.218 14 A C 2.077 179.630 177.584 -0.051 0.000 1.175 14 A CA 1.199 53.259 52.037 0.039 0.000 0.628 14 A CB -0.318 18.712 19.000 0.049 0.000 0.814 14 A HN 0.083 nan 8.150 nan 0.000 0.444 15 Q N -0.807 118.972 119.800 -0.035 0.000 2.123 15 Q HA -0.135 4.205 4.340 0.000 0.000 0.199 15 Q C 2.216 178.181 176.000 -0.059 0.000 0.966 15 Q CA 1.551 57.325 55.803 -0.047 0.000 0.845 15 Q CB -0.384 28.332 28.738 -0.038 0.000 0.907 15 Q HN 0.628 nan 8.270 nan 0.000 0.439 16 R N 1.034 121.503 120.500 -0.051 0.000 2.083 16 R HA -0.079 4.261 4.340 0.000 0.000 0.237 16 R C 2.097 178.329 176.300 -0.113 0.000 1.137 16 R CA 1.487 57.554 56.100 -0.055 0.000 0.951 16 R CB -0.599 29.687 30.300 -0.023 0.000 0.851 16 R HN 0.181 nan 8.270 nan 0.000 0.434 17 M N 0.451 119.928 119.600 -0.206 0.000 2.132 17 M HA -0.119 4.361 4.480 0.000 0.000 0.263 17 M C 0.985 177.081 176.300 -0.340 0.000 1.065 17 M CA 1.794 56.852 55.300 -0.403 0.000 1.122 17 M CB -0.702 31.402 32.600 -0.827 0.000 1.365 17 M HN 0.154 nan 8.290 nan 0.000 0.411 18 N N 0.994 119.551 118.700 -0.239 0.000 2.166 18 N HA -0.110 4.630 4.740 0.000 0.000 0.186 18 N C 1.739 177.203 175.510 -0.078 0.000 1.019 18 N CA 1.333 54.296 53.050 -0.145 0.000 0.856 18 N CB -0.398 38.031 38.487 -0.096 0.000 0.993 18 N HN 0.359 nan 8.380 nan 0.000 0.426 19 I N 1.024 121.555 120.570 -0.065 0.000 2.252 19 I HA -0.134 4.036 4.170 0.000 0.000 0.245 19 I C 2.191 178.296 176.117 -0.020 0.000 1.102 19 I CA 0.681 61.965 61.300 -0.027 0.000 1.385 19 I CB -1.036 36.953 38.000 -0.019 0.000 1.064 19 I HN 0.101 nan 8.210 nan 0.000 0.414 20 L N 0.584 121.784 121.223 -0.038 0.000 2.083 20 L HA -0.180 4.160 4.340 0.000 0.000 0.209 20 L C 2.805 179.705 176.870 0.050 0.000 1.083 20 L CA 1.242 56.079 54.840 -0.005 0.000 0.752 20 L CB -0.633 41.413 42.059 -0.022 0.000 0.899 20 L HN 0.183 nan 8.230 nan 0.000 0.433 21 A N 0.317 123.166 122.820 0.049 0.000 1.858 21 A HA -0.139 4.181 4.320 0.000 0.000 0.216 21 A C 2.396 180.029 177.584 0.082 0.000 1.190 21 A CA 1.867 54.014 52.037 0.183 0.000 0.617 21 A CB -1.323 17.739 19.000 0.104 0.000 0.827 21 A HN 0.424 nan 8.150 nan 0.000 0.443 22 G N -0.912 107.909 108.800 0.035 0.000 2.408 22 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 22 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 22 G C 1.700 176.608 174.900 0.013 0.000 1.150 22 G CA 1.174 46.286 45.100 0.020 0.000 0.776 22 G HN 0.514 nan 8.290 nan 0.000 0.542 23 R N 0.515 121.023 120.500 0.013 0.000 2.081 23 R HA 0.095 4.435 4.340 0.000 0.000 0.235 23 R C 2.433 178.736 176.300 0.006 0.000 1.131 23 R CA 1.126 57.230 56.100 0.006 0.000 0.960 23 R CB -0.591 29.712 30.300 0.006 0.000 0.856 23 R HN 0.427 nan 8.270 nan 0.000 0.436 24 I N 0.070 120.649 120.570 0.016 0.000 2.202 24 I HA -0.249 3.921 4.170 0.000 0.000 0.242 24 I C 1.785 177.900 176.117 -0.005 0.000 1.091 24 I CA 0.766 62.070 61.300 0.008 0.000 1.368 24 I CB -0.266 37.744 38.000 0.016 0.000 1.058 24 I HN 0.144 nan 8.210 nan 0.000 0.410 25 I N 1.198 121.767 120.570 -0.002 0.000 2.163 25 I HA -0.303 3.867 4.170 0.000 0.000 0.243 25 I C 2.818 178.927 176.117 -0.013 0.000 1.085 25 I CA 1.918 63.212 61.300 -0.010 0.000 1.347 25 I CB -1.491 36.506 38.000 -0.005 0.000 1.044 25 I HN 0.204 nan 8.210 nan 0.000 0.408 26 A N 0.191 123.005 122.820 -0.010 0.000 1.930 26 A HA -0.214 4.106 4.320 0.000 0.000 0.217 26 A C 2.261 179.833 177.584 -0.019 0.000 1.175 26 A CA 1.683 53.710 52.037 -0.016 0.000 0.627 26 A CB -0.502 18.488 19.000 -0.017 0.000 0.815 26 A HN 0.407 nan 8.150 nan 0.000 0.443 27 E N 0.328 120.519 120.200 -0.015 0.000 2.110 27 E HA -0.146 4.204 4.350 0.000 0.000 0.193 27 E C 2.040 178.629 176.600 -0.018 0.000 0.988 27 E CA 2.222 58.613 56.400 -0.016 0.000 0.804 27 E CB -0.439 29.255 29.700 -0.011 0.000 0.745 27 E HN 0.663 nan 8.360 nan 0.000 0.458 28 T N -2.647 111.895 114.554 -0.019 0.000 2.976 28 T HA 0.026 4.376 4.350 0.000 0.000 0.257 28 T C 1.958 176.645 174.700 -0.022 0.000 1.051 28 T CA 0.806 62.894 62.100 -0.021 0.000 1.141 28 T CB -0.410 68.444 68.868 -0.023 0.000 0.881 28 T HN 0.034 nan 8.240 nan 0.000 0.461 29 V N 2.856 122.757 119.914 -0.021 0.000 2.788 29 V HA 0.031 4.151 4.120 0.000 0.000 0.251 29 V C 2.886 178.966 176.094 -0.024 0.000 1.068 29 V CA 1.422 63.709 62.300 -0.022 0.000 1.090 29 V CB -0.584 31.227 31.823 -0.020 0.000 0.710 29 V HN 0.648 nan 8.190 nan 0.000 0.467 30 R N 0.986 121.471 120.500 -0.026 0.000 2.200 30 R HA -0.115 4.225 4.340 0.000 0.000 0.234 30 R C 1.912 178.193 176.300 -0.031 0.000 1.127 30 R CA 1.772 57.854 56.100 -0.030 0.000 0.989 30 R CB -1.028 29.253 30.300 -0.031 0.000 0.869 30 R HN 0.628 nan 8.270 nan 0.000 0.459 31 S N 0.240 115.923 115.700 -0.029 0.000 2.595 31 S HA -0.084 4.386 4.470 0.000 0.000 0.235 31 S C 1.654 176.235 174.600 -0.031 0.000 0.974 31 S CA 0.875 59.056 58.200 -0.031 0.000 0.942 31 S CB -0.067 63.116 63.200 -0.028 0.000 0.766 31 S HN 0.610 nan 8.310 nan 0.000 0.536 32 T N -1.166 113.370 114.554 -0.029 0.000 3.037 32 T HA 0.311 4.661 4.350 0.000 0.000 0.251 32 T C 0.421 175.103 174.700 -0.030 0.000 1.079 32 T CA -0.475 61.608 62.100 -0.027 0.000 1.067 32 T CB -0.468 68.387 68.868 -0.022 0.000 0.948 32 T HN 0.276 nan 8.240 nan 0.000 0.496 33 L N 2.897 124.099 121.223 -0.034 0.000 2.462 33 L HA 0.516 4.856 4.340 0.000 0.000 0.272 33 L C 0.703 177.546 176.870 -0.046 0.000 1.166 33 L CA 1.617 56.435 54.840 -0.036 0.000 0.880 33 L CB -0.670 41.367 42.059 -0.038 0.000 1.142 33 L HN 0.735 nan 8.230 nan 0.000 0.473 34 G N 4.038 112.813 108.800 -0.042 0.000 2.663 34 G HA2 -0.147 3.813 3.960 0.000 0.000 0.686 34 G HA3 -0.147 3.813 3.960 0.000 0.000 0.686 34 G C -2.098 172.761 174.900 -0.068 0.000 1.288 34 G CA -0.459 44.606 45.100 -0.058 0.000 0.836 34 G HN 0.482 nan 8.290 nan 0.000 0.584 35 P HA -0.016 nan 4.420 nan 0.000 0.218 35 P C 1.408 178.614 177.300 -0.157 0.000 1.148 35 P CA 1.495 64.525 63.100 -0.118 0.000 0.822 35 P CB 0.047 31.577 31.700 -0.283 0.000 0.784 36 K N -0.691 119.590 120.400 -0.198 0.000 2.446 36 K HA 0.257 4.577 4.320 0.000 0.000 0.203 36 K C 0.951 177.497 176.600 -0.090 0.000 1.027 36 K CA -0.189 56.006 56.287 -0.152 0.000 1.166 36 K CB -0.374 32.016 32.500 -0.183 0.000 0.869 36 K HN 0.035 nan 8.250 nan 0.000 0.504 37 G N 0.377 109.134 108.800 -0.072 0.000 2.569 37 G HA2 0.222 4.182 3.960 0.000 0.000 0.249 37 G HA3 0.222 4.182 3.960 0.000 0.000 0.249 37 G C -0.017 174.860 174.900 -0.038 0.000 1.216 37 G CA -0.432 44.638 45.100 -0.050 0.000 0.845 37 G HN -0.029 nan 8.290 nan 0.000 0.568 38 M N -0.047 119.533 119.600 -0.033 0.000 2.705 38 M HA 0.408 4.889 4.480 0.000 0.000 0.272 38 M C -0.690 175.596 176.300 -0.024 0.000 1.172 38 M CA -0.512 54.771 55.300 -0.027 0.000 0.901 38 M CB 1.402 33.986 32.600 -0.028 0.000 1.516 38 M HN 0.389 nan 8.290 nan 0.000 0.530 39 D N -0.221 120.165 120.400 -0.024 0.000 2.269 39 D HA 0.474 5.114 4.640 0.000 0.000 0.244 39 D C -0.977 175.307 176.300 -0.026 0.000 0.992 39 D CA -0.370 53.615 54.000 -0.024 0.000 0.894 39 D CB 1.413 42.198 40.800 -0.025 0.000 1.248 39 D HN 0.098 nan 8.370 nan 0.000 0.468 40 K N 0.740 121.124 120.400 -0.025 0.000 2.123 40 K HA 0.612 4.932 4.320 0.000 0.000 0.248 40 K C -0.807 175.775 176.600 -0.030 0.000 0.969 40 K CA -0.519 55.752 56.287 -0.026 0.000 0.882 40 K CB 1.316 33.802 32.500 -0.023 0.000 1.080 40 K HN 0.364 nan 8.250 nan 0.000 0.441 41 M N 3.305 122.886 119.600 -0.031 0.000 2.022 41 M HA 0.328 4.808 4.480 0.000 0.000 0.298 41 M C -1.706 174.577 176.300 -0.028 0.000 0.909 41 M CA -0.917 54.361 55.300 -0.036 0.000 0.914 41 M CB 0.569 33.144 32.600 -0.042 0.000 1.486 41 M HN 0.308 nan 8.290 nan 0.000 0.415 42 L N 5.059 126.267 121.223 -0.023 0.000 2.275 42 L HA 0.563 4.903 4.340 0.000 0.000 0.288 42 L C -0.681 176.181 176.870 -0.013 0.000 1.046 42 L CA -0.322 54.507 54.840 -0.017 0.000 0.805 42 L CB 1.740 43.791 42.059 -0.014 0.000 1.193 42 L HN 0.360 nan 8.230 nan 0.000 0.426 43 V N 2.579 122.486 119.914 -0.012 0.000 2.409 43 V HA 0.349 4.469 4.120 0.000 0.000 0.291 43 V C -0.058 176.032 176.094 -0.005 0.000 1.020 43 V CA -0.856 61.439 62.300 -0.008 0.000 0.848 43 V CB 1.566 33.384 31.823 -0.009 0.000 0.990 43 V HN 0.633 nan 8.190 nan 0.000 0.430 44 D N 2.503 122.902 120.400 -0.001 0.000 2.384 44 D HA 0.046 4.686 4.640 0.000 0.000 0.244 44 D C 1.021 177.320 176.300 -0.001 0.000 1.251 44 D CA -0.115 53.885 54.000 -0.001 0.000 0.961 44 D CB 1.275 42.077 40.800 0.002 0.000 1.116 44 D HN 0.704 nan 8.370 nan 0.000 0.484 45 D N -0.479 119.921 120.400 -0.001 0.000 2.263 45 D HA -0.116 4.524 4.640 0.000 0.000 0.208 45 D C 1.530 177.831 176.300 0.001 0.000 0.971 45 D CA 0.832 54.832 54.000 -0.001 0.000 0.867 45 D CB 0.116 40.916 40.800 -0.001 0.000 0.929 45 D HN 0.118 nan 8.370 nan 0.000 0.492 46 L N -1.169 120.055 121.223 0.002 0.000 2.509 46 L HA 0.344 4.684 4.340 0.000 0.000 0.222 46 L C 2.047 178.920 176.870 0.005 0.000 1.123 46 L CA 0.997 55.839 54.840 0.003 0.000 0.856 46 L CB 0.134 42.196 42.059 0.004 0.000 0.985 46 L HN 0.268 nan 8.230 nan 0.000 0.456 47 G N -1.539 107.263 108.800 0.004 0.000 2.201 47 G HA2 -0.248 3.712 3.960 0.000 0.000 0.212 47 G HA3 -0.248 3.712 3.960 0.000 0.000 0.212 47 G C 0.281 175.187 174.900 0.009 0.000 0.994 47 G CA 0.069 45.172 45.100 0.006 0.000 0.644 47 G HN 0.317 nan 8.290 nan 0.000 0.508 48 D N 1.194 121.600 120.400 0.011 0.000 2.487 48 D HA 0.355 4.995 4.640 0.000 0.000 0.243 48 D C 0.459 176.770 176.300 0.017 0.000 1.154 48 D CA 0.390 54.401 54.000 0.018 0.000 0.876 48 D CB 1.057 41.867 40.800 0.017 0.000 1.161 48 D HN 0.257 nan 8.370 nan 0.000 0.478 49 V N 4.938 124.868 119.914 0.027 0.000 2.398 49 V HA 0.378 4.498 4.120 0.000 0.000 0.286 49 V C 0.114 176.223 176.094 0.026 0.000 1.026 49 V CA -0.827 61.481 62.300 0.014 0.000 0.868 49 V CB 1.685 33.509 31.823 0.002 0.000 0.982 49 V HN 0.401 nan 8.190 nan 0.000 0.443 50 V N 6.413 126.329 119.914 0.004 0.000 2.656 50 V HA 0.675 4.795 4.120 0.000 0.000 0.307 50 V C -0.775 175.304 176.094 -0.025 0.000 1.051 50 V CA -0.294 62.011 62.300 0.009 0.000 0.893 50 V CB 2.341 34.173 31.823 0.016 0.000 0.999 50 V HN 0.622 nan 8.190 nan 0.000 0.426 51 V N 5.812 125.703 119.914 -0.038 0.000 2.409 51 V HA 0.781 4.901 4.120 0.000 0.000 0.291 51 V C 0.014 176.095 176.094 -0.021 0.000 1.020 51 V CA -0.086 62.181 62.300 -0.054 0.000 0.848 51 V CB 1.555 33.313 31.823 -0.108 0.000 0.990 51 V HN 1.038 nan 8.190 nan 0.000 0.430 52 T N 2.547 117.090 114.554 -0.018 0.000 2.802 52 T HA 0.323 4.673 4.350 0.000 0.000 0.311 52 T C 0.080 174.773 174.700 -0.012 0.000 1.405 52 T CA -0.378 61.717 62.100 -0.008 0.000 1.016 52 T CB 2.029 70.896 68.868 -0.002 0.000 1.352 52 T HN 0.661 nan 8.240 nan 0.000 0.498 53 N N 1.182 119.877 118.700 -0.008 0.000 2.210 53 N HA 0.074 4.814 4.740 0.000 0.000 0.203 53 N C -0.314 175.191 175.510 -0.008 0.000 1.175 53 N CA -0.006 53.038 53.050 -0.010 0.000 0.894 53 N CB 0.476 38.959 38.487 -0.008 0.000 1.041 53 N HN 0.691 nan 8.380 nan 0.000 0.506 54 D N -0.057 120.340 120.400 -0.005 0.000 2.371 54 D HA 0.202 4.842 4.640 0.000 0.000 0.256 54 D C 1.485 177.781 176.300 -0.007 0.000 1.193 54 D CA 0.206 54.204 54.000 -0.004 0.000 0.881 54 D CB 1.038 41.838 40.800 -0.001 0.000 1.143 54 D HN 0.263 nan 8.370 nan 0.000 0.473 55 G N 2.653 111.448 108.800 -0.008 0.000 2.440 55 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 55 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 55 G C 1.532 176.427 174.900 -0.008 0.000 1.154 55 G CA 0.758 45.852 45.100 -0.010 0.000 0.767 55 G HN 0.490 nan 8.290 nan 0.000 0.552 56 V N 0.839 120.750 119.914 -0.005 0.000 2.261 56 V HA -0.185 3.935 4.120 0.000 0.000 0.246 56 V C 3.185 179.277 176.094 -0.004 0.000 1.047 56 V CA 2.422 64.719 62.300 -0.004 0.000 1.015 56 V CB -0.913 30.908 31.823 -0.002 0.000 0.642 56 V HN 0.408 nan 8.190 nan 0.000 0.446 57 T N 0.310 114.862 114.554 -0.003 0.000 2.684 57 T HA -0.169 4.181 4.350 0.000 0.000 0.267 57 T C 1.805 176.502 174.700 -0.005 0.000 1.036 57 T CA 1.917 64.016 62.100 -0.002 0.000 1.148 57 T CB -0.315 68.553 68.868 -0.000 0.000 0.863 57 T HN 0.339 nan 8.240 nan 0.000 0.436 58 I N 0.319 120.885 120.570 -0.007 0.000 2.179 58 I HA -0.148 4.022 4.170 0.000 0.000 0.242 58 I C 2.100 178.209 176.117 -0.012 0.000 1.088 58 I CA 1.000 62.294 61.300 -0.011 0.000 1.357 58 I CB -0.281 37.711 38.000 -0.013 0.000 1.051 58 I HN 0.160 nan 8.210 nan 0.000 0.409 59 L N 0.113 121.329 121.223 -0.010 0.000 2.109 59 L HA -0.089 4.251 4.340 0.000 0.000 0.207 59 L C 2.501 179.366 176.870 -0.008 0.000 1.086 59 L CA 1.505 56.338 54.840 -0.011 0.000 0.760 59 L CB -0.945 41.109 42.059 -0.008 0.000 0.910 59 L HN 0.147 nan 8.230 nan 0.000 0.437 60 R N -0.142 120.354 120.500 -0.006 0.000 2.075 60 R HA -0.107 4.233 4.340 0.000 0.000 0.232 60 R C 1.891 178.188 176.300 -0.005 0.000 1.126 60 R CA 1.237 57.335 56.100 -0.004 0.000 0.963 60 R CB 0.093 30.392 30.300 -0.002 0.000 0.858 60 R HN 0.337 nan 8.270 nan 0.000 0.435 61 E N 0.886 121.082 120.200 -0.006 0.000 2.086 61 E HA -0.052 4.298 4.350 0.000 0.000 0.190 61 E C 1.282 177.876 176.600 -0.009 0.000 0.975 61 E CA 0.467 56.864 56.400 -0.006 0.000 0.813 61 E CB -0.358 29.339 29.700 -0.004 0.000 0.768 61 E HN 0.448 nan 8.360 nan 0.000 0.457 62 M N -0.022 119.570 119.600 -0.013 0.000 2.240 62 M HA 0.102 4.582 4.480 0.000 0.000 0.317 62 M C 0.499 176.787 176.300 -0.020 0.000 1.087 62 M CA 0.331 55.620 55.300 -0.018 0.000 1.176 62 M CB 0.570 33.156 32.600 -0.024 0.000 1.439 62 M HN -0.260 nan 8.290 nan 0.000 0.452 63 S N 2.317 118.002 115.700 -0.025 0.000 2.473 63 S HA 0.430 4.900 4.470 0.000 0.000 0.312 63 S C -0.652 173.924 174.600 -0.041 0.000 1.087 63 S CA -0.801 57.384 58.200 -0.026 0.000 1.077 63 S CB -0.237 62.950 63.200 -0.022 0.000 1.065 63 S HN 0.521 nan 8.310 nan 0.000 0.510 64 V N 5.071 124.963 119.914 -0.036 0.000 2.546 64 V HA 0.332 4.452 4.120 0.000 0.000 0.284 64 V C 1.118 177.188 176.094 -0.041 0.000 1.050 64 V CA -0.228 62.041 62.300 -0.051 0.000 0.981 64 V CB 1.511 33.316 31.823 -0.031 0.000 0.990 64 V HN 0.913 nan 8.190 nan 0.000 0.474 65 E N 2.479 122.634 120.200 -0.076 0.000 2.256 65 E HA 0.075 4.425 4.350 0.000 0.000 0.198 65 E C 0.580 177.228 176.600 0.080 0.000 0.908 65 E CA 0.435 56.824 56.400 -0.019 0.000 0.915 65 E CB 0.121 29.793 29.700 -0.046 0.000 0.890 65 E HN 0.821 nan 8.360 nan 0.000 0.484 66 H N 1.020 120.076 119.070 -0.023 0.000 2.848 66 H HA 0.065 4.621 4.556 -0.000 0.000 0.317 66 H C -1.753 173.554 175.328 -0.035 0.000 1.046 66 H CA -1.629 54.391 56.048 -0.046 0.000 1.470 66 H CB 1.367 31.088 29.762 -0.069 0.000 1.483 66 H HN 0.156 nan 8.280 nan 0.000 0.548 67 P HA -0.200 nan 4.420 nan 0.000 0.215 67 P C 1.266 178.581 177.300 0.024 0.000 1.153 67 P CA 1.502 64.624 63.100 0.036 0.000 0.853 67 P CB 0.215 31.925 31.700 0.018 0.000 0.788 68 A N -0.022 122.802 122.820 0.007 0.000 1.930 68 A HA -0.073 4.247 4.320 0.000 0.000 0.217 68 A C 2.315 179.914 177.584 0.024 0.000 1.175 68 A CA 1.932 53.970 52.037 0.001 0.000 0.627 68 A CB -1.566 17.415 19.000 -0.032 0.000 0.815 68 A HN 0.188 nan 8.150 nan 0.000 0.443 69 A N 0.075 122.926 122.820 0.052 0.000 1.933 69 A HA -0.163 4.157 4.320 0.000 0.000 0.218 69 A C 2.052 179.650 177.584 0.023 0.000 1.175 69 A CA 1.754 53.815 52.037 0.041 0.000 0.628 69 A CB -0.424 18.604 19.000 0.047 0.000 0.814 69 A HN 0.553 nan 8.150 nan 0.000 0.444 70 K N -0.954 119.462 120.400 0.026 0.000 2.209 70 K HA -0.055 4.265 4.320 0.000 0.000 0.204 70 K C 1.820 178.429 176.600 0.015 0.000 1.048 70 K CA 1.208 57.505 56.287 0.017 0.000 0.940 70 K CB -0.189 32.323 32.500 0.020 0.000 0.729 70 K HN 0.387 nan 8.250 nan 0.000 0.451 71 M N 0.377 119.987 119.600 0.016 0.000 2.236 71 M HA -0.041 4.439 4.480 0.000 0.000 0.266 71 M C 2.177 178.486 176.300 0.014 0.000 1.070 71 M CA 1.138 56.447 55.300 0.015 0.000 1.137 71 M CB -0.663 31.946 32.600 0.015 0.000 1.378 71 M HN 0.176 nan 8.290 nan 0.000 0.426 72 L N 0.327 121.558 121.223 0.014 0.000 2.131 72 L HA -0.196 4.144 4.340 0.000 0.000 0.210 72 L C 2.249 179.124 176.870 0.008 0.000 1.092 72 L CA 0.884 55.731 54.840 0.012 0.000 0.759 72 L CB -0.219 41.846 42.059 0.011 0.000 0.903 72 L HN 0.187 nan 8.230 nan 0.000 0.435 73 I N -0.240 120.334 120.570 0.007 0.000 2.248 73 I HA -0.350 3.820 4.170 0.000 0.000 0.248 73 I C 2.376 178.496 176.117 0.005 0.000 1.107 73 I CA 1.330 62.633 61.300 0.004 0.000 1.373 73 I CB -0.212 37.790 38.000 0.003 0.000 1.055 73 I HN 0.305 nan 8.210 nan 0.000 0.418 74 E N 0.599 120.803 120.200 0.007 0.000 2.153 74 E HA -0.153 4.197 4.350 0.000 0.000 0.194 74 E C 2.135 178.740 176.600 0.008 0.000 0.988 74 E CA 0.963 57.368 56.400 0.008 0.000 0.811 74 E CB 0.003 29.709 29.700 0.010 0.000 0.746 74 E HN 0.265 nan 8.360 nan 0.000 0.466 75 V N 0.557 120.476 119.914 0.009 0.000 2.295 75 V HA -0.287 3.833 4.120 0.000 0.000 0.246 75 V C 2.304 178.400 176.094 0.004 0.000 1.049 75 V CA 1.891 64.197 62.300 0.009 0.000 1.024 75 V CB -0.894 30.935 31.823 0.010 0.000 0.648 75 V HN 0.444 nan 8.190 nan 0.000 0.447 76 A N -0.494 122.328 122.820 0.002 0.000 1.972 76 A HA -0.220 4.100 4.320 0.000 0.000 0.219 76 A C 2.280 179.864 177.584 0.000 0.000 1.169 76 A CA 1.844 53.881 52.037 -0.001 0.000 0.635 76 A CB -0.403 18.596 19.000 -0.002 0.000 0.810 76 A HN 0.557 nan 8.150 nan 0.000 0.446 77 K N -0.534 119.867 120.400 0.002 0.000 2.097 77 K HA -0.101 4.219 4.320 0.000 0.000 0.205 77 K C 2.188 178.789 176.600 0.002 0.000 1.050 77 K CA 1.726 58.014 56.287 0.002 0.000 0.938 77 K CB -0.304 32.198 32.500 0.003 0.000 0.718 77 K HN 0.729 nan 8.250 nan 0.000 0.442 78 T N -1.303 113.254 114.554 0.004 0.000 2.951 78 T HA -0.138 4.213 4.350 0.000 0.000 0.268 78 T C 1.985 176.687 174.700 0.003 0.000 1.073 78 T CA 0.816 62.918 62.100 0.004 0.000 1.134 78 T CB -0.001 68.870 68.868 0.006 0.000 0.884 78 T HN 0.034 nan 8.240 nan 0.000 0.479 79 Q N 1.210 121.011 119.800 0.002 0.000 2.079 79 Q HA -0.068 4.272 4.340 0.000 0.000 0.200 79 Q C 2.439 178.439 176.000 0.001 0.000 0.974 79 Q CA 1.452 57.256 55.803 0.001 0.000 0.840 79 Q CB -0.398 28.340 28.738 -0.000 0.000 0.898 79 Q HN 0.523 nan 8.270 nan 0.000 0.430 80 E N -0.085 120.115 120.200 0.000 0.000 2.085 80 E HA -0.205 4.145 4.350 0.000 0.000 0.194 80 E C 1.614 178.214 176.600 -0.000 0.000 0.994 80 E CA 1.151 57.550 56.400 -0.000 0.000 0.801 80 E CB 0.157 29.857 29.700 -0.001 0.000 0.743 80 E HN 0.233 nan 8.360 nan 0.000 0.453 81 K N 0.379 120.779 120.400 0.000 0.000 2.031 81 K HA -0.133 4.187 4.320 0.000 0.000 0.205 81 K C 2.129 178.729 176.600 0.000 0.000 1.049 81 K CA 1.072 57.359 56.287 -0.000 0.000 0.939 81 K CB -0.281 32.220 32.500 0.000 0.000 0.717 81 K HN 0.051 nan 8.250 nan 0.000 0.438 82 E N 0.838 121.039 120.200 0.001 0.000 2.076 82 E HA -0.107 4.243 4.350 0.000 0.000 0.190 82 E C 1.719 178.320 176.600 0.001 0.000 0.979 82 E CA 1.299 57.700 56.400 0.001 0.000 0.807 82 E CB 0.285 29.987 29.700 0.002 0.000 0.761 82 E HN 0.089 nan 8.360 nan 0.000 0.454 83 V N -4.934 114.981 119.914 0.001 0.000 3.473 83 V HA 0.584 4.704 4.120 0.000 0.000 0.253 83 V C 1.484 177.579 176.094 0.001 0.000 1.340 83 V CA 0.849 63.150 62.300 0.001 0.000 1.103 83 V CB 0.450 32.274 31.823 0.002 0.000 0.881 83 V HN 0.340 nan 8.190 nan 0.000 0.451 84 G N 0.687 109.487 108.800 0.000 0.000 3.586 84 G HA2 -0.265 3.695 3.960 0.000 0.000 0.212 84 G HA3 -0.265 3.695 3.960 0.000 0.000 0.212 84 G C 0.166 175.067 174.900 0.001 0.000 1.411 84 G CA 0.468 45.569 45.100 0.000 0.000 0.898 84 G HN 0.654 nan 8.290 nan 0.000 0.575 85 D N 1.167 121.569 120.400 0.002 0.000 2.478 85 D HA 0.480 5.120 4.640 0.000 0.000 0.269 85 D C 1.538 177.838 176.300 0.000 0.000 1.232 85 D CA 1.219 55.220 54.000 0.002 0.000 1.059 85 D CB 0.616 41.419 40.800 0.005 0.000 1.104 85 D HN 1.611 nan 8.370 nan 0.000 0.566 86 G N -0.344 108.456 108.800 -0.001 0.000 2.153 86 G HA2 -0.326 3.634 3.960 0.000 0.000 0.252 86 G HA3 -0.326 3.634 3.960 0.000 0.000 0.252 86 G C 1.037 175.932 174.900 -0.008 0.000 0.994 86 G CA 1.516 46.613 45.100 -0.005 0.000 0.698 86 G HN 0.584 nan 8.290 nan 0.000 0.521 87 T N -2.947 111.604 114.554 -0.006 0.000 2.746 87 T HA -0.113 4.237 4.350 0.000 0.000 0.267 87 T C 2.215 176.909 174.700 -0.010 0.000 1.039 87 T CA 2.421 64.517 62.100 -0.007 0.000 1.142 87 T CB -0.565 68.300 68.868 -0.005 0.000 0.866 87 T HN 0.308 nan 8.240 nan 0.000 0.444 88 T N 2.007 116.554 114.554 -0.013 0.000 2.737 88 T HA -0.087 4.263 4.350 0.000 0.000 0.265 88 T C 2.280 176.967 174.700 -0.022 0.000 1.038 88 T CA 1.817 63.907 62.100 -0.017 0.000 1.144 88 T CB -0.989 67.868 68.868 -0.019 0.000 0.866 88 T HN 0.518 nan 8.240 nan 0.000 0.434 89 T N 2.233 116.774 114.554 -0.022 0.000 2.665 89 T HA -0.136 4.214 4.350 0.000 0.000 0.268 89 T C 2.371 177.052 174.700 -0.032 0.000 1.035 89 T CA 1.335 63.418 62.100 -0.029 0.000 1.151 89 T CB -0.631 68.222 68.868 -0.025 0.000 0.862 89 T HN 0.447 nan 8.240 nan 0.000 0.438 90 A N 0.759 123.565 122.820 -0.023 0.000 1.940 90 A HA -0.057 4.263 4.320 0.000 0.000 0.219 90 A C 2.592 180.162 177.584 -0.023 0.000 1.176 90 A CA 1.456 53.480 52.037 -0.021 0.000 0.631 90 A CB -0.910 18.084 19.000 -0.011 0.000 0.814 90 A HN 0.386 nan 8.150 nan 0.000 0.446 91 V N -0.653 119.248 119.914 -0.020 0.000 2.379 91 V HA -0.178 3.942 4.120 0.000 0.000 0.245 91 V C 2.552 178.629 176.094 -0.028 0.000 1.044 91 V CA 1.734 64.023 62.300 -0.019 0.000 1.036 91 V CB -0.629 31.185 31.823 -0.015 0.000 0.664 91 V HN 0.363 nan 8.190 nan 0.000 0.453 92 V N -0.449 119.444 119.914 -0.034 0.000 2.295 92 V HA -0.218 3.902 4.120 0.000 0.000 0.246 92 V C 2.465 178.523 176.094 -0.059 0.000 1.049 92 V CA 2.128 64.403 62.300 -0.043 0.000 1.024 92 V CB -0.376 31.420 31.823 -0.044 0.000 0.648 92 V HN 0.425 nan 8.190 nan 0.000 0.447 93 V N -0.018 119.852 119.914 -0.072 0.000 2.515 93 V HA -0.183 3.937 4.120 0.000 0.000 0.250 93 V C 2.526 178.549 176.094 -0.118 0.000 1.058 93 V CA 1.998 64.231 62.300 -0.112 0.000 1.064 93 V CB -0.278 31.471 31.823 -0.124 0.000 0.675 93 V HN 0.522 nan 8.190 nan 0.000 0.461 94 A N -0.136 122.641 122.820 -0.071 0.000 1.898 94 A HA 0.003 4.323 4.320 0.000 0.000 0.216 94 A C 2.342 179.910 177.584 -0.027 0.000 1.181 94 A CA 1.704 53.717 52.037 -0.041 0.000 0.620 94 A CB -1.233 17.760 19.000 -0.012 0.000 0.819 94 A HN 0.600 nan 8.150 nan 0.000 0.442 95 G N -0.495 108.288 108.800 -0.029 0.000 2.408 95 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 95 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 95 G C 1.461 176.347 174.900 -0.024 0.000 1.150 95 G CA 1.285 46.375 45.100 -0.018 0.000 0.776 95 G HN 0.583 nan 8.290 nan 0.000 0.542 96 E N 0.249 120.419 120.200 -0.051 0.000 2.107 96 E HA 0.040 4.391 4.350 0.000 0.000 0.191 96 E C 2.454 179.013 176.600 -0.067 0.000 0.982 96 E CA 0.433 56.795 56.400 -0.063 0.000 0.809 96 E CB -0.350 29.294 29.700 -0.093 0.000 0.756 96 E HN 0.416 nan 8.360 nan 0.000 0.459 97 L N 0.031 121.194 121.223 -0.100 0.000 2.083 97 L HA -0.159 4.181 4.340 0.000 0.000 0.209 97 L C 2.371 179.304 176.870 0.104 0.000 1.083 97 L CA 0.946 55.728 54.840 -0.096 0.000 0.752 97 L CB -0.335 41.618 42.059 -0.176 0.000 0.899 97 L HN 0.249 nan 8.230 nan 0.000 0.433 98 L N -0.864 120.406 121.223 0.077 0.000 2.156 98 L HA -0.166 4.174 4.340 0.000 0.000 0.208 98 L C 2.731 179.638 176.870 0.061 0.000 1.095 98 L CA 0.609 55.502 54.840 0.088 0.000 0.770 98 L CB -0.386 41.703 42.059 0.049 0.000 0.914 98 L HN 0.202 nan 8.230 nan 0.000 0.439 99 R N 0.902 121.422 120.500 0.034 0.000 2.081 99 R HA -0.169 4.171 4.340 0.000 0.000 0.235 99 R C 2.116 178.440 176.300 0.040 0.000 1.131 99 R CA 1.593 57.707 56.100 0.023 0.000 0.960 99 R CB -0.098 30.204 30.300 0.003 0.000 0.856 99 R HN 0.008 nan 8.270 nan 0.000 0.436 100 K N -0.236 120.199 120.400 0.059 0.000 2.155 100 K HA 0.144 4.464 4.320 0.000 0.000 0.203 100 K C 1.816 178.501 176.600 0.141 0.000 1.052 100 K CA 1.303 57.644 56.287 0.090 0.000 0.948 100 K CB -0.282 32.270 32.500 0.088 0.000 0.728 100 K HN 0.291 nan 8.250 nan 0.000 0.448 101 A N 0.752 123.684 122.820 0.187 0.000 1.902 101 A HA -0.218 4.102 4.320 0.000 0.000 0.217 101 A C 2.123 179.732 177.584 0.042 0.000 1.181 101 A CA 1.810 53.929 52.037 0.137 0.000 0.623 101 A CB -0.480 18.608 19.000 0.148 0.000 0.818 101 A HN 0.442 nan 8.150 nan 0.000 0.443 102 E N -0.322 119.901 120.200 0.039 0.000 2.110 102 E HA -0.215 4.135 4.350 0.000 0.000 0.193 102 E C 1.723 178.330 176.600 0.012 0.000 0.988 102 E CA 1.240 57.647 56.400 0.013 0.000 0.804 102 E CB -0.056 29.650 29.700 0.010 0.000 0.745 102 E HN 0.563 nan 8.360 nan 0.000 0.458 103 E N 0.224 120.440 120.200 0.026 0.000 2.106 103 E HA -0.160 4.190 4.350 0.000 0.000 0.192 103 E C 2.088 178.701 176.600 0.022 0.000 0.984 103 E CA 0.556 56.970 56.400 0.024 0.000 0.806 103 E CB -0.072 29.646 29.700 0.031 0.000 0.750 103 E HN 0.274 nan 8.360 nan 0.000 0.458 104 L N 0.436 121.676 121.223 0.029 0.000 2.156 104 L HA -0.086 4.254 4.340 0.000 0.000 0.208 104 L C 2.383 179.249 176.870 -0.006 0.000 1.095 104 L CA 1.049 55.901 54.840 0.020 0.000 0.770 104 L CB -0.673 41.403 42.059 0.028 0.000 0.914 104 L HN 0.084 nan 8.230 nan 0.000 0.439 105 L N -0.962 120.249 121.223 -0.019 0.000 2.093 105 L HA -0.187 4.153 4.340 0.000 0.000 0.208 105 L C 1.980 178.836 176.870 -0.024 0.000 1.085 105 L CA 0.910 55.729 54.840 -0.035 0.000 0.755 105 L CB -0.525 41.509 42.059 -0.042 0.000 0.904 105 L HN 0.232 nan 8.230 nan 0.000 0.435 106 D N -0.569 119.824 120.400 -0.011 0.000 2.224 106 D HA -0.133 4.507 4.640 0.000 0.000 0.205 106 D C 2.017 178.316 176.300 -0.002 0.000 0.965 106 D CA 0.803 54.800 54.000 -0.006 0.000 0.852 106 D CB -0.029 40.771 40.800 -0.000 0.000 0.947 106 D HN 0.262 nan 8.370 nan 0.000 0.494 107 Q N 0.469 120.270 119.800 0.002 0.000 2.415 107 Q HA -0.007 4.333 4.340 0.000 0.000 0.206 107 Q C 0.047 176.050 176.000 0.005 0.000 0.946 107 Q CA 0.010 55.818 55.803 0.007 0.000 0.951 107 Q CB -0.158 28.589 28.738 0.015 0.000 1.026 107 Q HN 0.176 nan 8.270 nan 0.000 0.510 108 N N -0.339 118.360 118.700 -0.002 0.000 2.754 108 N HA -0.155 4.585 4.740 0.000 0.000 0.248 108 N C -1.366 174.148 175.510 0.007 0.000 1.093 108 N CA 0.301 53.349 53.050 -0.002 0.000 0.699 108 N CB -1.298 37.192 38.487 0.005 0.000 1.016 108 N HN -0.029 nan 8.380 nan 0.000 0.552 109 V N 2.113 122.027 119.914 0.001 0.000 2.385 109 V HA 0.129 4.249 4.120 0.000 0.000 0.269 109 V C 1.001 177.097 176.094 0.004 0.000 1.043 109 V CA -0.799 61.509 62.300 0.014 0.000 0.906 109 V CB 1.032 32.858 31.823 0.005 0.000 0.995 109 V HN 0.347 nan 8.190 nan 0.000 0.467 110 H N 8.246 127.299 119.070 -0.028 0.000 3.094 110 H HA 0.017 4.573 4.556 0.000 0.000 0.320 110 H C -1.667 173.633 175.328 -0.046 0.000 1.000 110 H CA -1.055 54.975 56.048 -0.030 0.000 1.413 110 H CB 1.575 31.322 29.762 -0.025 0.000 1.405 110 H HN 0.385 nan 8.280 nan 0.000 0.586 111 P HA -0.187 nan 4.420 nan 0.000 0.217 111 P C 1.428 178.749 177.300 0.035 0.000 1.148 111 P CA 2.565 65.597 63.100 -0.113 0.000 0.834 111 P CB 0.025 31.619 31.700 -0.178 0.000 0.783 112 T N -4.241 110.475 114.554 0.269 0.000 2.995 112 T HA -0.034 4.316 4.350 0.000 0.000 0.269 112 T C 1.702 176.436 174.700 0.056 0.000 1.091 112 T CA 0.652 62.839 62.100 0.146 0.000 1.128 112 T CB -0.753 68.188 68.868 0.122 0.000 0.891 112 T HN -0.082 nan 8.240 nan 0.000 0.492 113 I N 1.195 121.808 120.570 0.072 0.000 2.333 113 I HA 0.010 4.180 4.170 0.000 0.000 0.246 113 I C 2.657 178.747 176.117 -0.044 0.000 1.106 113 I CA 0.502 61.810 61.300 0.014 0.000 1.411 113 I CB -1.104 36.916 38.000 0.033 0.000 1.082 113 I HN 0.175 nan 8.210 nan 0.000 0.420 114 V N 1.547 121.400 119.914 -0.102 0.000 2.295 114 V HA -0.219 3.901 4.120 0.000 0.000 0.246 114 V C 2.731 178.569 176.094 -0.426 0.000 1.049 114 V CA 1.992 64.115 62.300 -0.295 0.000 1.024 114 V CB -0.801 30.827 31.823 -0.326 0.000 0.648 114 V HN 0.414 nan 8.190 nan 0.000 0.447 115 V N -0.890 118.888 119.914 -0.226 0.000 2.667 115 V HA -0.105 4.015 4.120 0.000 0.000 0.252 115 V C 2.360 178.436 176.094 -0.030 0.000 1.065 115 V CA 2.114 64.341 62.300 -0.123 0.000 1.083 115 V CB -0.684 31.108 31.823 -0.053 0.000 0.692 115 V HN 0.493 nan 8.190 nan 0.000 0.468 116 K N 2.233 122.617 120.400 -0.027 0.000 2.025 116 K HA 0.098 4.418 4.320 0.000 0.000 0.207 116 K C 2.136 178.754 176.600 0.029 0.000 1.049 116 K CA 2.080 58.370 56.287 0.004 0.000 0.933 116 K CB -1.325 31.174 32.500 -0.001 0.000 0.714 116 K HN 0.435 nan 8.250 nan 0.000 0.438 117 G N -0.746 108.078 108.800 0.041 0.000 2.422 117 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 117 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 117 G C 1.170 176.173 174.900 0.172 0.000 1.146 117 G CA 0.829 45.999 45.100 0.117 0.000 0.769 117 G HN 0.290 nan 8.290 nan 0.000 0.547 118 Y N 0.313 120.564 120.300 -0.083 0.000 2.314 118 Y HA -0.015 4.535 4.550 0.000 0.000 0.293 118 Y C 2.861 178.582 175.900 -0.298 0.000 1.129 118 Y CA 0.899 58.877 58.100 -0.202 0.000 1.201 118 Y CB -0.788 37.714 38.460 0.070 0.000 0.999 118 Y HN 0.260 nan 8.280 nan 0.000 0.541 119 Q N 0.383 120.204 119.800 0.035 0.000 2.079 119 Q HA -0.056 4.284 4.340 0.000 0.000 0.200 119 Q C 2.357 178.310 176.000 -0.077 0.000 0.974 119 Q CA 1.754 57.548 55.803 -0.015 0.000 0.840 119 Q CB -0.474 28.273 28.738 0.015 0.000 0.898 119 Q HN 0.325 nan 8.270 nan 0.000 0.430 120 A N 0.251 123.046 122.820 -0.041 0.000 1.873 120 A HA -0.003 4.317 4.320 0.000 0.000 0.215 120 A C 2.271 179.788 177.584 -0.111 0.000 1.186 120 A CA 1.869 53.912 52.037 0.010 0.000 0.616 120 A CB -1.142 17.942 19.000 0.141 0.000 0.823 120 A HN 0.498 nan 8.150 nan 0.000 0.442 121 A N -0.342 122.316 122.820 -0.270 0.000 1.930 121 A HA 0.249 4.569 4.320 0.000 0.000 0.217 121 A C 2.443 179.621 177.584 -0.676 0.000 1.175 121 A CA 1.818 53.539 52.037 -0.526 0.000 0.627 121 A CB -0.842 17.681 19.000 -0.796 0.000 0.815 121 A HN 0.990 nan 8.150 nan 0.000 0.443 122 A N -1.151 121.224 122.820 -0.741 0.000 1.930 122 A HA -0.123 4.197 4.320 0.000 0.000 0.217 122 A C 2.092 179.580 177.584 -0.160 0.000 1.175 122 A CA 1.444 53.296 52.037 -0.309 0.000 0.627 122 A CB -0.377 18.532 19.000 -0.152 0.000 0.815 122 A HN 0.461 nan 8.150 nan 0.000 0.443 123 Q N -0.295 119.399 119.800 -0.175 0.000 2.124 123 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 123 Q C 2.003 177.901 176.000 -0.170 0.000 0.977 123 Q CA 1.816 57.543 55.803 -0.126 0.000 0.850 123 Q CB -0.301 28.383 28.738 -0.091 0.000 0.901 123 Q HN 0.619 nan 8.270 nan 0.000 0.429 124 K N 0.888 121.109 120.400 -0.298 0.000 2.103 124 K HA 0.029 4.349 4.320 0.000 0.000 0.204 124 K C 1.843 178.316 176.600 -0.211 0.000 1.052 124 K CA 1.174 57.236 56.287 -0.376 0.000 0.945 124 K CB -0.413 31.593 32.500 -0.824 0.000 0.722 124 K HN 0.111 nan 8.250 nan 0.000 0.443 125 A N 0.355 123.085 122.820 -0.150 0.000 1.933 125 A HA -0.207 4.114 4.320 0.000 0.000 0.218 125 A C 2.150 179.718 177.584 -0.025 0.000 1.175 125 A CA 1.844 53.861 52.037 -0.033 0.000 0.628 125 A CB -0.652 18.399 19.000 0.086 0.000 0.814 125 A HN 0.456 nan 8.150 nan 0.000 0.444 126 Q N 0.096 119.872 119.800 -0.040 0.000 2.084 126 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 126 Q C 1.951 177.932 176.000 -0.032 0.000 0.978 126 Q CA 2.251 58.038 55.803 -0.027 0.000 0.844 126 Q CB -0.352 28.369 28.738 -0.028 0.000 0.898 126 Q HN 0.763 nan 8.270 nan 0.000 0.426 127 E N -0.590 119.578 120.200 -0.053 0.000 2.077 127 E HA -0.170 4.180 4.350 0.000 0.000 0.193 127 E C 1.903 178.482 176.600 -0.034 0.000 0.989 127 E CA 1.115 57.487 56.400 -0.045 0.000 0.800 127 E CB -0.151 29.510 29.700 -0.064 0.000 0.746 127 E HN 0.452 nan 8.360 nan 0.000 0.452 128 L N 0.584 121.783 121.223 -0.041 0.000 2.083 128 L HA -0.189 4.151 4.340 0.000 0.000 0.209 128 L C 2.548 179.416 176.870 -0.003 0.000 1.083 128 L CA 0.710 55.538 54.840 -0.020 0.000 0.752 128 L CB -0.300 41.747 42.059 -0.021 0.000 0.899 128 L HN 0.258 nan 8.230 nan 0.000 0.433 129 L N -0.390 120.830 121.223 -0.005 0.000 2.056 129 L HA -0.202 4.138 4.340 0.000 0.000 0.207 129 L C 2.528 179.399 176.870 0.002 0.000 1.078 129 L CA 1.357 56.199 54.840 0.003 0.000 0.749 129 L CB -0.389 41.672 42.059 0.002 0.000 0.901 129 L HN 0.198 nan 8.230 nan 0.000 0.433 130 K N -0.885 119.513 120.400 -0.003 0.000 2.362 130 K HA -0.073 4.247 4.320 0.000 0.000 0.200 130 K C 1.856 178.455 176.600 -0.001 0.000 1.046 130 K CA 1.253 57.539 56.287 -0.002 0.000 0.952 130 K CB -0.059 32.437 32.500 -0.006 0.000 0.753 130 K HN 0.284 nan 8.250 nan 0.000 0.466 131 T N 1.274 115.828 114.554 -0.000 0.000 3.035 131 T HA 0.046 4.396 4.350 0.000 0.000 0.259 131 T C 1.736 176.440 174.700 0.007 0.000 1.078 131 T CA 0.569 62.670 62.100 0.002 0.000 1.132 131 T CB 0.070 68.938 68.868 0.001 0.000 0.900 131 T HN 0.347 nan 8.240 nan 0.000 0.480 132 I N -0.861 119.716 120.570 0.012 0.000 3.968 132 I HA 0.536 4.706 4.170 0.000 0.000 0.328 132 I C 0.941 177.067 176.117 0.015 0.000 1.290 132 I CA -0.673 60.638 61.300 0.018 0.000 1.163 132 I CB -0.254 37.766 38.000 0.033 0.000 1.024 132 I HN -0.095 nan 8.210 nan 0.000 0.413 133 A N 1.597 124.424 122.820 0.011 0.000 2.546 133 A HA 0.129 4.449 4.320 0.000 0.000 0.243 133 A C 0.083 177.671 177.584 0.007 0.000 1.063 133 A CA 0.032 52.074 52.037 0.009 0.000 0.757 133 A CB -0.244 18.759 19.000 0.006 0.000 0.991 133 A HN 0.640 nan 8.150 nan 0.000 0.503 134 C N 3.666 122.970 119.300 0.008 0.000 2.255 134 C HA 0.539 4.999 4.460 0.000 0.000 0.326 134 C C 0.356 175.349 174.990 0.005 0.000 1.258 134 C CA -0.641 58.381 59.018 0.006 0.000 1.676 134 C CB -0.349 27.396 27.740 0.008 0.000 2.314 134 C HN 0.941 nan 8.230 nan 0.000 0.509 135 E N 3.681 123.883 120.200 0.004 0.000 2.351 135 E HA 0.405 4.755 4.350 0.000 0.000 0.266 135 E C -0.092 176.509 176.600 0.003 0.000 1.031 135 E CA 0.229 56.631 56.400 0.003 0.000 0.911 135 E CB 0.643 30.344 29.700 0.002 0.000 0.986 135 E HN 0.712 nan 8.360 nan 0.000 0.446 136 V N 1.474 121.390 119.914 0.003 0.000 3.102 136 V HA 0.840 4.960 4.120 0.000 0.000 0.312 136 V C 0.515 176.610 176.094 0.003 0.000 1.135 136 V CA -0.793 61.508 62.300 0.003 0.000 1.022 136 V CB 1.645 33.470 31.823 0.003 0.000 1.056 136 V HN 0.672 nan 8.190 nan 0.000 0.436 137 G N 0.419 109.221 108.800 0.002 0.000 2.343 137 G HA2 0.463 4.424 3.960 0.000 0.000 0.254 137 G HA3 0.463 4.424 3.960 0.000 0.000 0.254 137 G C 0.995 175.896 174.900 0.003 0.000 1.277 137 G CA 0.193 45.294 45.100 0.003 0.000 0.909 137 G HN 1.670 nan 8.290 nan 0.000 0.502 138 A N 2.140 124.962 122.820 0.003 0.000 1.940 138 A HA -0.124 4.197 4.320 0.000 0.000 0.219 138 A C 1.930 179.516 177.584 0.004 0.000 1.176 138 A CA 1.856 53.895 52.037 0.004 0.000 0.631 138 A CB -0.069 18.934 19.000 0.004 0.000 0.814 138 A HN 0.641 nan 8.150 nan 0.000 0.446 139 Q N -0.484 119.318 119.800 0.004 0.000 2.155 139 Q HA 0.120 4.460 4.340 0.000 0.000 0.220 139 Q C -0.829 175.173 176.000 0.003 0.000 0.819 139 Q CA -0.267 55.539 55.803 0.004 0.000 1.032 139 Q CB 0.183 28.924 28.738 0.006 0.000 1.151 139 Q HN 0.579 nan 8.270 nan 0.000 0.487 140 D N 1.012 121.414 120.400 0.003 0.000 2.412 140 D HA -0.073 4.567 4.640 0.000 0.000 0.257 140 D C 1.262 177.563 176.300 0.001 0.000 1.217 140 D CA 0.223 54.224 54.000 0.002 0.000 0.897 140 D CB 0.907 41.708 40.800 0.002 0.000 1.132 140 D HN -0.030 nan 8.370 nan 0.000 0.493 141 K N 3.485 123.886 120.400 0.001 0.000 2.032 141 K HA -0.265 4.055 4.320 0.000 0.000 0.218 141 K C 1.238 177.837 176.600 -0.001 0.000 1.054 141 K CA 1.546 57.833 56.287 -0.000 0.000 0.941 141 K CB -0.019 32.481 32.500 -0.000 0.000 0.720 141 K HN 0.584 nan 8.250 nan 0.000 0.449 142 E N 0.570 120.769 120.200 -0.002 0.000 2.023 142 E HA -0.203 4.147 4.350 0.000 0.000 0.196 142 E C 2.134 178.733 176.600 -0.003 0.000 1.003 142 E CA 1.183 57.581 56.400 -0.003 0.000 0.809 142 E CB -0.458 29.240 29.700 -0.003 0.000 0.755 142 E HN 0.324 nan 8.360 nan 0.000 0.449 143 I N 0.726 121.296 120.570 -0.001 0.000 2.493 143 I HA -0.211 3.959 4.170 0.000 0.000 0.254 143 I C 2.087 178.204 176.117 0.000 0.000 1.160 143 I CA 0.637 61.937 61.300 -0.000 0.000 1.445 143 I CB -0.094 37.907 38.000 0.001 0.000 1.086 143 I HN 0.014 nan 8.210 nan 0.000 0.433 144 L N -0.154 121.069 121.223 0.000 0.000 2.093 144 L HA -0.161 4.179 4.340 0.000 0.000 0.208 144 L C 2.469 179.338 176.870 -0.001 0.000 1.085 144 L CA 1.925 56.765 54.840 0.000 0.000 0.755 144 L CB -1.360 40.700 42.059 0.000 0.000 0.904 144 L HN 0.201 nan 8.230 nan 0.000 0.435 145 T N -1.434 113.119 114.554 -0.002 0.000 2.867 145 T HA -0.154 4.196 4.350 0.000 0.000 0.268 145 T C 1.957 176.654 174.700 -0.005 0.000 1.057 145 T CA 1.028 63.126 62.100 -0.004 0.000 1.136 145 T CB 0.035 68.900 68.868 -0.006 0.000 0.874 145 T HN 0.059 nan 8.240 nan 0.000 0.466 146 K N 0.774 121.172 120.400 -0.004 0.000 2.103 146 K HA 0.157 4.477 4.320 0.000 0.000 0.204 146 K C 2.032 178.633 176.600 0.001 0.000 1.052 146 K CA 0.532 56.817 56.287 -0.004 0.000 0.945 146 K CB -0.335 32.164 32.500 -0.003 0.000 0.722 146 K HN 0.201 nan 8.250 nan 0.000 0.443 147 I N 0.741 121.313 120.570 0.003 0.000 2.142 147 I HA -0.206 3.964 4.170 0.000 0.000 0.240 147 I C 2.161 178.282 176.117 0.006 0.000 1.078 147 I CA 1.502 62.805 61.300 0.006 0.000 1.343 147 I CB -1.359 36.644 38.000 0.005 0.000 1.046 147 I HN 0.082 nan 8.210 nan 0.000 0.405 148 A N 0.640 123.463 122.820 0.004 0.000 1.883 148 A HA -0.282 4.038 4.320 0.000 0.000 0.217 148 A C 2.471 180.058 177.584 0.005 0.000 1.186 148 A CA 2.206 54.245 52.037 0.004 0.000 0.624 148 A CB -0.732 18.268 19.000 0.001 0.000 0.822 148 A HN 0.480 nan 8.150 nan 0.000 0.444 149 M N 0.307 119.907 119.600 0.002 0.000 2.086 149 M HA -0.169 4.311 4.480 0.000 0.000 0.261 149 M C 2.268 178.574 176.300 0.010 0.000 1.067 149 M CA 2.556 57.855 55.300 -0.001 0.000 1.116 149 M CB -0.505 32.088 32.600 -0.013 0.000 1.348 149 M HN 0.600 nan 8.290 nan 0.000 0.407 150 T N -2.458 112.105 114.554 0.015 0.000 2.867 150 T HA -0.093 4.257 4.350 0.000 0.000 0.268 150 T C 1.979 176.701 174.700 0.038 0.000 1.057 150 T CA 1.588 63.708 62.100 0.033 0.000 1.136 150 T CB -0.687 68.200 68.868 0.032 0.000 0.874 150 T HN 0.486 nan 8.240 nan 0.000 0.466 151 S N 1.164 116.879 115.700 0.025 0.000 2.355 151 S HA -0.005 4.465 4.470 0.000 0.000 0.222 151 S C 2.031 176.647 174.600 0.026 0.000 1.031 151 S CA 0.935 59.148 58.200 0.022 0.000 0.993 151 S CB -0.669 62.539 63.200 0.014 0.000 0.859 151 S HN 0.585 nan 8.310 nan 0.000 0.453 152 I N 1.714 122.299 120.570 0.024 0.000 2.264 152 I HA -0.116 4.054 4.170 0.000 0.000 0.248 152 I C 1.355 177.496 176.117 0.041 0.000 1.111 152 I CA 1.015 62.331 61.300 0.026 0.000 1.382 152 I CB -0.961 37.050 38.000 0.018 0.000 1.060 152 I HN 0.452 nan 8.210 nan 0.000 0.418 153 T N -0.770 113.819 114.554 0.059 0.000 2.900 153 T HA 0.367 4.717 4.350 0.000 0.000 0.307 153 T C 1.144 175.905 174.700 0.102 0.000 1.065 153 T CA 0.056 62.219 62.100 0.106 0.000 1.105 153 T CB 1.379 70.348 68.868 0.168 0.000 0.979 153 T HN 0.598 nan 8.240 nan 0.000 0.544 154 G N 1.398 110.269 108.800 0.117 0.000 2.176 154 G HA2 -0.205 3.755 3.960 0.000 0.000 0.253 154 G HA3 -0.205 3.755 3.960 0.000 0.000 0.253 154 G C -0.039 174.883 174.900 0.036 0.000 0.979 154 G CA 0.409 45.544 45.100 0.059 0.000 0.641 154 G HN 0.935 nan 8.290 nan 0.000 0.530 155 K N -0.906 119.520 120.400 0.044 0.000 2.352 155 K HA 0.609 4.929 4.320 0.000 0.000 0.240 155 K C 1.542 178.162 176.600 0.034 0.000 1.017 155 K CA -0.539 55.767 56.287 0.030 0.000 0.851 155 K CB 1.280 33.796 32.500 0.026 0.000 1.261 155 K HN 0.169 nan 8.250 nan 0.000 0.451 156 G N 0.391 109.207 108.800 0.027 0.000 2.448 156 G HA2 -0.252 3.709 3.960 0.000 0.000 0.219 156 G HA3 -0.252 3.709 3.960 0.000 0.000 0.219 156 G C 1.265 176.182 174.900 0.028 0.000 1.127 156 G CA 1.110 46.227 45.100 0.027 0.000 0.766 156 G HN 0.613 nan 8.290 nan 0.000 0.552 157 A N 1.532 124.368 122.820 0.026 0.000 2.121 157 A HA 0.004 4.325 4.320 0.000 0.000 0.218 157 A C 2.135 179.733 177.584 0.023 0.000 1.154 157 A CA 1.669 53.720 52.037 0.023 0.000 0.679 157 A CB -0.385 18.627 19.000 0.021 0.000 0.795 157 A HN 0.655 nan 8.150 nan 0.000 0.458 158 E N 0.528 120.747 120.200 0.031 0.000 2.401 158 E HA -0.216 4.134 4.350 0.000 0.000 0.199 158 E C 1.457 178.068 176.600 0.020 0.000 1.023 158 E CA 1.229 57.648 56.400 0.031 0.000 0.859 158 E CB -0.318 29.418 29.700 0.059 0.000 0.780 158 E HN 0.612 nan 8.360 nan 0.000 0.523 159 K N 0.492 120.904 120.400 0.021 0.000 2.147 159 K HA -0.063 4.257 4.320 0.000 0.000 0.205 159 K C 1.388 177.992 176.600 0.006 0.000 1.049 159 K CA 1.290 57.586 56.287 0.014 0.000 0.936 159 K CB 0.055 32.565 32.500 0.017 0.000 0.722 159 K HN 0.229 nan 8.250 nan 0.000 0.446 160 A N 1.268 124.092 122.820 0.006 0.000 2.631 160 A HA 0.079 4.399 4.320 0.000 0.000 0.294 160 A C 1.173 178.757 177.584 -0.000 0.000 1.156 160 A CA -0.489 51.550 52.037 0.002 0.000 0.963 160 A CB -0.097 18.907 19.000 0.006 0.000 1.202 160 A HN 0.253 nan 8.150 nan 0.000 0.523 161 K N 0.117 120.516 120.400 -0.002 0.000 2.286 161 K HA -0.223 4.097 4.320 0.000 0.000 0.203 161 K C 0.841 177.435 176.600 -0.009 0.000 1.045 161 K CA 1.969 58.254 56.287 -0.004 0.000 0.935 161 K CB -0.110 32.384 32.500 -0.009 0.000 0.737 161 K HN 0.348 nan 8.250 nan 0.000 0.460 162 E N 1.437 121.629 120.200 -0.013 0.000 2.046 162 E HA -0.137 4.213 4.350 0.000 0.000 0.190 162 E C 1.930 178.525 176.600 -0.007 0.000 0.982 162 E CA 1.346 57.738 56.400 -0.013 0.000 0.800 162 E CB -0.049 29.642 29.700 -0.016 0.000 0.756 162 E HN 0.305 nan 8.360 nan 0.000 0.449 163 K N 0.278 120.676 120.400 -0.004 0.000 2.057 163 K HA -0.072 4.248 4.320 0.000 0.000 0.206 163 K C 1.667 178.268 176.600 0.001 0.000 1.050 163 K CA 0.794 57.081 56.287 -0.001 0.000 0.935 163 K CB -0.229 32.272 32.500 0.002 0.000 0.715 163 K HN -0.014 nan 8.250 nan 0.000 0.439 164 L N 0.680 121.904 121.223 0.002 0.000 2.083 164 L HA -0.001 4.339 4.340 0.000 0.000 0.209 164 L C 2.301 179.172 176.870 0.002 0.000 1.083 164 L CA 1.934 56.776 54.840 0.004 0.000 0.752 164 L CB -1.150 40.912 42.059 0.006 0.000 0.899 164 L HN 0.293 nan 8.230 nan 0.000 0.433 165 A N -0.820 122.000 122.820 -0.000 0.000 1.902 165 A HA -0.252 4.068 4.320 0.000 0.000 0.217 165 A C 2.360 179.943 177.584 -0.002 0.000 1.181 165 A CA 1.715 53.751 52.037 -0.002 0.000 0.623 165 A CB -0.563 18.434 19.000 -0.004 0.000 0.818 165 A HN 0.493 nan 8.150 nan 0.000 0.443 166 E N -0.131 120.068 120.200 -0.002 0.000 2.077 166 E HA -0.183 4.167 4.350 0.000 0.000 0.193 166 E C 1.865 178.465 176.600 -0.000 0.000 0.989 166 E CA 1.349 57.748 56.400 -0.001 0.000 0.800 166 E CB -0.245 29.454 29.700 -0.001 0.000 0.746 166 E HN 0.665 nan 8.360 nan 0.000 0.452 167 I N 0.953 121.523 120.570 0.001 0.000 2.226 167 I HA -0.272 3.899 4.170 0.000 0.000 0.245 167 I C 2.224 178.341 176.117 -0.000 0.000 1.100 167 I CA 0.642 61.943 61.300 0.002 0.000 1.374 167 I CB -0.173 37.830 38.000 0.005 0.000 1.057 167 I HN 0.259 nan 8.210 nan 0.000 0.413 168 I N 0.526 121.095 120.570 -0.001 0.000 2.353 168 I HA -0.142 4.029 4.170 0.000 0.000 0.248 168 I C 2.681 178.795 176.117 -0.004 0.000 1.119 168 I CA 1.420 62.719 61.300 -0.003 0.000 1.417 168 I CB -1.018 36.982 38.000 -0.001 0.000 1.078 168 I HN 0.199 nan 8.210 nan 0.000 0.421 169 V N -1.107 118.806 119.914 -0.003 0.000 2.809 169 V HA -0.120 4.000 4.120 0.000 0.000 0.256 169 V C 2.179 178.271 176.094 -0.004 0.000 1.080 169 V CA 1.582 63.880 62.300 -0.003 0.000 1.102 169 V CB -0.821 31.001 31.823 -0.002 0.000 0.705 169 V HN 0.434 nan 8.190 nan 0.000 0.475 170 E N 1.079 121.277 120.200 -0.004 0.000 2.076 170 E HA -0.038 4.312 4.350 0.000 0.000 0.190 170 E C 2.206 178.799 176.600 -0.011 0.000 0.979 170 E CA 1.120 57.517 56.400 -0.005 0.000 0.807 170 E CB -0.241 29.457 29.700 -0.003 0.000 0.761 170 E HN 0.642 nan 8.360 nan 0.000 0.454 171 A N 0.741 123.554 122.820 -0.012 0.000 1.858 171 A HA -0.139 4.181 4.320 0.000 0.000 0.216 171 A C 2.387 179.958 177.584 -0.022 0.000 1.190 171 A CA 1.607 53.633 52.037 -0.018 0.000 0.617 171 A CB -0.780 18.211 19.000 -0.015 0.000 0.827 171 A HN 0.226 nan 8.150 nan 0.000 0.443 172 V N -0.280 119.625 119.914 -0.015 0.000 2.515 172 V HA -0.169 3.951 4.120 0.000 0.000 0.250 172 V C 2.762 178.848 176.094 -0.014 0.000 1.058 172 V CA 2.154 64.445 62.300 -0.014 0.000 1.064 172 V CB -0.590 31.228 31.823 -0.009 0.000 0.675 172 V HN 0.671 nan 8.190 nan 0.000 0.461 173 S N -0.010 115.683 115.700 -0.011 0.000 2.383 173 S HA -0.118 4.352 4.470 0.000 0.000 0.227 173 S C 2.108 176.699 174.600 -0.015 0.000 1.026 173 S CA 1.456 59.652 58.200 -0.008 0.000 0.981 173 S CB -0.186 63.012 63.200 -0.003 0.000 0.818 173 S HN 0.596 nan 8.310 nan 0.000 0.472 174 A N 1.066 123.867 122.820 -0.031 0.000 1.873 174 A HA 0.026 4.346 4.320 0.000 0.000 0.215 174 A C 2.373 179.902 177.584 -0.091 0.000 1.186 174 A CA 1.755 53.754 52.037 -0.063 0.000 0.616 174 A CB -0.981 17.978 19.000 -0.068 0.000 0.823 174 A HN 0.941 nan 8.150 nan 0.000 0.442 175 V N -3.066 116.809 119.914 -0.065 0.000 2.788 175 V HA -0.007 4.113 4.120 0.000 0.000 0.251 175 V C 2.093 178.166 176.094 -0.035 0.000 1.068 175 V CA 1.483 63.745 62.300 -0.063 0.000 1.090 175 V CB -0.547 31.247 31.823 -0.048 0.000 0.710 175 V HN 0.205 nan 8.190 nan 0.000 0.467 176 V N 0.499 120.401 119.914 -0.019 0.000 2.515 176 V HA -0.093 4.027 4.120 0.000 0.000 0.250 176 V C 1.610 177.713 176.094 0.015 0.000 1.058 176 V CA 2.403 64.702 62.300 -0.002 0.000 1.064 176 V CB -0.533 31.291 31.823 0.001 0.000 0.675 176 V HN 0.869 nan 8.190 nan 0.000 0.461 177 D N -0.758 119.656 120.400 0.024 0.000 4.344 177 D HA -0.223 4.417 4.640 0.000 0.000 0.144 177 D C 0.552 176.885 176.300 0.056 0.000 0.730 177 D CA 1.934 55.978 54.000 0.073 0.000 1.156 177 D CB -1.242 39.623 40.800 0.109 0.000 0.570 177 D HN 0.565 nan 8.370 nan 0.000 0.533 178 D N 1.636 122.064 120.400 0.047 0.000 2.398 178 D HA 0.236 4.876 4.640 0.000 0.000 0.247 178 D C -0.238 176.075 176.300 0.020 0.000 1.227 178 D CA 0.168 54.186 54.000 0.030 0.000 0.980 178 D CB 0.611 41.425 40.800 0.024 0.000 1.106 178 D HN 0.261 nan 8.370 nan 0.000 0.493 179 E N 0.030 120.239 120.200 0.015 0.000 2.079 179 E HA 0.518 4.868 4.350 0.000 0.000 0.252 179 E C -0.702 175.903 176.600 0.009 0.000 0.992 179 E CA -0.509 55.898 56.400 0.011 0.000 0.829 179 E CB -0.343 29.362 29.700 0.009 0.000 1.158 179 E HN 0.515 nan 8.360 nan 0.000 0.435 180 G N 2.746 111.551 108.800 0.008 0.000 2.358 180 G HA2 0.173 4.133 3.960 0.000 0.000 0.303 180 G HA3 0.173 4.133 3.960 0.000 0.000 0.303 180 G C -1.867 173.037 174.900 0.007 0.000 1.537 180 G CA -0.844 44.261 45.100 0.009 0.000 0.928 180 G HN 0.194 nan 8.290 nan 0.000 0.656 181 K N 0.434 120.838 120.400 0.006 0.000 2.561 181 K HA 0.578 4.898 4.320 0.000 0.000 0.254 181 K C -1.425 175.176 176.600 0.002 0.000 0.942 181 K CA -0.539 55.751 56.287 0.004 0.000 0.818 181 K CB 2.307 34.810 32.500 0.004 0.000 1.306 181 K HN 0.601 nan 8.250 nan 0.000 0.435 182 V N 2.930 122.844 119.914 -0.000 0.000 2.459 182 V HA 0.346 4.466 4.120 0.000 0.000 0.295 182 V C -0.539 175.552 176.094 -0.005 0.000 1.029 182 V CA -0.725 61.573 62.300 -0.003 0.000 0.874 182 V CB 1.677 33.498 31.823 -0.004 0.000 0.985 182 V HN 0.673 nan 8.190 nan 0.000 0.438 183 D N 3.311 123.706 120.400 -0.008 0.000 2.471 183 D HA 0.240 4.880 4.640 0.000 0.000 0.245 183 D C 0.777 177.070 176.300 -0.013 0.000 1.116 183 D CA -0.553 53.441 54.000 -0.009 0.000 0.853 183 D CB 1.815 42.610 40.800 -0.009 0.000 1.123 183 D HN 0.523 nan 8.370 nan 0.000 0.540 184 K N 2.732 123.125 120.400 -0.012 0.000 2.218 184 K HA -0.236 4.084 4.320 0.000 0.000 0.205 184 K C 0.921 177.510 176.600 -0.018 0.000 1.046 184 K CA 1.400 57.679 56.287 -0.014 0.000 0.933 184 K CB 0.162 32.656 32.500 -0.011 0.000 0.728 184 K HN 0.349 nan 8.250 nan 0.000 0.454 185 D N 0.260 120.649 120.400 -0.018 0.000 2.309 185 D HA -0.126 4.514 4.640 0.000 0.000 0.212 185 D C 1.483 177.766 176.300 -0.029 0.000 0.968 185 D CA 0.777 54.763 54.000 -0.023 0.000 0.882 185 D CB 0.115 40.903 40.800 -0.020 0.000 0.918 185 D HN 0.282 nan 8.370 nan 0.000 0.503 186 L N -0.355 120.851 121.223 -0.028 0.000 2.492 186 L HA 0.171 4.511 4.340 0.000 0.000 0.223 186 L C 0.410 177.257 176.870 -0.039 0.000 1.132 186 L CA 0.205 55.024 54.840 -0.035 0.000 0.850 186 L CB 0.152 42.191 42.059 -0.032 0.000 0.966 186 L HN 0.015 nan 8.230 nan 0.000 0.454 187 I N 0.629 121.178 120.570 -0.034 0.000 2.420 187 I HA 0.180 4.350 4.170 0.000 0.000 0.282 187 I C 0.022 176.118 176.117 -0.035 0.000 1.019 187 I CA -0.394 60.886 61.300 -0.034 0.000 1.130 187 I CB 1.629 39.614 38.000 -0.026 0.000 1.262 187 I HN -0.040 nan 8.210 nan 0.000 0.454 188 K N 6.766 127.139 120.400 -0.044 0.000 2.249 188 K HA 0.406 4.726 4.320 0.000 0.000 0.280 188 K C -0.635 175.941 176.600 -0.041 0.000 1.033 188 K CA -0.479 55.779 56.287 -0.047 0.000 0.946 188 K CB 0.905 33.366 32.500 -0.065 0.000 1.005 188 K HN 0.459 nan 8.250 nan 0.000 0.469 189 I N 4.256 124.805 120.570 -0.035 0.000 2.347 189 I HA 0.184 4.354 4.170 0.000 0.000 0.283 189 I C -0.217 175.881 176.117 -0.032 0.000 1.058 189 I CA -0.550 60.733 61.300 -0.027 0.000 1.202 189 I CB 0.425 38.414 38.000 -0.018 0.000 1.386 189 I HN 0.668 nan 8.210 nan 0.000 0.475 190 E N 6.777 126.954 120.200 -0.037 0.000 2.204 190 E HA 0.590 4.940 4.350 0.000 0.000 0.276 190 E C -0.783 175.801 176.600 -0.025 0.000 0.974 190 E CA -0.633 55.741 56.400 -0.043 0.000 0.815 190 E CB 1.396 31.052 29.700 -0.073 0.000 1.119 190 E HN 0.544 nan 8.360 nan 0.000 0.393 191 K N 1.923 122.310 120.400 -0.022 0.000 2.468 191 K HA 0.697 5.017 4.320 0.000 0.000 0.252 191 K C -1.251 175.344 176.600 -0.008 0.000 0.932 191 K CA -1.183 55.098 56.287 -0.010 0.000 0.794 191 K CB 1.842 34.337 32.500 -0.009 0.000 1.241 191 K HN 0.189 nan 8.250 nan 0.000 0.428 192 K N 1.600 122.002 120.400 0.004 0.000 2.588 192 K HA 0.191 4.511 4.320 0.000 0.000 0.250 192 K C -1.000 175.608 176.600 0.012 0.000 0.972 192 K CA -0.341 55.951 56.287 0.009 0.000 0.821 192 K CB 1.910 34.426 32.500 0.025 0.000 1.249 192 K HN 0.852 nan 8.250 nan 0.000 0.442 193 S N 2.002 117.703 115.700 0.001 0.000 2.576 193 S HA 0.685 5.155 4.470 0.000 0.000 0.272 193 S C 0.531 175.137 174.600 0.011 0.000 1.352 193 S CA 0.501 58.701 58.200 0.001 0.000 1.021 193 S CB 0.513 63.707 63.200 -0.011 0.000 0.887 193 S HN 1.384 nan 8.310 nan 0.000 0.542 194 G N -0.064 108.743 108.800 0.011 0.000 2.484 194 G HA2 0.483 4.443 3.960 0.000 0.000 0.685 194 G HA3 0.483 4.443 3.960 0.000 0.000 0.685 194 G C -0.061 174.849 174.900 0.015 0.000 1.294 194 G CA -0.008 45.100 45.100 0.013 0.000 0.879 194 G HN 2.454 nan 8.290 nan 0.000 0.646 195 A N -0.710 122.118 122.820 0.013 0.000 5.953 195 A HA 0.384 4.704 4.320 0.000 0.000 0.267 195 A C 1.163 178.754 177.584 0.012 0.000 2.116 195 A CA 1.981 54.025 52.037 0.012 0.000 0.711 195 A CB -1.624 17.385 19.000 0.015 0.000 1.100 195 A HN 2.726 nan 8.150 nan 0.000 0.364 196 S N -2.590 113.118 115.700 0.013 0.000 2.810 196 S HA 0.750 5.220 4.470 0.000 0.000 0.315 196 S C 1.302 175.911 174.600 0.014 0.000 1.138 196 S CA 0.011 58.218 58.200 0.013 0.000 0.889 196 S CB 0.921 64.127 63.200 0.011 0.000 1.236 196 S HN 0.967 nan 8.310 nan 0.000 0.548 197 I N 1.195 121.773 120.570 0.015 0.000 2.315 197 I HA -0.092 4.078 4.170 0.000 0.000 0.248 197 I C 1.931 178.056 176.117 0.013 0.000 1.117 197 I CA 1.392 62.701 61.300 0.015 0.000 1.404 197 I CB -0.302 37.708 38.000 0.015 0.000 1.071 197 I HN 0.694 nan 8.210 nan 0.000 0.419 198 D N 1.016 121.422 120.400 0.011 0.000 2.218 198 D HA -0.210 4.430 4.640 0.000 0.000 0.204 198 D C 1.593 177.898 176.300 0.010 0.000 0.976 198 D CA 1.140 55.145 54.000 0.008 0.000 0.853 198 D CB -0.016 40.788 40.800 0.005 0.000 0.939 198 D HN 0.248 nan 8.370 nan 0.000 0.481 199 D N -0.434 119.973 120.400 0.012 0.000 2.347 199 D HA -0.037 4.603 4.640 0.000 0.000 0.215 199 D C 0.239 176.552 176.300 0.022 0.000 0.976 199 D CA 0.391 54.400 54.000 0.014 0.000 0.884 199 D CB -0.189 40.620 40.800 0.014 0.000 0.915 199 D HN 0.162 nan 8.370 nan 0.000 0.526 200 T N 1.513 116.080 114.554 0.022 0.000 2.933 200 T HA 0.085 4.435 4.350 0.000 0.000 0.306 200 T C 0.303 175.019 174.700 0.027 0.000 1.045 200 T CA 0.689 62.804 62.100 0.026 0.000 1.143 200 T CB 0.966 69.845 68.868 0.019 0.000 1.003 200 T HN 0.033 nan 8.240 nan 0.000 0.540 201 E N 1.626 121.848 120.200 0.037 0.000 2.372 201 E HA 0.527 4.877 4.350 0.000 0.000 0.279 201 E C -1.890 174.737 176.600 0.045 0.000 0.946 201 E CA -0.830 55.593 56.400 0.039 0.000 0.769 201 E CB 1.087 30.814 29.700 0.046 0.000 1.230 201 E HN 0.367 nan 8.360 nan 0.000 0.442 202 L N 3.900 125.144 121.223 0.035 0.000 2.289 202 L HA 0.622 4.962 4.340 0.000 0.000 0.285 202 L C -1.247 175.649 176.870 0.043 0.000 1.049 202 L CA -0.247 54.610 54.840 0.028 0.000 0.804 202 L CB 0.842 42.908 42.059 0.012 0.000 1.195 202 L HN 0.596 nan 8.230 nan 0.000 0.428 203 I N 4.751 125.348 120.570 0.045 0.000 2.354 203 I HA 0.300 4.470 4.170 0.000 0.000 0.286 203 I C -0.106 176.027 176.117 0.026 0.000 1.007 203 I CA -0.442 60.897 61.300 0.065 0.000 1.167 203 I CB 1.196 39.264 38.000 0.114 0.000 1.320 203 I HN 0.425 nan 8.210 nan 0.000 0.458 204 K N 5.266 125.680 120.400 0.023 0.000 2.199 204 K HA 0.551 4.871 4.320 0.000 0.000 0.226 204 K C 0.513 177.112 176.600 -0.001 0.000 1.237 204 K CA -0.077 56.209 56.287 -0.001 0.000 1.170 204 K CB -0.285 32.214 32.500 -0.003 0.000 1.418 204 K HN 0.869 nan 8.250 nan 0.000 0.255 205 G N -1.374 107.418 108.800 -0.012 0.000 2.512 205 G HA2 0.166 4.127 3.960 0.000 0.000 0.181 205 G HA3 0.166 4.127 3.960 0.000 0.000 0.181 205 G C -1.623 173.248 174.900 -0.048 0.000 1.173 205 G CA -0.739 44.349 45.100 -0.021 0.000 0.988 205 G HN 0.043 nan 8.290 nan 0.000 0.485 206 V N 0.834 120.709 119.914 -0.064 0.000 2.531 206 V HA 0.694 4.814 4.120 0.000 0.000 0.301 206 V C -0.904 175.101 176.094 -0.148 0.000 1.034 206 V CA -0.592 61.637 62.300 -0.119 0.000 0.865 206 V CB 1.451 33.172 31.823 -0.171 0.000 0.995 206 V HN 0.889 nan 8.190 nan 0.000 0.424 207 L N 7.606 128.705 121.223 -0.207 0.000 2.305 207 L HA 0.843 5.183 4.340 0.000 0.000 0.284 207 L C -0.384 176.328 176.870 -0.263 0.000 1.013 207 L CA -0.178 54.450 54.840 -0.354 0.000 0.819 207 L CB 1.649 43.391 42.059 -0.528 0.000 1.227 207 L HN 0.582 nan 8.230 nan 0.000 0.417 208 V N 1.584 121.365 119.914 -0.222 0.000 2.769 208 V HA 0.634 4.754 4.120 0.000 0.000 0.312 208 V C -0.369 175.667 176.094 -0.096 0.000 1.061 208 V CA -0.523 61.701 62.300 -0.128 0.000 0.931 208 V CB 1.820 33.602 31.823 -0.068 0.000 1.010 208 V HN 0.812 nan 8.190 nan 0.000 0.433 209 D N 1.001 121.365 120.400 -0.060 0.000 3.134 209 D HA 0.327 4.967 4.640 0.000 0.000 0.248 209 D C -0.115 176.188 176.300 0.005 0.000 1.273 209 D CA -0.218 53.763 54.000 -0.032 0.000 0.904 209 D CB 0.216 40.998 40.800 -0.030 0.000 1.089 209 D HN 0.547 nan 8.370 nan 0.000 0.478 210 K N 0.237 120.655 120.400 0.029 0.000 2.352 210 K HA 0.558 4.878 4.320 0.000 0.000 0.240 210 K C 0.002 176.635 176.600 0.055 0.000 1.017 210 K CA -0.865 55.455 56.287 0.055 0.000 0.851 210 K CB 1.942 34.503 32.500 0.102 0.000 1.261 210 K HN 0.294 nan 8.250 nan 0.000 0.451 211 E N -0.156 120.069 120.200 0.042 0.000 2.416 211 E HA 0.455 4.805 4.350 0.000 0.000 0.273 211 E C -0.965 175.637 176.600 0.005 0.000 0.935 211 E CA -1.091 55.326 56.400 0.029 0.000 0.784 211 E CB 1.447 31.162 29.700 0.024 0.000 1.301 211 E HN 0.281 nan 8.360 nan 0.000 0.454 212 R N 0.922 121.418 120.500 -0.006 0.000 2.401 212 R HA 0.075 4.415 4.340 0.000 0.000 0.299 212 R C 1.338 177.625 176.300 -0.023 0.000 1.064 212 R CA 0.252 56.332 56.100 -0.032 0.000 1.000 212 R CB 0.878 31.159 30.300 -0.031 0.000 0.973 212 R HN 0.577 nan 8.270 nan 0.000 0.438 213 V N -0.139 119.757 119.914 -0.030 0.000 2.867 213 V HA -0.115 4.005 4.120 0.000 0.000 0.260 213 V C 0.772 176.859 176.094 -0.012 0.000 1.099 213 V CA 1.226 63.516 62.300 -0.017 0.000 1.122 213 V CB -0.153 31.660 31.823 -0.018 0.000 0.708 213 V HN 0.561 nan 8.190 nan 0.000 0.490 214 S N -1.011 114.678 115.700 -0.018 0.000 2.521 214 S HA 0.774 5.244 4.470 0.000 0.000 0.295 214 S C 0.873 175.465 174.600 -0.014 0.000 1.098 214 S CA -0.127 58.065 58.200 -0.013 0.000 0.999 214 S CB 1.858 65.047 63.200 -0.017 0.000 1.034 214 S HN 0.723 nan 8.310 nan 0.000 0.483 215 A N 3.021 125.837 122.820 -0.007 0.000 2.070 215 A HA -0.076 4.244 4.320 0.000 0.000 0.220 215 A C 1.873 179.450 177.584 -0.011 0.000 1.159 215 A CA 1.883 53.917 52.037 -0.006 0.000 0.656 215 A CB -0.673 18.326 19.000 -0.001 0.000 0.800 215 A HN 0.809 nan 8.150 nan 0.000 0.453 216 Q N -0.529 119.260 119.800 -0.017 0.000 2.378 216 Q HA 0.132 4.472 4.340 0.000 0.000 0.205 216 Q C 0.711 176.689 176.000 -0.037 0.000 0.954 216 Q CA 0.414 56.200 55.803 -0.028 0.000 0.901 216 Q CB -0.456 28.255 28.738 -0.045 0.000 0.981 216 Q HN 0.679 nan 8.270 nan 0.000 0.483 217 M N 2.249 121.827 119.600 -0.037 0.000 2.245 217 M HA 0.194 4.674 4.480 0.000 0.000 0.344 217 M C -1.920 174.363 176.300 -0.029 0.000 1.170 217 M CA -1.738 53.538 55.300 -0.040 0.000 1.135 217 M CB 0.389 32.963 32.600 -0.044 0.000 1.574 217 M HN -0.054 nan 8.290 nan 0.000 0.452 218 P HA -0.021 nan 4.420 nan 0.000 0.265 218 P C -0.237 177.055 177.300 -0.013 0.000 1.187 218 P CA 0.245 63.334 63.100 -0.018 0.000 0.766 218 P CB 0.467 32.156 31.700 -0.017 0.000 0.820 219 K N 2.256 122.652 120.400 -0.006 0.000 2.426 219 K HA 0.008 4.328 4.320 0.000 0.000 0.193 219 K C 0.148 176.754 176.600 0.010 0.000 1.028 219 K CA 0.479 56.767 56.287 0.002 0.000 1.047 219 K CB 0.094 32.595 32.500 0.002 0.000 0.821 219 K HN 0.448 nan 8.250 nan 0.000 0.513 220 K N -0.717 119.687 120.400 0.006 0.000 2.561 220 K HA 0.263 4.584 4.320 0.000 0.000 0.254 220 K C -1.541 175.065 176.600 0.009 0.000 0.942 220 K CA -0.942 55.352 56.287 0.012 0.000 0.818 220 K CB 2.047 34.551 32.500 0.007 0.000 1.306 220 K HN -0.218 nan 8.250 nan 0.000 0.435 221 V N 2.206 122.130 119.914 0.017 0.000 2.531 221 V HA 0.438 4.558 4.120 0.000 0.000 0.301 221 V C -0.158 175.950 176.094 0.023 0.000 1.034 221 V CA -0.527 61.781 62.300 0.014 0.000 0.865 221 V CB 1.814 33.642 31.823 0.009 0.000 0.995 221 V HN 0.997 nan 8.190 nan 0.000 0.424 222 T N 0.015 114.580 114.554 0.017 0.000 2.929 222 T HA 0.534 4.884 4.350 0.000 0.000 0.284 222 T C 0.178 174.890 174.700 0.021 0.000 1.014 222 T CA -0.218 61.894 62.100 0.020 0.000 1.051 222 T CB 1.277 70.154 68.868 0.014 0.000 1.028 222 T HN 0.777 nan 8.240 nan 0.000 0.485 223 D N 0.148 120.563 120.400 0.024 0.000 2.689 223 D HA -0.156 4.484 4.640 0.000 0.000 0.237 223 D C 0.303 176.619 176.300 0.028 0.000 1.148 223 D CA 0.825 54.839 54.000 0.024 0.000 0.656 223 D CB -1.279 39.532 40.800 0.018 0.000 1.050 223 D HN 1.099 nan 8.370 nan 0.000 0.426 224 A N 1.350 124.192 122.820 0.036 0.000 2.511 224 A HA 0.355 4.675 4.320 0.000 0.000 0.242 224 A C 0.509 178.121 177.584 0.046 0.000 1.069 224 A CA 0.198 52.260 52.037 0.042 0.000 0.763 224 A CB 0.546 19.581 19.000 0.060 0.000 1.001 224 A HN 0.158 nan 8.150 nan 0.000 0.498 225 K N 3.027 123.451 120.400 0.040 0.000 2.404 225 K HA 0.383 4.703 4.320 0.000 0.000 0.257 225 K C -1.214 175.419 176.600 0.055 0.000 1.026 225 K CA -0.247 56.065 56.287 0.041 0.000 0.951 225 K CB 0.934 33.451 32.500 0.027 0.000 1.203 225 K HN 0.523 nan 8.250 nan 0.000 0.446 226 I N 2.141 122.760 120.570 0.082 0.000 2.371 226 I HA 0.201 4.371 4.170 0.000 0.000 0.290 226 I C 0.370 176.555 176.117 0.112 0.000 1.028 226 I CA -0.146 61.234 61.300 0.133 0.000 1.345 226 I CB 1.361 39.477 38.000 0.193 0.000 1.407 226 I HN 0.517 nan 8.210 nan 0.000 0.501 227 A N 7.501 130.391 122.820 0.117 0.000 2.337 227 A HA 0.856 5.176 4.320 0.000 0.000 0.329 227 A C -0.793 176.876 177.584 0.142 0.000 1.146 227 A CA -0.569 51.525 52.037 0.094 0.000 0.800 227 A CB 0.705 19.738 19.000 0.054 0.000 1.220 227 A HN 0.653 nan 8.150 nan 0.000 0.472 228 L N 3.411 124.697 121.223 0.105 0.000 2.318 228 L HA 0.420 4.760 4.340 0.000 0.000 0.277 228 L C -0.919 175.993 176.870 0.070 0.000 1.008 228 L CA -0.081 54.822 54.840 0.105 0.000 0.846 228 L CB 0.961 43.061 42.059 0.068 0.000 1.220 228 L HN 0.572 nan 8.230 nan 0.000 0.423 229 L N 2.758 124.026 121.223 0.075 0.000 2.325 229 L HA 0.432 4.772 4.340 0.000 0.000 0.278 229 L C 0.785 177.685 176.870 0.049 0.000 1.023 229 L CA -0.340 54.531 54.840 0.052 0.000 0.811 229 L CB 1.901 43.987 42.059 0.046 0.000 1.249 229 L HN 0.518 nan 8.230 nan 0.000 0.431 230 N N 0.822 119.543 118.700 0.036 0.000 2.454 230 N HA -0.016 4.724 4.740 0.000 0.000 0.177 230 N C 0.500 176.026 175.510 0.027 0.000 1.049 230 N CA -0.026 53.042 53.050 0.030 0.000 0.887 230 N CB 0.331 38.832 38.487 0.022 0.000 1.095 230 N HN 0.743 nan 8.380 nan 0.000 0.446 231 C N 1.348 120.663 119.300 0.025 0.000 2.700 231 C HA 0.779 5.239 4.460 0.000 0.000 0.397 231 C C 0.984 175.989 174.990 0.025 0.000 1.301 231 C CA -1.339 57.692 59.018 0.023 0.000 2.219 231 C CB -0.448 27.305 27.740 0.021 0.000 2.699 231 C HN 0.426 nan 8.230 nan 0.000 0.669 232 A N 2.775 125.609 122.820 0.023 0.000 2.388 232 A HA 0.580 4.900 4.320 0.000 0.000 0.257 232 A C 0.183 177.782 177.584 0.026 0.000 1.095 232 A CA -0.598 51.453 52.037 0.024 0.000 0.791 232 A CB -0.059 18.954 19.000 0.022 0.000 1.029 232 A HN 0.901 nan 8.150 nan 0.000 0.489 233 I N 2.759 123.346 120.570 0.027 0.000 2.206 233 I HA 0.182 4.352 4.170 0.000 0.000 0.292 233 I C 0.442 176.580 176.117 0.035 0.000 1.156 233 I CA 0.247 61.565 61.300 0.031 0.000 1.356 233 I CB -0.695 37.324 38.000 0.032 0.000 1.494 233 I HN 0.870 nan 8.210 nan 0.000 0.601 234 E N 3.922 124.141 120.200 0.033 0.000 2.456 234 E HA 0.469 4.819 4.350 0.000 0.000 0.276 234 E C -0.753 175.867 176.600 0.034 0.000 0.981 234 E CA -1.179 55.242 56.400 0.034 0.000 0.814 234 E CB 1.512 31.229 29.700 0.028 0.000 1.382 234 E HN 0.020 nan 8.360 nan 0.000 0.459 235 I N 2.248 122.840 120.570 0.036 0.000 2.705 235 I HA -0.028 4.142 4.170 0.000 0.000 0.291 235 I C 0.653 176.788 176.117 0.031 0.000 1.146 235 I CA 0.460 61.782 61.300 0.037 0.000 1.383 235 I CB -0.375 37.650 38.000 0.042 0.000 1.454 235 I HN 0.328 nan 8.210 nan 0.000 0.581 236 K N 5.194 125.611 120.400 0.028 0.000 2.511 236 K HA -0.058 4.262 4.320 0.000 0.000 0.280 236 K C 0.038 176.652 176.600 0.024 0.000 1.008 236 K CA 0.219 56.521 56.287 0.024 0.000 1.050 236 K CB 0.390 32.903 32.500 0.022 0.000 0.889 236 K HN 0.466 nan 8.250 nan 0.000 0.484 237 E N 2.239 122.451 120.200 0.020 0.000 2.179 237 E HA 0.151 4.502 4.350 0.000 0.000 0.275 237 E C -0.836 175.773 176.600 0.015 0.000 0.945 237 E CA -0.553 55.858 56.400 0.018 0.000 0.792 237 E CB 0.988 30.696 29.700 0.014 0.000 1.125 237 E HN 0.578 nan 8.360 nan 0.000 0.397 238 T N 1.932 116.496 114.554 0.015 0.000 2.903 238 T HA 0.095 4.445 4.350 0.000 0.000 0.314 238 T C 0.886 175.592 174.700 0.010 0.000 1.078 238 T CA -0.490 61.618 62.100 0.014 0.000 1.114 238 T CB 0.753 69.629 68.868 0.015 0.000 0.987 238 T HN 0.448 nan 8.240 nan 0.000 0.548 239 E N 0.724 120.930 120.200 0.010 0.000 2.046 239 E HA -0.027 4.324 4.350 0.000 0.000 0.190 239 E C 1.302 177.906 176.600 0.006 0.000 0.982 239 E CA 0.902 57.307 56.400 0.008 0.000 0.800 239 E CB -0.581 29.124 29.700 0.008 0.000 0.756 239 E HN 0.795 nan 8.360 nan 0.000 0.449 240 T N 1.853 116.411 114.554 0.006 0.000 2.930 240 T HA -0.005 4.345 4.350 0.000 0.000 0.306 240 T C -0.328 174.375 174.700 0.004 0.000 1.045 240 T CA -0.610 61.493 62.100 0.005 0.000 1.134 240 T CB 0.355 69.227 68.868 0.006 0.000 0.961 240 T HN -0.178 nan 8.240 nan 0.000 0.545 241 D N 2.738 123.139 120.400 0.002 0.000 2.450 241 D HA 0.470 5.110 4.640 0.000 0.000 0.247 241 D C -0.247 176.052 176.300 -0.002 0.000 1.162 241 D CA 0.517 54.516 54.000 -0.001 0.000 0.879 241 D CB 0.702 41.501 40.800 -0.002 0.000 1.163 241 D HN 0.743 nan 8.370 nan 0.000 0.472 242 A N 2.805 125.623 122.820 -0.004 0.000 2.547 242 A HA 0.601 4.921 4.320 0.000 0.000 0.297 242 A C -0.784 176.789 177.584 -0.017 0.000 1.056 242 A CA -0.774 51.259 52.037 -0.006 0.000 0.688 242 A CB 1.656 20.657 19.000 0.002 0.000 1.282 242 A HN 0.459 nan 8.150 nan 0.000 0.400 243 E N 0.858 121.041 120.200 -0.029 0.000 2.356 243 E HA 0.503 4.853 4.350 0.000 0.000 0.275 243 E C -1.465 175.085 176.600 -0.083 0.000 0.904 243 E CA -0.836 55.533 56.400 -0.053 0.000 0.757 243 E CB 2.300 31.971 29.700 -0.049 0.000 1.232 243 E HN 0.494 nan 8.360 nan 0.000 0.442 244 I N 2.053 122.535 120.570 -0.147 0.000 2.472 244 I HA 0.183 4.353 4.170 0.000 0.000 0.290 244 I C -0.011 175.958 176.117 -0.246 0.000 1.016 244 I CA -0.254 60.884 61.300 -0.271 0.000 1.348 244 I CB 0.483 38.153 38.000 -0.552 0.000 1.417 244 I HN 0.195 nan 8.210 nan 0.000 0.521 245 R N 6.974 127.344 120.500 -0.216 0.000 2.363 245 R HA 0.478 4.818 4.340 0.000 0.000 0.297 245 R C -0.927 175.300 176.300 -0.123 0.000 1.208 245 R CA -0.527 55.491 56.100 -0.136 0.000 1.121 245 R CB 0.680 30.939 30.300 -0.068 0.000 1.124 245 R HN 0.547 nan 8.270 nan 0.000 0.561 246 I N 0.968 121.450 120.570 -0.147 0.000 2.395 246 I HA 0.113 4.283 4.170 0.000 0.000 0.289 246 I C 1.318 177.430 176.117 -0.009 0.000 1.023 246 I CA 0.263 61.526 61.300 -0.062 0.000 1.350 246 I CB 1.549 39.510 38.000 -0.066 0.000 1.409 246 I HN 0.357 nan 8.210 nan 0.000 0.507 247 T N 3.110 117.682 114.554 0.030 0.000 3.262 247 T HA 0.113 4.463 4.350 0.000 0.000 0.300 247 T C -0.503 174.218 174.700 0.035 0.000 0.959 247 T CA -0.154 61.961 62.100 0.024 0.000 0.936 247 T CB -0.212 68.667 68.868 0.019 0.000 1.169 247 T HN 0.620 nan 8.240 nan 0.000 0.532 248 D N 0.640 121.071 120.400 0.052 0.000 2.896 248 D HA 0.355 4.995 4.640 0.000 0.000 0.241 248 D C -2.188 174.144 176.300 0.052 0.000 1.188 248 D CA -1.809 52.219 54.000 0.048 0.000 0.879 248 D CB 2.851 43.681 40.800 0.051 0.000 1.553 248 D HN -0.154 nan 8.370 nan 0.000 0.515 249 P HA -0.135 nan 4.420 nan 0.000 0.217 249 P C 0.962 178.285 177.300 0.039 0.000 1.148 249 P CA 1.349 64.469 63.100 0.034 0.000 0.834 249 P CB 0.335 32.049 31.700 0.023 0.000 0.783 250 A N -0.301 122.540 122.820 0.036 0.000 1.898 250 A HA -0.193 4.127 4.320 0.000 0.000 0.216 250 A C 2.083 179.694 177.584 0.044 0.000 1.181 250 A CA 1.578 53.633 52.037 0.030 0.000 0.620 250 A CB -0.880 18.131 19.000 0.017 0.000 0.819 250 A HN 0.151 nan 8.150 nan 0.000 0.442 251 K N -0.811 119.638 120.400 0.081 0.000 2.148 251 K HA -0.046 4.274 4.320 0.000 0.000 0.204 251 K C 1.820 178.574 176.600 0.256 0.000 1.050 251 K CA 1.041 57.428 56.287 0.166 0.000 0.942 251 K CB -0.307 32.344 32.500 0.252 0.000 0.724 251 K HN 0.376 nan 8.250 nan 0.000 0.446 252 L N 0.999 122.317 121.223 0.158 0.000 2.042 252 L HA -0.199 4.141 4.340 0.000 0.000 0.210 252 L C 1.995 178.938 176.870 0.122 0.000 1.076 252 L CA 1.770 56.688 54.840 0.129 0.000 0.749 252 L CB -0.223 41.877 42.059 0.069 0.000 0.893 252 L HN 0.177 nan 8.230 nan 0.000 0.432 253 M N -1.269 118.382 119.600 0.084 0.000 2.193 253 M HA -0.067 4.413 4.480 0.000 0.000 0.265 253 M C 2.150 178.475 176.300 0.042 0.000 1.071 253 M CA 1.134 56.467 55.300 0.054 0.000 1.140 253 M CB -1.106 31.512 32.600 0.030 0.000 1.369 253 M HN 0.246 nan 8.290 nan 0.000 0.423 254 E N 0.014 120.226 120.200 0.019 0.000 2.051 254 E HA -0.136 4.214 4.350 0.000 0.000 0.192 254 E C 2.071 178.609 176.600 -0.103 0.000 0.991 254 E CA 1.403 57.754 56.400 -0.082 0.000 0.799 254 E CB -0.416 29.175 29.700 -0.182 0.000 0.748 254 E HN 0.455 nan 8.360 nan 0.000 0.449 255 F N 0.658 120.611 119.950 0.005 0.000 2.206 255 F HA -0.051 4.476 4.527 0.000 0.000 0.298 255 F C 2.400 178.205 175.800 0.008 0.000 1.090 255 F CA 0.551 58.555 58.000 0.006 0.000 1.323 255 F CB -0.165 38.838 39.000 0.005 0.000 1.028 255 F HN -0.053 nan 8.300 nan 0.000 0.492 256 I N -0.125 120.558 120.570 0.189 0.000 2.286 256 I HA -0.263 3.907 4.170 0.000 0.000 0.248 256 I C 2.014 178.176 176.117 0.074 0.000 1.115 256 I CA 1.513 62.879 61.300 0.110 0.000 1.392 256 I CB -0.397 37.650 38.000 0.078 0.000 1.065 256 I HN 0.175 nan 8.210 nan 0.000 0.418 257 E N -0.010 120.221 120.200 0.052 0.000 2.216 257 E HA -0.233 4.118 4.350 0.000 0.000 0.192 257 E C 2.030 178.640 176.600 0.017 0.000 0.988 257 E CA 0.520 56.938 56.400 0.029 0.000 0.834 257 E CB 0.035 29.741 29.700 0.009 0.000 0.772 257 E HN 0.330 nan 8.360 nan 0.000 0.479 258 Q N 1.021 120.824 119.800 0.005 0.000 2.172 258 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 258 Q C 1.768 177.789 176.000 0.034 0.000 0.964 258 Q CA 1.137 56.931 55.803 -0.014 0.000 0.855 258 Q CB 0.213 28.901 28.738 -0.085 0.000 0.918 258 Q HN 0.147 nan 8.270 nan 0.000 0.444 259 E N 0.286 120.528 120.200 0.071 0.000 2.051 259 E HA -0.198 4.152 4.350 0.000 0.000 0.192 259 E C 1.717 178.355 176.600 0.063 0.000 0.991 259 E CA 1.124 57.568 56.400 0.073 0.000 0.799 259 E CB -0.154 29.595 29.700 0.082 0.000 0.748 259 E HN 0.481 nan 8.360 nan 0.000 0.449 260 E N 1.388 121.627 120.200 0.066 0.000 2.150 260 E HA -0.197 4.153 4.350 0.000 0.000 0.193 260 E C 1.926 178.564 176.600 0.064 0.000 0.985 260 E CA 1.030 57.483 56.400 0.089 0.000 0.814 260 E CB 0.132 29.890 29.700 0.097 0.000 0.752 260 E HN -0.055 nan 8.360 nan 0.000 0.466 261 K N 0.843 121.258 120.400 0.024 0.000 2.057 261 K HA -0.071 4.249 4.320 0.000 0.000 0.206 261 K C 2.294 178.881 176.600 -0.022 0.000 1.050 261 K CA 1.467 57.744 56.287 -0.016 0.000 0.935 261 K CB -0.534 31.951 32.500 -0.025 0.000 0.715 261 K HN 0.148 nan 8.250 nan 0.000 0.439 262 M N -0.199 119.402 119.600 0.002 0.000 2.065 262 M HA -0.180 4.300 4.480 0.000 0.000 0.259 262 M C 1.858 178.163 176.300 0.009 0.000 1.069 262 M CA 1.743 57.047 55.300 0.006 0.000 1.110 262 M CB -0.268 32.346 32.600 0.024 0.000 1.328 262 M HN 0.264 nan 8.290 nan 0.000 0.405 263 L N 0.766 122.009 121.223 0.033 0.000 2.083 263 L HA -0.196 4.144 4.340 0.000 0.000 0.209 263 L C 2.366 179.261 176.870 0.043 0.000 1.083 263 L CA 1.954 56.828 54.840 0.057 0.000 0.752 263 L CB -0.779 41.339 42.059 0.098 0.000 0.899 263 L HN 0.350 nan 8.230 nan 0.000 0.433 264 K N -0.845 119.542 120.400 -0.021 0.000 2.057 264 K HA -0.197 4.123 4.320 0.000 0.000 0.207 264 K C 1.601 178.099 176.600 -0.169 0.000 1.049 264 K CA 1.769 57.913 56.287 -0.238 0.000 0.931 264 K CB -0.091 32.154 32.500 -0.425 0.000 0.714 264 K HN 0.344 nan 8.250 nan 0.000 0.440 265 D N 0.400 120.743 120.400 -0.095 0.000 2.183 265 D HA -0.112 4.528 4.640 0.000 0.000 0.203 265 D C 1.880 178.156 176.300 -0.040 0.000 0.969 265 D CA 1.067 55.027 54.000 -0.068 0.000 0.842 265 D CB -0.017 40.755 40.800 -0.046 0.000 0.957 265 D HN 0.305 nan 8.370 nan 0.000 0.484 266 M N -0.041 119.547 119.600 -0.021 0.000 2.117 266 M HA -0.131 4.349 4.480 0.000 0.000 0.262 266 M C 2.223 178.524 176.300 0.000 0.000 1.065 266 M CA 0.903 56.202 55.300 -0.001 0.000 1.114 266 M CB -0.069 32.541 32.600 0.016 0.000 1.361 266 M HN -0.108 nan 8.290 nan 0.000 0.408 267 V N 0.247 120.161 119.914 -0.000 0.000 2.358 267 V HA -0.213 3.907 4.120 0.000 0.000 0.246 267 V C 2.607 178.692 176.094 -0.016 0.000 1.047 267 V CA 1.887 64.192 62.300 0.008 0.000 1.035 267 V CB -1.148 30.701 31.823 0.043 0.000 0.658 267 V HN 0.513 nan 8.190 nan 0.000 0.452 268 A N -0.358 122.435 122.820 -0.045 0.000 1.933 268 A HA -0.245 4.075 4.320 0.000 0.000 0.218 268 A C 2.166 179.735 177.584 -0.026 0.000 1.175 268 A CA 1.899 53.908 52.037 -0.046 0.000 0.628 268 A CB -0.405 18.555 19.000 -0.066 0.000 0.814 268 A HN 0.638 nan 8.150 nan 0.000 0.444 269 E N -0.426 119.762 120.200 -0.020 0.000 2.107 269 E HA -0.086 4.265 4.350 0.000 0.000 0.191 269 E C 1.838 178.435 176.600 -0.004 0.000 0.982 269 E CA 0.969 57.362 56.400 -0.010 0.000 0.809 269 E CB -0.241 29.455 29.700 -0.007 0.000 0.756 269 E HN 0.700 nan 8.360 nan 0.000 0.459 270 I N 1.209 121.778 120.570 -0.002 0.000 2.226 270 I HA -0.273 3.897 4.170 0.000 0.000 0.245 270 I C 2.444 178.560 176.117 -0.001 0.000 1.100 270 I CA 0.997 62.298 61.300 0.002 0.000 1.374 270 I CB -0.117 37.886 38.000 0.005 0.000 1.057 270 I HN -0.018 nan 8.210 nan 0.000 0.413 271 K N 1.673 122.070 120.400 -0.005 0.000 2.097 271 K HA -0.073 4.247 4.320 0.000 0.000 0.205 271 K C 2.025 178.621 176.600 -0.006 0.000 1.050 271 K CA 1.618 57.901 56.287 -0.007 0.000 0.938 271 K CB -0.407 32.086 32.500 -0.011 0.000 0.718 271 K HN 0.254 nan 8.250 nan 0.000 0.442 272 A N 0.355 123.171 122.820 -0.007 0.000 1.978 272 A HA -0.166 4.154 4.320 0.000 0.000 0.220 272 A C 2.130 179.713 177.584 -0.002 0.000 1.170 272 A CA 2.163 54.196 52.037 -0.006 0.000 0.636 272 A CB -1.035 17.960 19.000 -0.008 0.000 0.810 272 A HN 0.555 nan 8.150 nan 0.000 0.448 273 S N -1.689 114.011 115.700 0.001 0.000 2.442 273 S HA 0.232 4.702 4.470 0.000 0.000 0.236 273 S C 1.642 176.246 174.600 0.007 0.000 1.007 273 S CA 1.482 59.685 58.200 0.005 0.000 0.965 273 S CB -0.539 62.666 63.200 0.009 0.000 0.773 273 S HN 1.988 nan 8.310 nan 0.000 0.504 274 G N 0.570 109.373 108.800 0.004 0.000 2.176 274 G HA2 -0.060 3.900 3.960 0.000 0.000 0.232 274 G HA3 -0.060 3.900 3.960 0.000 0.000 0.232 274 G C 0.256 175.160 174.900 0.007 0.000 0.986 274 G CA -0.001 45.102 45.100 0.005 0.000 0.643 274 G HN 1.365 nan 8.290 nan 0.000 0.522 275 A N 0.408 123.233 122.820 0.008 0.000 2.498 275 A HA 0.570 4.890 4.320 0.000 0.000 0.239 275 A C 1.000 178.584 177.584 -0.001 0.000 1.068 275 A CA 1.290 53.333 52.037 0.010 0.000 0.766 275 A CB 0.129 19.136 19.000 0.012 0.000 1.003 275 A HN 1.357 nan 8.150 nan 0.000 0.497 276 N N -0.354 118.344 118.700 -0.003 0.000 2.067 276 N HA 0.176 4.916 4.740 0.000 0.000 0.227 276 N C -0.901 174.588 175.510 -0.036 0.000 1.348 276 N CA 0.126 53.166 53.050 -0.016 0.000 0.879 276 N CB 0.523 39.005 38.487 -0.008 0.000 1.109 276 N HN 0.269 nan 8.380 nan 0.000 0.501 277 V N 1.517 121.410 119.914 -0.035 0.000 2.531 277 V HA 0.599 4.719 4.120 0.000 0.000 0.301 277 V C -1.354 174.668 176.094 -0.121 0.000 1.034 277 V CA -0.815 61.428 62.300 -0.094 0.000 0.865 277 V CB 1.809 33.618 31.823 -0.024 0.000 0.995 277 V HN 0.219 nan 8.190 nan 0.000 0.424 278 L N 5.540 126.592 121.223 -0.285 0.000 2.410 278 L HA 0.736 5.076 4.340 0.000 0.000 0.270 278 L C -1.572 175.036 176.870 -0.437 0.000 0.983 278 L CA -0.067 54.647 54.840 -0.209 0.000 0.822 278 L CB 1.741 43.736 42.059 -0.108 0.000 1.285 278 L HN 0.476 nan 8.230 nan 0.000 0.409 279 F N 4.631 124.585 119.950 0.006 0.000 2.427 279 F HA 0.485 5.013 4.527 0.000 0.000 0.348 279 F C -0.040 175.762 175.800 0.004 0.000 1.125 279 F CA -0.438 57.564 58.000 0.003 0.000 0.989 279 F CB 1.602 40.601 39.000 -0.001 0.000 1.165 279 F HN 0.507 nan 8.300 nan 0.000 0.442 280 C N 4.890 124.272 119.300 0.136 0.000 2.303 280 C HA 0.244 4.704 4.460 0.000 0.000 0.326 280 C C 1.642 176.684 174.990 0.087 0.000 1.285 280 C CA -0.403 58.667 59.018 0.088 0.000 1.675 280 C CB 0.756 28.524 27.740 0.046 0.000 2.289 280 C HN 0.965 nan 8.230 nan 0.000 0.512 281 Q N 3.396 123.238 119.800 0.070 0.000 2.124 281 Q HA -0.051 4.289 4.340 0.000 0.000 0.202 281 Q C 0.790 176.814 176.000 0.039 0.000 0.977 281 Q CA 1.631 57.464 55.803 0.051 0.000 0.850 281 Q CB 0.180 28.939 28.738 0.035 0.000 0.901 281 Q HN 0.758 nan 8.270 nan 0.000 0.429 282 K N -1.146 119.275 120.400 0.035 0.000 2.632 282 K HA 0.433 4.753 4.320 0.000 0.000 0.267 282 K C 0.328 176.945 176.600 0.028 0.000 1.028 282 K CA -0.204 56.100 56.287 0.028 0.000 1.045 282 K CB 0.147 32.661 32.500 0.024 0.000 1.400 282 K HN 0.114 nan 8.250 nan 0.000 0.522 283 G N 0.263 109.077 108.800 0.023 0.000 2.599 283 G HA2 0.429 4.389 3.960 0.000 0.000 0.264 283 G HA3 0.429 4.389 3.960 0.000 0.000 0.264 283 G C -0.523 174.390 174.900 0.022 0.000 1.200 283 G CA -0.513 44.599 45.100 0.021 0.000 0.896 283 G HN 0.371 nan 8.290 nan 0.000 0.536 284 I N 0.352 120.933 120.570 0.019 0.000 2.499 284 I HA 0.169 4.339 4.170 0.000 0.000 0.288 284 I C -0.584 175.546 176.117 0.021 0.000 1.048 284 I CA -0.790 60.522 61.300 0.021 0.000 1.062 284 I CB 2.151 40.160 38.000 0.016 0.000 1.238 284 I HN 0.420 nan 8.210 nan 0.000 0.426 285 D N 5.242 125.659 120.400 0.028 0.000 2.414 285 D HA -0.037 4.603 4.640 0.000 0.000 0.242 285 D C 0.631 176.946 176.300 0.024 0.000 1.129 285 D CA 0.140 54.156 54.000 0.026 0.000 0.885 285 D CB 1.320 42.141 40.800 0.035 0.000 1.198 285 D HN 0.496 nan 8.370 nan 0.000 0.437 286 D N 3.135 123.542 120.400 0.012 0.000 2.190 286 D HA -0.169 4.471 4.640 0.000 0.000 0.200 286 D C 1.911 178.208 176.300 -0.005 0.000 0.992 286 D CA 0.765 54.766 54.000 0.001 0.000 0.854 286 D CB 0.261 41.054 40.800 -0.012 0.000 0.936 286 D HN 0.342 nan 8.370 nan 0.000 0.462 287 L N 1.004 122.225 121.223 -0.003 0.000 2.056 287 L HA -0.074 4.266 4.340 0.000 0.000 0.207 287 L C 2.524 179.422 176.870 0.046 0.000 1.078 287 L CA 1.223 56.049 54.840 -0.023 0.000 0.749 287 L CB -1.066 41.010 42.059 0.028 0.000 0.901 287 L HN -0.051 nan 8.230 nan 0.000 0.433 288 A N -1.333 121.552 122.820 0.108 0.000 1.930 288 A HA -0.225 4.095 4.320 0.000 0.000 0.217 288 A C 2.213 179.862 177.584 0.107 0.000 1.175 288 A CA 1.325 53.455 52.037 0.155 0.000 0.627 288 A CB -0.433 18.630 19.000 0.105 0.000 0.815 288 A HN 0.525 nan 8.150 nan 0.000 0.443 289 Q N -1.280 118.553 119.800 0.056 0.000 2.084 289 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 289 Q C 2.156 178.169 176.000 0.022 0.000 0.978 289 Q CA 1.531 57.351 55.803 0.029 0.000 0.844 289 Q CB -0.392 28.356 28.738 0.017 0.000 0.898 289 Q HN 0.910 nan 8.270 nan 0.000 0.426 290 H N -0.252 118.764 119.070 -0.090 0.000 2.293 290 H HA -0.163 4.393 4.556 0.000 0.000 0.300 290 H C 1.548 176.816 175.328 -0.100 0.000 1.082 290 H CA 1.589 57.546 56.048 -0.151 0.000 1.308 290 H CB -0.056 29.529 29.762 -0.295 0.000 1.375 290 H HN 0.266 nan 8.280 nan 0.000 0.495 291 Y N 0.910 121.228 120.300 0.030 0.000 2.274 291 Y HA -0.120 4.430 4.550 0.000 0.000 0.290 291 Y C 2.963 178.815 175.900 -0.080 0.000 1.145 291 Y CA 0.637 58.719 58.100 -0.030 0.000 1.203 291 Y CB -0.523 37.975 38.460 0.063 0.000 0.984 291 Y HN 0.155 nan 8.280 nan 0.000 0.533 292 L N -1.113 120.163 121.223 0.089 0.000 2.046 292 L HA -0.236 4.104 4.340 0.000 0.000 0.208 292 L C 2.642 179.491 176.870 -0.034 0.000 1.077 292 L CA 1.221 56.073 54.840 0.020 0.000 0.747 292 L CB -0.814 41.250 42.059 0.009 0.000 0.896 292 L HN 0.192 nan 8.230 nan 0.000 0.432 293 A N -0.444 122.328 122.820 -0.080 0.000 1.933 293 A HA -0.168 4.152 4.320 0.000 0.000 0.218 293 A C 2.249 179.759 177.584 -0.124 0.000 1.175 293 A CA 1.381 53.353 52.037 -0.108 0.000 0.628 293 A CB -0.234 18.685 19.000 -0.135 0.000 0.814 293 A HN 0.195 nan 8.150 nan 0.000 0.444 294 K N -0.047 120.249 120.400 -0.173 0.000 2.296 294 K HA -0.003 4.317 4.320 0.000 0.000 0.200 294 K C 1.151 177.725 176.600 -0.043 0.000 1.048 294 K CA 0.640 56.852 56.287 -0.125 0.000 0.966 294 K CB -0.055 32.355 32.500 -0.150 0.000 0.754 294 K HN 0.475 nan 8.250 nan 0.000 0.466 295 E N -0.107 120.079 120.200 -0.024 0.000 2.489 295 E HA 0.023 4.373 4.350 0.000 0.000 0.193 295 E C 0.742 177.330 176.600 -0.020 0.000 1.057 295 E CA 0.351 56.744 56.400 -0.012 0.000 0.866 295 E CB 0.211 29.910 29.700 -0.002 0.000 0.916 295 E HN 0.433 nan 8.360 nan 0.000 0.500 296 G N 1.875 110.657 108.800 -0.030 0.000 2.147 296 G HA2 -0.283 3.677 3.960 0.000 0.000 0.244 296 G HA3 -0.283 3.677 3.960 0.000 0.000 0.244 296 G C 0.243 175.124 174.900 -0.031 0.000 1.005 296 G CA 0.146 45.228 45.100 -0.029 0.000 0.713 296 G HN 0.257 nan 8.290 nan 0.000 0.515 297 I N 1.150 121.699 120.570 -0.034 0.000 2.315 297 I HA 0.442 4.612 4.170 0.000 0.000 0.291 297 I C 1.018 177.100 176.117 -0.059 0.000 1.006 297 I CA -1.143 60.132 61.300 -0.041 0.000 1.265 297 I CB 1.563 39.543 38.000 -0.033 0.000 1.387 297 I HN 0.151 nan 8.210 nan 0.000 0.475 298 V N 3.826 123.694 119.914 -0.076 0.000 2.644 298 V HA 0.937 5.058 4.120 0.000 0.000 0.295 298 V C 0.050 176.043 176.094 -0.167 0.000 1.053 298 V CA -0.227 62.011 62.300 -0.103 0.000 0.987 298 V CB 1.265 33.030 31.823 -0.097 0.000 1.006 298 V HN 0.855 nan 8.190 nan 0.000 0.472 299 A N 3.234 125.950 122.820 -0.173 0.000 2.594 299 A HA 1.004 5.324 4.320 0.000 0.000 0.295 299 A C -0.468 177.000 177.584 -0.193 0.000 1.071 299 A CA -0.330 51.577 52.037 -0.217 0.000 0.685 299 A CB 1.742 20.669 19.000 -0.122 0.000 1.285 299 A HN 2.449 nan 8.150 nan 0.000 0.405 300 A N 1.434 124.120 122.820 -0.224 0.000 2.398 300 A HA 0.764 5.084 4.320 0.000 0.000 0.301 300 A C -0.153 177.428 177.584 -0.005 0.000 1.041 300 A CA -0.551 51.434 52.037 -0.088 0.000 0.711 300 A CB 0.944 19.916 19.000 -0.047 0.000 1.240 300 A HN 1.352 nan 8.150 nan 0.000 0.420 301 R N 1.691 122.201 120.500 0.016 0.000 2.608 301 R HA 0.731 5.071 4.340 0.000 0.000 0.255 301 R C -0.346 175.982 176.300 0.048 0.000 1.086 301 R CA -0.742 55.378 56.100 0.033 0.000 1.125 301 R CB 0.400 30.711 30.300 0.019 0.000 1.193 301 R HN 0.504 nan 8.270 nan 0.000 0.553 302 R N -0.943 119.582 120.500 0.043 0.000 3.516 302 R HA -0.110 4.230 4.340 0.000 0.000 0.271 302 R C -0.712 175.615 176.300 0.045 0.000 1.098 302 R CA 0.571 56.693 56.100 0.037 0.000 0.732 302 R CB -2.661 27.655 30.300 0.026 0.000 1.152 302 R HN 0.527 nan 8.270 nan 0.000 0.455 303 V N 1.510 121.464 119.914 0.067 0.000 2.572 303 V HA 0.035 4.155 4.120 0.000 0.000 0.291 303 V C 1.492 177.605 176.094 0.031 0.000 1.039 303 V CA -0.129 62.215 62.300 0.073 0.000 1.055 303 V CB 1.166 33.069 31.823 0.134 0.000 0.969 303 V HN 0.148 nan 8.190 nan 0.000 0.482 304 K N 4.139 124.545 120.400 0.010 0.000 2.484 304 K HA -0.026 4.295 4.320 0.000 0.000 0.280 304 K C 1.377 177.968 176.600 -0.015 0.000 1.013 304 K CA 0.091 56.374 56.287 -0.006 0.000 1.029 304 K CB 0.321 32.810 32.500 -0.017 0.000 0.902 304 K HN 0.710 nan 8.250 nan 0.000 0.481 305 K N 2.299 122.692 120.400 -0.010 0.000 2.113 305 K HA -0.219 4.102 4.320 0.000 0.000 0.208 305 K C 1.863 178.446 176.600 -0.028 0.000 1.047 305 K CA 2.026 58.304 56.287 -0.014 0.000 0.928 305 K CB -0.139 32.356 32.500 -0.008 0.000 0.716 305 K HN 0.619 nan 8.250 nan 0.000 0.446 306 S N 0.652 116.333 115.700 -0.031 0.000 2.368 306 S HA -0.156 4.314 4.470 0.000 0.000 0.225 306 S C 1.349 175.911 174.600 -0.062 0.000 1.030 306 S CA 1.735 59.911 58.200 -0.040 0.000 0.999 306 S CB -0.340 62.839 63.200 -0.036 0.000 0.844 306 S HN 0.372 nan 8.310 nan 0.000 0.459 307 D N 0.858 121.214 120.400 -0.074 0.000 2.144 307 D HA -0.034 4.606 4.640 0.000 0.000 0.200 307 D C 1.975 178.182 176.300 -0.155 0.000 0.978 307 D CA 0.877 54.805 54.000 -0.120 0.000 0.833 307 D CB -0.235 40.492 40.800 -0.121 0.000 0.961 307 D HN 0.375 nan 8.370 nan 0.000 0.470 308 M N 0.476 120.012 119.600 -0.106 0.000 2.159 308 M HA -0.089 4.392 4.480 0.000 0.000 0.263 308 M C 1.881 178.131 176.300 -0.084 0.000 1.063 308 M CA 1.195 56.439 55.300 -0.093 0.000 1.110 308 M CB -0.735 31.845 32.600 -0.034 0.000 1.374 308 M HN 0.111 nan 8.290 nan 0.000 0.411 309 E N -0.003 120.157 120.200 -0.067 0.000 2.107 309 E HA -0.135 4.215 4.350 0.000 0.000 0.191 309 E C 2.011 178.571 176.600 -0.068 0.000 0.982 309 E CA 0.824 57.191 56.400 -0.054 0.000 0.809 309 E CB 0.021 29.697 29.700 -0.040 0.000 0.756 309 E HN 0.499 nan 8.360 nan 0.000 0.459 310 K N 0.534 120.881 120.400 -0.088 0.000 2.148 310 K HA -0.059 4.261 4.320 0.000 0.000 0.204 310 K C 2.108 178.638 176.600 -0.117 0.000 1.050 310 K CA 0.639 56.868 56.287 -0.095 0.000 0.942 310 K CB 0.030 32.468 32.500 -0.104 0.000 0.724 310 K HN 0.088 nan 8.250 nan 0.000 0.446 311 L N 0.367 121.493 121.223 -0.161 0.000 2.093 311 L HA -0.148 4.192 4.340 0.000 0.000 0.208 311 L C 2.545 179.355 176.870 -0.101 0.000 1.085 311 L CA 0.995 55.722 54.840 -0.188 0.000 0.755 311 L CB -0.491 41.370 42.059 -0.329 0.000 0.904 311 L HN 0.183 nan 8.230 nan 0.000 0.435 312 A N 0.227 123.003 122.820 -0.073 0.000 1.877 312 A HA -0.212 4.108 4.320 0.000 0.000 0.216 312 A C 2.323 179.891 177.584 -0.026 0.000 1.186 312 A CA 1.686 53.702 52.037 -0.035 0.000 0.620 312 A CB -0.300 18.685 19.000 -0.026 0.000 0.822 312 A HN 0.316 nan 8.150 nan 0.000 0.443 313 K N -0.436 119.943 120.400 -0.035 0.000 2.103 313 K HA 0.068 4.388 4.320 0.000 0.000 0.204 313 K C 2.340 178.923 176.600 -0.028 0.000 1.052 313 K CA 0.937 57.208 56.287 -0.026 0.000 0.945 313 K CB -0.256 32.224 32.500 -0.032 0.000 0.722 313 K HN 0.426 nan 8.250 nan 0.000 0.443 314 A N 1.345 124.139 122.820 -0.044 0.000 1.840 314 A HA -0.146 4.174 4.320 0.000 0.000 0.214 314 A C 2.329 179.901 177.584 -0.021 0.000 1.198 314 A CA 2.213 54.223 52.037 -0.045 0.000 0.608 314 A CB -1.098 17.866 19.000 -0.059 0.000 0.839 314 A HN 0.437 nan 8.150 nan 0.000 0.443 315 T N -4.156 110.389 114.554 -0.016 0.000 3.043 315 T HA 0.356 4.706 4.350 0.000 0.000 0.263 315 T C 1.424 176.137 174.700 0.021 0.000 1.094 315 T CA 1.245 63.350 62.100 0.009 0.000 1.127 315 T CB -0.155 68.723 68.868 0.017 0.000 0.905 315 T HN 1.853 nan 8.240 nan 0.000 0.490 316 G N 1.349 110.158 108.800 0.014 0.000 2.137 316 G HA2 -0.000 3.960 3.960 0.000 0.000 0.237 316 G HA3 -0.000 3.960 3.960 0.000 0.000 0.237 316 G C 0.220 175.131 174.900 0.020 0.000 1.002 316 G CA -0.039 45.074 45.100 0.022 0.000 0.702 316 G HN 1.175 nan 8.290 nan 0.000 0.515 317 A N -0.386 122.444 122.820 0.016 0.000 2.407 317 A HA 0.623 4.943 4.320 0.000 0.000 0.248 317 A C 0.418 178.012 177.584 0.016 0.000 1.082 317 A CA 0.375 52.425 52.037 0.023 0.000 0.785 317 A CB 0.475 19.494 19.000 0.032 0.000 1.020 317 A HN 0.773 nan 8.150 nan 0.000 0.489 318 N N 1.218 119.931 118.700 0.021 0.000 2.421 318 N HA 0.371 5.111 4.740 0.000 0.000 0.285 318 N C -0.879 174.643 175.510 0.019 0.000 1.027 318 N CA -0.364 52.696 53.050 0.017 0.000 0.918 318 N CB 1.307 39.804 38.487 0.016 0.000 1.152 318 N HN 0.281 nan 8.380 nan 0.000 0.485 319 V N 4.901 124.823 119.914 0.014 0.000 2.446 319 V HA 0.180 4.300 4.120 0.000 0.000 0.276 319 V C 0.257 176.361 176.094 0.018 0.000 1.030 319 V CA -0.086 62.224 62.300 0.016 0.000 1.033 319 V CB -0.269 31.559 31.823 0.008 0.000 0.993 319 V HN 0.514 nan 8.190 nan 0.000 0.477 320 I N 4.011 124.595 120.570 0.024 0.000 2.474 320 I HA 0.455 4.625 4.170 0.000 0.000 0.294 320 I C 0.976 177.106 176.117 0.022 0.000 1.005 320 I CA -0.374 60.939 61.300 0.022 0.000 1.113 320 I CB 1.477 39.491 38.000 0.023 0.000 1.289 320 I HN 0.602 nan 8.210 nan 0.000 0.436 321 A N 5.487 128.317 122.820 0.018 0.000 1.840 321 A HA 0.360 4.680 4.320 0.000 0.000 0.214 321 A C 1.109 178.704 177.584 0.018 0.000 1.198 321 A CA 1.112 53.160 52.037 0.017 0.000 0.608 321 A CB -0.155 18.853 19.000 0.014 0.000 0.839 321 A HN 0.732 nan 8.150 nan 0.000 0.443 322 A N -1.102 121.728 122.820 0.017 0.000 2.312 322 A HA 0.651 4.971 4.320 0.000 0.000 0.328 322 A C 0.824 178.418 177.584 0.016 0.000 1.158 322 A CA -0.571 51.476 52.037 0.016 0.000 0.821 322 A CB 0.400 19.408 19.000 0.013 0.000 1.170 322 A HN 0.347 nan 8.150 nan 0.000 0.490 323 I N 1.483 122.063 120.570 0.016 0.000 2.226 323 I HA -0.287 3.883 4.170 0.000 0.000 0.245 323 I C 2.780 178.904 176.117 0.012 0.000 1.100 323 I CA 1.750 63.059 61.300 0.015 0.000 1.374 323 I CB -0.270 37.738 38.000 0.015 0.000 1.057 323 I HN 0.761 nan 8.210 nan 0.000 0.413 324 A N 0.728 123.554 122.820 0.010 0.000 1.978 324 A HA -0.183 4.137 4.320 0.000 0.000 0.220 324 A C 2.447 180.035 177.584 0.008 0.000 1.170 324 A CA 1.869 53.910 52.037 0.007 0.000 0.636 324 A CB -0.716 18.288 19.000 0.006 0.000 0.810 324 A HN 0.457 nan 8.150 nan 0.000 0.448 325 A N -0.744 122.081 122.820 0.010 0.000 2.168 325 A HA 0.308 4.628 4.320 0.000 0.000 0.215 325 A C 0.991 178.582 177.584 0.011 0.000 1.152 325 A CA -0.024 52.019 52.037 0.010 0.000 0.716 325 A CB -0.466 18.541 19.000 0.011 0.000 0.794 325 A HN 0.460 nan 8.150 nan 0.000 0.465 326 L N 1.455 122.685 121.223 0.013 0.000 2.490 326 L HA 0.214 4.554 4.340 0.000 0.000 0.274 326 L C 0.668 177.544 176.870 0.011 0.000 1.201 326 L CA 0.253 55.101 54.840 0.014 0.000 0.869 326 L CB 0.569 42.638 42.059 0.015 0.000 1.123 326 L HN 0.491 nan 8.230 nan 0.000 0.484 327 S N 1.207 116.914 115.700 0.013 0.000 2.625 327 S HA 0.569 5.039 4.470 0.000 0.000 0.271 327 S C 0.357 174.964 174.600 0.013 0.000 1.161 327 S CA -0.291 57.915 58.200 0.011 0.000 0.820 327 S CB 1.520 64.725 63.200 0.009 0.000 1.137 327 S HN 0.602 nan 8.310 nan 0.000 0.470 328 A N 0.571 123.398 122.820 0.011 0.000 1.978 328 A HA -0.133 4.187 4.320 0.000 0.000 0.220 328 A C 2.057 179.650 177.584 0.014 0.000 1.170 328 A CA 2.023 54.068 52.037 0.013 0.000 0.636 328 A CB -1.110 17.896 19.000 0.010 0.000 0.810 328 A HN 0.901 nan 8.150 nan 0.000 0.448 329 Q N -0.794 119.013 119.800 0.012 0.000 2.369 329 Q HA -0.144 4.196 4.340 0.000 0.000 0.206 329 Q C 0.533 176.542 176.000 0.015 0.000 0.963 329 Q CA 1.292 57.103 55.803 0.013 0.000 0.894 329 Q CB 0.007 28.751 28.738 0.010 0.000 0.965 329 Q HN 0.610 nan 8.270 nan 0.000 0.475 330 D N -0.147 120.263 120.400 0.017 0.000 2.354 330 D HA 0.079 4.719 4.640 0.000 0.000 0.209 330 D C 0.122 176.437 176.300 0.025 0.000 1.015 330 D CA 0.211 54.223 54.000 0.019 0.000 0.867 330 D CB 0.392 41.203 40.800 0.019 0.000 0.933 330 D HN 0.272 nan 8.370 nan 0.000 0.520 331 L N 0.706 121.945 121.223 0.027 0.000 2.395 331 L HA 0.397 4.737 4.340 0.000 0.000 0.269 331 L C 1.194 178.084 176.870 0.034 0.000 1.133 331 L CA -0.502 54.358 54.840 0.034 0.000 0.812 331 L CB 1.204 43.282 42.059 0.032 0.000 1.125 331 L HN -0.138 nan 8.230 nan 0.000 0.452 332 G N 0.531 109.357 108.800 0.043 0.000 2.491 332 G HA2 0.499 4.459 3.960 0.000 0.000 0.327 332 G HA3 0.499 4.459 3.960 0.000 0.000 0.327 332 G C -1.341 173.587 174.900 0.046 0.000 1.189 332 G CA -0.424 44.701 45.100 0.041 0.000 0.956 332 G HN 0.519 nan 8.290 nan 0.000 0.491 333 D N -0.327 120.099 120.400 0.042 0.000 2.362 333 D HA 0.657 5.297 4.640 0.000 0.000 0.247 333 D C -0.269 176.059 176.300 0.046 0.000 1.050 333 D CA 0.058 54.084 54.000 0.043 0.000 0.839 333 D CB 1.979 42.801 40.800 0.037 0.000 1.283 333 D HN 0.590 nan 8.370 nan 0.000 0.477 334 A N 0.425 123.276 122.820 0.051 0.000 2.486 334 A HA 0.649 4.969 4.320 0.000 0.000 0.300 334 A C 1.001 178.614 177.584 0.049 0.000 1.048 334 A CA -0.407 51.662 52.037 0.053 0.000 0.696 334 A CB 1.670 20.712 19.000 0.071 0.000 1.278 334 A HN 0.487 nan 8.150 nan 0.000 0.405 335 G N 0.180 109.006 108.800 0.044 0.000 2.402 335 G HA2 0.312 4.272 3.960 0.000 0.000 0.216 335 G HA3 0.312 4.272 3.960 0.000 0.000 0.216 335 G C 0.279 175.203 174.900 0.040 0.000 1.162 335 G CA 1.659 46.782 45.100 0.038 0.000 0.777 335 G HN 1.177 nan 8.290 nan 0.000 0.539 336 L N -0.156 121.098 121.223 0.051 0.000 2.493 336 L HA 0.639 4.979 4.340 0.000 0.000 0.265 336 L C -1.413 175.507 176.870 0.083 0.000 0.954 336 L CA -0.800 54.073 54.840 0.055 0.000 0.844 336 L CB 2.545 44.630 42.059 0.043 0.000 1.302 336 L HN -0.133 nan 8.230 nan 0.000 0.405 337 V N 4.220 124.184 119.914 0.084 0.000 2.407 337 V HA 0.637 4.758 4.120 0.000 0.000 0.291 337 V C -0.535 175.617 176.094 0.096 0.000 1.018 337 V CA -0.440 61.929 62.300 0.114 0.000 0.842 337 V CB 1.455 33.347 31.823 0.114 0.000 0.996 337 V HN 0.827 nan 8.190 nan 0.000 0.426 338 E N 3.187 123.467 120.200 0.133 0.000 2.292 338 E HA 0.412 4.762 4.350 0.000 0.000 0.272 338 E C -1.038 175.658 176.600 0.160 0.000 0.881 338 E CA -0.656 55.805 56.400 0.102 0.000 0.754 338 E CB 2.194 31.922 29.700 0.047 0.000 1.201 338 E HN 0.751 nan 8.360 nan 0.000 0.425 339 E N 4.310 124.575 120.200 0.108 0.000 2.130 339 E HA 0.261 4.611 4.350 0.000 0.000 0.284 339 E C -0.898 175.761 176.600 0.097 0.000 1.018 339 E CA -0.286 56.189 56.400 0.125 0.000 0.817 339 E CB 0.698 30.442 29.700 0.072 0.000 1.078 339 E HN 0.354 nan 8.360 nan 0.000 0.396 340 R N 3.427 124.021 120.500 0.158 0.000 2.807 340 R HA 0.381 4.721 4.340 0.000 0.000 0.276 340 R C -0.740 175.631 176.300 0.118 0.000 0.979 340 R CA -0.964 55.178 56.100 0.070 0.000 0.928 340 R CB 1.880 32.116 30.300 -0.106 0.000 1.191 340 R HN 0.321 nan 8.270 nan 0.000 0.471 341 K N 2.489 122.923 120.400 0.057 0.000 2.262 341 K HA 0.335 4.655 4.320 0.000 0.000 0.282 341 K C -0.483 176.157 176.600 0.066 0.000 1.066 341 K CA -0.328 55.995 56.287 0.061 0.000 0.901 341 K CB 0.793 33.311 32.500 0.031 0.000 1.089 341 K HN 0.255 nan 8.250 nan 0.000 0.476 342 I N 2.523 123.154 120.570 0.100 0.000 2.359 342 I HA 0.051 4.221 4.170 0.000 0.000 0.284 342 I C 0.700 176.854 176.117 0.061 0.000 1.018 342 I CA -0.179 61.182 61.300 0.101 0.000 1.173 342 I CB 0.656 38.761 38.000 0.175 0.000 1.326 342 I HN 0.727 nan 8.210 nan 0.000 0.462 343 S N 4.551 120.275 115.700 0.041 0.000 3.635 343 S HA -0.212 4.258 4.470 0.000 0.000 0.328 343 S C 1.389 176.002 174.600 0.022 0.000 1.135 343 S CA 1.543 59.759 58.200 0.025 0.000 0.942 343 S CB -1.046 62.167 63.200 0.022 0.000 0.930 343 S HN 1.472 nan 8.310 nan 0.000 0.512 344 G N -0.049 108.766 108.800 0.025 0.000 2.363 344 G HA2 -0.283 3.677 3.960 0.000 0.000 0.238 344 G HA3 -0.283 3.677 3.960 0.000 0.000 0.238 344 G C -0.295 174.622 174.900 0.028 0.000 1.062 344 G CA 0.306 45.419 45.100 0.022 0.000 0.629 344 G HN 0.686 nan 8.290 nan 0.000 0.514 345 D N 1.893 122.312 120.400 0.032 0.000 2.425 345 D HA 0.460 5.100 4.640 0.000 0.000 0.247 345 D C 1.020 177.352 176.300 0.053 0.000 1.147 345 D CA 0.823 54.844 54.000 0.034 0.000 0.879 345 D CB 1.275 42.092 40.800 0.027 0.000 1.179 345 D HN 0.652 nan 8.370 nan 0.000 0.456 346 S N 2.389 118.117 115.700 0.048 0.000 2.488 346 S HA 0.461 4.931 4.470 0.000 0.000 0.278 346 S C 0.129 174.771 174.600 0.070 0.000 1.259 346 S CA -0.610 57.628 58.200 0.063 0.000 1.061 346 S CB 0.502 63.730 63.200 0.046 0.000 0.910 346 S HN 0.365 nan 8.310 nan 0.000 0.491 347 M N 2.901 122.570 119.600 0.115 0.000 2.550 347 M HA 0.517 4.997 4.480 0.000 0.000 0.292 347 M C -1.094 175.296 176.300 0.150 0.000 1.221 347 M CA -0.576 54.775 55.300 0.084 0.000 0.873 347 M CB 2.283 34.907 32.600 0.040 0.000 1.727 347 M HN 0.549 nan 8.290 nan 0.000 0.459 348 I N 1.781 122.384 120.570 0.056 0.000 2.362 348 I HA 0.367 4.538 4.170 0.000 0.000 0.289 348 I C -1.332 174.794 176.117 0.016 0.000 0.994 348 I CA -0.389 60.995 61.300 0.140 0.000 1.158 348 I CB 1.067 39.172 38.000 0.177 0.000 1.315 348 I HN 0.467 nan 8.210 nan 0.000 0.451 349 F N 6.114 126.102 119.950 0.062 0.000 2.334 349 F HA 0.333 4.860 4.527 0.000 0.000 0.367 349 F C 0.130 175.965 175.800 0.060 0.000 1.115 349 F CA -0.676 57.351 58.000 0.046 0.000 1.116 349 F CB 1.226 40.243 39.000 0.028 0.000 1.230 349 F HN 0.037 nan 8.300 nan 0.000 0.484 350 V N 4.651 124.655 119.914 0.149 0.000 2.304 350 V HA 0.315 4.435 4.120 0.000 0.000 0.269 350 V C -0.136 176.013 176.094 0.092 0.000 1.036 350 V CA -0.516 61.858 62.300 0.124 0.000 0.840 350 V CB 0.343 32.217 31.823 0.084 0.000 1.036 350 V HN 0.793 nan 8.190 nan 0.000 0.466 351 E N 3.159 123.423 120.200 0.107 0.000 2.423 351 E HA 0.609 4.959 4.350 0.000 0.000 0.269 351 E C -0.726 175.910 176.600 0.060 0.000 0.948 351 E CA -0.856 55.596 56.400 0.086 0.000 0.802 351 E CB 1.568 31.338 29.700 0.117 0.000 1.339 351 E HN 0.206 nan 8.360 nan 0.000 0.445 352 E N -0.794 119.433 120.200 0.045 0.000 2.416 352 E HA -0.150 4.200 4.350 0.000 0.000 0.249 352 E C -0.725 175.894 176.600 0.032 0.000 1.124 352 E CA 0.570 56.990 56.400 0.034 0.000 0.732 352 E CB -2.290 27.430 29.700 0.034 0.000 1.286 352 E HN 0.567 nan 8.360 nan 0.000 0.394 353 C N 0.640 119.955 119.300 0.026 0.000 2.676 353 C HA 0.068 4.528 4.460 0.000 0.000 0.416 353 C C 2.282 177.291 174.990 0.031 0.000 1.299 353 C CA -0.156 58.876 59.018 0.024 0.000 2.048 353 C CB 0.450 28.194 27.740 0.006 0.000 2.713 353 C HN 0.410 nan 8.230 nan 0.000 0.624 354 K N 0.629 121.058 120.400 0.047 0.000 1.969 354 K HA -0.145 4.175 4.320 0.000 0.000 0.216 354 K C 0.601 177.270 176.600 0.115 0.000 1.048 354 K CA 1.714 58.043 56.287 0.070 0.000 0.948 354 K CB -0.124 32.418 32.500 0.070 0.000 0.726 354 K HN 0.749 nan 8.250 nan 0.000 0.442 355 H N 0.621 119.695 119.070 0.006 0.000 2.569 355 H HA 0.217 4.773 4.556 0.000 0.000 0.247 355 H C -2.676 172.653 175.328 0.001 0.000 1.346 355 H CA -2.319 53.732 56.048 0.004 0.000 1.502 355 H CB 0.539 30.303 29.762 0.003 0.000 1.512 355 H HN -0.020 nan 8.280 nan 0.000 0.502 356 P HA 0.075 nan 4.420 nan 0.000 0.271 356 P C 0.317 177.478 177.300 -0.232 0.000 1.220 356 P CA -0.264 62.747 63.100 -0.147 0.000 0.768 356 P CB 1.668 33.309 31.700 -0.099 0.000 0.848 357 K N 1.618 121.939 120.400 -0.131 0.000 2.374 357 K HA 0.317 4.637 4.320 0.000 0.000 0.196 357 K C -0.040 176.515 176.600 -0.075 0.000 1.023 357 K CA -0.081 56.145 56.287 -0.102 0.000 1.103 357 K CB 0.361 32.839 32.500 -0.037 0.000 0.848 357 K HN 0.576 nan 8.250 nan 0.000 0.528 358 A N 0.955 123.730 122.820 -0.075 0.000 2.427 358 A HA 0.528 4.848 4.320 0.000 0.000 0.298 358 A C -0.941 176.604 177.584 -0.065 0.000 1.036 358 A CA -0.740 51.259 52.037 -0.063 0.000 0.701 358 A CB 1.467 20.430 19.000 -0.061 0.000 1.250 358 A HN 0.042 nan 8.150 nan 0.000 0.412 359 V N -0.795 119.085 119.914 -0.057 0.000 3.074 359 V HA 0.969 5.089 4.120 0.000 0.000 0.314 359 V C -0.429 175.636 176.094 -0.049 0.000 1.117 359 V CA -0.612 61.659 62.300 -0.049 0.000 1.014 359 V CB 1.722 33.521 31.823 -0.041 0.000 1.057 359 V HN 0.826 nan 8.190 nan 0.000 0.438 360 T N 3.977 118.504 114.554 -0.045 0.000 2.841 360 T HA 0.552 4.902 4.350 0.000 0.000 0.285 360 T C -0.572 174.109 174.700 -0.032 0.000 0.991 360 T CA -0.208 61.860 62.100 -0.053 0.000 0.966 360 T CB 1.358 70.173 68.868 -0.089 0.000 0.962 360 T HN 0.956 nan 8.240 nan 0.000 0.438 361 M N 4.625 124.208 119.600 -0.028 0.000 2.101 361 M HA 0.544 5.024 4.480 0.000 0.000 0.340 361 M C -1.421 174.873 176.300 -0.010 0.000 1.057 361 M CA -1.087 54.207 55.300 -0.009 0.000 0.984 361 M CB 0.564 33.159 32.600 -0.008 0.000 1.560 361 M HN 0.484 nan 8.290 nan 0.000 0.435 362 L N 7.059 128.289 121.223 0.013 0.000 2.257 362 L HA 0.518 4.858 4.340 0.000 0.000 0.290 362 L C -1.386 175.502 176.870 0.030 0.000 1.044 362 L CA -0.034 54.819 54.840 0.022 0.000 0.810 362 L CB 0.806 42.908 42.059 0.071 0.000 1.193 362 L HN 0.674 nan 8.230 nan 0.000 0.425 363 I N 5.965 126.545 120.570 0.017 0.000 2.331 363 I HA 0.480 4.651 4.170 0.000 0.000 0.292 363 I C 0.163 176.294 176.117 0.022 0.000 0.998 363 I CA -0.074 61.236 61.300 0.017 0.000 1.267 363 I CB 0.686 38.692 38.000 0.009 0.000 1.386 363 I HN 0.522 nan 8.210 nan 0.000 0.476 364 R N 3.993 124.507 120.500 0.024 0.000 2.873 364 R HA 0.944 5.284 4.340 0.000 0.000 0.264 364 R C -0.231 176.080 176.300 0.019 0.000 1.026 364 R CA -1.153 54.961 56.100 0.024 0.000 1.002 364 R CB 1.797 32.114 30.300 0.028 0.000 1.174 364 R HN 0.821 nan 8.270 nan 0.000 0.488 365 G N -0.872 107.938 108.800 0.017 0.000 2.340 365 G HA2 0.061 4.021 3.960 0.000 0.000 0.298 365 G HA3 0.061 4.021 3.960 0.000 0.000 0.298 365 G C -0.009 174.900 174.900 0.015 0.000 1.498 365 G CA -0.560 44.550 45.100 0.017 0.000 0.847 365 G HN 0.303 nan 8.290 nan 0.000 0.594 366 T N 0.372 114.936 114.554 0.017 0.000 2.915 366 T HA 0.200 4.550 4.350 0.000 0.000 0.269 366 T C 0.865 175.575 174.700 0.015 0.000 1.071 366 T CA 2.027 64.137 62.100 0.016 0.000 1.132 366 T CB -0.162 68.717 68.868 0.019 0.000 0.878 366 T HN 0.666 nan 8.240 nan 0.000 0.479 367 T N -0.172 114.392 114.554 0.017 0.000 2.889 367 T HA 0.280 4.630 4.350 0.000 0.000 0.315 367 T C 0.604 175.297 174.700 -0.012 0.000 1.291 367 T CA -0.746 61.359 62.100 0.009 0.000 1.028 367 T CB 2.550 71.441 68.868 0.038 0.000 1.235 367 T HN -0.081 nan 8.240 nan 0.000 0.491 368 E N 0.798 120.955 120.200 -0.073 0.000 2.086 368 E HA -0.256 4.094 4.350 0.000 0.000 0.200 368 E C 1.543 178.062 176.600 -0.136 0.000 1.012 368 E CA 2.053 58.367 56.400 -0.144 0.000 0.812 368 E CB -0.127 29.419 29.700 -0.258 0.000 0.743 368 E HN 0.626 nan 8.360 nan 0.000 0.453 369 H N -0.935 118.138 119.070 0.004 0.000 2.495 369 H HA 0.014 4.570 4.556 0.000 0.000 0.287 369 H C 2.123 177.453 175.328 0.004 0.000 1.033 369 H CA 1.213 57.262 56.048 0.003 0.000 1.307 369 H CB -0.010 29.753 29.762 0.002 0.000 1.401 369 H HN 0.120 nan 8.280 nan 0.000 0.555 370 V N 2.035 122.014 119.914 0.109 0.000 2.283 370 V HA -0.211 3.909 4.120 0.000 0.000 0.243 370 V C 2.673 178.793 176.094 0.043 0.000 1.039 370 V CA 1.745 64.083 62.300 0.064 0.000 1.016 370 V CB -0.571 31.280 31.823 0.046 0.000 0.650 370 V HN 0.408 nan 8.190 nan 0.000 0.449 371 I N -1.017 119.568 120.570 0.026 0.000 2.614 371 I HA -0.161 4.009 4.170 0.000 0.000 0.258 371 I C 2.256 178.382 176.117 0.016 0.000 1.189 371 I CA 1.904 63.213 61.300 0.015 0.000 1.462 371 I CB -0.520 37.483 38.000 0.003 0.000 1.092 371 I HN 0.427 nan 8.210 nan 0.000 0.442 372 E N 1.863 122.079 120.200 0.025 0.000 2.047 372 E HA -0.293 4.057 4.350 0.000 0.000 0.191 372 E C 2.210 178.834 176.600 0.040 0.000 0.987 372 E CA 1.386 57.807 56.400 0.035 0.000 0.799 372 E CB -0.100 29.642 29.700 0.069 0.000 0.752 372 E HN 0.681 nan 8.360 nan 0.000 0.449 373 E N -0.173 120.057 120.200 0.049 0.000 2.106 373 E HA -0.146 4.204 4.350 0.000 0.000 0.192 373 E C 2.069 178.684 176.600 0.025 0.000 0.984 373 E CA 1.091 57.513 56.400 0.036 0.000 0.806 373 E CB 0.245 29.968 29.700 0.037 0.000 0.750 373 E HN 0.168 nan 8.360 nan 0.000 0.458 374 V N 1.039 120.967 119.914 0.024 0.000 2.379 374 V HA -0.209 3.911 4.120 0.000 0.000 0.245 374 V C 2.428 178.529 176.094 0.013 0.000 1.044 374 V CA 1.630 63.941 62.300 0.018 0.000 1.036 374 V CB -0.653 31.181 31.823 0.018 0.000 0.664 374 V HN 0.408 nan 8.190 nan 0.000 0.453 375 A N 0.550 123.376 122.820 0.011 0.000 1.908 375 A HA -0.292 4.028 4.320 0.000 0.000 0.218 375 A C 2.304 179.892 177.584 0.005 0.000 1.181 375 A CA 2.370 54.410 52.037 0.005 0.000 0.627 375 A CB -0.537 18.464 19.000 0.002 0.000 0.818 375 A HN 0.482 nan 8.150 nan 0.000 0.445 376 R N 0.083 120.589 120.500 0.010 0.000 2.075 376 R HA 0.010 4.350 4.340 0.000 0.000 0.232 376 R C 2.152 178.457 176.300 0.008 0.000 1.126 376 R CA 1.921 58.026 56.100 0.009 0.000 0.963 376 R CB -0.842 29.465 30.300 0.012 0.000 0.858 376 R HN 0.377 nan 8.270 nan 0.000 0.435 377 A N 0.200 123.027 122.820 0.011 0.000 1.877 377 A HA -0.122 4.198 4.320 0.000 0.000 0.216 377 A C 2.241 179.830 177.584 0.008 0.000 1.186 377 A CA 1.983 54.027 52.037 0.011 0.000 0.620 377 A CB -0.952 18.057 19.000 0.015 0.000 0.822 377 A HN 0.333 nan 8.150 nan 0.000 0.443 378 V N -2.324 117.594 119.914 0.007 0.000 2.871 378 V HA -0.130 3.990 4.120 0.000 0.000 0.256 378 V C 1.927 178.021 176.094 0.001 0.000 1.082 378 V CA 2.058 64.361 62.300 0.004 0.000 1.105 378 V CB -0.709 31.116 31.823 0.003 0.000 0.713 378 V HN 0.542 nan 8.190 nan 0.000 0.473 379 D N 1.526 121.926 120.400 0.000 0.000 2.123 379 D HA -0.258 4.382 4.640 0.000 0.000 0.196 379 D C 1.602 177.902 176.300 -0.001 0.000 0.992 379 D CA 2.262 56.261 54.000 -0.002 0.000 0.833 379 D CB -0.069 40.730 40.800 -0.002 0.000 0.954 379 D HN 0.612 nan 8.370 nan 0.000 0.455 380 D N -0.033 120.367 120.400 0.002 0.000 2.149 380 D HA -0.017 4.623 4.640 0.000 0.000 0.201 380 D C 2.012 178.314 176.300 0.003 0.000 0.972 380 D CA 1.203 55.205 54.000 0.003 0.000 0.835 380 D CB -0.240 40.563 40.800 0.005 0.000 0.966 380 D HN 0.240 nan 8.370 nan 0.000 0.476 381 A N 0.407 123.229 122.820 0.004 0.000 1.933 381 A HA -0.144 4.177 4.320 0.000 0.000 0.218 381 A C 2.335 179.919 177.584 0.001 0.000 1.175 381 A CA 1.064 53.103 52.037 0.004 0.000 0.628 381 A CB -0.788 18.214 19.000 0.004 0.000 0.814 381 A HN 0.149 nan 8.150 nan 0.000 0.444 382 V N -0.075 119.838 119.914 -0.001 0.000 2.343 382 V HA -0.182 3.938 4.120 0.000 0.000 0.247 382 V C 2.805 178.898 176.094 -0.003 0.000 1.051 382 V CA 1.887 64.185 62.300 -0.004 0.000 1.036 382 V CB -1.436 30.383 31.823 -0.007 0.000 0.654 382 V HN 0.618 nan 8.190 nan 0.000 0.451 383 G N 0.549 109.348 108.800 -0.002 0.000 2.446 383 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 383 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 383 G C 1.694 176.594 174.900 0.000 0.000 1.168 383 G CA 1.672 46.771 45.100 -0.001 0.000 0.771 383 G HN 0.603 nan 8.290 nan 0.000 0.551 384 V N -1.721 118.193 119.914 0.001 0.000 2.788 384 V HA 0.068 4.189 4.120 0.000 0.000 0.251 384 V C 2.566 178.662 176.094 0.002 0.000 1.068 384 V CA 1.170 63.472 62.300 0.003 0.000 1.090 384 V CB -0.182 31.644 31.823 0.005 0.000 0.710 384 V HN 0.123 nan 8.190 nan 0.000 0.467 385 V N 1.846 121.761 119.914 0.001 0.000 2.719 385 V HA 0.077 4.197 4.120 0.000 0.000 0.252 385 V C 2.783 178.877 176.094 -0.000 0.000 1.065 385 V CA 1.857 64.157 62.300 0.001 0.000 1.086 385 V CB -0.819 31.003 31.823 -0.001 0.000 0.700 385 V HN 0.616 nan 8.190 nan 0.000 0.467 386 G N -1.233 107.567 108.800 -0.001 0.000 2.421 386 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 386 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 386 G C 1.682 176.582 174.900 0.000 0.000 1.143 386 G CA 1.157 46.256 45.100 -0.001 0.000 0.784 386 G HN 0.527 nan 8.290 nan 0.000 0.541 387 C N 0.620 119.921 119.300 0.001 0.000 2.429 387 C HA -0.013 4.447 4.460 0.000 0.000 0.277 387 C C 3.184 178.175 174.990 0.002 0.000 1.262 387 C CA 1.514 60.533 59.018 0.002 0.000 1.733 387 C CB -0.923 26.819 27.740 0.002 0.000 2.010 387 C HN 0.414 nan 8.230 nan 0.000 0.483 388 T N 1.033 115.588 114.554 0.003 0.000 2.915 388 T HA -0.005 4.346 4.350 0.000 0.000 0.269 388 T C 1.574 176.276 174.700 0.003 0.000 1.071 388 T CA 1.061 63.163 62.100 0.003 0.000 1.132 388 T CB -0.192 68.678 68.868 0.003 0.000 0.878 388 T HN 0.504 nan 8.240 nan 0.000 0.479 389 I N 0.528 121.099 120.570 0.003 0.000 2.333 389 I HA -0.040 4.130 4.170 0.000 0.000 0.246 389 I C 2.549 178.668 176.117 0.003 0.000 1.106 389 I CA 1.117 62.419 61.300 0.003 0.000 1.411 389 I CB -0.163 37.839 38.000 0.003 0.000 1.082 389 I HN 0.244 nan 8.210 nan 0.000 0.420 390 E N -0.081 120.121 120.200 0.003 0.000 2.072 390 E HA -0.142 4.208 4.350 0.000 0.000 0.190 390 E C 0.508 177.109 176.600 0.003 0.000 0.982 390 E CA 0.719 57.121 56.400 0.003 0.000 0.803 390 E CB 0.245 29.946 29.700 0.003 0.000 0.755 390 E HN 0.191 nan 8.360 nan 0.000 0.453 391 D N -0.585 119.817 120.400 0.003 0.000 2.454 391 D HA 0.126 4.766 4.640 0.000 0.000 0.247 391 D C -0.077 176.225 176.300 0.003 0.000 1.129 391 D CA -0.302 53.700 54.000 0.003 0.000 0.877 391 D CB 1.348 42.149 40.800 0.003 0.000 1.082 391 D HN 0.088 nan 8.370 nan 0.000 0.537 392 G N 3.209 112.011 108.800 0.003 0.000 3.332 392 G HA2 0.031 3.991 3.960 0.000 0.000 0.242 392 G HA3 0.031 3.991 3.960 0.000 0.000 0.242 392 G C 0.476 175.378 174.900 0.004 0.000 1.276 392 G CA -0.179 44.923 45.100 0.003 0.000 0.988 392 G HN 0.204 nan 8.290 nan 0.000 0.517 393 R N -0.342 120.160 120.500 0.004 0.000 2.562 393 R HA 0.658 4.998 4.340 0.000 0.000 0.298 393 R C -0.319 175.984 176.300 0.005 0.000 0.961 393 R CA -0.639 55.464 56.100 0.005 0.000 0.881 393 R CB 1.659 31.962 30.300 0.004 0.000 1.159 393 R HN 0.294 nan 8.270 nan 0.000 0.450 394 I N -0.918 119.655 120.570 0.007 0.000 3.145 394 I HA 0.859 5.029 4.170 0.000 0.000 0.313 394 I C -0.668 175.455 176.117 0.010 0.000 1.122 394 I CA -1.254 60.051 61.300 0.008 0.000 0.987 394 I CB 2.249 40.254 38.000 0.008 0.000 1.236 394 I HN 0.336 nan 8.210 nan 0.000 0.453 395 V N -0.255 119.666 119.914 0.013 0.000 3.049 395 V HA 0.826 4.946 4.120 0.000 0.000 0.309 395 V C 0.018 176.125 176.094 0.021 0.000 1.148 395 V CA -0.380 61.931 62.300 0.017 0.000 0.990 395 V CB 1.023 32.856 31.823 0.018 0.000 1.039 395 V HN 1.178 nan 8.190 nan 0.000 0.430 396 S N 1.949 117.666 115.700 0.028 0.000 2.576 396 S HA 0.705 5.175 4.470 0.000 0.000 0.276 396 S C 0.573 175.192 174.600 0.031 0.000 1.339 396 S CA 0.178 58.397 58.200 0.032 0.000 1.039 396 S CB 1.014 64.239 63.200 0.041 0.000 0.902 396 S HN 1.826 nan 8.310 nan 0.000 0.516 397 G N 0.147 108.966 108.800 0.031 0.000 2.630 397 G HA2 0.532 4.492 3.960 0.000 0.000 0.223 397 G HA3 0.532 4.492 3.960 0.000 0.000 0.223 397 G C 0.925 175.842 174.900 0.028 0.000 1.434 397 G CA -0.512 44.604 45.100 0.027 0.000 1.057 397 G HN 2.055 nan 8.290 nan 0.000 0.570 398 G N -2.047 106.768 108.800 0.025 0.000 2.153 398 G HA2 0.221 4.181 3.960 0.000 0.000 0.252 398 G HA3 0.221 4.181 3.960 0.000 0.000 0.252 398 G C 1.525 176.423 174.900 -0.003 0.000 0.994 398 G CA 1.157 46.268 45.100 0.020 0.000 0.698 398 G HN 2.469 nan 8.290 nan 0.000 0.521 399 G N -1.158 107.632 108.800 -0.017 0.000 2.168 399 G HA2 -0.143 3.817 3.960 0.000 0.000 0.263 399 G HA3 -0.143 3.817 3.960 0.000 0.000 0.263 399 G C 1.500 176.357 174.900 -0.073 0.000 0.977 399 G CA 1.767 46.840 45.100 -0.045 0.000 0.659 399 G HN 1.981 nan 8.290 nan 0.000 0.533 400 S N 0.086 115.762 115.700 -0.040 0.000 2.382 400 S HA -0.160 4.311 4.470 0.000 0.000 0.228 400 S C 2.799 177.337 174.600 -0.105 0.000 1.027 400 S CA 2.656 60.821 58.200 -0.059 0.000 0.991 400 S CB -0.593 62.679 63.200 0.120 0.000 0.823 400 S HN 1.377 nan 8.310 nan 0.000 0.469 401 T N 0.136 114.674 114.554 -0.027 0.000 2.569 401 T HA -0.125 4.225 4.350 0.000 0.000 0.263 401 T C 1.570 176.230 174.700 -0.066 0.000 1.074 401 T CA 1.679 63.770 62.100 -0.014 0.000 1.176 401 T CB -1.070 67.795 68.868 -0.004 0.000 0.863 401 T HN 0.375 nan 8.240 nan 0.000 0.410 402 E N 0.859 121.011 120.200 -0.080 0.000 2.219 402 E HA -0.051 4.299 4.350 0.000 0.000 0.198 402 E C 2.216 178.739 176.600 -0.128 0.000 0.998 402 E CA 0.738 57.083 56.400 -0.092 0.000 0.818 402 E CB -0.727 28.915 29.700 -0.096 0.000 0.741 402 E HN 0.457 nan 8.360 nan 0.000 0.477 403 V N 0.380 120.164 119.914 -0.216 0.000 2.453 403 V HA -0.218 3.902 4.120 0.000 0.000 0.247 403 V C 2.259 178.182 176.094 -0.285 0.000 1.048 403 V CA 1.825 63.940 62.300 -0.309 0.000 1.049 403 V CB -0.365 31.144 31.823 -0.524 0.000 0.672 403 V HN 0.223 nan 8.190 nan 0.000 0.457 404 E N 0.516 120.554 120.200 -0.269 0.000 2.051 404 E HA -0.204 4.146 4.350 0.000 0.000 0.192 404 E C 1.881 178.501 176.600 0.032 0.000 0.991 404 E CA 1.448 57.883 56.400 0.059 0.000 0.799 404 E CB -0.324 29.496 29.700 0.201 0.000 0.748 404 E HN 0.368 nan 8.360 nan 0.000 0.449 405 L N 0.357 121.578 121.223 -0.003 0.000 2.093 405 L HA -0.052 4.288 4.340 0.000 0.000 0.208 405 L C 2.410 179.294 176.870 0.022 0.000 1.085 405 L CA 1.515 56.363 54.840 0.013 0.000 0.755 405 L CB -0.879 41.185 42.059 0.010 0.000 0.904 405 L HN 0.062 nan 8.230 nan 0.000 0.435 406 S N -1.097 114.598 115.700 -0.009 0.000 2.356 406 S HA -0.169 4.301 4.470 0.000 0.000 0.223 406 S C 1.983 176.601 174.600 0.029 0.000 1.032 406 S CA 1.227 59.428 58.200 0.001 0.000 1.005 406 S CB -0.183 62.995 63.200 -0.037 0.000 0.867 406 S HN 0.292 nan 8.310 nan 0.000 0.449 407 M N 0.993 120.609 119.600 0.027 0.000 2.099 407 M HA 0.007 4.487 4.480 0.000 0.000 0.262 407 M C 1.997 178.336 176.300 0.064 0.000 1.067 407 M CA 1.504 56.833 55.300 0.048 0.000 1.124 407 M CB -1.167 31.472 32.600 0.064 0.000 1.353 407 M HN 0.054 nan 8.290 nan 0.000 0.410 408 K N 0.391 120.830 120.400 0.064 0.000 2.155 408 K HA 0.072 4.393 4.320 0.000 0.000 0.203 408 K C 1.960 178.621 176.600 0.101 0.000 1.052 408 K CA 0.750 57.079 56.287 0.071 0.000 0.948 408 K CB -0.428 32.101 32.500 0.048 0.000 0.728 408 K HN 0.268 nan 8.250 nan 0.000 0.448 409 L N -0.139 121.143 121.223 0.098 0.000 2.240 409 L HA -0.057 4.283 4.340 0.000 0.000 0.211 409 L C 2.113 179.094 176.870 0.185 0.000 1.106 409 L CA 0.849 55.781 54.840 0.153 0.000 0.793 409 L CB -0.171 41.978 42.059 0.150 0.000 0.927 409 L HN 0.113 nan 8.230 nan 0.000 0.446 410 R N 0.141 120.716 120.500 0.125 0.000 2.092 410 R HA -0.148 4.192 4.340 0.000 0.000 0.231 410 R C 2.046 178.401 176.300 0.093 0.000 1.119 410 R CA 1.240 57.399 56.100 0.099 0.000 0.970 410 R CB -0.171 30.170 30.300 0.068 0.000 0.864 410 R HN 0.449 nan 8.270 nan 0.000 0.440 411 E N -0.370 119.892 120.200 0.102 0.000 2.107 411 E HA -0.200 4.150 4.350 0.000 0.000 0.191 411 E C 1.581 178.249 176.600 0.113 0.000 0.982 411 E CA 0.859 57.314 56.400 0.090 0.000 0.809 411 E CB -0.100 29.652 29.700 0.086 0.000 0.756 411 E HN 0.298 nan 8.360 nan 0.000 0.459 412 Y N 1.382 121.694 120.300 0.021 0.000 2.181 412 Y HA -0.207 4.343 4.550 0.000 0.000 0.288 412 Y C 2.210 178.119 175.900 0.014 0.000 1.146 412 Y CA 1.305 59.413 58.100 0.014 0.000 1.164 412 Y CB -0.395 38.071 38.460 0.010 0.000 0.982 412 Y HN -0.010 nan 8.280 nan 0.000 0.515 413 A N -0.141 122.702 122.820 0.037 0.000 1.933 413 A HA -0.225 4.095 4.320 0.000 0.000 0.218 413 A C 2.103 179.647 177.584 -0.066 0.000 1.175 413 A CA 1.884 53.906 52.037 -0.026 0.000 0.628 413 A CB -0.790 18.246 19.000 0.061 0.000 0.814 413 A HN 0.501 nan 8.150 nan 0.000 0.444 414 E N -0.049 120.131 120.200 -0.033 0.000 2.110 414 E HA -0.076 4.274 4.350 0.000 0.000 0.193 414 E C 1.932 178.491 176.600 -0.068 0.000 0.988 414 E CA 1.497 57.877 56.400 -0.032 0.000 0.804 414 E CB -0.656 29.041 29.700 -0.005 0.000 0.745 414 E HN 0.444 nan 8.360 nan 0.000 0.458 415 G N 0.321 109.053 108.800 -0.113 0.000 2.421 415 G HA2 -0.133 3.827 3.960 0.000 0.000 0.217 415 G HA3 -0.133 3.827 3.960 0.000 0.000 0.217 415 G C 1.433 176.221 174.900 -0.187 0.000 1.143 415 G CA 0.614 45.630 45.100 -0.140 0.000 0.784 415 G HN 0.201 nan 8.290 nan 0.000 0.541 416 I N 0.367 120.778 120.570 -0.265 0.000 2.193 416 I HA 0.005 4.175 4.170 0.000 0.000 0.240 416 I C 1.704 177.749 176.117 -0.121 0.000 1.084 416 I CA 1.084 62.244 61.300 -0.234 0.000 1.365 416 I CB -1.091 36.744 38.000 -0.275 0.000 1.064 416 I HN 0.298 nan 8.210 nan 0.000 0.410 417 S N -1.235 114.411 115.700 -0.090 0.000 3.443 417 S HA -0.117 4.353 4.470 0.000 0.000 0.635 417 S C 0.766 175.344 174.600 -0.037 0.000 2.555 417 S CA 1.445 59.615 58.200 -0.051 0.000 2.778 417 S CB -1.357 61.815 63.200 -0.046 0.000 0.331 417 S HN 1.427 nan 8.310 nan 0.000 1.765 418 G N 1.143 109.927 108.800 -0.025 0.000 2.566 418 G HA2 -0.337 3.623 3.960 0.000 0.000 0.280 418 G HA3 -0.337 3.623 3.960 0.000 0.000 0.280 418 G C 0.350 175.245 174.900 -0.007 0.000 1.225 418 G CA 1.673 46.763 45.100 -0.017 0.000 0.966 418 G HN 1.869 nan 8.290 nan 0.000 0.560 419 R N 0.421 120.919 120.500 -0.003 0.000 2.223 419 R HA 0.322 4.662 4.340 0.000 0.000 0.198 419 R C 2.044 178.352 176.300 0.013 0.000 0.984 419 R CA 1.361 57.465 56.100 0.008 0.000 1.018 419 R CB -0.209 30.099 30.300 0.012 0.000 0.945 419 R HN 0.640 nan 8.270 nan 0.000 0.479 420 E N 2.085 122.288 120.200 0.003 0.000 2.204 420 E HA -0.257 4.093 4.350 0.000 0.000 0.195 420 E C 1.985 178.597 176.600 0.022 0.000 0.990 420 E CA 1.616 58.021 56.400 0.008 0.000 0.821 420 E CB -0.055 29.639 29.700 -0.010 0.000 0.750 420 E HN 0.653 nan 8.360 nan 0.000 0.477 421 Q N 0.841 120.645 119.800 0.007 0.000 2.124 421 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 421 Q C 2.246 178.280 176.000 0.056 0.000 0.977 421 Q CA 1.091 56.902 55.803 0.013 0.000 0.850 421 Q CB -0.318 28.416 28.738 -0.006 0.000 0.901 421 Q HN 0.223 nan 8.270 nan 0.000 0.429 422 L N 1.208 122.465 121.223 0.056 0.000 2.083 422 L HA -0.050 4.290 4.340 0.000 0.000 0.209 422 L C 2.428 179.375 176.870 0.129 0.000 1.083 422 L CA 2.025 56.910 54.840 0.076 0.000 0.752 422 L CB -0.857 41.236 42.059 0.056 0.000 0.899 422 L HN 0.338 nan 8.230 nan 0.000 0.433 423 A N -1.347 121.557 122.820 0.141 0.000 1.902 423 A HA -0.133 4.187 4.320 0.000 0.000 0.217 423 A C 2.228 180.039 177.584 0.378 0.000 1.181 423 A CA 1.925 54.115 52.037 0.256 0.000 0.623 423 A CB -0.973 18.112 19.000 0.141 0.000 0.818 423 A HN 0.289 nan 8.150 nan 0.000 0.443 424 V N -0.122 119.935 119.914 0.238 0.000 2.453 424 V HA -0.213 3.907 4.120 0.000 0.000 0.247 424 V C 2.582 178.811 176.094 0.224 0.000 1.048 424 V CA 1.999 64.435 62.300 0.227 0.000 1.049 424 V CB -0.813 31.118 31.823 0.180 0.000 0.672 424 V HN 0.508 nan 8.190 nan 0.000 0.457 425 R N 0.385 120.985 120.500 0.168 0.000 2.081 425 R HA -0.087 4.253 4.340 0.000 0.000 0.235 425 R C 2.444 178.821 176.300 0.128 0.000 1.131 425 R CA 1.492 57.669 56.100 0.128 0.000 0.960 425 R CB -0.566 29.788 30.300 0.089 0.000 0.856 425 R HN 0.520 nan 8.270 nan 0.000 0.436 426 A N 0.565 123.482 122.820 0.163 0.000 1.930 426 A HA -0.161 4.159 4.320 0.000 0.000 0.217 426 A C 1.942 179.578 177.584 0.088 0.000 1.175 426 A CA 0.888 53.011 52.037 0.143 0.000 0.627 426 A CB -0.557 18.573 19.000 0.216 0.000 0.815 426 A HN 0.341 nan 8.150 nan 0.000 0.443 427 F N 0.917 120.837 119.950 -0.051 0.000 2.102 427 F HA -0.088 4.439 4.527 0.000 0.000 0.298 427 F C 2.538 178.253 175.800 -0.141 0.000 1.105 427 F CA 1.336 59.177 58.000 -0.264 0.000 1.239 427 F CB -0.264 38.549 39.000 -0.311 0.000 0.991 427 F HN 0.255 nan 8.300 nan 0.000 0.474 428 A N -0.158 122.755 122.820 0.155 0.000 1.877 428 A HA -0.198 4.122 4.320 0.000 0.000 0.216 428 A C 1.933 179.498 177.584 -0.031 0.000 1.186 428 A CA 2.028 54.112 52.037 0.077 0.000 0.620 428 A CB -0.982 18.087 19.000 0.116 0.000 0.822 428 A HN 0.419 nan 8.150 nan 0.000 0.443 429 D N -0.111 120.277 120.400 -0.021 0.000 2.178 429 D HA 0.024 4.664 4.640 0.000 0.000 0.202 429 D C 2.155 178.402 176.300 -0.089 0.000 0.974 429 D CA 1.264 55.241 54.000 -0.039 0.000 0.841 429 D CB -0.329 40.467 40.800 -0.008 0.000 0.953 429 D HN 0.418 nan 8.370 nan 0.000 0.478 430 A N 0.425 123.156 122.820 -0.148 0.000 1.972 430 A HA -0.126 4.194 4.320 0.000 0.000 0.219 430 A C 1.994 179.440 177.584 -0.230 0.000 1.169 430 A CA 0.771 52.686 52.037 -0.204 0.000 0.635 430 A CB -0.499 18.316 19.000 -0.308 0.000 0.810 430 A HN 0.151 nan 8.150 nan 0.000 0.446 431 L N 0.364 121.428 121.223 -0.265 0.000 2.353 431 L HA -0.110 4.230 4.340 0.000 0.000 0.220 431 L C 2.000 178.784 176.870 -0.143 0.000 1.133 431 L CA 1.336 56.043 54.840 -0.222 0.000 0.798 431 L CB -0.582 41.355 42.059 -0.204 0.000 0.922 431 L HN 0.393 nan 8.230 nan 0.000 0.445 432 E N -1.013 119.116 120.200 -0.117 0.000 2.409 432 E HA -0.136 4.215 4.350 0.000 0.000 0.198 432 E C 2.337 178.888 176.600 -0.081 0.000 1.024 432 E CA 0.663 57.010 56.400 -0.088 0.000 0.861 432 E CB -0.401 29.258 29.700 -0.068 0.000 0.788 432 E HN 0.352 nan 8.360 nan 0.000 0.521 433 V N 1.283 121.142 119.914 -0.092 0.000 2.568 433 V HA -0.231 3.889 4.120 0.000 0.000 0.253 433 V C 1.889 177.941 176.094 -0.070 0.000 1.072 433 V CA 1.023 63.276 62.300 -0.077 0.000 1.084 433 V CB -0.273 31.499 31.823 -0.085 0.000 0.676 433 V HN 0.126 nan 8.190 nan 0.000 0.469 434 I N 1.364 121.888 120.570 -0.077 0.000 2.133 434 I HA -0.051 4.119 4.170 0.000 0.000 0.238 434 I C 0.227 176.310 176.117 -0.058 0.000 1.074 434 I CA 1.787 63.047 61.300 -0.067 0.000 1.342 434 I CB -2.909 35.049 38.000 -0.070 0.000 1.053 434 I HN 0.348 nan 8.210 nan 0.000 0.404 435 P HA -0.145 nan 4.420 nan 0.000 0.221 435 P C 1.750 179.022 177.300 -0.047 0.000 1.150 435 P CA 1.388 64.458 63.100 -0.051 0.000 0.800 435 P CB -0.130 31.538 31.700 -0.053 0.000 0.787 436 R N -0.055 120.416 120.500 -0.049 0.000 2.066 436 R HA -0.050 4.290 4.340 0.000 0.000 0.232 436 R C 1.978 178.252 176.300 -0.043 0.000 1.131 436 R CA 1.915 57.989 56.100 -0.043 0.000 0.955 436 R CB -0.691 29.584 30.300 -0.043 0.000 0.851 436 R HN 0.052 nan 8.270 nan 0.000 0.432 437 T N 1.327 115.853 114.554 -0.047 0.000 2.942 437 T HA 0.016 4.367 4.350 0.000 0.000 0.265 437 T C 1.773 176.443 174.700 -0.050 0.000 1.062 437 T CA 0.759 62.832 62.100 -0.046 0.000 1.139 437 T CB -0.015 68.826 68.868 -0.046 0.000 0.883 437 T HN 0.142 nan 8.240 nan 0.000 0.468 438 L N 0.920 122.110 121.223 -0.054 0.000 2.042 438 L HA -0.136 4.204 4.340 0.000 0.000 0.210 438 L C 3.003 179.833 176.870 -0.067 0.000 1.076 438 L CA 1.385 56.187 54.840 -0.063 0.000 0.749 438 L CB -0.614 41.409 42.059 -0.060 0.000 0.893 438 L HN 0.250 nan 8.230 nan 0.000 0.432 439 A N -0.510 122.277 122.820 -0.055 0.000 1.929 439 A HA -0.184 4.136 4.320 0.000 0.000 0.216 439 A C 2.169 179.724 177.584 -0.049 0.000 1.176 439 A CA 1.334 53.340 52.037 -0.051 0.000 0.628 439 A CB -0.359 18.617 19.000 -0.040 0.000 0.816 439 A HN 0.415 nan 8.150 nan 0.000 0.444 440 E N 0.036 120.210 120.200 -0.044 0.000 2.058 440 E HA -0.194 4.156 4.350 0.000 0.000 0.194 440 E C 1.645 178.218 176.600 -0.044 0.000 0.997 440 E CA 1.298 57.674 56.400 -0.040 0.000 0.801 440 E CB -0.173 29.506 29.700 -0.036 0.000 0.746 440 E HN 0.530 nan 8.360 nan 0.000 0.450 441 N N 0.287 118.956 118.700 -0.052 0.000 2.244 441 N HA -0.085 4.655 4.740 0.000 0.000 0.183 441 N C 1.451 176.918 175.510 -0.071 0.000 1.016 441 N CA 1.060 54.075 53.050 -0.058 0.000 0.866 441 N CB -0.134 38.316 38.487 -0.062 0.000 0.980 441 N HN 0.109 nan 8.380 nan 0.000 0.430 442 A N -0.023 122.748 122.820 -0.082 0.000 2.067 442 A HA 0.320 4.640 4.320 0.000 0.000 0.217 442 A C 1.464 179.008 177.584 -0.066 0.000 1.156 442 A CA 1.061 53.040 52.037 -0.096 0.000 0.683 442 A CB -0.413 18.519 19.000 -0.114 0.000 0.808 442 A HN 0.310 nan 8.150 nan 0.000 0.455 443 G N -1.150 107.619 108.800 -0.051 0.000 2.171 443 G HA2 -0.182 3.778 3.960 0.000 0.000 0.238 443 G HA3 -0.182 3.778 3.960 0.000 0.000 0.238 443 G C -0.060 174.821 174.900 -0.031 0.000 1.039 443 G CA 0.318 45.396 45.100 -0.037 0.000 0.759 443 G HN 0.446 nan 8.290 nan 0.000 0.501 444 L N -0.091 121.112 121.223 -0.034 0.000 2.375 444 L HA 0.484 4.824 4.340 0.000 0.000 0.268 444 L C 0.478 177.334 176.870 -0.023 0.000 1.058 444 L CA -1.074 53.749 54.840 -0.027 0.000 0.803 444 L CB 0.930 42.971 42.059 -0.031 0.000 1.212 444 L HN 0.112 nan 8.230 nan 0.000 0.451 445 D N 1.054 121.444 120.400 -0.017 0.000 2.342 445 D HA 0.118 4.758 4.640 0.000 0.000 0.260 445 D C 0.739 177.030 176.300 -0.016 0.000 1.278 445 D CA 0.117 54.109 54.000 -0.014 0.000 0.910 445 D CB 1.732 42.526 40.800 -0.010 0.000 1.079 445 D HN 0.632 nan 8.370 nan 0.000 0.496 446 A N 5.460 128.269 122.820 -0.018 0.000 1.908 446 A HA -0.196 4.124 4.320 0.000 0.000 0.218 446 A C 2.158 179.733 177.584 -0.016 0.000 1.181 446 A CA 0.863 52.888 52.037 -0.020 0.000 0.627 446 A CB -0.269 18.717 19.000 -0.022 0.000 0.818 446 A HN 0.704 nan 8.150 nan 0.000 0.445 447 I N -0.162 120.400 120.570 -0.013 0.000 2.179 447 I HA -0.213 3.957 4.170 0.000 0.000 0.242 447 I C 2.452 178.565 176.117 -0.007 0.000 1.088 447 I CA 1.868 63.163 61.300 -0.010 0.000 1.357 447 I CB -1.462 36.534 38.000 -0.007 0.000 1.051 447 I HN 0.601 nan 8.210 nan 0.000 0.409 448 E N 1.483 121.680 120.200 -0.006 0.000 2.051 448 E HA -0.229 4.122 4.350 0.000 0.000 0.192 448 E C 2.342 178.941 176.600 -0.002 0.000 0.991 448 E CA 1.799 58.197 56.400 -0.003 0.000 0.799 448 E CB -0.110 29.589 29.700 -0.003 0.000 0.748 448 E HN 0.610 nan 8.360 nan 0.000 0.449 449 I N -1.415 119.152 120.570 -0.005 0.000 2.439 449 I HA -0.163 4.007 4.170 0.000 0.000 0.251 449 I C 2.225 178.339 176.117 -0.006 0.000 1.139 449 I CA 0.874 62.171 61.300 -0.005 0.000 1.438 449 I CB -0.340 37.654 38.000 -0.010 0.000 1.085 449 I HN 0.073 nan 8.210 nan 0.000 0.427 450 L N 0.779 121.996 121.223 -0.010 0.000 2.093 450 L HA -0.110 4.230 4.340 0.000 0.000 0.208 450 L C 2.681 179.548 176.870 -0.005 0.000 1.085 450 L CA 0.809 55.641 54.840 -0.013 0.000 0.755 450 L CB -0.405 41.644 42.059 -0.017 0.000 0.904 450 L HN 0.168 nan 8.230 nan 0.000 0.435 451 V N -0.267 119.647 119.914 -0.001 0.000 2.323 451 V HA -0.231 3.889 4.120 0.000 0.000 0.244 451 V C 2.377 178.478 176.094 0.012 0.000 1.041 451 V CA 1.650 63.953 62.300 0.005 0.000 1.025 451 V CB -0.382 31.444 31.823 0.005 0.000 0.656 451 V HN 0.384 nan 8.190 nan 0.000 0.451 452 K N -0.369 120.038 120.400 0.011 0.000 2.103 452 K HA -0.047 4.273 4.320 0.000 0.000 0.204 452 K C 2.046 178.662 176.600 0.026 0.000 1.052 452 K CA 1.005 57.302 56.287 0.017 0.000 0.945 452 K CB -0.187 32.321 32.500 0.013 0.000 0.722 452 K HN 0.292 nan 8.250 nan 0.000 0.443 453 V N 1.183 121.111 119.914 0.023 0.000 2.323 453 V HA -0.175 3.945 4.120 0.000 0.000 0.244 453 V C 2.356 178.484 176.094 0.057 0.000 1.041 453 V CA 1.460 63.781 62.300 0.035 0.000 1.025 453 V CB -0.394 31.436 31.823 0.012 0.000 0.656 453 V HN 0.270 nan 8.190 nan 0.000 0.451 454 R N 0.093 120.611 120.500 0.030 0.000 2.081 454 R HA -0.164 4.176 4.340 0.000 0.000 0.235 454 R C 2.292 178.640 176.300 0.080 0.000 1.131 454 R CA 1.720 57.843 56.100 0.037 0.000 0.960 454 R CB -0.411 29.894 30.300 0.009 0.000 0.856 454 R HN 0.500 nan 8.270 nan 0.000 0.436 455 A N 0.494 123.347 122.820 0.055 0.000 1.873 455 A HA -0.050 4.270 4.320 0.000 0.000 0.215 455 A C 2.316 179.933 177.584 0.054 0.000 1.186 455 A CA 1.538 53.604 52.037 0.049 0.000 0.616 455 A CB -0.754 18.264 19.000 0.031 0.000 0.823 455 A HN 0.506 nan 8.150 nan 0.000 0.442 456 A N -0.984 121.869 122.820 0.056 0.000 1.933 456 A HA -0.148 4.172 4.320 0.000 0.000 0.218 456 A C 1.984 179.600 177.584 0.053 0.000 1.175 456 A CA 2.072 54.136 52.037 0.046 0.000 0.628 456 A CB -0.848 18.177 19.000 0.042 0.000 0.814 456 A HN 0.806 nan 8.150 nan 0.000 0.444 457 H N -0.114 118.959 119.070 0.005 0.000 2.293 457 H HA 0.049 4.605 4.556 0.000 0.000 0.300 457 H C 2.179 177.511 175.328 0.005 0.000 1.082 457 H CA 2.062 58.113 56.048 0.005 0.000 1.308 457 H CB -0.245 29.519 29.762 0.004 0.000 1.375 457 H HN 0.367 nan 8.280 nan 0.000 0.495 458 A N -0.542 122.334 122.820 0.094 0.000 1.940 458 A HA -0.187 4.133 4.320 0.000 0.000 0.219 458 A C 2.582 180.146 177.584 -0.032 0.000 1.176 458 A CA 2.008 54.072 52.037 0.045 0.000 0.631 458 A CB -1.064 17.989 19.000 0.088 0.000 0.814 458 A HN 0.529 nan 8.150 nan 0.000 0.446 459 S N -0.492 115.193 115.700 -0.024 0.000 2.341 459 S HA -0.087 4.383 4.470 0.000 0.000 0.216 459 S C 1.859 176.428 174.600 -0.051 0.000 1.034 459 S CA 1.061 59.245 58.200 -0.027 0.000 0.964 459 S CB -0.405 62.790 63.200 -0.008 0.000 0.882 459 S HN 0.598 nan 8.310 nan 0.000 0.469 460 N N 1.160 119.825 118.700 -0.058 0.000 2.396 460 N HA 0.215 4.955 4.740 0.000 0.000 0.180 460 N C 1.074 176.522 175.510 -0.103 0.000 1.028 460 N CA 1.000 54.013 53.050 -0.062 0.000 0.893 460 N CB -0.072 38.392 38.487 -0.038 0.000 0.967 460 N HN 0.623 nan 8.380 nan 0.000 0.440 461 G N 0.363 109.043 108.800 -0.200 0.000 2.396 461 G HA2 -0.227 3.734 3.960 0.000 0.000 0.254 461 G HA3 -0.227 3.734 3.960 0.000 0.000 0.254 461 G C 0.014 174.670 174.900 -0.406 0.000 1.248 461 G CA 0.042 44.981 45.100 -0.268 0.000 1.033 461 G HN 0.253 nan 8.290 nan 0.000 0.502 462 N N -0.479 118.081 118.700 -0.234 0.000 2.414 462 N HA 0.028 4.768 4.740 0.000 0.000 0.177 462 N C 1.503 177.018 175.510 0.008 0.000 1.062 462 N CA 0.754 53.768 53.050 -0.060 0.000 0.890 462 N CB 0.036 38.554 38.487 0.052 0.000 1.070 462 N HN 0.296 nan 8.380 nan 0.000 0.454 463 K N 0.004 120.393 120.400 -0.019 0.000 2.404 463 K HA 0.156 4.476 4.320 0.000 0.000 0.194 463 K C -0.249 176.348 176.600 -0.005 0.000 1.023 463 K CA 0.064 56.349 56.287 -0.003 0.000 1.094 463 K CB 0.033 32.529 32.500 -0.007 0.000 0.841 463 K HN 0.093 nan 8.250 nan 0.000 0.523 464 C N 0.159 119.450 119.300 -0.015 0.000 3.517 464 C HA 0.820 5.280 4.460 0.000 0.000 0.202 464 C C -0.265 174.726 174.990 0.000 0.000 1.370 464 C CA -0.168 58.845 59.018 -0.009 0.000 1.308 464 C CB -1.398 26.328 27.740 -0.024 0.000 1.840 464 C HN 0.450 nan 8.230 nan 0.000 0.525 465 A N 1.295 124.137 122.820 0.037 0.000 5.650 465 A HA 0.955 5.275 4.320 0.000 0.000 0.194 465 A C 0.425 178.058 177.584 0.080 0.000 0.895 465 A CA 0.472 52.554 52.037 0.075 0.000 0.804 465 A CB -0.379 18.712 19.000 0.151 0.000 2.103 465 A HN 2.342 nan 8.150 nan 0.000 1.022 466 G N -1.866 106.996 108.800 0.104 0.000 2.846 466 G HA2 0.342 4.302 3.960 0.000 0.000 0.660 466 G HA3 0.342 4.302 3.960 0.000 0.000 0.660 466 G C -0.624 174.303 174.900 0.045 0.000 1.464 466 G CA 0.043 45.181 45.100 0.064 0.000 0.891 466 G HN 2.104 nan 8.290 nan 0.000 0.552 467 L N 0.919 122.159 121.223 0.029 0.000 2.289 467 L HA 0.620 4.960 4.340 0.000 0.000 0.285 467 L C 0.522 177.414 176.870 0.037 0.000 1.049 467 L CA -0.770 54.084 54.840 0.023 0.000 0.804 467 L CB 1.402 43.461 42.059 0.001 0.000 1.195 467 L HN 0.731 nan 8.230 nan 0.000 0.428 468 N N 4.065 122.796 118.700 0.051 0.000 2.485 468 N HA 0.125 4.865 4.740 0.000 0.000 0.243 468 N C 0.906 176.451 175.510 0.059 0.000 0.987 468 N CA -0.155 52.951 53.050 0.094 0.000 0.940 468 N CB 1.403 39.960 38.487 0.117 0.000 1.122 468 N HN 0.713 nan 8.380 nan 0.000 0.509 469 V N 2.081 121.989 119.914 -0.010 0.000 2.970 469 V HA -0.041 4.079 4.120 0.000 0.000 0.260 469 V C 1.410 177.400 176.094 -0.173 0.000 1.100 469 V CA 1.013 63.232 62.300 -0.135 0.000 1.122 469 V CB -1.079 30.591 31.823 -0.254 0.000 0.721 469 V HN 0.475 nan 8.190 nan 0.000 0.483 470 F N 2.471 122.420 119.950 -0.002 0.000 2.259 470 F HA -0.021 4.506 4.527 0.000 0.000 0.298 470 F C 2.660 178.459 175.800 -0.001 0.000 1.088 470 F CA 1.779 59.778 58.000 -0.002 0.000 1.358 470 F CB -0.333 38.666 39.000 -0.001 0.000 1.040 470 F HN 0.377 nan 8.300 nan 0.000 0.505 471 T N -4.102 110.554 114.554 0.170 0.000 3.001 471 T HA 0.375 4.725 4.350 0.000 0.000 0.251 471 T C 1.482 176.211 174.700 0.048 0.000 1.040 471 T CA 0.415 62.570 62.100 0.092 0.000 0.985 471 T CB 0.326 69.240 68.868 0.076 0.000 1.011 471 T HN 0.343 nan 8.240 nan 0.000 0.509 472 G N 1.099 109.919 108.800 0.033 0.000 2.248 472 G HA2 0.273 4.233 3.960 0.000 0.000 0.263 472 G HA3 0.273 4.233 3.960 0.000 0.000 0.263 472 G C 0.060 174.966 174.900 0.010 0.000 1.082 472 G CA -0.226 44.877 45.100 0.005 0.000 0.863 472 G HN 1.424 nan 8.290 nan 0.000 0.495 473 A N -1.661 121.170 122.820 0.020 0.000 2.608 473 A HA 0.881 5.201 4.320 0.000 0.000 0.292 473 A C 0.035 177.634 177.584 0.026 0.000 1.066 473 A CA 0.129 52.178 52.037 0.019 0.000 0.676 473 A CB 1.389 20.401 19.000 0.021 0.000 1.277 473 A HN 1.802 nan 8.150 nan 0.000 0.413 474 V N 1.668 121.596 119.914 0.023 0.000 2.673 474 V HA 0.406 4.527 4.120 0.000 0.000 0.303 474 V C 0.020 176.134 176.094 0.032 0.000 1.046 474 V CA 1.025 63.342 62.300 0.029 0.000 1.126 474 V CB 0.443 32.283 31.823 0.029 0.000 0.934 474 V HN 0.914 nan 8.190 nan 0.000 0.487 475 E N 3.827 124.050 120.200 0.038 0.000 2.359 475 E HA 0.373 4.723 4.350 0.000 0.000 0.223 475 E C -1.476 175.145 176.600 0.035 0.000 0.877 475 E CA -0.654 55.767 56.400 0.035 0.000 0.887 475 E CB 0.828 30.553 29.700 0.041 0.000 1.890 475 E HN 0.707 nan 8.360 nan 0.000 0.419 476 D N 1.234 121.652 120.400 0.029 0.000 2.472 476 D HA 0.193 4.833 4.640 0.000 0.000 0.234 476 D C 0.832 177.149 176.300 0.028 0.000 1.088 476 D CA -0.274 53.742 54.000 0.025 0.000 0.882 476 D CB 0.580 41.389 40.800 0.015 0.000 1.037 476 D HN 0.186 nan 8.370 nan 0.000 0.520 477 M N 1.748 121.370 119.600 0.037 0.000 2.117 477 M HA -0.142 4.338 4.480 0.000 0.000 0.262 477 M C 2.310 178.626 176.300 0.027 0.000 1.065 477 M CA 0.818 56.141 55.300 0.039 0.000 1.114 477 M CB -1.157 31.471 32.600 0.047 0.000 1.361 477 M HN 0.549 nan 8.290 nan 0.000 0.408 478 C N 0.602 119.916 119.300 0.023 0.000 2.432 478 C HA -0.184 4.276 4.460 0.000 0.000 0.277 478 C C 2.732 177.726 174.990 0.008 0.000 1.249 478 C CA 1.620 60.647 59.018 0.015 0.000 1.725 478 C CB -0.871 26.877 27.740 0.013 0.000 2.028 478 C HN 0.600 nan 8.230 nan 0.000 0.477 479 E N 1.121 121.325 120.200 0.007 0.000 2.110 479 E HA -0.139 4.211 4.350 0.000 0.000 0.193 479 E C 1.608 178.207 176.600 -0.002 0.000 0.988 479 E CA 1.567 57.968 56.400 0.001 0.000 0.804 479 E CB -0.420 29.281 29.700 0.002 0.000 0.745 479 E HN 0.624 nan 8.360 nan 0.000 0.458 480 N N -0.335 118.365 118.700 0.000 0.000 2.461 480 N HA 0.055 4.795 4.740 0.000 0.000 0.188 480 N C 0.622 176.123 175.510 -0.015 0.000 1.134 480 N CA 0.944 53.988 53.050 -0.009 0.000 0.878 480 N CB 0.554 39.040 38.487 -0.002 0.000 0.972 480 N HN 0.319 nan 8.380 nan 0.000 0.456 481 G N -0.083 108.714 108.800 -0.006 0.000 2.153 481 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 481 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 481 G C -0.050 174.850 174.900 0.001 0.000 0.994 481 G CA 0.183 45.279 45.100 -0.006 0.000 0.698 481 G HN 0.207 nan 8.290 nan 0.000 0.521 482 V N 1.463 121.385 119.914 0.013 0.000 2.222 482 V HA 0.487 4.607 4.120 0.000 0.000 0.253 482 V C 0.787 176.897 176.094 0.028 0.000 1.210 482 V CA 0.119 62.437 62.300 0.030 0.000 1.079 482 V CB 0.463 32.317 31.823 0.052 0.000 1.265 482 V HN 1.046 nan 8.190 nan 0.000 0.494 483 V N 1.564 121.491 119.914 0.021 0.000 2.876 483 V HA 0.900 5.020 4.120 0.000 0.000 0.312 483 V C -0.632 175.472 176.094 0.017 0.000 1.085 483 V CA -0.711 61.600 62.300 0.019 0.000 0.945 483 V CB 2.490 34.322 31.823 0.014 0.000 1.017 483 V HN 0.657 nan 8.190 nan 0.000 0.428 484 E N 2.364 122.573 120.200 0.015 0.000 2.336 484 E HA 0.654 5.004 4.350 0.000 0.000 0.267 484 E C -3.234 173.372 176.600 0.010 0.000 0.906 484 E CA -2.432 53.975 56.400 0.012 0.000 0.781 484 E CB 2.090 31.798 29.700 0.012 0.000 1.261 484 E HN 0.464 nan 8.360 nan 0.000 0.436 485 P HA -0.026 nan 4.420 nan 0.000 0.266 485 P C 0.892 178.196 177.300 0.006 0.000 1.195 485 P CA -0.304 62.800 63.100 0.006 0.000 0.768 485 P CB 0.444 32.147 31.700 0.005 0.000 0.838 486 L N 4.028 125.254 121.223 0.006 0.000 2.079 486 L HA -0.206 4.135 4.340 0.000 0.000 0.210 486 L C 2.088 178.960 176.870 0.004 0.000 1.081 486 L CA 1.947 56.791 54.840 0.006 0.000 0.752 486 L CB -0.617 41.445 42.059 0.005 0.000 0.896 486 L HN 0.242 nan 8.230 nan 0.000 0.433 487 R N -0.531 119.971 120.500 0.004 0.000 2.117 487 R HA -0.130 4.210 4.340 0.000 0.000 0.243 487 R C 2.231 178.533 176.300 0.003 0.000 1.143 487 R CA 1.559 57.661 56.100 0.004 0.000 0.968 487 R CB -1.366 28.936 30.300 0.003 0.000 0.863 487 R HN 0.389 nan 8.270 nan 0.000 0.444 488 V N 1.654 121.569 119.914 0.003 0.000 2.287 488 V HA -0.239 3.881 4.120 0.000 0.000 0.248 488 V C 2.393 178.487 176.094 -0.001 0.000 1.053 488 V CA 1.755 64.055 62.300 0.001 0.000 1.027 488 V CB -0.300 31.524 31.823 0.002 0.000 0.646 488 V HN 0.212 nan 8.190 nan 0.000 0.447 489 K N -0.715 119.685 120.400 -0.000 0.000 2.137 489 K HA -0.038 4.282 4.320 0.000 0.000 0.202 489 K C 2.291 178.892 176.600 0.001 0.000 1.052 489 K CA 1.501 57.786 56.287 -0.002 0.000 0.961 489 K CB -0.665 31.834 32.500 -0.002 0.000 0.741 489 K HN 0.458 nan 8.250 nan 0.000 0.452 490 T N 0.714 115.271 114.554 0.004 0.000 2.942 490 T HA -0.119 4.231 4.350 0.000 0.000 0.265 490 T C 1.824 176.529 174.700 0.009 0.000 1.062 490 T CA 1.207 63.311 62.100 0.007 0.000 1.139 490 T CB 0.174 69.045 68.868 0.006 0.000 0.883 490 T HN 0.071 nan 8.240 nan 0.000 0.468 491 Q N 0.636 120.440 119.800 0.007 0.000 2.137 491 Q HA 0.317 4.657 4.340 0.000 0.000 0.198 491 Q C 2.209 178.214 176.000 0.008 0.000 0.960 491 Q CA 1.532 57.339 55.803 0.007 0.000 0.847 491 Q CB -0.686 28.055 28.738 0.005 0.000 0.915 491 Q HN 0.515 nan 8.270 nan 0.000 0.448 492 A N 0.747 123.569 122.820 0.003 0.000 1.865 492 A HA -0.160 4.160 4.320 0.000 0.000 0.217 492 A C 1.931 179.518 177.584 0.004 0.000 1.191 492 A CA 1.626 53.661 52.037 -0.002 0.000 0.623 492 A CB -0.760 18.233 19.000 -0.011 0.000 0.826 492 A HN 0.450 nan 8.150 nan 0.000 0.444 493 I N -0.242 120.335 120.570 0.011 0.000 2.315 493 I HA -0.190 3.980 4.170 0.000 0.000 0.248 493 I C 2.658 178.807 176.117 0.053 0.000 1.117 493 I CA 1.197 62.519 61.300 0.037 0.000 1.404 493 I CB -1.356 36.673 38.000 0.048 0.000 1.071 493 I HN 0.396 nan 8.210 nan 0.000 0.419 494 Q N 0.537 120.358 119.800 0.035 0.000 1.965 494 Q HA -0.115 4.225 4.340 0.000 0.000 0.200 494 Q C 2.485 178.507 176.000 0.037 0.000 0.981 494 Q CA 1.764 57.588 55.803 0.033 0.000 0.834 494 Q CB -0.426 28.325 28.738 0.021 0.000 0.900 494 Q HN 0.372 nan 8.270 nan 0.000 0.426 495 S N 0.986 116.702 115.700 0.027 0.000 2.368 495 S HA -0.117 4.353 4.470 0.000 0.000 0.225 495 S C 1.951 176.571 174.600 0.033 0.000 1.030 495 S CA 1.050 59.266 58.200 0.026 0.000 0.999 495 S CB -0.235 62.975 63.200 0.017 0.000 0.844 495 S HN 0.492 nan 8.310 nan 0.000 0.459 496 A N 1.565 124.404 122.820 0.031 0.000 1.873 496 A HA 0.136 4.456 4.320 0.000 0.000 0.215 496 A C 2.362 179.986 177.584 0.066 0.000 1.186 496 A CA 1.678 53.734 52.037 0.032 0.000 0.616 496 A CB -1.117 17.886 19.000 0.006 0.000 0.823 496 A HN 0.509 nan 8.150 nan 0.000 0.442 497 A N -0.618 122.259 122.820 0.096 0.000 1.902 497 A HA -0.130 4.190 4.320 0.000 0.000 0.217 497 A C 1.991 179.657 177.584 0.136 0.000 1.181 497 A CA 1.706 53.841 52.037 0.163 0.000 0.623 497 A CB -0.375 18.737 19.000 0.186 0.000 0.818 497 A HN 0.449 nan 8.150 nan 0.000 0.443 498 E N -0.502 119.752 120.200 0.089 0.000 2.072 498 E HA -0.088 4.262 4.350 0.000 0.000 0.190 498 E C 2.310 178.949 176.600 0.065 0.000 0.982 498 E CA 1.234 57.676 56.400 0.070 0.000 0.803 498 E CB -0.488 29.240 29.700 0.047 0.000 0.755 498 E HN 0.519 nan 8.360 nan 0.000 0.453 499 S N -0.114 115.621 115.700 0.058 0.000 2.387 499 S HA -0.083 4.387 4.470 0.000 0.000 0.226 499 S C 1.998 176.633 174.600 0.059 0.000 1.026 499 S CA 1.431 59.660 58.200 0.048 0.000 0.972 499 S CB -0.106 63.115 63.200 0.036 0.000 0.814 499 S HN 0.194 nan 8.310 nan 0.000 0.477 500 T N 1.506 116.109 114.554 0.082 0.000 2.708 500 T HA -0.094 4.256 4.350 0.000 0.000 0.266 500 T C 1.750 176.533 174.700 0.137 0.000 1.037 500 T CA 1.581 63.747 62.100 0.111 0.000 1.146 500 T CB -0.372 68.581 68.868 0.140 0.000 0.865 500 T HN 0.578 nan 8.240 nan 0.000 0.435 501 E N 0.520 120.815 120.200 0.159 0.000 2.106 501 E HA -0.113 4.237 4.350 0.000 0.000 0.192 501 E C 2.215 178.854 176.600 0.064 0.000 0.984 501 E CA 0.783 57.261 56.400 0.131 0.000 0.806 501 E CB -0.184 29.600 29.700 0.138 0.000 0.750 501 E HN 0.471 nan 8.360 nan 0.000 0.458 502 M N 0.191 119.825 119.600 0.057 0.000 2.086 502 M HA -0.196 4.284 4.480 0.000 0.000 0.261 502 M C 1.791 178.106 176.300 0.025 0.000 1.067 502 M CA 1.236 56.557 55.300 0.035 0.000 1.116 502 M CB -0.005 32.615 32.600 0.033 0.000 1.348 502 M HN 0.186 nan 8.290 nan 0.000 0.407 503 L N 0.792 122.032 121.223 0.029 0.000 2.042 503 L HA -0.173 4.167 4.340 0.000 0.000 0.210 503 L C 2.239 179.113 176.870 0.006 0.000 1.076 503 L CA 1.749 56.598 54.840 0.016 0.000 0.749 503 L CB -1.071 41.001 42.059 0.020 0.000 0.893 503 L HN 0.401 nan 8.230 nan 0.000 0.432 504 L N -1.467 119.764 121.223 0.013 0.000 2.201 504 L HA -0.153 4.187 4.340 0.000 0.000 0.212 504 L C 2.480 179.336 176.870 -0.023 0.000 1.105 504 L CA 0.743 55.575 54.840 -0.014 0.000 0.775 504 L CB -0.387 41.654 42.059 -0.030 0.000 0.913 504 L HN 0.214 nan 8.230 nan 0.000 0.440 505 R N -0.076 120.420 120.500 -0.006 0.000 2.193 505 R HA 0.102 4.442 4.340 0.000 0.000 0.213 505 R C 0.536 176.834 176.300 -0.003 0.000 1.055 505 R CA 0.315 56.413 56.100 -0.003 0.000 0.995 505 R CB -0.040 30.264 30.300 0.008 0.000 0.893 505 R HN 0.254 nan 8.270 nan 0.000 0.459 506 I N 2.580 123.148 120.570 -0.003 0.000 2.471 506 I HA -0.047 4.123 4.170 0.000 0.000 0.286 506 I C 0.409 176.520 176.117 -0.009 0.000 1.079 506 I CA 0.050 61.349 61.300 -0.003 0.000 1.398 506 I CB 0.990 38.989 38.000 -0.003 0.000 1.403 506 I HN 0.135 nan 8.210 nan 0.000 0.530 507 D N 2.998 123.396 120.400 -0.003 0.000 2.503 507 D HA 0.127 4.768 4.640 0.000 0.000 0.218 507 D C -0.286 176.020 176.300 0.011 0.000 1.183 507 D CA -0.040 53.957 54.000 -0.005 0.000 0.827 507 D CB 0.387 41.180 40.800 -0.012 0.000 1.034 507 D HN 0.355 nan 8.370 nan 0.000 0.510 508 D N 0.058 120.471 120.400 0.022 0.000 2.688 508 D HA 0.248 4.888 4.640 0.000 0.000 0.210 508 D C -1.711 174.619 176.300 0.051 0.000 1.333 508 D CA -0.471 53.552 54.000 0.038 0.000 0.920 508 D CB 1.931 42.746 40.800 0.025 0.000 1.554 508 D HN -0.170 nan 8.370 nan 0.000 0.579 509 V N 4.267 124.239 119.914 0.096 0.000 2.444 509 V HA 0.556 4.676 4.120 0.000 0.000 0.294 509 V C -0.122 176.058 176.094 0.143 0.000 1.022 509 V CA -0.668 61.703 62.300 0.118 0.000 0.850 509 V CB 1.479 33.380 31.823 0.130 0.000 0.992 509 V HN 0.431 nan 8.190 nan 0.000 0.426 510 I N 4.575 125.198 120.570 0.089 0.000 2.390 510 I HA 0.772 4.942 4.170 0.000 0.000 0.283 510 I C 0.292 176.448 176.117 0.066 0.000 1.016 510 I CA -0.054 61.282 61.300 0.060 0.000 1.151 510 I CB 1.632 39.650 38.000 0.031 0.000 1.293 510 I HN 0.684 nan 8.210 nan 0.000 0.458 511 A N 4.344 127.211 122.820 0.079 0.000 2.401 511 A HA 0.949 5.269 4.320 0.000 0.000 0.310 511 A C -0.063 177.552 177.584 0.052 0.000 1.075 511 A CA -0.684 51.402 52.037 0.082 0.000 0.746 511 A CB 1.245 20.328 19.000 0.138 0.000 1.277 511 A HN 0.748 nan 8.150 nan 0.000 0.425 512 A N 0.742 123.589 122.820 0.044 0.000 2.448 512 A HA 0.428 4.749 4.320 0.000 0.000 0.239 512 A C 0.844 178.447 177.584 0.032 0.000 1.080 512 A CA 0.012 52.067 52.037 0.029 0.000 0.779 512 A CB -0.016 19.000 19.000 0.026 0.000 1.026 512 A HN 0.923 nan 8.150 nan 0.000 0.499 513 E N 0.000 120.211 120.200 0.019 0.000 2.725 513 E HA 0.000 4.350 4.350 0.000 0.000 0.291 513 E CA 0.000 56.411 56.400 0.018 0.000 0.976 513 E CB 0.000 29.705 29.700 0.008 0.000 0.812 513 E HN 0.000 nan 8.360 nan 0.000 0.440