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 1b32_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADVPAGVQLA DKQTLVRNNG SEVQSLDPHK IEGVPESNVS RDLFEGLLIS DATA SEQUENCE DVEGHPSPGV AEKWENKDFK VWTFHLRENA KWSDGTPVTA HDFVYSWQRL DATA SEQUENCE ADPNTASPYA SYLQYGHIAN IDDIIAGKKP ATDLGVKALD DHTFEVTLSE DATA SEQUENCE PVPYFYKLLV HPSVSPVPKS AVEKFGDKWT QPANIVTNGA YKLKNWVVNE DATA SEQUENCE RIVLERNPQY WDNAKTVINQ VTYLPISSEV TDVNRYRSGE IDMTYNNMPI DATA SEQUENCE ELFQKLKKEI PNEVRVDPYL cTYYYEINNQ KAPFNDVRVR TALKLALDRD DATA SEQUENCE IIVNKVKNQG DLPAYSYTPP YTDGAKLVEP EWFKWSQQKR NEEAKKLLAE DATA SEQUENCE AGFTADKPLT FDLLYNTSDL HKKLAIAVAS IWKKNLGVNV NLENQEWKTF DATA SEQUENCE LDTRHQGTFD VARAGWcADY NEPTSFLNTM LSDSSNNTAH YKSPAFDKLI DATA SEQUENCE ADTLKVADDT QRSELYAKAE QQLDKDSAIV PVYYYVNARL VKPWVGGYTG DATA SEQUENCE KDPLDNIYVK NLYIIKH 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.622 177.584 0.064 0.000 1.274 1 A CA 0.000 52.117 52.037 0.134 0.000 0.836 1 A CB 0.000 19.125 19.000 0.209 0.000 0.831 2 D N 1.932 122.375 120.400 0.072 0.000 2.477 2 D HA 0.412 5.091 4.640 0.065 0.000 0.239 2 D C -0.303 175.943 176.300 -0.090 0.000 1.102 2 D CA 0.048 54.051 54.000 0.005 0.000 0.901 2 D CB 1.548 42.373 40.800 0.042 0.000 1.026 2 D HN 0.283 nan 8.370 nan 0.000 0.515 3 V N 3.915 123.685 119.914 -0.240 0.000 2.470 3 V HA 0.146 4.306 4.120 0.065 0.000 0.276 3 V C -1.692 174.259 176.094 -0.237 0.000 1.040 3 V CA -1.194 60.812 62.300 -0.491 0.000 1.008 3 V CB 0.283 31.791 31.823 -0.525 0.000 0.990 3 V HN 0.302 nan 8.190 nan 0.000 0.477 4 P HA 0.170 nan 4.420 nan 0.000 0.266 4 P C -0.021 177.248 177.300 -0.052 0.000 1.195 4 P CA 0.012 63.081 63.100 -0.051 0.000 0.768 4 P CB 0.400 32.111 31.700 0.017 0.000 0.838 5 A N 2.827 125.632 122.820 -0.026 0.000 2.565 5 A HA 0.377 4.736 4.320 0.065 0.000 0.237 5 A C 1.627 179.206 177.584 -0.008 0.000 1.053 5 A CA 0.763 52.789 52.037 -0.019 0.000 0.755 5 A CB -1.204 17.792 19.000 -0.006 0.000 0.980 5 A HN 0.949 nan 8.150 nan 0.000 0.506 6 G N 0.362 109.157 108.800 -0.008 0.000 2.205 6 G HA2 -0.101 3.899 3.960 0.065 0.000 0.261 6 G HA3 -0.101 3.899 3.960 0.065 0.000 0.261 6 G C 0.672 175.580 174.900 0.014 0.000 0.980 6 G CA 0.734 45.837 45.100 0.005 0.000 0.632 6 G HN 2.401 nan 8.290 nan 0.000 0.533 7 V N -0.367 119.551 119.914 0.006 0.000 2.649 7 V HA 0.663 4.822 4.120 0.065 0.000 0.292 7 V C 0.281 176.392 176.094 0.028 0.000 1.055 7 V CA -0.408 61.915 62.300 0.038 0.000 1.023 7 V CB 1.533 33.401 31.823 0.075 0.000 0.992 7 V HN 0.353 nan 8.190 nan 0.000 0.480 8 Q N 4.593 124.426 119.800 0.055 0.000 2.296 8 Q HA 0.489 4.868 4.340 0.065 0.000 0.257 8 Q C -0.802 175.241 176.000 0.071 0.000 0.942 8 Q CA -0.379 55.451 55.803 0.045 0.000 0.939 8 Q CB 1.700 30.462 28.738 0.041 0.000 1.198 8 Q HN 0.781 nan 8.270 nan 0.000 0.429 9 L N 1.785 123.038 121.223 0.051 0.000 2.375 9 L HA 0.417 4.796 4.340 0.065 0.000 0.271 9 L C 0.443 177.349 176.870 0.060 0.000 1.107 9 L CA -0.587 54.302 54.840 0.083 0.000 0.806 9 L CB 0.943 43.038 42.059 0.060 0.000 1.146 9 L HN 0.622 nan 8.230 nan 0.000 0.447 10 A N 1.516 124.383 122.820 0.078 0.000 2.466 10 A HA 0.036 4.395 4.320 0.065 0.000 0.238 10 A C 0.679 178.264 177.584 0.001 0.000 1.074 10 A CA -0.292 51.753 52.037 0.014 0.000 0.774 10 A CB 0.171 19.178 19.000 0.011 0.000 1.015 10 A HN 0.858 nan 8.150 nan 0.000 0.498 11 D N 0.139 120.518 120.400 -0.036 0.000 2.097 11 D HA -0.066 4.614 4.640 0.065 0.000 0.195 11 D C 0.699 176.989 176.300 -0.016 0.000 0.989 11 D CA 1.563 55.546 54.000 -0.028 0.000 0.827 11 D CB 0.073 40.845 40.800 -0.047 0.000 0.966 11 D HN 0.569 nan 8.370 nan 0.000 0.456 12 K N 1.172 121.555 120.400 -0.030 0.000 2.262 12 K HA 0.115 4.475 4.320 0.065 0.000 0.282 12 K C -0.564 176.045 176.600 0.015 0.000 1.066 12 K CA -0.276 56.002 56.287 -0.015 0.000 0.901 12 K CB 0.612 33.090 32.500 -0.037 0.000 1.089 12 K HN -0.143 nan 8.250 nan 0.000 0.476 13 Q N 3.307 123.129 119.800 0.036 0.000 2.771 13 Q HA 0.115 4.494 4.340 0.065 0.000 0.239 13 Q C -0.642 175.393 176.000 0.060 0.000 1.231 13 Q CA -0.149 55.694 55.803 0.067 0.000 1.056 13 Q CB 1.071 29.859 28.738 0.084 0.000 1.284 13 Q HN 0.729 nan 8.270 nan 0.000 0.558 14 T N -1.501 113.079 114.554 0.044 0.000 2.907 14 T HA 0.777 5.166 4.350 0.065 0.000 0.292 14 T C -0.702 174.006 174.700 0.014 0.000 1.043 14 T CA -0.879 61.233 62.100 0.020 0.000 1.003 14 T CB 1.886 70.757 68.868 0.005 0.000 1.084 14 T HN 0.233 nan 8.240 nan 0.000 0.483 15 L N 1.779 122.979 121.223 -0.039 0.000 2.422 15 L HA 0.818 5.197 4.340 0.065 0.000 0.264 15 L C -1.578 175.208 176.870 -0.140 0.000 0.984 15 L CA -0.703 54.093 54.840 -0.075 0.000 0.819 15 L CB 2.384 44.371 42.059 -0.120 0.000 1.330 15 L HN 0.720 nan 8.230 nan 0.000 0.410 16 V N 4.909 124.747 119.914 -0.126 0.000 2.443 16 V HA 0.618 4.777 4.120 0.065 0.000 0.293 16 V C -0.330 175.649 176.094 -0.190 0.000 1.021 16 V CA -0.553 61.654 62.300 -0.156 0.000 0.848 16 V CB 1.649 33.426 31.823 -0.076 0.000 0.998 16 V HN 0.713 nan 8.190 nan 0.000 0.424 17 R N 2.842 123.154 120.500 -0.313 0.000 2.637 17 R HA 0.476 4.855 4.340 0.065 0.000 0.291 17 R C -0.613 175.596 176.300 -0.151 0.000 0.963 17 R CA -0.867 55.068 56.100 -0.275 0.000 0.901 17 R CB 1.943 31.949 30.300 -0.489 0.000 1.160 17 R HN 0.679 nan 8.270 nan 0.000 0.457 18 N N 0.613 119.288 118.700 -0.042 0.000 2.524 18 N HA 0.045 4.825 4.740 0.065 0.000 0.283 18 N C -0.143 175.404 175.510 0.063 0.000 1.142 18 N CA -0.078 52.975 53.050 0.004 0.000 0.984 18 N CB 0.906 39.408 38.487 0.026 0.000 1.155 18 N HN 0.475 nan 8.380 nan 0.000 0.467 19 N N 1.127 119.804 118.700 -0.038 0.000 2.238 19 N HA 0.226 5.005 4.740 0.065 0.000 0.235 19 N C 0.715 175.792 175.510 -0.721 0.000 1.209 19 N CA 0.548 53.512 53.050 -0.144 0.000 0.879 19 N CB 0.152 38.643 38.487 0.007 0.000 1.136 19 N HN 0.761 nan 8.380 nan 0.000 0.517 20 G N -0.132 108.159 108.800 -0.848 0.000 2.435 20 G HA2 -0.314 3.685 3.960 0.065 0.000 0.245 20 G HA3 -0.314 3.685 3.960 0.065 0.000 0.245 20 G C 0.128 174.654 174.900 -0.624 0.000 1.073 20 G CA 0.904 45.355 45.100 -1.080 0.000 0.638 20 G HN 1.085 nan 8.290 nan 0.000 0.521 21 S N -1.283 114.115 115.700 -0.503 0.000 2.636 21 S HA 0.546 5.055 4.470 0.065 0.000 0.266 21 S C -0.986 173.529 174.600 -0.142 0.000 1.147 21 S CA 0.168 58.197 58.200 -0.285 0.000 0.815 21 S CB 1.984 64.980 63.200 -0.341 0.000 1.119 21 S HN 1.163 nan 8.310 nan 0.000 0.470 22 E N 1.358 121.562 120.200 0.007 0.000 2.344 22 E HA 0.423 4.812 4.350 0.065 0.000 0.270 22 E C 0.352 177.042 176.600 0.149 0.000 1.021 22 E CA -0.496 55.959 56.400 0.092 0.000 0.887 22 E CB 0.782 30.565 29.700 0.139 0.000 0.997 22 E HN 0.952 nan 8.360 nan 0.000 0.429 23 V N 2.563 122.543 119.914 0.110 0.000 3.096 23 V HA 0.007 4.166 4.120 0.065 0.000 0.306 23 V C 1.117 177.338 176.094 0.213 0.000 1.088 23 V CA -0.022 62.351 62.300 0.120 0.000 1.129 23 V CB 0.923 32.706 31.823 -0.067 0.000 1.014 23 V HN 0.882 nan 8.190 nan 0.000 0.486 24 Q N 1.355 121.278 119.800 0.205 0.000 2.084 24 Q HA 0.053 4.432 4.340 0.065 0.000 0.202 24 Q C 1.079 177.170 176.000 0.151 0.000 0.978 24 Q CA 1.813 57.706 55.803 0.149 0.000 0.844 24 Q CB 0.129 28.921 28.738 0.090 0.000 0.898 24 Q HN 0.970 nan 8.270 nan 0.000 0.426 25 S N -2.501 113.264 115.700 0.108 0.000 2.615 25 S HA 0.308 4.817 4.470 0.065 0.000 0.268 25 S C -0.922 173.627 174.600 -0.085 0.000 1.146 25 S CA -0.771 57.486 58.200 0.095 0.000 0.818 25 S CB 0.316 63.554 63.200 0.064 0.000 1.111 25 S HN 0.180 nan 8.310 nan 0.000 0.465 26 L N 1.291 122.411 121.223 -0.172 0.000 2.693 26 L HA 0.378 4.757 4.340 0.065 0.000 0.235 26 L C 0.143 176.901 176.870 -0.186 0.000 1.127 26 L CA -0.049 54.637 54.840 -0.256 0.000 0.914 26 L CB 0.227 42.040 42.059 -0.411 0.000 1.193 26 L HN 0.569 nan 8.230 nan 0.000 0.502 27 D N 1.442 121.739 120.400 -0.172 0.000 2.325 27 D HA 0.113 4.792 4.640 0.065 0.000 0.251 27 D C -1.699 174.546 176.300 -0.093 0.000 1.196 27 D CA -1.952 52.000 54.000 -0.080 0.000 0.866 27 D CB 1.953 42.819 40.800 0.110 0.000 1.101 27 D HN -0.130 nan 8.370 nan 0.000 0.476 28 P HA -0.118 nan 4.420 nan 0.000 0.218 28 P C 0.347 177.589 177.300 -0.097 0.000 1.146 28 P CA 1.308 64.249 63.100 -0.265 0.000 0.813 28 P CB 0.050 31.468 31.700 -0.469 0.000 0.778 29 H N -1.716 117.346 119.070 -0.014 0.000 2.539 29 H HA 0.177 4.772 4.556 0.065 0.000 0.269 29 H C 0.966 176.314 175.328 0.034 0.000 0.980 29 H CA 0.039 56.091 56.048 0.006 0.000 1.152 29 H CB 0.321 30.089 29.762 0.010 0.000 1.407 29 H HN -0.036 nan 8.280 nan 0.000 0.564 30 K N 1.050 121.533 120.400 0.138 0.000 2.438 30 K HA 0.209 4.569 4.320 0.065 0.000 0.205 30 K C 0.107 176.751 176.600 0.073 0.000 1.033 30 K CA 0.044 56.389 56.287 0.096 0.000 1.089 30 K CB 0.950 33.505 32.500 0.091 0.000 0.857 30 K HN 0.376 nan 8.250 nan 0.000 0.522 31 I N -1.674 118.947 120.570 0.084 0.000 2.797 31 I HA 0.360 4.569 4.170 0.065 0.000 0.307 31 I C 0.467 176.702 176.117 0.197 0.000 1.033 31 I CA -0.650 60.701 61.300 0.086 0.000 1.071 31 I CB 1.873 39.882 38.000 0.016 0.000 1.255 31 I HN -0.001 nan 8.210 nan 0.000 0.445 32 E N 2.122 122.449 120.200 0.211 0.000 2.703 32 E HA 0.312 4.701 4.350 0.065 0.000 0.214 32 E C 0.217 176.994 176.600 0.294 0.000 0.944 32 E CA -0.408 56.227 56.400 0.390 0.000 1.299 32 E CB 0.797 30.667 29.700 0.283 0.000 1.189 32 E HN 0.835 nan 8.360 nan 0.000 0.597 33 G N 0.561 109.511 108.800 0.250 0.000 2.597 33 G HA2 0.398 4.397 3.960 0.065 0.000 0.317 33 G HA3 0.398 4.397 3.960 0.065 0.000 0.317 33 G C 0.809 175.818 174.900 0.181 0.000 1.230 33 G CA -0.488 44.825 45.100 0.355 0.000 0.996 33 G HN -0.051 nan 8.290 nan 0.000 0.490 34 V N 1.131 121.139 119.914 0.157 0.000 2.261 34 V HA -0.090 4.069 4.120 0.065 0.000 0.246 34 V C -0.115 175.984 176.094 0.009 0.000 1.047 34 V CA 2.195 64.523 62.300 0.047 0.000 1.015 34 V CB -0.948 30.922 31.823 0.079 0.000 0.642 34 V HN 0.519 nan 8.190 nan 0.000 0.446 35 P HA -0.130 nan 4.420 nan 0.000 0.215 35 P C 1.468 178.676 177.300 -0.152 0.000 1.153 35 P CA 1.290 64.289 63.100 -0.169 0.000 0.853 35 P CB 0.032 31.519 31.700 -0.355 0.000 0.788 36 E N -0.810 119.366 120.200 -0.040 0.000 2.051 36 E HA -0.106 4.283 4.350 0.065 0.000 0.192 36 E C 2.147 178.647 176.600 -0.166 0.000 0.991 36 E CA 1.428 57.777 56.400 -0.084 0.000 0.799 36 E CB -1.025 28.687 29.700 0.020 0.000 0.748 36 E HN 0.129 nan 8.360 nan 0.000 0.449 37 S N 0.774 116.386 115.700 -0.147 0.000 2.402 37 S HA -0.091 4.418 4.470 0.065 0.000 0.229 37 S C 1.582 176.040 174.600 -0.236 0.000 1.021 37 S CA 0.733 58.807 58.200 -0.210 0.000 0.974 37 S CB -0.267 62.803 63.200 -0.217 0.000 0.800 37 S HN 0.242 nan 8.310 nan 0.000 0.484 38 N N 1.500 120.065 118.700 -0.224 0.000 2.069 38 N HA -0.076 4.703 4.740 0.065 0.000 0.191 38 N C 1.720 176.958 175.510 -0.453 0.000 1.031 38 N CA 1.128 54.023 53.050 -0.260 0.000 0.852 38 N CB -0.713 37.672 38.487 -0.170 0.000 1.018 38 N HN 0.228 nan 8.380 nan 0.000 0.423 39 V N 0.212 119.758 119.914 -0.614 0.000 2.379 39 V HA -0.114 4.045 4.120 0.065 0.000 0.245 39 V C 2.453 178.326 176.094 -0.368 0.000 1.044 39 V CA 1.446 63.318 62.300 -0.714 0.000 1.036 39 V CB -0.722 30.677 31.823 -0.708 0.000 0.664 39 V HN 0.295 nan 8.190 nan 0.000 0.453 40 S N -0.351 115.200 115.700 -0.249 0.000 2.387 40 S HA -0.242 4.267 4.470 0.065 0.000 0.230 40 S C 2.178 176.738 174.600 -0.066 0.000 1.035 40 S CA 1.678 59.833 58.200 -0.075 0.000 1.014 40 S CB -0.271 62.878 63.200 -0.085 0.000 0.836 40 S HN 0.538 nan 8.310 nan 0.000 0.466 41 R N 0.403 120.797 120.500 -0.176 0.000 2.120 41 R HA -0.047 4.332 4.340 0.065 0.000 0.234 41 R C 1.579 177.838 176.300 -0.067 0.000 1.123 41 R CA 1.479 57.464 56.100 -0.192 0.000 0.975 41 R CB -0.310 29.641 30.300 -0.582 0.000 0.866 41 R HN 0.419 nan 8.270 nan 0.000 0.446 42 D N 0.217 120.563 120.400 -0.090 0.000 2.234 42 D HA -0.039 4.640 4.640 0.065 0.000 0.205 42 D C 1.801 178.088 176.300 -0.021 0.000 0.962 42 D CA 0.891 54.910 54.000 0.032 0.000 0.855 42 D CB 0.225 41.007 40.800 -0.029 0.000 0.951 42 D HN 0.212 nan 8.370 nan 0.000 0.500 43 L N -1.355 119.771 121.223 -0.162 0.000 2.316 43 L HA 0.146 4.525 4.340 0.065 0.000 0.207 43 L C 0.031 176.555 176.870 -0.577 0.000 1.070 43 L CA 0.357 54.949 54.840 -0.414 0.000 0.820 43 L CB 0.244 41.911 42.059 -0.653 0.000 0.992 43 L HN -0.164 nan 8.230 nan 0.000 0.466 44 F N -0.067 119.897 119.950 0.025 0.000 2.493 44 F HA 0.403 4.969 4.527 0.064 0.000 0.329 44 F C 0.043 175.879 175.800 0.060 0.000 1.126 44 F CA -0.862 57.169 58.000 0.050 0.000 0.937 44 F CB 1.572 40.613 39.000 0.068 0.000 1.146 44 F HN -0.184 nan 8.300 nan 0.000 0.442 45 E N 1.898 122.234 120.200 0.227 0.000 2.176 45 E HA 0.615 5.004 4.350 0.065 0.000 0.267 45 E C -0.089 176.687 176.600 0.293 0.000 0.893 45 E CA -0.540 56.014 56.400 0.256 0.000 0.761 45 E CB 1.494 31.369 29.700 0.291 0.000 1.133 45 E HN 0.822 nan 8.360 nan 0.000 0.409 46 G N 2.920 111.906 108.800 0.311 0.000 2.543 46 G HA2 0.152 4.151 3.960 0.065 0.000 0.267 46 G HA3 0.152 4.151 3.960 0.065 0.000 0.267 46 G C 0.857 175.909 174.900 0.252 0.000 1.406 46 G CA -0.497 44.845 45.100 0.403 0.000 1.048 46 G HN 0.597 nan 8.290 nan 0.000 0.548 47 L N -1.312 119.921 121.223 0.016 0.000 2.017 47 L HA 0.035 4.415 4.340 0.065 0.000 0.208 47 L C 0.545 177.341 176.870 -0.123 0.000 1.073 47 L CA 0.819 55.482 54.840 -0.296 0.000 0.745 47 L CB -0.487 41.156 42.059 -0.693 0.000 0.894 47 L HN 0.109 nan 8.230 nan 0.000 0.432 48 L N -1.317 119.855 121.223 -0.084 0.000 2.301 48 L HA 0.557 4.936 4.340 0.065 0.000 0.264 48 L C -0.308 176.634 176.870 0.119 0.000 1.016 48 L CA -0.510 54.327 54.840 -0.004 0.000 0.821 48 L CB 1.962 43.964 42.059 -0.096 0.000 1.346 48 L HN -0.031 nan 8.230 nan 0.000 0.429 49 I N -3.190 117.474 120.570 0.158 0.000 3.145 49 I HA 0.699 4.908 4.170 0.065 0.000 0.313 49 I C -0.531 175.678 176.117 0.153 0.000 1.122 49 I CA -0.701 60.694 61.300 0.160 0.000 0.987 49 I CB 2.286 40.260 38.000 -0.043 0.000 1.236 49 I HN 0.344 nan 8.210 nan 0.000 0.453 50 S N 1.916 117.747 115.700 0.219 0.000 2.586 50 S HA 0.243 4.752 4.470 0.065 0.000 0.274 50 S C -0.467 174.194 174.600 0.103 0.000 1.281 50 S CA -0.623 57.709 58.200 0.220 0.000 1.035 50 S CB 0.853 64.234 63.200 0.303 0.000 0.962 50 S HN 0.811 nan 8.310 nan 0.000 0.512 51 D N 0.653 121.135 120.400 0.137 0.000 2.398 51 D HA 0.028 4.707 4.640 0.065 0.000 0.264 51 D C 1.578 177.940 176.300 0.103 0.000 1.263 51 D CA -0.583 53.483 54.000 0.109 0.000 1.037 51 D CB -0.322 40.588 40.800 0.183 0.000 1.101 51 D HN 0.271 nan 8.370 nan 0.000 0.551 52 V N -3.156 116.817 119.914 0.099 0.000 3.078 52 V HA -0.038 4.122 4.120 0.065 0.000 0.265 52 V C 1.264 177.369 176.094 0.019 0.000 1.122 52 V CA 1.360 63.712 62.300 0.087 0.000 1.141 52 V CB -1.186 30.690 31.823 0.090 0.000 0.735 52 V HN 0.526 nan 8.190 nan 0.000 0.498 53 E N 0.429 120.610 120.200 -0.032 0.000 2.538 53 E HA 0.405 4.794 4.350 0.065 0.000 0.207 53 E C 1.552 177.975 176.600 -0.295 0.000 1.002 53 E CA 0.425 56.726 56.400 -0.164 0.000 0.952 53 E CB 0.774 30.381 29.700 -0.156 0.000 1.031 53 E HN 0.731 nan 8.360 nan 0.000 0.476 54 G N 1.836 110.544 108.800 -0.154 0.000 2.175 54 G HA2 -0.211 3.788 3.960 0.065 0.000 0.244 54 G HA3 -0.211 3.788 3.960 0.065 0.000 0.244 54 G C 0.001 174.881 174.900 -0.033 0.000 0.982 54 G CA -0.302 44.757 45.100 -0.070 0.000 0.641 54 G HN 0.328 nan 8.290 nan 0.000 0.527 55 H N 1.251 120.412 119.070 0.152 0.000 2.683 55 H HA 0.321 4.897 4.556 0.034 0.000 0.339 55 H C -2.253 173.206 175.328 0.219 0.000 1.081 55 H CA -1.529 54.628 56.048 0.183 0.000 1.432 55 H CB 0.637 30.503 29.762 0.174 0.000 1.462 55 H HN 0.125 nan 8.280 nan 0.000 0.557 56 P HA -0.030 nan 4.420 nan 0.000 0.264 56 P C -0.332 177.215 177.300 0.412 0.000 1.193 56 P CA 0.419 63.742 63.100 0.371 0.000 0.763 56 P CB 0.666 32.650 31.700 0.473 0.000 0.810 57 S N 2.595 118.511 115.700 0.359 0.000 2.625 57 S HA 0.682 5.192 4.470 0.065 0.000 0.271 57 S C -3.184 171.670 174.600 0.423 0.000 1.161 57 S CA -2.262 56.179 58.200 0.402 0.000 0.820 57 S CB 0.972 64.345 63.200 0.289 0.000 1.137 57 S HN 0.032 nan 8.310 nan 0.000 0.470 58 P HA 0.292 nan 4.420 nan 0.000 0.264 58 P C 0.310 177.809 177.300 0.332 0.000 1.193 58 P CA 0.423 63.802 63.100 0.466 0.000 0.763 58 P CB 0.405 32.305 31.700 0.334 0.000 0.810 59 G N 1.508 110.465 108.800 0.262 0.000 3.306 59 G HA2 0.119 4.118 3.960 0.065 0.000 0.202 59 G HA3 0.119 4.118 3.960 0.065 0.000 0.202 59 G C 1.031 176.041 174.900 0.185 0.000 1.673 59 G CA -0.252 45.025 45.100 0.294 0.000 0.776 59 G HN 0.259 nan 8.290 nan 0.000 0.740 60 V N 1.904 121.903 119.914 0.140 0.000 2.427 60 V HA 0.139 4.298 4.120 0.065 0.000 0.248 60 V C 1.914 177.961 176.094 -0.079 0.000 1.051 60 V CA 1.407 63.707 62.300 -0.001 0.000 1.048 60 V CB -0.827 31.062 31.823 0.110 0.000 0.666 60 V HN 0.613 nan 8.190 nan 0.000 0.456 61 A N 0.943 123.760 122.820 -0.004 0.000 2.404 61 A HA 0.231 4.590 4.320 0.065 0.000 0.273 61 A C 1.295 179.028 177.584 0.249 0.000 1.144 61 A CA -0.028 52.103 52.037 0.156 0.000 0.806 61 A CB 0.074 19.266 19.000 0.320 0.000 1.080 61 A HN 0.659 nan 8.150 nan 0.000 0.509 62 E N 2.808 123.093 120.200 0.143 0.000 2.250 62 E HA 0.016 4.405 4.350 0.065 0.000 0.192 62 E C 0.231 176.903 176.600 0.120 0.000 0.986 62 E CA 0.581 57.026 56.400 0.075 0.000 0.849 62 E CB -0.009 29.641 29.700 -0.083 0.000 0.797 62 E HN 0.634 nan 8.360 nan 0.000 0.482 63 K N 0.106 120.638 120.400 0.221 0.000 2.556 63 K HA 0.432 4.791 4.320 0.065 0.000 0.274 63 K C -1.731 175.086 176.600 0.361 0.000 0.966 63 K CA -0.858 55.433 56.287 0.007 0.000 0.865 63 K CB 1.341 33.778 32.500 -0.106 0.000 1.444 63 K HN 0.185 nan 8.250 nan 0.000 0.433 64 W N -0.097 121.281 121.300 0.131 0.000 3.146 64 W HA 0.674 5.368 4.660 0.057 0.000 0.319 64 W C -1.361 175.119 176.519 -0.065 0.000 1.258 64 W CA -0.618 56.712 57.345 -0.026 0.000 1.189 64 W CB 1.004 30.370 29.460 -0.157 0.000 1.412 64 W HN 0.583 nan 8.180 nan 0.000 0.567 65 E N 1.176 121.396 120.200 0.034 0.000 2.416 65 E HA 0.511 4.900 4.350 0.065 0.000 0.273 65 E C -1.271 175.171 176.600 -0.263 0.000 0.935 65 E CA -1.170 55.172 56.400 -0.096 0.000 0.784 65 E CB 2.070 31.707 29.700 -0.105 0.000 1.301 65 E HN 0.524 nan 8.360 nan 0.000 0.454 66 N N -0.612 117.810 118.700 -0.463 0.000 2.242 66 N HA 0.545 5.324 4.740 0.065 0.000 0.292 66 N C -1.514 173.632 175.510 -0.608 0.000 1.125 66 N CA -1.072 51.467 53.050 -0.853 0.000 0.783 66 N CB 1.586 39.034 38.487 -1.731 0.000 1.558 66 N HN 0.154 nan 8.380 nan 0.000 0.472 67 K N 1.134 121.206 120.400 -0.547 0.000 2.367 67 K HA 0.331 4.690 4.320 0.065 0.000 0.263 67 K C -0.924 175.432 176.600 -0.406 0.000 1.000 67 K CA -0.257 55.794 56.287 -0.393 0.000 0.891 67 K CB 0.012 32.358 32.500 -0.257 0.000 1.117 67 K HN 0.651 nan 8.250 nan 0.000 0.443 68 D N 4.544 124.657 120.400 -0.478 0.000 2.983 68 D HA -0.246 4.433 4.640 0.065 0.000 0.225 68 D C -0.487 175.622 176.300 -0.318 0.000 1.174 68 D CA 1.280 55.025 54.000 -0.424 0.000 0.831 68 D CB -1.274 39.411 40.800 -0.190 0.000 1.104 68 D HN 0.711 nan 8.370 nan 0.000 0.421 69 F N -2.376 117.450 119.950 -0.207 0.000 3.006 69 F HA -0.326 4.240 4.527 0.065 0.000 0.289 69 F C 1.608 177.490 175.800 0.136 0.000 0.772 69 F CA 1.438 59.413 58.000 -0.043 0.000 1.162 69 F CB -2.129 36.974 39.000 0.173 0.000 1.382 69 F HN 0.224 nan 8.300 nan 0.000 0.406 70 K N -0.992 119.430 120.400 0.037 0.000 2.403 70 K HA 0.396 4.756 4.320 0.065 0.000 0.199 70 K C 0.234 176.860 176.600 0.045 0.000 1.199 70 K CA 0.681 57.020 56.287 0.087 0.000 0.924 70 K CB 1.063 33.575 32.500 0.019 0.000 1.137 70 K HN -0.002 nan 8.250 nan 0.000 0.510 71 V N 1.829 121.653 119.914 -0.149 0.000 2.357 71 V HA 0.258 4.417 4.120 0.065 0.000 0.284 71 V C -1.473 174.472 176.094 -0.247 0.000 1.018 71 V CA -0.709 61.529 62.300 -0.104 0.000 0.841 71 V CB 0.755 32.510 31.823 -0.113 0.000 0.991 71 V HN 0.172 nan 8.190 nan 0.000 0.437 72 W N 2.498 123.743 121.300 -0.092 0.000 2.417 72 W HA 0.626 5.325 4.660 0.064 0.000 0.315 72 W C 0.210 176.541 176.519 -0.313 0.000 1.045 72 W CA -0.425 56.835 57.345 -0.142 0.000 1.221 72 W CB 1.893 31.431 29.460 0.129 0.000 1.309 72 W HN 0.374 nan 8.180 nan 0.000 0.453 73 T N 4.369 118.737 114.554 -0.311 0.000 2.770 73 T HA 0.470 4.859 4.350 0.065 0.000 0.283 73 T C -1.019 173.328 174.700 -0.589 0.000 0.988 73 T CA -0.486 61.401 62.100 -0.356 0.000 0.957 73 T CB 0.239 68.951 68.868 -0.260 0.000 0.930 73 T HN -0.028 nan 8.240 nan 0.000 0.443 74 F N 3.004 122.890 119.950 -0.106 0.000 2.411 74 F HA 0.315 4.880 4.527 0.063 0.000 0.352 74 F C 0.993 176.662 175.800 -0.219 0.000 1.123 74 F CA -0.995 56.984 58.000 -0.035 0.000 1.044 74 F CB 0.946 39.978 39.000 0.053 0.000 1.135 74 F HN 0.502 nan 8.300 nan 0.000 0.461 75 H N 5.508 124.739 119.070 0.268 0.000 2.761 75 H HA 0.297 4.891 4.556 0.064 0.000 0.284 75 H C -0.157 175.249 175.328 0.131 0.000 1.105 75 H CA -0.345 55.797 56.048 0.156 0.000 1.352 75 H CB 0.704 30.513 29.762 0.078 0.000 1.423 75 H HN 0.461 nan 8.280 nan 0.000 0.464 76 L N 4.195 125.527 121.223 0.182 0.000 2.331 76 L HA 0.231 4.610 4.340 0.065 0.000 0.278 76 L C 1.233 178.112 176.870 0.015 0.000 1.106 76 L CA -0.642 54.252 54.840 0.089 0.000 0.824 76 L CB 0.605 42.724 42.059 0.099 0.000 1.142 76 L HN 0.486 nan 8.230 nan 0.000 0.443 77 R N 2.228 122.656 120.500 -0.120 0.000 2.640 77 R HA -0.005 4.374 4.340 0.065 0.000 0.270 77 R C 0.221 176.401 176.300 -0.199 0.000 1.024 77 R CA -0.154 55.811 56.100 -0.225 0.000 1.085 77 R CB 0.615 30.644 30.300 -0.452 0.000 0.963 77 R HN 0.665 nan 8.270 nan 0.000 0.426 78 E N 1.201 121.245 120.200 -0.261 0.000 2.268 78 E HA -0.159 4.231 4.350 0.065 0.000 0.195 78 E C 0.567 177.095 176.600 -0.121 0.000 0.995 78 E CA 1.160 57.364 56.400 -0.327 0.000 0.836 78 E CB 0.044 29.536 29.700 -0.348 0.000 0.763 78 E HN 0.739 nan 8.360 nan 0.000 0.491 79 N N 0.419 119.064 118.700 -0.092 0.000 2.251 79 N HA 0.061 4.840 4.740 0.065 0.000 0.217 79 N C -0.361 175.172 175.510 0.037 0.000 1.124 79 N CA -0.072 52.976 53.050 -0.004 0.000 0.843 79 N CB 0.260 38.757 38.487 0.017 0.000 1.024 79 N HN -0.108 nan 8.380 nan 0.000 0.501 80 A N 0.774 123.584 122.820 -0.016 0.000 2.454 80 A HA 0.414 4.773 4.320 0.065 0.000 0.260 80 A C 0.008 177.633 177.584 0.068 0.000 1.106 80 A CA -0.052 52.005 52.037 0.034 0.000 0.780 80 A CB 0.244 19.220 19.000 -0.041 0.000 1.044 80 A HN 0.359 nan 8.150 nan 0.000 0.498 81 K N 1.397 121.852 120.400 0.092 0.000 2.443 81 K HA 0.431 4.790 4.320 0.065 0.000 0.251 81 K C -1.212 175.414 176.600 0.043 0.000 0.972 81 K CA -0.535 55.809 56.287 0.094 0.000 0.833 81 K CB 1.584 34.176 32.500 0.153 0.000 1.317 81 K HN 0.759 nan 8.250 nan 0.000 0.441 82 W N 0.371 121.761 121.300 0.149 0.000 2.089 82 W HA 0.028 4.729 4.660 0.069 0.000 0.362 82 W C 1.678 178.263 176.519 0.110 0.000 1.362 82 W CA -0.052 57.373 57.345 0.132 0.000 1.460 82 W CB 0.502 30.030 29.460 0.113 0.000 1.204 82 W HN 0.712 nan 8.180 nan 0.000 0.657 83 S N -0.527 115.401 115.700 0.379 0.000 2.515 83 S HA -0.195 4.314 4.470 0.065 0.000 0.231 83 S C 0.862 175.572 174.600 0.183 0.000 0.987 83 S CA 1.217 59.547 58.200 0.217 0.000 0.936 83 S CB -0.475 62.825 63.200 0.166 0.000 0.766 83 S HN 0.595 nan 8.310 nan 0.000 0.528 84 D N 0.086 120.615 120.400 0.215 0.000 2.325 84 D HA 0.289 4.968 4.640 0.065 0.000 0.225 84 D C 1.379 177.768 176.300 0.148 0.000 1.096 84 D CA 0.426 54.515 54.000 0.148 0.000 0.844 84 D CB -0.469 40.400 40.800 0.116 0.000 0.925 84 D HN 0.476 nan 8.370 nan 0.000 0.513 85 G N 0.368 109.275 108.800 0.178 0.000 2.225 85 G HA2 -0.298 3.701 3.960 0.065 0.000 0.254 85 G HA3 -0.298 3.701 3.960 0.065 0.000 0.254 85 G C 0.579 175.589 174.900 0.183 0.000 0.988 85 G CA 0.540 45.734 45.100 0.157 0.000 0.625 85 G HN 0.797 nan 8.290 nan 0.000 0.527 86 T N 0.167 114.858 114.554 0.229 0.000 2.899 86 T HA 0.570 4.959 4.350 0.065 0.000 0.295 86 T C -2.319 172.589 174.700 0.347 0.000 1.033 86 T CA -1.203 61.045 62.100 0.247 0.000 1.084 86 T CB 2.013 70.999 68.868 0.196 0.000 0.979 86 T HN 0.118 nan 8.240 nan 0.000 0.532 87 P HA 0.281 nan 4.420 nan 0.000 0.275 87 P C -0.644 176.849 177.300 0.322 0.000 1.227 87 P CA -0.594 62.661 63.100 0.258 0.000 0.781 87 P CB 0.505 32.340 31.700 0.226 0.000 0.906 88 V N 3.341 123.336 119.914 0.135 0.000 2.488 88 V HA 0.323 4.482 4.120 0.065 0.000 0.277 88 V C 0.901 177.108 176.094 0.188 0.000 1.046 88 V CA 0.239 62.571 62.300 0.053 0.000 0.986 88 V CB 0.483 32.176 31.823 -0.216 0.000 0.989 88 V HN 0.727 nan 8.190 nan 0.000 0.475 89 T N 1.923 116.619 114.554 0.237 0.000 2.883 89 T HA 0.676 5.065 4.350 0.065 0.000 0.284 89 T C 1.061 175.845 174.700 0.141 0.000 1.041 89 T CA -0.077 62.115 62.100 0.154 0.000 1.007 89 T CB 1.966 70.929 68.868 0.158 0.000 1.220 89 T HN 0.587 nan 8.240 nan 0.000 0.552 90 A N -0.255 122.545 122.820 -0.034 0.000 2.067 90 A HA -0.033 4.326 4.320 0.065 0.000 0.219 90 A C 2.071 179.615 177.584 -0.066 0.000 1.158 90 A CA 1.015 53.027 52.037 -0.042 0.000 0.661 90 A CB -1.239 17.739 19.000 -0.036 0.000 0.801 90 A HN 0.936 nan 8.150 nan 0.000 0.452 91 H N 0.425 119.576 119.070 0.135 0.000 2.387 91 H HA -0.103 4.492 4.556 0.066 0.000 0.299 91 H C 1.249 176.649 175.328 0.120 0.000 1.090 91 H CA 1.469 57.591 56.048 0.123 0.000 1.332 91 H CB -0.232 29.578 29.762 0.080 0.000 1.386 91 H HN 0.491 nan 8.280 nan 0.000 0.516 92 D N 0.498 121.016 120.400 0.197 0.000 2.117 92 D HA -0.118 4.562 4.640 0.065 0.000 0.197 92 D C 2.034 178.299 176.300 -0.058 0.000 0.987 92 D CA 0.779 54.854 54.000 0.124 0.000 0.829 92 D CB -0.399 40.514 40.800 0.188 0.000 0.961 92 D HN 0.268 nan 8.370 nan 0.000 0.460 93 F N 0.814 120.629 119.950 -0.225 0.000 2.186 93 F HA -0.135 4.431 4.527 0.064 0.000 0.299 93 F C 2.538 178.083 175.800 -0.426 0.000 1.090 93 F CA 0.400 58.003 58.000 -0.661 0.000 1.307 93 F CB -0.622 37.309 39.000 -1.781 0.000 1.019 93 F HN -0.184 nan 8.300 nan 0.000 0.489 94 V N -0.665 119.291 119.914 0.070 0.000 2.295 94 V HA -0.337 3.822 4.120 0.065 0.000 0.246 94 V C 2.095 178.335 176.094 0.244 0.000 1.049 94 V CA 2.096 64.562 62.300 0.277 0.000 1.024 94 V CB -0.888 31.120 31.823 0.308 0.000 0.648 94 V HN 0.428 nan 8.190 nan 0.000 0.447 95 Y N 1.290 121.659 120.300 0.114 0.000 2.181 95 Y HA -0.235 4.353 4.550 0.065 0.000 0.288 95 Y C 2.682 178.658 175.900 0.127 0.000 1.146 95 Y CA 1.958 60.114 58.100 0.093 0.000 1.164 95 Y CB -0.340 38.146 38.460 0.042 0.000 0.982 95 Y HN 0.224 nan 8.280 nan 0.000 0.515 96 S N -0.359 115.424 115.700 0.138 0.000 2.356 96 S HA -0.191 4.318 4.470 0.065 0.000 0.223 96 S C 1.499 176.263 174.600 0.273 0.000 1.032 96 S CA 1.444 59.752 58.200 0.179 0.000 1.005 96 S CB -0.689 62.654 63.200 0.239 0.000 0.867 96 S HN 0.644 nan 8.310 nan 0.000 0.449 97 W N 2.249 123.577 121.300 0.048 0.000 2.402 97 W HA 0.053 4.751 4.660 0.063 0.000 0.286 97 W C 2.425 178.914 176.519 -0.050 0.000 1.221 97 W CA -0.028 57.350 57.345 0.055 0.000 1.257 97 W CB -1.113 28.482 29.460 0.225 0.000 1.120 97 W HN 0.412 nan 8.180 nan 0.000 0.551 98 Q N -0.192 119.697 119.800 0.148 0.000 2.124 98 Q HA -0.182 4.197 4.340 0.065 0.000 0.202 98 Q C 2.307 178.226 176.000 -0.136 0.000 0.977 98 Q CA 1.617 57.429 55.803 0.016 0.000 0.850 98 Q CB -0.392 28.354 28.738 0.012 0.000 0.901 98 Q HN 0.263 nan 8.270 nan 0.000 0.429 99 R N 0.539 120.861 120.500 -0.297 0.000 2.092 99 R HA -0.155 4.224 4.340 0.065 0.000 0.231 99 R C 2.196 178.234 176.300 -0.436 0.000 1.119 99 R CA 0.901 56.780 56.100 -0.369 0.000 0.970 99 R CB -0.189 29.841 30.300 -0.450 0.000 0.864 99 R HN 0.233 nan 8.270 nan 0.000 0.440 100 L N 0.658 121.494 121.223 -0.646 0.000 2.046 100 L HA -0.040 4.339 4.340 0.065 0.000 0.208 100 L C 2.190 178.902 176.870 -0.263 0.000 1.077 100 L CA 2.193 56.663 54.840 -0.617 0.000 0.747 100 L CB -0.585 41.149 42.059 -0.541 0.000 0.896 100 L HN 0.225 nan 8.230 nan 0.000 0.432 101 A N -1.328 121.398 122.820 -0.157 0.000 1.968 101 A HA -0.130 4.229 4.320 0.065 0.000 0.217 101 A C 1.044 178.584 177.584 -0.073 0.000 1.169 101 A CA 0.755 52.742 52.037 -0.083 0.000 0.638 101 A CB -0.798 18.189 19.000 -0.022 0.000 0.812 101 A HN 0.520 nan 8.150 nan 0.000 0.446 102 D N -0.010 120.337 120.400 -0.087 0.000 2.434 102 D HA 0.124 4.804 4.640 0.065 0.000 0.252 102 D C -1.582 174.686 176.300 -0.053 0.000 1.185 102 D CA -1.852 52.112 54.000 -0.061 0.000 0.886 102 D CB 1.068 41.826 40.800 -0.070 0.000 1.148 102 D HN 0.044 nan 8.370 nan 0.000 0.483 103 P HA -0.120 nan 4.420 nan 0.000 0.219 103 P C 0.802 178.088 177.300 -0.022 0.000 1.146 103 P CA 0.754 63.837 63.100 -0.028 0.000 0.808 103 P CB 0.267 31.956 31.700 -0.018 0.000 0.779 104 N N -1.131 117.559 118.700 -0.017 0.000 2.364 104 N HA -0.078 4.701 4.740 0.065 0.000 0.183 104 N C 1.406 176.914 175.510 -0.003 0.000 1.022 104 N CA 1.293 54.339 53.050 -0.006 0.000 0.883 104 N CB -1.043 37.443 38.487 -0.000 0.000 0.965 104 N HN 0.205 nan 8.380 nan 0.000 0.438 105 T N 0.292 114.836 114.554 -0.016 0.000 3.023 105 T HA 0.172 4.561 4.350 0.065 0.000 0.266 105 T C 0.991 175.689 174.700 -0.003 0.000 1.093 105 T CA 0.699 62.797 62.100 -0.003 0.000 1.129 105 T CB -0.178 68.668 68.868 -0.036 0.000 0.899 105 T HN 0.357 nan 8.240 nan 0.000 0.491 106 A N 1.753 124.558 122.820 -0.024 0.000 2.640 106 A HA -0.163 4.196 4.320 0.065 0.000 0.300 106 A C 0.727 178.283 177.584 -0.047 0.000 1.499 106 A CA 0.277 52.292 52.037 -0.037 0.000 0.759 106 A CB -2.304 16.678 19.000 -0.031 0.000 1.048 106 A HN 0.420 nan 8.150 nan 0.000 0.450 107 S N 1.058 116.735 115.700 -0.039 0.000 2.564 107 S HA 0.416 4.926 4.470 0.065 0.000 0.278 107 S C -0.425 174.142 174.600 -0.055 0.000 1.333 107 S CA -0.300 57.892 58.200 -0.014 0.000 1.048 107 S CB 0.835 64.038 63.200 0.005 0.000 0.900 107 S HN 0.578 nan 8.310 nan 0.000 0.505 108 P HA -0.060 nan 4.420 nan 0.000 0.226 108 P C 0.074 177.304 177.300 -0.117 0.000 1.153 108 P CA 1.079 64.081 63.100 -0.164 0.000 0.777 108 P CB 0.058 31.660 31.700 -0.164 0.000 0.794 109 Y N -0.605 119.691 120.300 -0.007 0.000 2.658 109 Y HA 0.439 5.029 4.550 0.067 0.000 0.276 109 Y C 2.258 178.111 175.900 -0.079 0.000 1.167 109 Y CA -0.252 57.844 58.100 -0.007 0.000 1.230 109 Y CB -0.476 37.993 38.460 0.015 0.000 1.144 109 Y HN -0.062 nan 8.280 nan 0.000 0.529 110 A N -0.567 122.253 122.820 -0.001 0.000 1.917 110 A HA -0.230 4.129 4.320 0.065 0.000 0.219 110 A C 2.331 179.842 177.584 -0.122 0.000 1.182 110 A CA 2.363 54.360 52.037 -0.067 0.000 0.633 110 A CB -0.743 18.212 19.000 -0.074 0.000 0.819 110 A HN 0.340 nan 8.150 nan 0.000 0.448 111 S N -1.931 113.657 115.700 -0.188 0.000 2.547 111 S HA -0.077 4.433 4.470 0.065 0.000 0.235 111 S C 1.478 175.557 174.600 -0.868 0.000 0.980 111 S CA 0.708 58.671 58.200 -0.396 0.000 0.941 111 S CB -0.511 62.507 63.200 -0.303 0.000 0.763 111 S HN 0.626 nan 8.310 nan 0.000 0.532 112 Y N 2.192 122.071 120.300 -0.701 0.000 2.256 112 Y HA -0.077 4.511 4.550 0.063 0.000 0.288 112 Y C 1.684 177.324 175.900 -0.435 0.000 1.155 112 Y CA 1.042 58.773 58.100 -0.615 0.000 1.203 112 Y CB -0.306 38.039 38.460 -0.192 0.000 0.980 112 Y HN 0.232 nan 8.280 nan 0.000 0.530 113 L N -0.708 120.356 121.223 -0.265 0.000 2.291 113 L HA -0.200 4.179 4.340 0.065 0.000 0.214 113 L C 2.196 178.938 176.870 -0.214 0.000 1.120 113 L CA 1.023 55.738 54.840 -0.209 0.000 0.799 113 L CB -0.451 41.535 42.059 -0.122 0.000 0.925 113 L HN 0.257 nan 8.230 nan 0.000 0.446 114 Q N -0.980 118.658 119.800 -0.271 0.000 2.123 114 Q HA -0.155 4.224 4.340 0.065 0.000 0.199 114 Q C 2.089 177.878 176.000 -0.352 0.000 0.966 114 Q CA 1.192 56.853 55.803 -0.236 0.000 0.845 114 Q CB -0.082 28.586 28.738 -0.117 0.000 0.907 114 Q HN 0.436 nan 8.270 nan 0.000 0.439 115 Y N -0.048 120.061 120.300 -0.319 0.000 2.274 115 Y HA -0.058 4.530 4.550 0.064 0.000 0.290 115 Y C 2.371 178.038 175.900 -0.389 0.000 1.145 115 Y CA 1.086 58.996 58.100 -0.317 0.000 1.203 115 Y CB -1.013 37.330 38.460 -0.196 0.000 0.984 115 Y HN 0.134 nan 8.280 nan 0.000 0.533 116 G N -2.421 106.253 108.800 -0.210 0.000 2.880 116 G HA2 -0.031 3.968 3.960 0.065 0.000 0.209 116 G HA3 -0.031 3.968 3.960 0.065 0.000 0.209 116 G C -0.331 174.545 174.900 -0.041 0.000 1.157 116 G CA 0.238 45.330 45.100 -0.013 0.000 0.779 116 G HN 0.642 nan 8.290 nan 0.000 0.539 117 H N -1.496 117.572 119.070 -0.004 0.000 2.826 117 H HA -0.135 4.460 4.556 0.065 0.000 0.306 117 H C -0.022 175.278 175.328 -0.045 0.000 1.235 117 H CA -0.092 55.947 56.048 -0.015 0.000 1.150 117 H CB -2.087 27.666 29.762 -0.015 0.000 1.409 117 H HN 0.294 nan 8.280 nan 0.000 0.420 118 I N 0.830 121.409 120.570 0.014 0.000 2.710 118 I HA 0.116 4.325 4.170 0.065 0.000 0.286 118 I C 1.284 177.436 176.117 0.058 0.000 1.181 118 I CA 0.936 62.261 61.300 0.042 0.000 1.430 118 I CB 0.363 38.439 38.000 0.126 0.000 1.367 118 I HN 0.499 nan 8.210 nan 0.000 0.577 119 A N 5.848 128.699 122.820 0.052 0.000 2.531 119 A HA 0.123 4.483 4.320 0.065 0.000 0.236 119 A C 1.112 178.727 177.584 0.052 0.000 1.062 119 A CA 0.064 52.130 52.037 0.049 0.000 0.760 119 A CB -0.275 18.747 19.000 0.035 0.000 0.995 119 A HN 0.907 nan 8.150 nan 0.000 0.501 120 N N -0.538 118.189 118.700 0.046 0.000 2.828 120 N HA -0.219 4.560 4.740 0.065 0.000 0.248 120 N C 0.549 176.081 175.510 0.036 0.000 1.044 120 N CA 1.192 54.265 53.050 0.040 0.000 0.851 120 N CB -1.377 37.133 38.487 0.038 0.000 1.136 120 N HN 0.773 nan 8.380 nan 0.000 0.572 121 I N 1.601 122.192 120.570 0.036 0.000 2.315 121 I HA -0.149 4.060 4.170 0.065 0.000 0.248 121 I C 1.662 177.786 176.117 0.011 0.000 1.117 121 I CA 1.718 63.029 61.300 0.019 0.000 1.404 121 I CB -0.084 37.916 38.000 0.000 0.000 1.071 121 I HN 0.038 nan 8.210 nan 0.000 0.419 122 D N 0.700 121.113 120.400 0.022 0.000 2.092 122 D HA -0.192 4.487 4.640 0.065 0.000 0.193 122 D C 1.825 178.136 176.300 0.017 0.000 0.994 122 D CA 1.589 55.602 54.000 0.021 0.000 0.828 122 D CB -0.463 40.359 40.800 0.036 0.000 0.963 122 D HN 0.350 nan 8.370 nan 0.000 0.450 123 D N 0.014 120.426 120.400 0.020 0.000 2.144 123 D HA -0.077 4.602 4.640 0.065 0.000 0.199 123 D C 2.213 178.521 176.300 0.013 0.000 0.984 123 D CA 0.356 54.366 54.000 0.017 0.000 0.834 123 D CB -0.208 40.604 40.800 0.019 0.000 0.955 123 D HN 0.271 nan 8.370 nan 0.000 0.465 124 I N 0.301 120.878 120.570 0.012 0.000 2.202 124 I HA -0.190 4.019 4.170 0.065 0.000 0.242 124 I C 2.284 178.400 176.117 -0.002 0.000 1.091 124 I CA 0.648 61.953 61.300 0.008 0.000 1.368 124 I CB -0.067 37.940 38.000 0.011 0.000 1.058 124 I HN -0.036 nan 8.210 nan 0.000 0.410 125 I N 0.841 121.408 120.570 -0.006 0.000 2.286 125 I HA -0.270 3.939 4.170 0.065 0.000 0.248 125 I C 2.474 178.588 176.117 -0.006 0.000 1.115 125 I CA 1.303 62.595 61.300 -0.013 0.000 1.392 125 I CB -0.378 37.611 38.000 -0.019 0.000 1.065 125 I HN 0.185 nan 8.210 nan 0.000 0.418 126 A N 0.192 123.013 122.820 0.001 0.000 2.235 126 A HA 0.245 4.604 4.320 0.065 0.000 0.208 126 A C 1.878 179.464 177.584 0.003 0.000 1.172 126 A CA 0.827 52.866 52.037 0.004 0.000 0.786 126 A CB -0.643 18.362 19.000 0.008 0.000 0.804 126 A HN 0.586 nan 8.150 nan 0.000 0.479 127 G N -0.466 108.335 108.800 0.002 0.000 2.148 127 G HA2 -0.311 3.689 3.960 0.065 0.000 0.254 127 G HA3 -0.311 3.689 3.960 0.065 0.000 0.254 127 G C 0.896 175.800 174.900 0.006 0.000 0.981 127 G CA 0.829 45.931 45.100 0.003 0.000 0.670 127 G HN 0.566 nan 8.290 nan 0.000 0.528 128 K N -0.437 119.968 120.400 0.008 0.000 2.243 128 K HA 0.113 4.472 4.320 0.065 0.000 0.201 128 K C 1.026 177.633 176.600 0.012 0.000 1.051 128 K CA 0.808 57.101 56.287 0.010 0.000 0.970 128 K CB 0.179 32.686 32.500 0.011 0.000 0.755 128 K HN 0.350 nan 8.250 nan 0.000 0.465 129 K N 0.863 121.271 120.400 0.013 0.000 2.426 129 K HA 0.307 4.666 4.320 0.065 0.000 0.251 129 K C -2.787 173.823 176.600 0.015 0.000 0.941 129 K CA -2.247 54.049 56.287 0.016 0.000 0.808 129 K CB 2.126 34.638 32.500 0.019 0.000 1.265 129 K HN -0.187 nan 8.250 nan 0.000 0.432 130 P HA 0.015 nan 4.420 nan 0.000 0.272 130 P C -0.006 177.307 177.300 0.022 0.000 1.230 130 P CA -0.060 63.051 63.100 0.018 0.000 0.788 130 P CB 0.874 32.586 31.700 0.021 0.000 0.949 131 A N 2.067 124.897 122.820 0.018 0.000 2.019 131 A HA -0.137 4.222 4.320 0.065 0.000 0.219 131 A C 1.814 179.424 177.584 0.042 0.000 1.164 131 A CA 2.141 54.190 52.037 0.021 0.000 0.644 131 A CB -1.888 17.111 19.000 -0.002 0.000 0.805 131 A HN 0.680 nan 8.150 nan 0.000 0.449 132 T N -2.791 111.790 114.554 0.045 0.000 3.155 132 T HA -0.036 4.353 4.350 0.065 0.000 0.264 132 T C 0.631 175.367 174.700 0.059 0.000 1.160 132 T CA 1.190 63.327 62.100 0.061 0.000 1.075 132 T CB -0.247 68.655 68.868 0.058 0.000 0.921 132 T HN 0.313 nan 8.240 nan 0.000 0.533 133 D N 0.382 120.811 120.400 0.050 0.000 2.340 133 D HA 0.226 4.905 4.640 0.065 0.000 0.220 133 D C 0.497 176.830 176.300 0.055 0.000 1.039 133 D CA -0.270 53.758 54.000 0.046 0.000 0.866 133 D CB -0.226 40.595 40.800 0.036 0.000 0.913 133 D HN 0.338 nan 8.370 nan 0.000 0.523 134 L N 0.785 122.051 121.223 0.072 0.000 2.514 134 L HA 0.197 4.576 4.340 0.065 0.000 0.280 134 L C 1.300 178.226 176.870 0.093 0.000 1.223 134 L CA 0.248 55.144 54.840 0.094 0.000 0.864 134 L CB 0.713 42.852 42.059 0.134 0.000 1.118 134 L HN 0.037 nan 8.230 nan 0.000 0.494 135 G N 5.342 114.194 108.800 0.087 0.000 3.263 135 G HA2 0.390 4.389 3.960 0.065 0.000 0.246 135 G HA3 0.390 4.389 3.960 0.065 0.000 0.246 135 G C -0.435 174.489 174.900 0.039 0.000 0.982 135 G CA 0.423 45.557 45.100 0.056 0.000 1.897 135 G HN 0.767 nan 8.290 nan 0.000 0.624 136 V N -2.019 117.916 119.914 0.036 0.000 2.789 136 V HA 0.950 5.109 4.120 0.065 0.000 0.311 136 V C -0.694 175.378 176.094 -0.037 0.000 1.073 136 V CA -1.440 60.812 62.300 -0.080 0.000 0.921 136 V CB 1.984 33.832 31.823 0.041 0.000 1.009 136 V HN 0.516 nan 8.190 nan 0.000 0.426 137 K N 2.828 123.144 120.400 -0.140 0.000 2.536 137 K HA 0.909 5.268 4.320 0.065 0.000 0.269 137 K C -0.979 175.635 176.600 0.023 0.000 0.965 137 K CA -0.551 55.737 56.287 0.002 0.000 0.860 137 K CB 2.485 34.985 32.500 0.000 0.000 1.423 137 K HN 1.304 nan 8.250 nan 0.000 0.438 138 A N 2.926 125.804 122.820 0.096 0.000 2.260 138 A HA 0.377 4.736 4.320 0.065 0.000 0.312 138 A C 0.627 178.224 177.584 0.022 0.000 1.321 138 A CA -0.931 51.122 52.037 0.026 0.000 0.928 138 A CB -0.174 18.687 19.000 -0.232 0.000 1.158 138 A HN 0.792 nan 8.150 nan 0.000 0.542 139 L N 1.015 122.244 121.223 0.011 0.000 2.240 139 L HA 0.096 4.475 4.340 0.065 0.000 0.211 139 L C 0.548 177.443 176.870 0.042 0.000 1.106 139 L CA 0.970 55.826 54.840 0.027 0.000 0.793 139 L CB -0.391 41.678 42.059 0.018 0.000 0.927 139 L HN 0.923 nan 8.230 nan 0.000 0.446 140 D N -4.528 115.882 120.400 0.017 0.000 2.768 140 D HA 0.059 4.738 4.640 0.065 0.000 0.327 140 D C -0.015 176.225 176.300 -0.101 0.000 1.302 140 D CA -0.624 53.390 54.000 0.023 0.000 0.897 140 D CB 0.185 41.018 40.800 0.056 0.000 1.420 140 D HN -0.341 nan 8.370 nan 0.000 0.494 141 D N -1.422 118.902 120.400 -0.126 0.000 2.218 141 D HA -0.097 4.583 4.640 0.065 0.000 0.204 141 D C 0.533 176.546 176.300 -0.478 0.000 0.976 141 D CA 1.238 55.042 54.000 -0.328 0.000 0.853 141 D CB -0.043 40.491 40.800 -0.443 0.000 0.939 141 D HN 0.395 nan 8.370 nan 0.000 0.481 142 H N -1.266 117.830 119.070 0.044 0.000 2.581 142 H HA 0.283 4.879 4.556 0.065 0.000 0.275 142 H C -0.183 175.185 175.328 0.067 0.000 1.126 142 H CA 0.105 56.185 56.048 0.053 0.000 1.097 142 H CB 0.483 30.283 29.762 0.063 0.000 1.626 142 H HN -0.124 nan 8.280 nan 0.000 0.565 143 T N 1.532 116.148 114.554 0.102 0.000 2.906 143 T HA 0.206 4.596 4.350 0.065 0.000 0.302 143 T C -1.079 173.681 174.700 0.099 0.000 1.002 143 T CA -0.512 61.640 62.100 0.088 0.000 0.988 143 T CB 1.142 70.058 68.868 0.080 0.000 0.972 143 T HN 0.056 nan 8.240 nan 0.000 0.447 144 F N 3.016 122.930 119.950 -0.061 0.000 2.411 144 F HA 0.561 5.127 4.527 0.064 0.000 0.352 144 F C 0.055 175.882 175.800 0.045 0.000 1.123 144 F CA -1.225 56.736 58.000 -0.065 0.000 1.044 144 F CB 1.038 39.919 39.000 -0.197 0.000 1.135 144 F HN 0.502 nan 8.300 nan 0.000 0.461 145 E N 5.658 125.610 120.200 -0.414 0.000 2.176 145 E HA 0.541 4.930 4.350 0.065 0.000 0.267 145 E C -1.788 174.547 176.600 -0.442 0.000 0.893 145 E CA -0.705 55.512 56.400 -0.305 0.000 0.761 145 E CB 1.739 31.340 29.700 -0.165 0.000 1.133 145 E HN 0.505 nan 8.360 nan 0.000 0.409 146 V N 3.805 123.604 119.914 -0.191 0.000 2.417 146 V HA 0.332 4.492 4.120 0.065 0.000 0.291 146 V C -0.191 175.918 176.094 0.024 0.000 1.024 146 V CA -0.615 61.635 62.300 -0.083 0.000 0.861 146 V CB 1.838 33.782 31.823 0.200 0.000 0.985 146 V HN 0.705 nan 8.190 nan 0.000 0.436 147 T N 6.759 121.308 114.554 -0.008 0.000 2.770 147 T HA 0.633 5.022 4.350 0.065 0.000 0.283 147 T C -0.243 174.455 174.700 -0.003 0.000 0.988 147 T CA -0.265 61.836 62.100 0.003 0.000 0.957 147 T CB 0.672 69.535 68.868 -0.008 0.000 0.930 147 T HN 0.346 nan 8.240 nan 0.000 0.443 148 L N 2.079 123.298 121.223 -0.008 0.000 2.352 148 L HA 0.450 4.829 4.340 0.065 0.000 0.269 148 L C 1.588 178.469 176.870 0.018 0.000 1.034 148 L CA -0.840 53.988 54.840 -0.020 0.000 0.806 148 L CB 1.344 43.364 42.059 -0.065 0.000 1.244 148 L HN 0.707 nan 8.230 nan 0.000 0.447 149 S N -0.896 114.827 115.700 0.039 0.000 2.558 149 S HA 0.063 4.573 4.470 0.065 0.000 0.217 149 S C 0.191 174.790 174.600 -0.001 0.000 0.975 149 S CA -0.162 58.054 58.200 0.028 0.000 0.912 149 S CB -0.339 62.890 63.200 0.049 0.000 0.776 149 S HN 0.778 nan 8.310 nan 0.000 0.526 150 E N -0.460 119.730 120.200 -0.017 0.000 2.407 150 E HA 0.466 4.855 4.350 0.065 0.000 0.279 150 E C -3.570 173.032 176.600 0.002 0.000 1.012 150 E CA -2.718 53.658 56.400 -0.040 0.000 0.800 150 E CB 0.425 30.049 29.700 -0.126 0.000 1.276 150 E HN -0.069 nan 8.360 nan 0.000 0.452 151 P HA 0.091 nan 4.420 nan 0.000 0.267 151 P C -0.744 176.603 177.300 0.078 0.000 1.205 151 P CA -0.243 62.952 63.100 0.159 0.000 0.765 151 P CB 0.612 32.441 31.700 0.216 0.000 0.828 152 V N 6.603 126.599 119.914 0.137 0.000 2.380 152 V HA 0.177 4.336 4.120 0.065 0.000 0.272 152 V C -1.740 174.317 176.094 -0.062 0.000 1.011 152 V CA -1.287 60.932 62.300 -0.135 0.000 0.826 152 V CB 1.648 33.343 31.823 -0.213 0.000 1.040 152 V HN 0.404 nan 8.190 nan 0.000 0.441 153 P HA -0.108 nan 4.420 nan 0.000 0.220 153 P C 0.959 178.336 177.300 0.128 0.000 1.148 153 P CA 1.184 64.058 63.100 -0.377 0.000 0.803 153 P CB -0.013 31.260 31.700 -0.711 0.000 0.782 154 Y N -4.481 115.859 120.300 0.067 0.000 2.470 154 Y HA 0.333 4.921 4.550 0.064 0.000 0.284 154 Y C 1.720 177.447 175.900 -0.287 0.000 1.188 154 Y CA -1.027 57.018 58.100 -0.091 0.000 1.269 154 Y CB -1.438 36.977 38.460 -0.075 0.000 1.094 154 Y HN -0.208 nan 8.280 nan 0.000 0.518 155 F N 2.496 122.123 119.950 -0.539 0.000 2.087 155 F HA -0.302 4.266 4.527 0.069 0.000 0.299 155 F C 2.354 177.763 175.800 -0.652 0.000 1.100 155 F CA 1.809 59.386 58.000 -0.705 0.000 1.226 155 F CB -0.878 37.508 39.000 -1.023 0.000 0.983 155 F HN 0.324 nan 8.300 nan 0.000 0.479 156 Y N -0.032 119.835 120.300 -0.722 0.000 2.315 156 Y HA -0.098 4.488 4.550 0.060 0.000 0.288 156 Y C 2.009 177.695 175.900 -0.357 0.000 1.154 156 Y CA 1.348 59.107 58.100 -0.568 0.000 1.229 156 Y CB -1.514 36.818 38.460 -0.213 0.000 0.980 156 Y HN 0.042 nan 8.280 nan 0.000 0.540 157 K N 0.225 120.037 120.400 -0.979 0.000 2.209 157 K HA -0.106 4.253 4.320 0.065 0.000 0.204 157 K C 1.641 178.068 176.600 -0.289 0.000 1.048 157 K CA 1.448 57.435 56.287 -0.500 0.000 0.940 157 K CB -0.270 32.005 32.500 -0.375 0.000 0.729 157 K HN 0.279 nan 8.250 nan 0.000 0.451 158 L N 0.726 121.632 121.223 -0.530 0.000 2.201 158 L HA -0.104 4.275 4.340 0.065 0.000 0.212 158 L C 1.760 178.573 176.870 -0.095 0.000 1.105 158 L CA 1.339 55.942 54.840 -0.395 0.000 0.775 158 L CB -0.368 41.222 42.059 -0.782 0.000 0.913 158 L HN 0.140 nan 8.230 nan 0.000 0.440 159 L N -1.369 119.707 121.223 -0.245 0.000 2.622 159 L HA -0.063 4.316 4.340 0.065 0.000 0.233 159 L C 1.725 178.605 176.870 0.017 0.000 1.156 159 L CA -0.034 54.722 54.840 -0.139 0.000 0.866 159 L CB -0.464 41.410 42.059 -0.308 0.000 0.980 159 L HN 0.092 nan 8.230 nan 0.000 0.448 160 V N -2.171 117.786 119.914 0.072 0.000 3.461 160 V HA -0.065 4.094 4.120 0.065 0.000 0.267 160 V C 1.257 177.419 176.094 0.114 0.000 1.186 160 V CA 0.280 62.660 62.300 0.133 0.000 1.154 160 V CB -1.061 30.863 31.823 0.169 0.000 0.802 160 V HN 0.401 nan 8.190 nan 0.000 0.474 161 H N 1.438 120.485 119.070 -0.039 0.000 2.629 161 H HA 0.137 4.731 4.556 0.064 0.000 0.357 161 H C -1.737 173.443 175.328 -0.245 0.000 1.121 161 H CA -1.603 54.312 56.048 -0.222 0.000 1.406 161 H CB 2.222 31.699 29.762 -0.475 0.000 1.456 161 H HN 0.005 nan 8.280 nan 0.000 0.579 162 P HA -0.172 nan 4.420 nan 0.000 0.218 162 P C 1.579 178.693 177.300 -0.310 0.000 1.148 162 P CA 1.844 64.677 63.100 -0.445 0.000 0.822 162 P CB 0.120 31.521 31.700 -0.498 0.000 0.784 163 S N -0.626 114.851 115.700 -0.373 0.000 2.419 163 S HA -0.119 4.390 4.470 0.065 0.000 0.233 163 S C 1.608 176.186 174.600 -0.037 0.000 1.016 163 S CA 1.541 59.665 58.200 -0.127 0.000 0.974 163 S CB -1.686 61.391 63.200 -0.206 0.000 0.786 163 S HN 0.158 nan 8.310 nan 0.000 0.492 164 V N -0.980 118.891 119.914 -0.073 0.000 3.342 164 V HA 0.424 4.583 4.120 0.065 0.000 0.322 164 V C 0.370 176.680 176.094 0.360 0.000 1.370 164 V CA -0.607 61.694 62.300 0.000 0.000 1.170 164 V CB -0.763 30.911 31.823 -0.249 0.000 1.101 164 V HN 0.286 nan 8.190 nan 0.000 0.442 165 S N 3.316 119.123 115.700 0.178 0.000 2.617 165 S HA 0.461 4.970 4.470 0.065 0.000 0.269 165 S C -2.252 172.367 174.600 0.033 0.000 1.292 165 S CA -0.542 57.757 58.200 0.165 0.000 1.010 165 S CB 1.043 64.302 63.200 0.099 0.000 0.944 165 S HN 0.498 nan 8.310 nan 0.000 0.536 166 P HA 0.280 nan 4.420 nan 0.000 0.278 166 P C -0.872 176.482 177.300 0.090 0.000 1.238 166 P CA -0.400 62.550 63.100 -0.250 0.000 0.794 166 P CB 0.687 31.999 31.700 -0.647 0.000 0.955 167 V N -1.096 118.857 119.914 0.065 0.000 2.769 167 V HA 0.647 4.806 4.120 0.065 0.000 0.312 167 V C -2.656 173.336 176.094 -0.169 0.000 1.061 167 V CA -3.075 59.176 62.300 -0.082 0.000 0.931 167 V CB 1.750 33.320 31.823 -0.421 0.000 1.010 167 V HN 0.354 nan 8.190 nan 0.000 0.433 168 P HA 0.245 nan 4.420 nan 0.000 0.284 168 P C 0.280 177.204 177.300 -0.627 0.000 1.343 168 P CA -0.234 62.369 63.100 -0.828 0.000 0.826 168 P CB 1.379 32.533 31.700 -0.910 0.000 0.956 169 K N 3.377 123.397 120.400 -0.634 0.000 2.074 169 K HA -0.193 4.167 4.320 0.065 0.000 0.209 169 K C 1.840 178.125 176.600 -0.526 0.000 1.048 169 K CA 2.370 58.147 56.287 -0.850 0.000 0.926 169 K CB -0.217 31.533 32.500 -1.249 0.000 0.713 169 K HN 0.436 nan 8.250 nan 0.000 0.444 170 S N 0.041 115.492 115.700 -0.416 0.000 2.382 170 S HA -0.098 4.411 4.470 0.065 0.000 0.228 170 S C 2.160 176.645 174.600 -0.191 0.000 1.027 170 S CA 0.930 58.966 58.200 -0.274 0.000 0.991 170 S CB -0.296 62.775 63.200 -0.215 0.000 0.823 170 S HN 0.418 nan 8.310 nan 0.000 0.469 171 A N 1.495 124.229 122.820 -0.144 0.000 1.897 171 A HA 0.159 4.519 4.320 0.065 0.000 0.215 171 A C 2.413 180.054 177.584 0.095 0.000 1.181 171 A CA 1.337 53.461 52.037 0.144 0.000 0.620 171 A CB -1.069 18.056 19.000 0.210 0.000 0.821 171 A HN 0.422 nan 8.150 nan 0.000 0.443 172 V N -0.028 119.701 119.914 -0.308 0.000 2.255 172 V HA -0.299 3.860 4.120 0.065 0.000 0.247 172 V C 2.510 178.546 176.094 -0.097 0.000 1.051 172 V CA 2.478 64.546 62.300 -0.386 0.000 1.018 172 V CB -0.741 30.774 31.823 -0.512 0.000 0.641 172 V HN 0.696 nan 8.190 nan 0.000 0.445 173 E N -0.282 119.833 120.200 -0.141 0.000 2.077 173 E HA -0.266 4.123 4.350 0.065 0.000 0.193 173 E C 2.325 178.841 176.600 -0.140 0.000 0.989 173 E CA 1.558 57.891 56.400 -0.111 0.000 0.800 173 E CB -0.086 29.517 29.700 -0.161 0.000 0.746 173 E HN 0.532 nan 8.360 nan 0.000 0.452 174 K N -0.570 119.683 120.400 -0.246 0.000 2.062 174 K HA -0.094 4.266 4.320 0.065 0.000 0.205 174 K C 1.083 177.364 176.600 -0.532 0.000 1.051 174 K CA 1.181 57.173 56.287 -0.491 0.000 0.941 174 K CB 0.068 32.088 32.500 -0.799 0.000 0.719 174 K HN 0.079 nan 8.250 nan 0.000 0.440 175 F N 0.139 120.129 119.950 0.067 0.000 2.678 175 F HA 0.323 4.889 4.527 0.065 0.000 0.305 175 F C 1.357 177.246 175.800 0.148 0.000 1.090 175 F CA 0.134 58.203 58.000 0.114 0.000 1.272 175 F CB 0.429 39.524 39.000 0.158 0.000 1.060 175 F HN 0.268 nan 8.300 nan 0.000 0.576 176 G N 2.053 111.011 108.800 0.264 0.000 2.611 176 G HA2 -0.476 3.523 3.960 0.065 0.000 0.301 176 G HA3 -0.476 3.523 3.960 0.065 0.000 0.301 176 G C 0.696 175.815 174.900 0.365 0.000 1.233 176 G CA 0.842 46.085 45.100 0.237 0.000 0.993 176 G HN 0.442 nan 8.290 nan 0.000 0.553 177 D N 0.328 120.882 120.400 0.256 0.000 2.378 177 D HA 0.083 4.762 4.640 0.065 0.000 0.222 177 D C 1.708 178.102 176.300 0.155 0.000 0.980 177 D CA 1.468 55.599 54.000 0.218 0.000 0.907 177 D CB -0.018 40.856 40.800 0.123 0.000 0.899 177 D HN 0.575 nan 8.370 nan 0.000 0.527 178 K N 0.340 120.852 120.400 0.187 0.000 2.410 178 K HA 0.086 4.446 4.320 0.065 0.000 0.200 178 K C 1.000 177.673 176.600 0.123 0.000 1.023 178 K CA -0.318 56.029 56.287 0.100 0.000 1.149 178 K CB -0.050 32.509 32.500 0.098 0.000 0.859 178 K HN 0.424 nan 8.250 nan 0.000 0.514 179 W N 1.146 122.524 121.300 0.129 0.000 2.425 179 W HA -0.133 4.565 4.660 0.064 0.000 0.277 179 W C 0.914 177.472 176.519 0.066 0.000 1.231 179 W CA 1.490 58.905 57.345 0.117 0.000 1.248 179 W CB -0.903 28.666 29.460 0.182 0.000 1.117 179 W HN -0.035 nan 8.180 nan 0.000 0.568 180 T N -0.942 113.314 114.554 -0.496 0.000 3.129 180 T HA 0.006 4.395 4.350 0.065 0.000 0.251 180 T C 0.883 175.546 174.700 -0.063 0.000 1.117 180 T CA 0.076 61.889 62.100 -0.478 0.000 1.034 180 T CB -0.180 68.339 68.868 -0.581 0.000 0.968 180 T HN -0.093 nan 8.240 nan 0.000 0.526 181 Q N 1.942 121.717 119.800 -0.042 0.000 2.395 181 Q HA 0.187 4.566 4.340 0.065 0.000 0.271 181 Q C -1.597 174.400 176.000 -0.006 0.000 1.026 181 Q CA -2.108 53.694 55.803 -0.002 0.000 0.900 181 Q CB 1.083 29.772 28.738 -0.082 0.000 1.266 181 Q HN 0.142 nan 8.270 nan 0.000 0.430 182 P HA -0.199 nan 4.420 nan 0.000 0.217 182 P C 0.593 177.880 177.300 -0.022 0.000 1.151 182 P CA 2.116 65.229 63.100 0.023 0.000 0.849 182 P CB 0.180 31.907 31.700 0.044 0.000 0.787 183 A N -1.246 121.537 122.820 -0.061 0.000 2.119 183 A HA -0.112 4.248 4.320 0.065 0.000 0.217 183 A C 1.885 179.365 177.584 -0.173 0.000 1.153 183 A CA 1.386 53.370 52.037 -0.090 0.000 0.692 183 A CB -0.726 18.221 19.000 -0.088 0.000 0.799 183 A HN 0.161 nan 8.150 nan 0.000 0.458 184 N N -1.141 117.404 118.700 -0.259 0.000 2.397 184 N HA 0.177 4.956 4.740 0.065 0.000 0.190 184 N C 0.493 175.949 175.510 -0.091 0.000 1.099 184 N CA -0.186 52.596 53.050 -0.447 0.000 0.876 184 N CB 0.163 38.116 38.487 -0.891 0.000 1.143 184 N HN 0.494 nan 8.380 nan 0.000 0.468 185 I N 1.925 122.503 120.570 0.015 0.000 2.813 185 I HA -0.031 4.178 4.170 0.065 0.000 0.287 185 I C -0.662 175.569 176.117 0.191 0.000 1.196 185 I CA 0.145 61.556 61.300 0.185 0.000 1.421 185 I CB 0.663 38.715 38.000 0.088 0.000 1.365 185 I HN -0.295 nan 8.210 nan 0.000 0.591 186 V N 5.928 126.026 119.914 0.306 0.000 2.577 186 V HA 0.441 4.600 4.120 0.065 0.000 0.303 186 V C -0.111 176.252 176.094 0.448 0.000 1.042 186 V CA -0.464 61.992 62.300 0.260 0.000 0.872 186 V CB 1.844 33.719 31.823 0.086 0.000 0.998 186 V HN 0.887 nan 8.190 nan 0.000 0.423 187 T N 0.155 114.935 114.554 0.377 0.000 2.916 187 T HA 0.497 4.886 4.350 0.065 0.000 0.292 187 T C 0.172 175.045 174.700 0.288 0.000 1.064 187 T CA -0.634 61.605 62.100 0.232 0.000 1.011 187 T CB 2.149 70.854 68.868 -0.272 0.000 1.152 187 T HN 0.633 nan 8.240 nan 0.000 0.510 188 N N -0.638 118.077 118.700 0.026 0.000 2.160 188 N HA 0.213 4.992 4.740 0.065 0.000 0.226 188 N C 0.616 176.108 175.510 -0.030 0.000 1.256 188 N CA -0.309 52.674 53.050 -0.111 0.000 0.890 188 N CB 0.369 38.487 38.487 -0.614 0.000 1.116 188 N HN 0.813 nan 8.380 nan 0.000 0.517 189 G N 0.147 108.855 108.800 -0.154 0.000 2.510 189 G HA2 0.504 4.503 3.960 0.065 0.000 0.280 189 G HA3 0.504 4.503 3.960 0.065 0.000 0.280 189 G C 0.866 175.348 174.900 -0.697 0.000 1.386 189 G CA 0.035 44.941 45.100 -0.324 0.000 1.047 189 G HN 0.211 nan 8.290 nan 0.000 0.527 190 A N -1.757 120.458 122.820 -1.009 0.000 2.067 190 A HA 0.251 4.610 4.320 0.065 0.000 0.219 190 A C 0.428 177.480 177.584 -0.886 0.000 1.158 190 A CA 0.946 52.303 52.037 -1.133 0.000 0.661 190 A CB -0.352 18.113 19.000 -0.892 0.000 0.801 190 A HN 0.452 nan 8.150 nan 0.000 0.452 191 Y N -1.160 118.993 120.300 -0.245 0.000 2.598 191 Y HA 0.582 5.168 4.550 0.061 0.000 0.340 191 Y C 0.183 175.999 175.900 -0.139 0.000 1.038 191 Y CA -0.947 57.068 58.100 -0.141 0.000 1.100 191 Y CB 1.582 39.977 38.460 -0.109 0.000 1.281 191 Y HN -0.052 nan 8.280 nan 0.000 0.488 192 K N 1.084 121.522 120.400 0.063 0.000 2.395 192 K HA 0.517 4.876 4.320 0.065 0.000 0.247 192 K C -1.776 174.834 176.600 0.017 0.000 0.973 192 K CA -1.220 55.073 56.287 0.009 0.000 0.828 192 K CB 2.553 35.067 32.500 0.024 0.000 1.272 192 K HN 0.393 nan 8.250 nan 0.000 0.439 193 L N 2.508 123.720 121.223 -0.018 0.000 2.313 193 L HA 0.151 4.530 4.340 0.065 0.000 0.282 193 L C 0.984 177.867 176.870 0.020 0.000 1.092 193 L CA 0.687 55.517 54.840 -0.017 0.000 0.831 193 L CB 0.590 42.624 42.059 -0.040 0.000 1.159 193 L HN 0.713 nan 8.230 nan 0.000 0.442 194 K N 3.424 123.843 120.400 0.032 0.000 2.190 194 K HA 0.217 4.577 4.320 0.065 0.000 0.202 194 K C -0.181 176.450 176.600 0.052 0.000 1.045 194 K CA 0.305 56.617 56.287 0.040 0.000 0.976 194 K CB 0.425 32.949 32.500 0.041 0.000 0.849 194 K HN 0.735 nan 8.250 nan 0.000 0.468 195 N N -0.651 118.089 118.700 0.068 0.000 2.277 195 N HA 0.112 4.891 4.740 0.065 0.000 0.286 195 N C -2.104 173.520 175.510 0.190 0.000 1.140 195 N CA -0.489 52.622 53.050 0.102 0.000 0.799 195 N CB 1.626 40.159 38.487 0.077 0.000 1.596 195 N HN 0.090 nan 8.380 nan 0.000 0.473 196 W N 2.737 124.020 121.300 -0.029 0.000 2.664 196 W HA 0.437 5.139 4.660 0.069 0.000 0.314 196 W C -2.025 174.477 176.519 -0.029 0.000 1.010 196 W CA -0.651 56.674 57.345 -0.033 0.000 1.306 196 W CB 0.380 29.809 29.460 -0.051 0.000 1.254 196 W HN 0.107 nan 8.180 nan 0.000 0.404 197 V N 6.945 127.019 119.914 0.267 0.000 2.313 197 V HA 0.226 4.385 4.120 0.065 0.000 0.278 197 V C 0.353 176.499 176.094 0.088 0.000 1.017 197 V CA -1.003 61.337 62.300 0.066 0.000 0.823 197 V CB 1.019 32.878 31.823 0.060 0.000 1.010 197 V HN 0.202 nan 8.190 nan 0.000 0.443 198 V N 5.637 125.502 119.914 -0.082 0.000 2.644 198 V HA -0.006 4.153 4.120 0.065 0.000 0.305 198 V C 1.266 177.384 176.094 0.040 0.000 1.053 198 V CA 0.920 63.214 62.300 -0.011 0.000 1.186 198 V CB -0.536 31.198 31.823 -0.150 0.000 0.895 198 V HN 1.154 nan 8.190 nan 0.000 0.490 199 N N 2.000 120.753 118.700 0.087 0.000 2.741 199 N HA -0.219 4.560 4.740 0.065 0.000 0.251 199 N C 0.867 176.405 175.510 0.048 0.000 1.112 199 N CA 1.180 54.265 53.050 0.058 0.000 0.750 199 N CB -0.461 38.045 38.487 0.032 0.000 1.119 199 N HN 0.898 nan 8.380 nan 0.000 0.561 200 E N -0.361 119.880 120.200 0.068 0.000 3.441 200 E HA 0.240 4.629 4.350 0.065 0.000 0.195 200 E C 0.065 176.702 176.600 0.061 0.000 1.172 200 E CA 0.124 56.554 56.400 0.051 0.000 1.457 200 E CB 0.765 30.489 29.700 0.041 0.000 1.388 200 E HN 0.362 nan 8.360 nan 0.000 0.551 201 R N -0.212 120.348 120.500 0.098 0.000 2.728 201 R HA 0.469 4.848 4.340 0.065 0.000 0.274 201 R C -1.715 174.664 176.300 0.132 0.000 1.032 201 R CA -0.687 55.467 56.100 0.090 0.000 0.866 201 R CB 0.552 30.884 30.300 0.054 0.000 1.263 201 R HN -0.024 nan 8.270 nan 0.000 0.475 202 I N 1.903 122.518 120.570 0.075 0.000 2.418 202 I HA 0.394 4.603 4.170 0.065 0.000 0.287 202 I C -0.858 175.282 176.117 0.039 0.000 1.008 202 I CA -1.194 60.117 61.300 0.018 0.000 1.104 202 I CB 2.350 40.254 38.000 -0.159 0.000 1.264 202 I HN 0.319 nan 8.210 nan 0.000 0.438 203 V N 7.310 127.244 119.914 0.032 0.000 2.409 203 V HA 0.480 4.640 4.120 0.065 0.000 0.291 203 V C -0.085 176.019 176.094 0.016 0.000 1.020 203 V CA -0.553 61.760 62.300 0.021 0.000 0.848 203 V CB 1.772 33.609 31.823 0.024 0.000 0.990 203 V HN 0.470 nan 8.190 nan 0.000 0.430 204 L N 4.959 126.186 121.223 0.006 0.000 2.331 204 L HA 0.726 5.105 4.340 0.065 0.000 0.275 204 L C 0.054 176.986 176.870 0.104 0.000 1.022 204 L CA -0.522 54.336 54.840 0.030 0.000 0.812 204 L CB 1.947 43.989 42.059 -0.027 0.000 1.257 204 L HN 0.805 nan 8.230 nan 0.000 0.435 205 E N 2.217 122.524 120.200 0.178 0.000 2.312 205 E HA 0.414 4.803 4.350 0.065 0.000 0.267 205 E C -0.783 175.962 176.600 0.242 0.000 0.894 205 E CA -1.115 55.407 56.400 0.202 0.000 0.773 205 E CB 2.111 31.869 29.700 0.098 0.000 1.241 205 E HN 0.450 nan 8.360 nan 0.000 0.432 206 R N 1.620 122.208 120.500 0.147 0.000 2.566 206 R HA -0.088 4.291 4.340 0.065 0.000 0.273 206 R C -0.609 175.613 176.300 -0.130 0.000 0.981 206 R CA 0.141 56.144 56.100 -0.162 0.000 1.091 206 R CB 0.243 30.488 30.300 -0.091 0.000 0.924 206 R HN 0.590 nan 8.270 nan 0.000 0.411 207 N N 5.576 124.141 118.700 -0.225 0.000 2.462 207 N HA 0.200 4.979 4.740 0.065 0.000 0.242 207 N C -2.092 173.397 175.510 -0.034 0.000 1.010 207 N CA -2.416 50.582 53.050 -0.086 0.000 0.939 207 N CB 1.572 40.003 38.487 -0.093 0.000 1.127 207 N HN 0.366 nan 8.380 nan 0.000 0.509 208 P HA -0.078 nan 4.420 nan 0.000 0.226 208 P C 0.666 177.991 177.300 0.042 0.000 1.153 208 P CA 0.964 64.072 63.100 0.013 0.000 0.777 208 P CB 0.439 32.150 31.700 0.018 0.000 0.794 209 Q N -1.828 118.015 119.800 0.071 0.000 2.432 209 Q HA -0.038 4.341 4.340 0.065 0.000 0.205 209 Q C 0.491 176.567 176.000 0.127 0.000 0.945 209 Q CA 0.060 55.922 55.803 0.099 0.000 0.924 209 Q CB -0.735 28.079 28.738 0.126 0.000 1.016 209 Q HN 0.336 nan 8.270 nan 0.000 0.503 210 Y N 2.466 122.742 120.300 -0.039 0.000 2.717 210 Y HA -0.192 4.394 4.550 0.061 0.000 0.330 210 Y C 1.347 177.210 175.900 -0.062 0.000 1.217 210 Y CA -0.511 57.539 58.100 -0.084 0.000 1.506 210 Y CB 0.273 38.600 38.460 -0.221 0.000 1.268 210 Y HN 0.247 nan 8.280 nan 0.000 0.561 211 W N 4.165 125.160 121.300 -0.508 0.000 2.331 211 W HA -0.206 4.491 4.660 0.062 0.000 0.291 211 W C 0.246 176.459 176.519 -0.510 0.000 1.214 211 W CA 1.407 58.491 57.345 -0.435 0.000 1.228 211 W CB -0.357 28.899 29.460 -0.341 0.000 1.135 211 W HN 0.538 nan 8.180 nan 0.000 0.537 212 D N 0.647 119.967 120.400 -1.800 0.000 2.427 212 D HA -0.015 4.665 4.640 0.065 0.000 0.224 212 D C 1.465 177.429 176.300 -0.559 0.000 1.157 212 D CA 0.037 53.276 54.000 -1.270 0.000 0.828 212 D CB -0.610 39.066 40.800 -1.874 0.000 0.974 212 D HN 0.009 nan 8.370 nan 0.000 0.498 213 N N 0.485 118.982 118.700 -0.339 0.000 2.132 213 N HA -0.223 4.556 4.740 0.065 0.000 0.191 213 N C 1.692 177.156 175.510 -0.078 0.000 1.015 213 N CA 1.751 54.751 53.050 -0.085 0.000 0.864 213 N CB -0.045 38.418 38.487 -0.040 0.000 1.006 213 N HN 0.164 nan 8.380 nan 0.000 0.430 214 A N 0.164 122.932 122.820 -0.087 0.000 2.024 214 A HA -0.143 4.216 4.320 0.065 0.000 0.220 214 A C 1.905 179.461 177.584 -0.047 0.000 1.164 214 A CA 1.431 53.437 52.037 -0.052 0.000 0.643 214 A CB -0.329 18.647 19.000 -0.040 0.000 0.806 214 A HN 0.421 nan 8.150 nan 0.000 0.451 215 K N -0.445 119.914 120.400 -0.068 0.000 2.393 215 K HA 0.058 4.417 4.320 0.065 0.000 0.193 215 K C -0.169 176.426 176.600 -0.008 0.000 1.026 215 K CA 0.175 56.438 56.287 -0.040 0.000 1.064 215 K CB 0.097 32.565 32.500 -0.053 0.000 0.833 215 K HN 0.307 nan 8.250 nan 0.000 0.521 216 T N 1.000 115.547 114.554 -0.012 0.000 2.901 216 T HA 0.068 4.457 4.350 0.065 0.000 0.301 216 T C 1.279 176.004 174.700 0.041 0.000 1.012 216 T CA -0.185 61.923 62.100 0.013 0.000 1.135 216 T CB 1.766 70.592 68.868 -0.069 0.000 0.936 216 T HN -0.187 nan 8.240 nan 0.000 0.539 217 V N 2.836 122.810 119.914 0.100 0.000 2.911 217 V HA 0.171 4.330 4.120 0.065 0.000 0.237 217 V C 0.985 177.161 176.094 0.136 0.000 1.156 217 V CA 0.168 62.535 62.300 0.111 0.000 1.180 217 V CB 0.153 32.063 31.823 0.146 0.000 0.932 217 V HN 0.721 nan 8.190 nan 0.000 0.483 218 I N 2.796 123.479 120.570 0.189 0.000 2.587 218 I HA 0.062 4.271 4.170 0.065 0.000 0.284 218 I C 1.027 177.288 176.117 0.240 0.000 1.134 218 I CA 0.557 61.972 61.300 0.191 0.000 1.410 218 I CB 0.448 38.553 38.000 0.174 0.000 1.392 218 I HN 0.329 nan 8.210 nan 0.000 0.545 219 N N 4.510 123.306 118.700 0.160 0.000 2.376 219 N HA -0.039 4.740 4.740 0.065 0.000 0.177 219 N C 0.500 176.122 175.510 0.187 0.000 1.024 219 N CA 0.584 53.725 53.050 0.150 0.000 0.893 219 N CB 0.500 39.035 38.487 0.080 0.000 0.980 219 N HN 0.653 nan 8.380 nan 0.000 0.439 220 Q N 0.462 120.339 119.800 0.127 0.000 2.284 220 Q HA 0.417 4.796 4.340 0.065 0.000 0.269 220 Q C -2.091 173.877 176.000 -0.052 0.000 1.026 220 Q CA -0.439 55.400 55.803 0.061 0.000 0.831 220 Q CB 2.432 31.189 28.738 0.033 0.000 1.322 220 Q HN -0.105 nan 8.270 nan 0.000 0.419 221 V N 2.841 122.660 119.914 -0.157 0.000 2.656 221 V HA 0.723 4.882 4.120 0.065 0.000 0.307 221 V C -1.278 174.681 176.094 -0.225 0.000 1.051 221 V CA -0.026 62.111 62.300 -0.272 0.000 0.893 221 V CB 2.368 33.915 31.823 -0.461 0.000 0.999 221 V HN 0.900 nan 8.190 nan 0.000 0.426 222 T N 6.459 120.858 114.554 -0.258 0.000 2.829 222 T HA 0.605 4.994 4.350 0.065 0.000 0.280 222 T C -1.411 173.104 174.700 -0.308 0.000 0.999 222 T CA 0.032 62.031 62.100 -0.169 0.000 0.983 222 T CB 1.045 69.854 68.868 -0.099 0.000 0.968 222 T HN 0.566 nan 8.240 nan 0.000 0.446 223 Y N 2.442 122.675 120.300 -0.112 0.000 2.328 223 Y HA 0.552 5.139 4.550 0.062 0.000 0.337 223 Y C 0.123 175.968 175.900 -0.092 0.000 0.966 223 Y CA -0.910 57.119 58.100 -0.118 0.000 1.136 223 Y CB 0.944 39.309 38.460 -0.158 0.000 1.170 223 Y HN 0.387 nan 8.280 nan 0.000 0.470 224 L N 5.877 127.122 121.223 0.036 0.000 2.352 224 L HA 0.531 4.910 4.340 0.065 0.000 0.269 224 L C -1.994 174.865 176.870 -0.018 0.000 1.034 224 L CA -1.997 52.849 54.840 0.009 0.000 0.806 224 L CB 1.843 43.895 42.059 -0.012 0.000 1.244 224 L HN 0.417 nan 8.230 nan 0.000 0.447 225 P HA 0.283 nan 4.420 nan 0.000 0.253 225 P C -0.436 176.816 177.300 -0.080 0.000 1.863 225 P CA -0.055 63.007 63.100 -0.063 0.000 1.145 225 P CB 0.001 31.697 31.700 -0.005 0.000 1.666 226 I N 1.056 121.575 120.570 -0.084 0.000 2.337 226 I HA 0.067 4.276 4.170 0.065 0.000 0.291 226 I C 1.623 177.682 176.117 -0.097 0.000 1.046 226 I CA 0.019 61.282 61.300 -0.063 0.000 1.324 226 I CB 1.083 39.063 38.000 -0.032 0.000 1.409 226 I HN 0.007 nan 8.210 nan 0.000 0.494 227 S N 2.276 117.929 115.700 -0.078 0.000 2.501 227 S HA -0.015 4.494 4.470 0.065 0.000 0.220 227 S C 1.017 175.594 174.600 -0.039 0.000 0.997 227 S CA -0.306 57.845 58.200 -0.082 0.000 0.919 227 S CB 0.109 63.277 63.200 -0.054 0.000 0.778 227 S HN 0.592 nan 8.310 nan 0.000 0.523 228 S N 1.370 117.057 115.700 -0.021 0.000 2.430 228 S HA 0.236 4.745 4.470 0.065 0.000 0.282 228 S C 0.687 175.280 174.600 -0.011 0.000 1.186 228 S CA -0.514 57.681 58.200 -0.009 0.000 1.060 228 S CB 0.643 63.843 63.200 0.000 0.000 0.966 228 S HN 0.361 nan 8.310 nan 0.000 0.501 229 E N 3.563 123.753 120.200 -0.016 0.000 2.153 229 E HA -0.085 4.305 4.350 0.065 0.000 0.194 229 E C 1.910 178.505 176.600 -0.007 0.000 0.988 229 E CA 1.053 57.446 56.400 -0.011 0.000 0.811 229 E CB -0.170 29.511 29.700 -0.032 0.000 0.746 229 E HN 0.580 nan 8.360 nan 0.000 0.466 230 V N 0.714 120.624 119.914 -0.006 0.000 2.261 230 V HA -0.298 3.862 4.120 0.065 0.000 0.246 230 V C 2.144 178.243 176.094 0.009 0.000 1.047 230 V CA 2.287 64.588 62.300 0.002 0.000 1.015 230 V CB -0.843 30.981 31.823 0.002 0.000 0.642 230 V HN 0.351 nan 8.190 nan 0.000 0.446 231 T N -0.560 113.999 114.554 0.009 0.000 2.759 231 T HA -0.229 4.160 4.350 0.065 0.000 0.269 231 T C 1.763 176.475 174.700 0.021 0.000 1.042 231 T CA 1.730 63.838 62.100 0.014 0.000 1.140 231 T CB -0.403 68.470 68.868 0.008 0.000 0.864 231 T HN 0.541 nan 8.240 nan 0.000 0.455 232 D N 0.980 121.390 120.400 0.016 0.000 2.084 232 D HA -0.091 4.588 4.640 0.065 0.000 0.194 232 D C 2.180 178.507 176.300 0.045 0.000 0.990 232 D CA 0.842 54.858 54.000 0.026 0.000 0.826 232 D CB -0.501 40.310 40.800 0.018 0.000 0.971 232 D HN 0.185 nan 8.370 nan 0.000 0.453 233 V N 1.199 121.125 119.914 0.019 0.000 2.332 233 V HA -0.254 3.905 4.120 0.065 0.000 0.248 233 V C 2.261 178.408 176.094 0.088 0.000 1.055 233 V CA 1.799 64.114 62.300 0.024 0.000 1.038 233 V CB -0.656 31.161 31.823 -0.010 0.000 0.651 233 V HN 0.246 nan 8.190 nan 0.000 0.450 234 N N 0.423 119.158 118.700 0.059 0.000 2.104 234 N HA -0.163 4.616 4.740 0.065 0.000 0.190 234 N C 1.948 177.500 175.510 0.069 0.000 1.024 234 N CA 1.481 54.565 53.050 0.057 0.000 0.853 234 N CB -0.363 38.145 38.487 0.034 0.000 1.008 234 N HN 0.487 nan 8.380 nan 0.000 0.424 235 R N -0.808 119.733 120.500 0.070 0.000 2.236 235 R HA -0.024 4.355 4.340 0.065 0.000 0.208 235 R C 1.754 178.103 176.300 0.082 0.000 1.036 235 R CA 0.275 56.410 56.100 0.059 0.000 1.001 235 R CB -0.155 30.169 30.300 0.040 0.000 0.896 235 R HN 0.344 nan 8.270 nan 0.000 0.464 236 Y N 1.369 121.657 120.300 -0.020 0.000 2.184 236 Y HA -0.081 4.506 4.550 0.063 0.000 0.290 236 Y C 1.942 177.831 175.900 -0.019 0.000 1.129 236 Y CA 1.314 59.394 58.100 -0.034 0.000 1.144 236 Y CB 0.130 38.553 38.460 -0.061 0.000 0.995 236 Y HN -0.209 nan 8.280 nan 0.000 0.513 237 R N -0.031 120.579 120.500 0.183 0.000 2.189 237 R HA -0.090 4.289 4.340 0.065 0.000 0.223 237 R C 2.390 178.696 176.300 0.009 0.000 1.092 237 R CA 1.208 57.356 56.100 0.079 0.000 0.989 237 R CB -0.438 29.933 30.300 0.120 0.000 0.876 237 R HN 0.488 nan 8.270 nan 0.000 0.457 238 S N -0.956 114.752 115.700 0.014 0.000 2.489 238 S HA 0.053 4.562 4.470 0.065 0.000 0.228 238 S C 1.508 176.107 174.600 -0.003 0.000 0.995 238 S CA 0.796 59.001 58.200 0.008 0.000 0.934 238 S CB 0.513 63.721 63.200 0.013 0.000 0.771 238 S HN 0.494 nan 8.310 nan 0.000 0.522 239 G N 0.900 109.683 108.800 -0.028 0.000 2.253 239 G HA2 -0.261 3.738 3.960 0.065 0.000 0.209 239 G HA3 -0.261 3.738 3.960 0.065 0.000 0.209 239 G C 0.657 175.557 174.900 0.000 0.000 0.997 239 G CA 0.422 45.521 45.100 -0.002 0.000 0.640 239 G HN 0.503 nan 8.290 nan 0.000 0.496 240 E N 0.026 120.222 120.200 -0.007 0.000 2.072 240 E HA 0.086 4.476 4.350 0.065 0.000 0.191 240 E C 0.892 177.490 176.600 -0.003 0.000 0.985 240 E CA 0.549 56.949 56.400 -0.000 0.000 0.801 240 E CB -0.038 29.664 29.700 0.004 0.000 0.750 240 E HN 0.601 nan 8.360 nan 0.000 0.452 241 I N 1.674 122.238 120.570 -0.010 0.000 2.353 241 I HA 0.046 4.255 4.170 0.065 0.000 0.293 241 I C 0.388 176.477 176.117 -0.046 0.000 0.992 241 I CA -0.531 60.773 61.300 0.006 0.000 1.268 241 I CB 1.513 39.560 38.000 0.079 0.000 1.387 241 I HN 0.011 nan 8.210 nan 0.000 0.478 242 D N 5.315 125.698 120.400 -0.030 0.000 2.277 242 D HA 0.155 4.835 4.640 0.065 0.000 0.209 242 D C 0.228 176.517 176.300 -0.017 0.000 0.970 242 D CA 1.300 55.247 54.000 -0.087 0.000 0.874 242 D CB 0.553 41.332 40.800 -0.034 0.000 0.982 242 D HN 0.408 nan 8.370 nan 0.000 0.504 243 M N 0.854 120.454 119.600 0.001 0.000 2.165 243 M HA 0.159 4.678 4.480 0.065 0.000 0.283 243 M C -0.212 176.055 176.300 -0.055 0.000 0.978 243 M CA -0.448 54.810 55.300 -0.070 0.000 0.948 243 M CB 2.657 35.123 32.600 -0.223 0.000 1.599 243 M HN -0.210 nan 8.290 nan 0.000 0.450 244 T N -0.523 113.964 114.554 -0.111 0.000 2.726 244 T HA 0.288 4.677 4.350 0.065 0.000 0.294 244 T C -0.178 174.489 174.700 -0.054 0.000 1.013 244 T CA -0.283 61.767 62.100 -0.082 0.000 0.996 244 T CB 0.896 69.655 68.868 -0.181 0.000 1.016 244 T HN 0.478 nan 8.240 nan 0.000 0.529 245 Y N 1.750 121.978 120.300 -0.122 0.000 2.281 245 Y HA 0.268 4.859 4.550 0.067 0.000 0.337 245 Y C 0.932 176.765 175.900 -0.112 0.000 1.304 245 Y CA -1.037 56.996 58.100 -0.111 0.000 1.465 245 Y CB 0.479 38.880 38.460 -0.099 0.000 1.350 245 Y HN 0.803 nan 8.280 nan 0.000 0.575 246 N N 2.489 120.652 118.700 -0.895 0.000 3.271 246 N HA 0.165 4.944 4.740 0.065 0.000 0.303 246 N C -1.810 173.459 175.510 -0.401 0.000 1.415 246 N CA -0.304 52.421 53.050 -0.541 0.000 1.159 246 N CB -0.596 37.604 38.487 -0.479 0.000 1.432 246 N HN 0.377 nan 8.380 nan 0.000 0.521 247 N N 0.934 119.508 118.700 -0.209 0.000 2.480 247 N HA 0.334 5.114 4.740 0.065 0.000 0.289 247 N C -0.928 174.545 175.510 -0.063 0.000 1.073 247 N CA -0.279 52.757 53.050 -0.024 0.000 0.885 247 N CB 1.475 40.027 38.487 0.109 0.000 1.421 247 N HN 0.218 nan 8.380 nan 0.000 0.503 248 M N 2.483 122.009 119.600 -0.124 0.000 2.404 248 M HA 0.487 5.006 4.480 0.065 0.000 0.338 248 M C -2.314 173.912 176.300 -0.122 0.000 1.150 248 M CA -2.145 53.076 55.300 -0.131 0.000 1.016 248 M CB 1.684 34.135 32.600 -0.248 0.000 1.672 248 M HN 0.179 nan 8.290 nan 0.000 0.448 249 P HA 0.249 nan 4.420 nan 0.000 0.280 249 P C 0.588 177.876 177.300 -0.020 0.000 1.244 249 P CA -0.115 62.963 63.100 -0.038 0.000 0.784 249 P CB 0.978 32.673 31.700 -0.008 0.000 0.913 250 I N 1.767 122.309 120.570 -0.047 0.000 2.315 250 I HA -0.251 3.958 4.170 0.065 0.000 0.248 250 I C 2.010 178.131 176.117 0.006 0.000 1.117 250 I CA 1.519 62.800 61.300 -0.032 0.000 1.404 250 I CB -0.350 37.614 38.000 -0.060 0.000 1.071 250 I HN 0.334 nan 8.210 nan 0.000 0.419 251 E N 0.741 120.941 120.200 0.000 0.000 2.085 251 E HA -0.189 4.200 4.350 0.065 0.000 0.194 251 E C 1.999 178.610 176.600 0.018 0.000 0.994 251 E CA 1.388 57.791 56.400 0.005 0.000 0.801 251 E CB -0.082 29.618 29.700 0.000 0.000 0.743 251 E HN 0.462 nan 8.360 nan 0.000 0.453 252 L N -1.366 119.878 121.223 0.035 0.000 2.575 252 L HA 0.171 4.550 4.340 0.065 0.000 0.228 252 L C 1.741 178.642 176.870 0.052 0.000 1.075 252 L CA -0.250 54.608 54.840 0.031 0.000 0.867 252 L CB -0.062 42.010 42.059 0.022 0.000 1.097 252 L HN 0.067 nan 8.230 nan 0.000 0.485 253 F N 1.940 121.851 119.950 -0.065 0.000 2.087 253 F HA -0.303 4.261 4.527 0.062 0.000 0.299 253 F C 2.667 178.428 175.800 -0.065 0.000 1.100 253 F CA 1.826 59.782 58.000 -0.073 0.000 1.226 253 F CB -0.037 38.914 39.000 -0.083 0.000 0.983 253 F HN 0.082 nan 8.300 nan 0.000 0.479 254 Q N 0.625 120.403 119.800 -0.036 0.000 2.096 254 Q HA -0.214 4.165 4.340 0.065 0.000 0.204 254 Q C 2.168 178.058 176.000 -0.183 0.000 0.982 254 Q CA 1.913 57.632 55.803 -0.139 0.000 0.850 254 Q CB -0.635 28.084 28.738 -0.031 0.000 0.901 254 Q HN 0.462 nan 8.270 nan 0.000 0.422 255 K N 0.105 120.433 120.400 -0.120 0.000 2.057 255 K HA -0.120 4.239 4.320 0.065 0.000 0.207 255 K C 2.069 178.581 176.600 -0.146 0.000 1.049 255 K CA 0.882 57.107 56.287 -0.103 0.000 0.931 255 K CB -0.162 32.302 32.500 -0.060 0.000 0.714 255 K HN 0.020 nan 8.250 nan 0.000 0.440 256 L N 1.489 122.595 121.223 -0.194 0.000 2.042 256 L HA -0.187 4.192 4.340 0.065 0.000 0.210 256 L C 2.192 178.890 176.870 -0.287 0.000 1.076 256 L CA 1.757 56.463 54.840 -0.223 0.000 0.749 256 L CB -0.958 40.958 42.059 -0.239 0.000 0.893 256 L HN 0.040 nan 8.230 nan 0.000 0.432 257 K N -0.266 119.870 120.400 -0.440 0.000 2.211 257 K HA -0.117 4.243 4.320 0.065 0.000 0.203 257 K C 1.912 178.387 176.600 -0.208 0.000 1.050 257 K CA 1.140 57.209 56.287 -0.364 0.000 0.945 257 K CB 0.087 32.319 32.500 -0.447 0.000 0.732 257 K HN 0.088 nan 8.250 nan 0.000 0.451 258 K N -0.022 120.273 120.400 -0.174 0.000 2.211 258 K HA 0.021 4.380 4.320 0.065 0.000 0.201 258 K C 1.797 178.344 176.600 -0.087 0.000 1.052 258 K CA 0.908 57.129 56.287 -0.111 0.000 0.973 258 K CB 0.193 32.638 32.500 -0.092 0.000 0.766 258 K HN 0.283 nan 8.250 nan 0.000 0.466 259 E N 0.569 120.715 120.200 -0.091 0.000 2.086 259 E HA 0.029 4.418 4.350 0.065 0.000 0.190 259 E C 0.699 177.267 176.600 -0.054 0.000 0.975 259 E CA 0.643 57.007 56.400 -0.061 0.000 0.813 259 E CB 0.335 30.004 29.700 -0.050 0.000 0.768 259 E HN 0.273 nan 8.360 nan 0.000 0.457 260 I N -2.934 117.593 120.570 -0.071 0.000 2.948 260 I HA 0.299 4.508 4.170 0.065 0.000 0.308 260 I C -2.338 173.732 176.117 -0.078 0.000 1.478 260 I CA -1.708 59.559 61.300 -0.055 0.000 0.843 260 I CB 1.279 39.264 38.000 -0.025 0.000 2.100 260 I HN -0.196 nan 8.210 nan 0.000 0.625 261 P HA -0.201 nan 4.420 nan 0.000 0.216 261 P C 0.857 178.115 177.300 -0.070 0.000 1.157 261 P CA 1.675 64.723 63.100 -0.087 0.000 0.880 261 P CB 0.021 31.679 31.700 -0.070 0.000 0.791 262 N N -0.157 118.511 118.700 -0.054 0.000 2.453 262 N HA -0.106 4.673 4.740 0.065 0.000 0.183 262 N C 1.515 176.992 175.510 -0.055 0.000 1.041 262 N CA 0.871 53.894 53.050 -0.046 0.000 0.900 262 N CB -0.380 38.086 38.487 -0.036 0.000 0.961 262 N HN 0.455 nan 8.380 nan 0.000 0.443 263 E N -0.226 119.935 120.200 -0.064 0.000 2.452 263 E HA 0.100 4.489 4.350 0.065 0.000 0.197 263 E C -0.232 176.307 176.600 -0.101 0.000 1.022 263 E CA -0.030 56.327 56.400 -0.072 0.000 0.890 263 E CB 0.753 30.439 29.700 -0.024 0.000 0.918 263 E HN -0.028 nan 8.360 nan 0.000 0.496 264 V N 3.736 123.592 119.914 -0.096 0.000 2.372 264 V HA 0.120 4.279 4.120 0.065 0.000 0.261 264 V C 0.110 176.183 176.094 -0.036 0.000 1.055 264 V CA -0.248 62.000 62.300 -0.085 0.000 0.930 264 V CB 0.298 32.048 31.823 -0.120 0.000 1.031 264 V HN 0.116 nan 8.190 nan 0.000 0.479 265 R N 4.139 124.626 120.500 -0.021 0.000 2.265 265 R HA 0.604 4.983 4.340 0.065 0.000 0.319 265 R C -0.934 175.379 176.300 0.022 0.000 1.006 265 R CA -0.514 55.596 56.100 0.016 0.000 0.880 265 R CB 1.678 32.031 30.300 0.088 0.000 1.077 265 R HN 0.428 nan 8.270 nan 0.000 0.454 266 V N 4.241 124.165 119.914 0.017 0.000 2.447 266 V HA 0.329 4.489 4.120 0.065 0.000 0.292 266 V C -0.483 175.606 176.094 -0.008 0.000 1.021 266 V CA -0.659 61.653 62.300 0.021 0.000 0.850 266 V CB 1.850 33.708 31.823 0.058 0.000 1.005 266 V HN 0.683 nan 8.190 nan 0.000 0.426 267 D N 4.670 125.056 120.400 -0.024 0.000 2.552 267 D HA 0.482 5.161 4.640 0.065 0.000 0.239 267 D C -2.859 173.439 176.300 -0.004 0.000 1.139 267 D CA -1.414 52.563 54.000 -0.038 0.000 0.914 267 D CB 2.937 43.688 40.800 -0.082 0.000 1.461 267 D HN 0.188 nan 8.370 nan 0.000 0.462 268 P HA 0.088 nan 4.420 nan 0.000 0.269 268 P C -0.956 176.469 177.300 0.209 0.000 1.215 268 P CA 0.179 63.309 63.100 0.051 0.000 0.780 268 P CB 0.295 31.987 31.700 -0.014 0.000 0.898 269 Y N 1.527 121.928 120.300 0.167 0.000 2.399 269 Y HA 0.298 4.889 4.550 0.068 0.000 0.327 269 Y C -0.909 175.152 175.900 0.268 0.000 1.111 269 Y CA -1.137 57.065 58.100 0.170 0.000 1.047 269 Y CB 1.169 39.709 38.460 0.134 0.000 1.259 269 Y HN 0.153 nan 8.280 nan 0.000 0.434 270 L N 6.128 127.472 121.223 0.201 0.000 2.480 270 L HA 0.316 4.695 4.340 0.065 0.000 0.243 270 L C -0.819 176.000 176.870 -0.084 0.000 1.315 270 L CA 0.224 55.057 54.840 -0.011 0.000 1.231 270 L CB -0.640 41.404 42.059 -0.025 0.000 1.444 270 L HN 0.548 nan 8.230 nan 0.000 0.409 271 c N -0.465 118.077 118.600 -0.098 0.000 2.797 271 c HA 0.641 5.250 4.570 0.065 0.000 0.306 271 c C 0.325 174.624 174.090 0.349 0.000 1.207 271 c CA -0.682 55.602 56.329 -0.075 0.000 1.507 271 c CB 2.202 44.181 42.510 -0.885 0.000 2.028 271 c HN 0.445 nan 8.230 nan 0.000 0.475 272 T N 1.475 116.322 114.554 0.488 0.000 2.812 272 T HA 0.412 4.801 4.350 0.065 0.000 0.282 272 T C -1.220 173.837 174.700 0.596 0.000 0.990 272 T CA -0.163 62.247 62.100 0.516 0.000 0.960 272 T CB 0.742 69.832 68.868 0.370 0.000 0.948 272 T HN 0.542 nan 8.240 nan 0.000 0.438 273 Y N 4.963 125.307 120.300 0.074 0.000 2.327 273 Y HA 0.552 5.140 4.550 0.064 0.000 0.336 273 Y C -0.749 175.051 175.900 -0.167 0.000 1.035 273 Y CA -0.854 57.081 58.100 -0.275 0.000 1.165 273 Y CB 0.388 38.017 38.460 -1.386 0.000 1.181 273 Y HN 0.703 nan 8.280 nan 0.000 0.494 274 Y N 2.447 122.593 120.300 -0.257 0.000 2.670 274 Y HA 0.590 5.179 4.550 0.064 0.000 0.334 274 Y C -2.407 173.235 175.900 -0.429 0.000 1.185 274 Y CA -2.388 55.600 58.100 -0.187 0.000 1.053 274 Y CB 0.628 39.073 38.460 -0.024 0.000 1.298 274 Y HN 0.396 nan 8.280 nan 0.000 0.459 275 Y N 1.261 121.665 120.300 0.173 0.000 2.353 275 Y HA 0.317 4.907 4.550 0.067 0.000 0.340 275 Y C 0.223 176.207 175.900 0.140 0.000 0.972 275 Y CA -0.822 57.335 58.100 0.096 0.000 1.157 275 Y CB 1.405 40.013 38.460 0.247 0.000 1.157 275 Y HN 0.678 nan 8.280 nan 0.000 0.495 276 E N 4.672 124.921 120.200 0.082 0.000 2.257 276 E HA 0.278 4.668 4.350 0.065 0.000 0.278 276 E C -0.904 175.812 176.600 0.193 0.000 1.049 276 E CA -0.214 56.272 56.400 0.144 0.000 0.876 276 E CB 0.497 30.187 29.700 -0.016 0.000 1.035 276 E HN 0.619 nan 8.360 nan 0.000 0.419 277 I N 4.135 124.757 120.570 0.088 0.000 2.396 277 I HA 0.077 4.286 4.170 0.065 0.000 0.292 277 I C 0.418 176.455 176.117 -0.133 0.000 0.999 277 I CA -0.755 60.486 61.300 -0.098 0.000 1.310 277 I CB 1.100 39.026 38.000 -0.122 0.000 1.404 277 I HN 0.502 nan 8.210 nan 0.000 0.496 278 N N 4.756 123.189 118.700 -0.445 0.000 2.448 278 N HA 0.057 4.836 4.740 0.065 0.000 0.250 278 N C 0.359 175.740 175.510 -0.217 0.000 1.136 278 N CA 0.156 52.886 53.050 -0.532 0.000 0.953 278 N CB 0.137 37.881 38.487 -1.237 0.000 1.251 278 N HN 0.429 nan 8.380 nan 0.000 0.502 279 N N 2.052 120.720 118.700 -0.052 0.000 2.520 279 N HA -0.070 4.709 4.740 0.065 0.000 0.185 279 N C 0.670 176.182 175.510 0.004 0.000 1.068 279 N CA 0.870 53.932 53.050 0.019 0.000 0.911 279 N CB 0.181 38.726 38.487 0.096 0.000 0.961 279 N HN 0.656 nan 8.380 nan 0.000 0.446 280 Q N -0.530 119.247 119.800 -0.039 0.000 2.360 280 Q HA 0.115 4.494 4.340 0.065 0.000 0.202 280 Q C 0.054 176.011 176.000 -0.071 0.000 0.915 280 Q CA 0.360 56.129 55.803 -0.056 0.000 0.943 280 Q CB 0.524 29.210 28.738 -0.087 0.000 1.064 280 Q HN 0.138 nan 8.270 nan 0.000 0.511 281 K N 1.000 121.362 120.400 -0.063 0.000 2.274 281 K HA 0.504 4.863 4.320 0.065 0.000 0.262 281 K C -1.052 175.566 176.600 0.030 0.000 0.961 281 K CA -0.434 55.837 56.287 -0.027 0.000 0.833 281 K CB 1.320 33.788 32.500 -0.053 0.000 1.102 281 K HN -0.007 nan 8.250 nan 0.000 0.436 282 A N 4.756 127.556 122.820 -0.034 0.000 2.462 282 A HA 0.218 4.577 4.320 0.065 0.000 0.243 282 A C -1.719 175.755 177.584 -0.182 0.000 1.076 282 A CA -0.899 51.077 52.037 -0.102 0.000 0.773 282 A CB -0.023 18.930 19.000 -0.078 0.000 1.010 282 A HN 0.673 nan 8.150 nan 0.000 0.493 283 P HA 0.149 nan 4.420 nan 0.000 0.258 283 P C 0.014 176.990 177.300 -0.539 0.000 1.416 283 P CA 0.227 63.081 63.100 -0.410 0.000 0.927 283 P CB -0.042 31.473 31.700 -0.307 0.000 1.444 284 F N 1.554 121.415 119.950 -0.148 0.000 2.811 284 F HA 0.021 4.587 4.527 0.066 0.000 0.301 284 F C 1.773 177.498 175.800 -0.124 0.000 1.151 284 F CA 0.330 58.219 58.000 -0.184 0.000 1.412 284 F CB -0.893 37.958 39.000 -0.248 0.000 1.113 284 F HN 0.048 nan 8.300 nan 0.000 0.579 285 N N -0.905 117.792 118.700 -0.006 0.000 2.398 285 N HA -0.072 4.707 4.740 0.065 0.000 0.188 285 N C -0.328 175.169 175.510 -0.021 0.000 1.122 285 N CA 0.257 53.303 53.050 -0.007 0.000 0.866 285 N CB -0.362 38.112 38.487 -0.022 0.000 0.970 285 N HN 0.088 nan 8.380 nan 0.000 0.462 286 D N 0.611 120.986 120.400 -0.043 0.000 2.329 286 D HA 0.049 4.729 4.640 0.065 0.000 0.232 286 D C 0.882 177.167 176.300 -0.025 0.000 1.088 286 D CA -0.496 53.483 54.000 -0.036 0.000 0.835 286 D CB 2.134 42.907 40.800 -0.046 0.000 1.078 286 D HN -0.161 nan 8.370 nan 0.000 0.495 287 V N 5.801 125.710 119.914 -0.008 0.000 2.568 287 V HA -0.243 3.916 4.120 0.065 0.000 0.253 287 V C 2.086 178.168 176.094 -0.020 0.000 1.072 287 V CA 1.826 64.122 62.300 -0.006 0.000 1.084 287 V CB -0.199 31.630 31.823 0.011 0.000 0.676 287 V HN 0.520 nan 8.190 nan 0.000 0.469 288 R N -0.801 119.689 120.500 -0.017 0.000 2.096 288 R HA -0.096 4.283 4.340 0.065 0.000 0.235 288 R C 2.145 178.419 176.300 -0.043 0.000 1.127 288 R CA 1.559 57.649 56.100 -0.016 0.000 0.968 288 R CB -0.567 29.735 30.300 0.004 0.000 0.861 288 R HN 0.494 nan 8.270 nan 0.000 0.440 289 V N 1.312 121.189 119.914 -0.063 0.000 2.270 289 V HA -0.228 3.932 4.120 0.065 0.000 0.245 289 V C 2.317 178.328 176.094 -0.138 0.000 1.043 289 V CA 1.730 63.948 62.300 -0.137 0.000 1.014 289 V CB -0.495 31.199 31.823 -0.214 0.000 0.645 289 V HN 0.304 nan 8.190 nan 0.000 0.447 290 R N -0.020 120.431 120.500 -0.081 0.000 2.081 290 R HA -0.145 4.234 4.340 0.065 0.000 0.235 290 R C 2.331 178.576 176.300 -0.091 0.000 1.131 290 R CA 1.932 57.992 56.100 -0.067 0.000 0.960 290 R CB -0.957 29.325 30.300 -0.031 0.000 0.856 290 R HN 0.482 nan 8.270 nan 0.000 0.436 291 T N 1.129 115.629 114.554 -0.090 0.000 2.788 291 T HA -0.095 4.294 4.350 0.065 0.000 0.268 291 T C 2.010 176.637 174.700 -0.123 0.000 1.044 291 T CA 1.316 63.342 62.100 -0.123 0.000 1.139 291 T CB -0.192 68.622 68.868 -0.091 0.000 0.867 291 T HN 0.394 nan 8.240 nan 0.000 0.454 292 A N 1.353 124.113 122.820 -0.099 0.000 1.877 292 A HA 0.010 4.369 4.320 0.065 0.000 0.216 292 A C 2.297 179.818 177.584 -0.104 0.000 1.186 292 A CA 1.180 53.165 52.037 -0.088 0.000 0.620 292 A CB -0.858 18.078 19.000 -0.107 0.000 0.822 292 A HN 0.467 nan 8.150 nan 0.000 0.443 293 L N -0.640 120.472 121.223 -0.186 0.000 2.046 293 L HA -0.208 4.171 4.340 0.065 0.000 0.208 293 L C 2.674 179.660 176.870 0.194 0.000 1.077 293 L CA 1.959 56.667 54.840 -0.221 0.000 0.747 293 L CB -0.408 41.416 42.059 -0.391 0.000 0.896 293 L HN 0.497 nan 8.230 nan 0.000 0.432 294 K N 0.643 121.070 120.400 0.046 0.000 2.025 294 K HA -0.163 4.196 4.320 0.065 0.000 0.207 294 K C 2.123 178.662 176.600 -0.102 0.000 1.049 294 K CA 1.266 57.549 56.287 -0.006 0.000 0.933 294 K CB -0.017 32.364 32.500 -0.199 0.000 0.714 294 K HN 0.247 nan 8.250 nan 0.000 0.438 295 L N 0.271 121.394 121.223 -0.166 0.000 2.109 295 L HA -0.054 4.326 4.340 0.065 0.000 0.207 295 L C 2.544 179.480 176.870 0.110 0.000 1.086 295 L CA 0.976 55.746 54.840 -0.116 0.000 0.760 295 L CB -0.397 41.620 42.059 -0.070 0.000 0.910 295 L HN 0.253 nan 8.230 nan 0.000 0.437 296 A N -0.173 122.756 122.820 0.182 0.000 2.066 296 A HA -0.026 4.333 4.320 0.065 0.000 0.218 296 A C 1.249 179.027 177.584 0.324 0.000 1.157 296 A CA 0.134 52.330 52.037 0.266 0.000 0.670 296 A CB -0.383 18.787 19.000 0.283 0.000 0.804 296 A HN 0.298 nan 8.150 nan 0.000 0.453 297 L N 0.834 122.277 121.223 0.367 0.000 2.462 297 L HA 0.108 4.487 4.340 0.065 0.000 0.272 297 L C -0.532 176.412 176.870 0.123 0.000 1.166 297 L CA -0.296 54.617 54.840 0.121 0.000 0.880 297 L CB 0.483 42.603 42.059 0.101 0.000 1.142 297 L HN 0.129 nan 8.230 nan 0.000 0.473 298 D N 4.751 125.186 120.400 0.058 0.000 2.456 298 D HA 0.137 4.816 4.640 0.065 0.000 0.219 298 D C 1.071 177.413 176.300 0.070 0.000 1.126 298 D CA -0.176 53.871 54.000 0.079 0.000 0.890 298 D CB 0.782 41.611 40.800 0.049 0.000 1.025 298 D HN 0.547 nan 8.370 nan 0.000 0.511 299 R N 2.139 122.715 120.500 0.127 0.000 2.120 299 R HA -0.133 4.246 4.340 0.065 0.000 0.234 299 R C 1.438 177.782 176.300 0.073 0.000 1.123 299 R CA 1.342 57.520 56.100 0.130 0.000 0.975 299 R CB 0.043 30.482 30.300 0.231 0.000 0.866 299 R HN 0.400 nan 8.270 nan 0.000 0.446 300 D N 0.591 121.021 120.400 0.050 0.000 2.117 300 D HA -0.120 4.559 4.640 0.065 0.000 0.197 300 D C 1.700 178.001 176.300 0.001 0.000 0.987 300 D CA 1.053 55.063 54.000 0.016 0.000 0.829 300 D CB 0.089 40.890 40.800 0.001 0.000 0.961 300 D HN 0.136 nan 8.370 nan 0.000 0.460 301 I N -0.165 120.406 120.570 0.002 0.000 2.142 301 I HA -0.232 3.977 4.170 0.065 0.000 0.240 301 I C 2.076 178.173 176.117 -0.034 0.000 1.078 301 I CA 0.658 61.949 61.300 -0.016 0.000 1.343 301 I CB -0.207 37.784 38.000 -0.015 0.000 1.046 301 I HN 0.111 nan 8.210 nan 0.000 0.405 302 I N 0.012 120.564 120.570 -0.029 0.000 2.099 302 I HA -0.264 3.945 4.170 0.065 0.000 0.239 302 I C 2.426 178.490 176.117 -0.089 0.000 1.066 302 I CA 1.507 62.778 61.300 -0.049 0.000 1.324 302 I CB -0.508 37.484 38.000 -0.014 0.000 1.037 302 I HN -0.042 nan 8.210 nan 0.000 0.401 303 V N 0.755 120.625 119.914 -0.073 0.000 2.307 303 V HA -0.259 3.900 4.120 0.065 0.000 0.245 303 V C 1.665 177.676 176.094 -0.138 0.000 1.045 303 V CA 2.533 64.740 62.300 -0.154 0.000 1.024 303 V CB -1.017 30.757 31.823 -0.082 0.000 0.651 303 V HN 0.500 nan 8.190 nan 0.000 0.449 304 N N -0.974 117.681 118.700 -0.074 0.000 2.368 304 N HA 0.051 4.830 4.740 0.065 0.000 0.178 304 N C 1.640 177.119 175.510 -0.051 0.000 1.076 304 N CA 0.212 53.227 53.050 -0.058 0.000 0.889 304 N CB 0.192 38.660 38.487 -0.032 0.000 1.040 304 N HN 0.424 nan 8.380 nan 0.000 0.463 305 K N 0.320 120.690 120.400 -0.050 0.000 2.225 305 K HA 0.121 4.480 4.320 0.065 0.000 0.204 305 K C 1.986 178.555 176.600 -0.053 0.000 1.047 305 K CA 0.714 56.976 56.287 -0.042 0.000 0.970 305 K CB -0.084 32.398 32.500 -0.031 0.000 0.939 305 K HN 0.041 nan 8.250 nan 0.000 0.472 306 V N 1.014 120.888 119.914 -0.067 0.000 2.649 306 V HA -0.053 4.107 4.120 0.065 0.000 0.248 306 V C 2.026 178.061 176.094 -0.099 0.000 1.054 306 V CA 1.684 63.940 62.300 -0.074 0.000 1.073 306 V CB 0.138 31.918 31.823 -0.073 0.000 0.699 306 V HN 0.145 nan 8.190 nan 0.000 0.463 307 K N 0.934 121.249 120.400 -0.142 0.000 2.161 307 K HA 0.155 4.514 4.320 0.065 0.000 0.205 307 K C 1.223 177.713 176.600 -0.185 0.000 1.035 307 K CA 1.027 57.192 56.287 -0.205 0.000 0.970 307 K CB -0.315 31.988 32.500 -0.329 0.000 0.866 307 K HN 0.507 nan 8.250 nan 0.000 0.461 308 N N 1.216 119.814 118.700 -0.170 0.000 2.686 308 N HA -0.214 4.565 4.740 0.065 0.000 0.261 308 N C -0.785 174.679 175.510 -0.076 0.000 1.001 308 N CA 0.687 53.674 53.050 -0.104 0.000 0.764 308 N CB -0.572 37.894 38.487 -0.035 0.000 0.898 308 N HN 0.563 nan 8.380 nan 0.000 0.544 309 Q N -0.722 118.949 119.800 -0.215 0.000 2.159 309 Q HA 0.244 4.623 4.340 0.065 0.000 0.217 309 Q C 1.310 177.219 176.000 -0.153 0.000 0.818 309 Q CA 0.447 56.078 55.803 -0.286 0.000 1.008 309 Q CB 0.816 29.096 28.738 -0.764 0.000 1.148 309 Q HN 0.605 nan 8.270 nan 0.000 0.491 310 G N 0.859 109.592 108.800 -0.112 0.000 2.179 310 G HA2 -0.172 3.827 3.960 0.065 0.000 0.220 310 G HA3 -0.172 3.827 3.960 0.065 0.000 0.220 310 G C -0.167 174.682 174.900 -0.085 0.000 0.990 310 G CA -0.295 44.768 45.100 -0.062 0.000 0.646 310 G HN 0.299 nan 8.290 nan 0.000 0.517 311 D N 0.105 120.386 120.400 -0.197 0.000 2.378 311 D HA 0.404 5.084 4.640 0.065 0.000 0.238 311 D C 0.145 176.423 176.300 -0.036 0.000 1.180 311 D CA 0.279 54.174 54.000 -0.176 0.000 0.895 311 D CB 1.306 41.702 40.800 -0.673 0.000 1.192 311 D HN 0.085 nan 8.370 nan 0.000 0.438 312 L N 2.009 123.309 121.223 0.130 0.000 2.322 312 L HA 0.312 4.691 4.340 0.065 0.000 0.281 312 L C -2.289 174.699 176.870 0.196 0.000 1.014 312 L CA -2.010 52.954 54.840 0.207 0.000 0.815 312 L CB 1.505 43.769 42.059 0.341 0.000 1.247 312 L HN 0.058 nan 8.230 nan 0.000 0.421 313 P HA 0.131 nan 4.420 nan 0.000 0.264 313 P C -1.078 176.281 177.300 0.099 0.000 1.183 313 P CA -0.050 63.195 63.100 0.242 0.000 0.763 313 P CB 0.515 32.448 31.700 0.388 0.000 0.807 314 A N 3.386 126.085 122.820 -0.202 0.000 2.325 314 A HA 0.576 4.935 4.320 0.065 0.000 0.333 314 A C -0.398 177.004 177.584 -0.303 0.000 1.155 314 A CA -0.412 51.178 52.037 -0.745 0.000 0.814 314 A CB 0.380 18.730 19.000 -1.084 0.000 1.206 314 A HN 0.691 nan 8.150 nan 0.000 0.482 315 Y N 0.106 120.189 120.300 -0.362 0.000 2.672 315 Y HA 0.479 5.068 4.550 0.066 0.000 0.252 315 Y C 0.243 176.101 175.900 -0.069 0.000 1.132 315 Y CA -0.161 57.728 58.100 -0.352 0.000 1.228 315 Y CB -0.429 37.322 38.460 -1.181 0.000 1.310 315 Y HN 0.668 nan 8.280 nan 0.000 0.549 316 S N -1.783 113.762 115.700 -0.259 0.000 2.671 316 S HA 0.357 4.866 4.470 0.065 0.000 0.277 316 S C -0.367 174.224 174.600 -0.016 0.000 1.165 316 S CA -0.522 57.624 58.200 -0.089 0.000 0.822 316 S CB 1.453 64.531 63.200 -0.202 0.000 1.150 316 S HN 0.113 nan 8.310 nan 0.000 0.479 317 Y N 1.898 122.089 120.300 -0.182 0.000 2.190 317 Y HA 0.301 4.892 4.550 0.068 0.000 0.290 317 Y C 1.160 176.870 175.900 -0.317 0.000 1.115 317 Y CA 1.156 59.125 58.100 -0.219 0.000 1.107 317 Y CB -0.880 37.441 38.460 -0.232 0.000 1.033 317 Y HN 0.718 nan 8.280 nan 0.000 0.502 318 T N 5.261 119.501 114.554 -0.524 0.000 2.867 318 T HA 0.117 4.506 4.350 0.065 0.000 0.297 318 T C -2.579 171.568 174.700 -0.923 0.000 0.989 318 T CA -0.775 60.691 62.100 -1.056 0.000 1.159 318 T CB 0.644 69.148 68.868 -0.606 0.000 0.928 318 T HN 0.097 nan 8.240 nan 0.000 0.538 319 P HA 0.132 nan 4.420 nan 0.000 0.268 319 P C -1.753 174.899 177.300 -1.080 0.000 1.204 319 P CA -1.483 60.874 63.100 -1.238 0.000 0.768 319 P CB 0.233 31.113 31.700 -1.366 0.000 0.842 320 P HA -0.122 nan 4.420 nan 0.000 0.230 320 P C 0.385 177.523 177.300 -0.270 0.000 1.158 320 P CA 1.391 64.219 63.100 -0.454 0.000 0.769 320 P CB -0.375 31.173 31.700 -0.253 0.000 0.807 321 Y N -2.717 117.395 120.300 -0.312 0.000 2.524 321 Y HA 0.418 5.006 4.550 0.062 0.000 0.266 321 Y C 0.459 176.262 175.900 -0.162 0.000 1.180 321 Y CA -1.038 56.951 58.100 -0.185 0.000 1.244 321 Y CB -1.551 36.821 38.460 -0.147 0.000 1.125 321 Y HN -0.340 nan 8.280 nan 0.000 0.524 322 T N 2.310 116.591 114.554 -0.454 0.000 2.940 322 T HA -0.086 4.303 4.350 0.065 0.000 0.309 322 T C -0.150 174.453 174.700 -0.162 0.000 1.056 322 T CA -0.086 61.817 62.100 -0.329 0.000 1.137 322 T CB 0.329 68.931 68.868 -0.442 0.000 0.976 322 T HN 0.289 nan 8.240 nan 0.000 0.547 323 D N 1.178 121.522 120.400 -0.092 0.000 2.412 323 D HA 0.213 4.893 4.640 0.065 0.000 0.257 323 D C 1.273 177.546 176.300 -0.045 0.000 1.217 323 D CA 1.334 55.315 54.000 -0.032 0.000 0.897 323 D CB -0.105 40.699 40.800 0.006 0.000 1.132 323 D HN 0.858 nan 8.370 nan 0.000 0.493 324 G N 2.488 111.283 108.800 -0.008 0.000 2.179 324 G HA2 -0.108 3.891 3.960 0.065 0.000 0.220 324 G HA3 -0.108 3.891 3.960 0.065 0.000 0.220 324 G C 0.304 175.231 174.900 0.046 0.000 0.990 324 G CA 0.173 45.297 45.100 0.039 0.000 0.646 324 G HN 0.892 nan 8.290 nan 0.000 0.517 325 A N 0.230 123.025 122.820 -0.042 0.000 2.301 325 A HA 0.765 5.124 4.320 0.065 0.000 0.298 325 A C 0.381 177.952 177.584 -0.022 0.000 1.185 325 A CA 0.019 52.022 52.037 -0.057 0.000 0.830 325 A CB 0.578 19.464 19.000 -0.190 0.000 1.112 325 A HN 0.324 nan 8.150 nan 0.000 0.508 326 K N 3.385 123.790 120.400 0.008 0.000 3.029 326 K HA 0.305 4.664 4.320 0.065 0.000 0.169 326 K C -1.116 175.495 176.600 0.018 0.000 1.090 326 K CA -0.029 56.265 56.287 0.012 0.000 0.883 326 K CB 0.740 33.250 32.500 0.018 0.000 1.080 326 K HN 0.687 nan 8.250 nan 0.000 0.613 327 L N 1.212 122.446 121.223 0.019 0.000 2.395 327 L HA 0.336 4.715 4.340 0.065 0.000 0.269 327 L C 0.323 177.217 176.870 0.040 0.000 1.133 327 L CA -0.979 53.890 54.840 0.047 0.000 0.812 327 L CB 1.034 43.139 42.059 0.077 0.000 1.125 327 L HN -0.016 nan 8.230 nan 0.000 0.452 328 V N 2.000 121.928 119.914 0.024 0.000 2.385 328 V HA 0.086 4.245 4.120 0.065 0.000 0.269 328 V C 0.407 176.416 176.094 -0.141 0.000 1.043 328 V CA -0.520 61.755 62.300 -0.043 0.000 0.906 328 V CB 1.147 32.955 31.823 -0.026 0.000 0.995 328 V HN 0.748 nan 8.190 nan 0.000 0.467 329 E N 8.322 128.328 120.200 -0.324 0.000 2.299 329 E HA 0.194 4.583 4.350 0.065 0.000 0.272 329 E C -2.200 174.108 176.600 -0.487 0.000 1.043 329 E CA -1.458 54.492 56.400 -0.750 0.000 0.895 329 E CB 0.991 30.214 29.700 -0.794 0.000 1.011 329 E HN 0.459 nan 8.360 nan 0.000 0.432 330 P HA 0.016 nan 4.420 nan 0.000 0.272 330 P C 0.187 177.193 177.300 -0.490 0.000 1.223 330 P CA -0.153 62.692 63.100 -0.425 0.000 0.784 330 P CB 0.888 32.316 31.700 -0.454 0.000 0.923 331 E N 1.490 121.508 120.200 -0.303 0.000 2.118 331 E HA -0.145 4.244 4.350 0.065 0.000 0.195 331 E C 1.881 178.040 176.600 -0.734 0.000 0.992 331 E CA 1.351 57.586 56.400 -0.276 0.000 0.804 331 E CB -0.528 29.182 29.700 0.017 0.000 0.741 331 E HN 0.709 nan 8.360 nan 0.000 0.458 332 W N -0.086 120.606 121.300 -1.014 0.000 2.364 332 W HA -0.168 4.531 4.660 0.065 0.000 0.281 332 W C 1.696 177.858 176.519 -0.594 0.000 1.219 332 W CA 0.308 56.737 57.345 -1.528 0.000 1.220 332 W CB -1.200 27.650 29.460 -1.017 0.000 1.127 332 W HN -0.049 nan 8.180 nan 0.000 0.556 333 F N 2.778 122.108 119.950 -1.034 0.000 2.293 333 F HA -0.021 4.545 4.527 0.065 0.000 0.300 333 F C 2.213 177.838 175.800 -0.292 0.000 1.086 333 F CA 1.703 59.259 58.000 -0.740 0.000 1.375 333 F CB -0.219 38.173 39.000 -1.014 0.000 1.045 333 F HN -0.237 nan 8.300 nan 0.000 0.516 334 K N -0.967 119.286 120.400 -0.244 0.000 2.314 334 K HA -0.065 4.294 4.320 0.065 0.000 0.198 334 K C 0.356 177.012 176.600 0.094 0.000 1.045 334 K CA 0.005 56.230 56.287 -0.105 0.000 0.988 334 K CB -0.159 32.327 32.500 -0.022 0.000 0.783 334 K HN 0.061 nan 8.250 nan 0.000 0.484 335 W N 2.270 123.572 121.300 0.003 0.000 1.979 335 W HA 0.005 4.705 4.660 0.066 0.000 0.359 335 W C 1.222 177.750 176.519 0.015 0.000 1.354 335 W CA -1.119 56.250 57.345 0.040 0.000 1.359 335 W CB -0.543 28.983 29.460 0.111 0.000 1.248 335 W HN -0.057 nan 8.180 nan 0.000 0.641 336 S N -0.058 115.811 115.700 0.282 0.000 2.617 336 S HA 0.115 4.624 4.470 0.065 0.000 0.269 336 S C 0.726 175.442 174.600 0.193 0.000 1.292 336 S CA -0.423 57.871 58.200 0.156 0.000 1.010 336 S CB 1.591 64.844 63.200 0.088 0.000 0.944 336 S HN 0.397 nan 8.310 nan 0.000 0.536 337 Q N 0.534 120.416 119.800 0.137 0.000 2.167 337 Q HA -0.131 4.248 4.340 0.065 0.000 0.202 337 Q C 2.197 178.282 176.000 0.141 0.000 0.970 337 Q CA 1.885 57.779 55.803 0.151 0.000 0.855 337 Q CB -0.495 28.307 28.738 0.107 0.000 0.911 337 Q HN 0.890 nan 8.270 nan 0.000 0.438 338 Q N 0.115 119.975 119.800 0.100 0.000 2.061 338 Q HA -0.261 4.118 4.340 0.065 0.000 0.204 338 Q C 1.965 178.011 176.000 0.077 0.000 0.984 338 Q CA 1.994 57.841 55.803 0.073 0.000 0.846 338 Q CB -0.162 28.601 28.738 0.043 0.000 0.902 338 Q HN 0.382 nan 8.270 nan 0.000 0.421 339 K N 0.001 120.449 120.400 0.080 0.000 2.057 339 K HA -0.156 4.203 4.320 0.065 0.000 0.207 339 K C 2.132 178.832 176.600 0.167 0.000 1.049 339 K CA 1.186 57.489 56.287 0.026 0.000 0.931 339 K CB 0.004 32.437 32.500 -0.112 0.000 0.714 339 K HN 0.148 nan 8.250 nan 0.000 0.440 340 R N 0.316 121.029 120.500 0.354 0.000 2.096 340 R HA -0.072 4.307 4.340 0.065 0.000 0.235 340 R C 2.065 178.502 176.300 0.228 0.000 1.127 340 R CA 1.470 57.815 56.100 0.408 0.000 0.968 340 R CB -0.332 30.194 30.300 0.377 0.000 0.861 340 R HN 0.291 nan 8.270 nan 0.000 0.440 341 N N 1.039 119.838 118.700 0.166 0.000 2.084 341 N HA -0.164 4.615 4.740 0.065 0.000 0.190 341 N C 1.570 177.134 175.510 0.091 0.000 1.030 341 N CA 1.408 54.530 53.050 0.121 0.000 0.849 341 N CB -0.248 38.299 38.487 0.100 0.000 1.012 341 N HN 0.365 nan 8.380 nan 0.000 0.423 342 E N 0.574 120.817 120.200 0.071 0.000 2.058 342 E HA -0.221 4.168 4.350 0.065 0.000 0.194 342 E C 1.787 178.417 176.600 0.051 0.000 0.997 342 E CA 1.143 57.569 56.400 0.042 0.000 0.801 342 E CB -0.083 29.623 29.700 0.010 0.000 0.746 342 E HN 0.333 nan 8.360 nan 0.000 0.450 343 E N 1.101 121.348 120.200 0.078 0.000 2.058 343 E HA -0.220 4.169 4.350 0.065 0.000 0.194 343 E C 1.890 178.542 176.600 0.088 0.000 0.997 343 E CA 1.553 58.016 56.400 0.104 0.000 0.801 343 E CB -0.281 29.553 29.700 0.224 0.000 0.746 343 E HN 0.254 nan 8.360 nan 0.000 0.450 344 A N 0.822 123.694 122.820 0.088 0.000 1.865 344 A HA -0.252 4.107 4.320 0.065 0.000 0.217 344 A C 2.114 179.717 177.584 0.030 0.000 1.191 344 A CA 2.099 54.164 52.037 0.047 0.000 0.623 344 A CB -0.565 18.469 19.000 0.056 0.000 0.826 344 A HN 0.251 nan 8.150 nan 0.000 0.444 345 K N -0.380 120.044 120.400 0.040 0.000 2.063 345 K HA -0.196 4.164 4.320 0.065 0.000 0.208 345 K C 2.247 178.867 176.600 0.035 0.000 1.048 345 K CA 1.671 57.978 56.287 0.034 0.000 0.928 345 K CB -0.197 32.325 32.500 0.037 0.000 0.713 345 K HN 0.531 nan 8.250 nan 0.000 0.442 346 K N 1.398 121.819 120.400 0.035 0.000 2.020 346 K HA -0.172 4.187 4.320 0.065 0.000 0.212 346 K C 2.103 178.724 176.600 0.034 0.000 1.050 346 K CA 1.365 57.671 56.287 0.032 0.000 0.929 346 K CB -0.139 32.380 32.500 0.031 0.000 0.714 346 K HN 0.056 nan 8.250 nan 0.000 0.443 347 L N 0.894 122.137 121.223 0.034 0.000 2.083 347 L HA -0.188 4.192 4.340 0.065 0.000 0.209 347 L C 2.478 179.373 176.870 0.041 0.000 1.083 347 L CA 0.887 55.745 54.840 0.030 0.000 0.752 347 L CB -0.263 41.807 42.059 0.018 0.000 0.899 347 L HN 0.287 nan 8.230 nan 0.000 0.433 348 L N -0.829 120.419 121.223 0.041 0.000 2.072 348 L HA -0.150 4.230 4.340 0.065 0.000 0.205 348 L C 2.830 179.785 176.870 0.142 0.000 1.079 348 L CA 1.120 56.012 54.840 0.087 0.000 0.752 348 L CB -0.600 41.467 42.059 0.012 0.000 0.906 348 L HN 0.259 nan 8.230 nan 0.000 0.436 349 A N 0.036 122.905 122.820 0.081 0.000 1.902 349 A HA -0.241 4.118 4.320 0.065 0.000 0.217 349 A C 2.055 179.664 177.584 0.041 0.000 1.181 349 A CA 1.680 53.755 52.037 0.064 0.000 0.623 349 A CB -0.446 18.578 19.000 0.040 0.000 0.818 349 A HN 0.444 nan 8.150 nan 0.000 0.443 350 E N -0.356 119.865 120.200 0.034 0.000 2.153 350 E HA -0.085 4.304 4.350 0.065 0.000 0.194 350 E C 1.918 178.520 176.600 0.003 0.000 0.988 350 E CA 0.867 57.276 56.400 0.014 0.000 0.811 350 E CB -0.243 29.466 29.700 0.015 0.000 0.746 350 E HN 0.613 nan 8.360 nan 0.000 0.466 351 A N -0.058 122.787 122.820 0.041 0.000 2.235 351 A HA 0.225 4.585 4.320 0.065 0.000 0.208 351 A C 1.643 179.137 177.584 -0.150 0.000 1.172 351 A CA 0.904 52.954 52.037 0.022 0.000 0.786 351 A CB -0.280 18.817 19.000 0.162 0.000 0.804 351 A HN 0.359 nan 8.150 nan 0.000 0.479 352 G N -2.257 106.436 108.800 -0.178 0.000 2.201 352 G HA2 -0.200 3.799 3.960 0.065 0.000 0.212 352 G HA3 -0.200 3.799 3.960 0.065 0.000 0.212 352 G C -0.042 174.599 174.900 -0.432 0.000 0.994 352 G CA -0.109 44.785 45.100 -0.344 0.000 0.644 352 G HN 0.321 nan 8.290 nan 0.000 0.508 353 F N 2.259 122.180 119.950 -0.047 0.000 2.384 353 F HA 0.641 5.207 4.527 0.066 0.000 0.338 353 F C 1.125 176.909 175.800 -0.026 0.000 1.103 353 F CA 0.549 58.525 58.000 -0.039 0.000 1.157 353 F CB 1.716 40.688 39.000 -0.046 0.000 1.167 353 F HN 0.250 nan 8.300 nan 0.000 0.529 354 T N -1.302 113.342 114.554 0.150 0.000 2.716 354 T HA 0.657 5.046 4.350 0.065 0.000 0.286 354 T C 0.714 175.462 174.700 0.081 0.000 1.052 354 T CA -0.336 61.813 62.100 0.082 0.000 1.024 354 T CB 1.300 70.187 68.868 0.032 0.000 1.349 354 T HN 0.516 nan 8.240 nan 0.000 0.525 355 A N 0.127 122.977 122.820 0.051 0.000 1.933 355 A HA -0.007 4.352 4.320 0.065 0.000 0.218 355 A C 1.908 179.517 177.584 0.040 0.000 1.175 355 A CA 2.186 54.248 52.037 0.042 0.000 0.628 355 A CB -1.284 17.734 19.000 0.030 0.000 0.814 355 A HN 0.929 nan 8.150 nan 0.000 0.444 356 D N -0.825 119.595 120.400 0.033 0.000 2.183 356 D HA -0.036 4.644 4.640 0.065 0.000 0.203 356 D C 0.720 177.042 176.300 0.036 0.000 0.969 356 D CA 1.013 55.029 54.000 0.026 0.000 0.842 356 D CB 0.013 40.822 40.800 0.014 0.000 0.957 356 D HN 0.324 nan 8.370 nan 0.000 0.484 357 K N 0.787 121.218 120.400 0.052 0.000 2.762 357 K HA 0.251 4.610 4.320 0.065 0.000 0.180 357 K C -2.555 174.157 176.600 0.186 0.000 1.067 357 K CA -1.540 54.793 56.287 0.077 0.000 0.973 357 K CB 2.278 34.789 32.500 0.018 0.000 1.290 357 K HN 0.189 nan 8.250 nan 0.000 0.604 358 P HA 0.051 nan 4.420 nan 0.000 0.275 358 P C -0.652 176.753 177.300 0.175 0.000 1.266 358 P CA -0.771 62.428 63.100 0.164 0.000 0.793 358 P CB 0.819 32.559 31.700 0.067 0.000 1.074 359 L N 0.674 121.846 121.223 -0.084 0.000 2.265 359 L HA 0.418 4.798 4.340 0.065 0.000 0.288 359 L C -0.589 176.256 176.870 -0.042 0.000 1.058 359 L CA 0.655 55.300 54.840 -0.325 0.000 0.809 359 L CB 0.028 41.591 42.059 -0.828 0.000 1.179 359 L HN 0.263 nan 8.230 nan 0.000 0.429 360 T N 6.832 121.425 114.554 0.066 0.000 2.841 360 T HA 0.729 5.119 4.350 0.065 0.000 0.285 360 T C -0.900 173.925 174.700 0.208 0.000 0.991 360 T CA -0.127 62.004 62.100 0.053 0.000 0.966 360 T CB 0.747 69.633 68.868 0.030 0.000 0.962 360 T HN 0.494 nan 8.240 nan 0.000 0.438 361 F N -0.301 119.686 119.950 0.061 0.000 2.779 361 F HA 0.699 5.265 4.527 0.065 0.000 0.316 361 F C -1.353 174.516 175.800 0.115 0.000 1.164 361 F CA -1.372 56.708 58.000 0.132 0.000 0.924 361 F CB 0.821 40.005 39.000 0.307 0.000 1.348 361 F HN 0.216 nan 8.300 nan 0.000 0.467 362 D N 1.689 122.286 120.400 0.328 0.000 2.225 362 D HA 0.416 5.095 4.640 0.065 0.000 0.249 362 D C -1.061 175.417 176.300 0.296 0.000 1.052 362 D CA -0.049 54.076 54.000 0.209 0.000 0.909 362 D CB 2.525 43.446 40.800 0.201 0.000 1.186 362 D HN 0.690 nan 8.370 nan 0.000 0.431 363 L N 2.755 124.111 121.223 0.222 0.000 2.388 363 L HA 0.274 4.653 4.340 0.065 0.000 0.267 363 L C -1.359 175.700 176.870 0.316 0.000 0.995 363 L CA -0.876 54.139 54.840 0.292 0.000 0.864 363 L CB 1.066 43.266 42.059 0.234 0.000 1.216 363 L HN 0.154 nan 8.230 nan 0.000 0.430 364 L N 6.083 127.495 121.223 0.315 0.000 2.326 364 L HA 0.534 4.913 4.340 0.065 0.000 0.278 364 L C -0.974 176.117 176.870 0.367 0.000 1.092 364 L CA 0.126 55.127 54.840 0.268 0.000 0.810 364 L CB 0.976 43.161 42.059 0.211 0.000 1.153 364 L HN 0.514 nan 8.230 nan 0.000 0.439 365 Y N 2.679 123.041 120.300 0.103 0.000 2.571 365 Y HA 0.553 5.142 4.550 0.065 0.000 0.341 365 Y C -0.875 174.742 175.900 -0.472 0.000 1.076 365 Y CA -1.625 56.392 58.100 -0.139 0.000 1.029 365 Y CB 0.707 39.158 38.460 -0.014 0.000 1.308 365 Y HN 0.717 nan 8.280 nan 0.000 0.461 366 N N 0.810 118.940 118.700 -0.950 0.000 2.514 366 N HA 0.097 4.876 4.740 0.065 0.000 0.277 366 N C -0.621 174.831 175.510 -0.096 0.000 1.126 366 N CA -0.270 52.370 53.050 -0.683 0.000 0.978 366 N CB 1.211 39.263 38.487 -0.724 0.000 1.106 366 N HN 0.798 nan 8.380 nan 0.000 0.461 367 T N 1.328 115.817 114.554 -0.108 0.000 2.656 367 T HA 0.054 4.443 4.350 0.065 0.000 0.258 367 T C 0.273 175.055 174.700 0.136 0.000 1.020 367 T CA 0.620 62.741 62.100 0.036 0.000 1.191 367 T CB -0.463 68.404 68.868 -0.003 0.000 1.004 367 T HN 0.718 nan 8.240 nan 0.000 0.498 368 S N 1.963 117.794 115.700 0.218 0.000 2.606 368 S HA 0.177 4.686 4.470 0.065 0.000 0.290 368 S C 0.313 174.947 174.600 0.056 0.000 1.103 368 S CA -0.859 57.397 58.200 0.094 0.000 0.870 368 S CB 1.303 64.526 63.200 0.039 0.000 1.077 368 S HN 0.571 nan 8.310 nan 0.000 0.448 369 D N 1.786 122.177 120.400 -0.016 0.000 2.084 369 D HA -0.085 4.594 4.640 0.065 0.000 0.196 369 D C 1.927 178.181 176.300 -0.077 0.000 0.985 369 D CA 1.482 55.465 54.000 -0.028 0.000 0.826 369 D CB -0.044 40.734 40.800 -0.036 0.000 0.978 369 D HN 0.439 nan 8.370 nan 0.000 0.456 370 L N 1.415 122.552 121.223 -0.144 0.000 1.989 370 L HA -0.200 4.179 4.340 0.065 0.000 0.211 370 L C 2.250 179.037 176.870 -0.139 0.000 1.071 370 L CA 1.907 56.636 54.840 -0.185 0.000 0.749 370 L CB -0.826 41.068 42.059 -0.274 0.000 0.890 370 L HN 0.100 nan 8.230 nan 0.000 0.431 371 H N -0.234 118.851 119.070 0.026 0.000 2.423 371 H HA -0.123 4.472 4.556 0.065 0.000 0.297 371 H C 2.176 177.287 175.328 -0.362 0.000 1.075 371 H CA 1.467 57.504 56.048 -0.019 0.000 1.342 371 H CB -0.242 29.579 29.762 0.098 0.000 1.395 371 H HN 0.464 nan 8.280 nan 0.000 0.530 372 K N 1.635 121.834 120.400 -0.335 0.000 2.026 372 K HA -0.131 4.229 4.320 0.065 0.000 0.208 372 K C 1.946 178.383 176.600 -0.271 0.000 1.048 372 K CA 1.153 57.103 56.287 -0.561 0.000 0.929 372 K CB 0.113 32.522 32.500 -0.152 0.000 0.713 372 K HN 0.142 nan 8.250 nan 0.000 0.439 373 K N 0.589 120.903 120.400 -0.144 0.000 2.097 373 K HA -0.110 4.250 4.320 0.065 0.000 0.206 373 K C 2.204 178.747 176.600 -0.094 0.000 1.049 373 K CA 1.330 57.557 56.287 -0.099 0.000 0.933 373 K CB -0.108 32.346 32.500 -0.077 0.000 0.717 373 K HN 0.183 nan 8.250 nan 0.000 0.442 374 L N 0.222 121.401 121.223 -0.073 0.000 2.056 374 L HA -0.151 4.228 4.340 0.065 0.000 0.207 374 L C 2.570 179.422 176.870 -0.030 0.000 1.078 374 L CA 1.031 55.852 54.840 -0.032 0.000 0.749 374 L CB -0.537 41.543 42.059 0.034 0.000 0.901 374 L HN 0.187 nan 8.230 nan 0.000 0.433 375 A N 0.287 123.062 122.820 -0.074 0.000 1.933 375 A HA -0.163 4.196 4.320 0.065 0.000 0.218 375 A C 2.213 179.717 177.584 -0.134 0.000 1.175 375 A CA 1.402 53.374 52.037 -0.108 0.000 0.628 375 A CB -0.613 18.258 19.000 -0.213 0.000 0.814 375 A HN 0.341 nan 8.150 nan 0.000 0.444 376 I N -0.284 120.209 120.570 -0.127 0.000 2.179 376 I HA -0.285 3.924 4.170 0.065 0.000 0.242 376 I C 2.986 179.048 176.117 -0.093 0.000 1.088 376 I CA 1.067 62.315 61.300 -0.087 0.000 1.357 376 I CB -0.339 37.621 38.000 -0.068 0.000 1.051 376 I HN 0.361 nan 8.210 nan 0.000 0.409 377 A N 0.363 123.122 122.820 -0.101 0.000 1.877 377 A HA -0.159 4.201 4.320 0.065 0.000 0.216 377 A C 2.437 179.923 177.584 -0.163 0.000 1.186 377 A CA 1.777 53.751 52.037 -0.106 0.000 0.620 377 A CB -1.006 17.938 19.000 -0.093 0.000 0.822 377 A HN 0.235 nan 8.150 nan 0.000 0.443 378 V N -0.124 119.643 119.914 -0.245 0.000 2.343 378 V HA -0.264 3.895 4.120 0.065 0.000 0.247 378 V C 3.060 178.896 176.094 -0.429 0.000 1.051 378 V CA 1.966 63.969 62.300 -0.494 0.000 1.036 378 V CB -1.205 30.175 31.823 -0.738 0.000 0.654 378 V HN 0.630 nan 8.190 nan 0.000 0.451 379 A N -0.748 121.942 122.820 -0.215 0.000 1.902 379 A HA -0.250 4.109 4.320 0.065 0.000 0.217 379 A C 2.569 180.148 177.584 -0.009 0.000 1.181 379 A CA 2.325 54.333 52.037 -0.048 0.000 0.623 379 A CB -0.786 18.189 19.000 -0.041 0.000 0.818 379 A HN 0.502 nan 8.150 nan 0.000 0.443 380 S N -0.476 115.196 115.700 -0.046 0.000 2.368 380 S HA -0.104 4.405 4.470 0.065 0.000 0.224 380 S C 1.926 176.527 174.600 0.002 0.000 1.029 380 S CA 1.361 59.550 58.200 -0.017 0.000 0.988 380 S CB -0.519 62.663 63.200 -0.030 0.000 0.838 380 S HN 0.481 nan 8.310 nan 0.000 0.462 381 I N -0.032 120.512 120.570 -0.043 0.000 2.179 381 I HA -0.168 4.041 4.170 0.065 0.000 0.242 381 I C 2.221 178.398 176.117 0.101 0.000 1.088 381 I CA 1.120 62.407 61.300 -0.021 0.000 1.357 381 I CB -0.406 37.523 38.000 -0.118 0.000 1.051 381 I HN 0.419 nan 8.210 nan 0.000 0.409 382 W N 1.560 122.849 121.300 -0.018 0.000 2.363 382 W HA -0.181 4.519 4.660 0.066 0.000 0.296 382 W C 2.675 179.185 176.519 -0.015 0.000 1.212 382 W CA 1.092 58.431 57.345 -0.010 0.000 1.260 382 W CB -0.759 28.692 29.460 -0.015 0.000 1.131 382 W HN 0.100 nan 8.180 nan 0.000 0.530 383 K N 1.186 121.702 120.400 0.194 0.000 2.002 383 K HA -0.190 4.170 4.320 0.065 0.000 0.209 383 K C 2.045 178.693 176.600 0.079 0.000 1.048 383 K CA 1.940 58.285 56.287 0.096 0.000 0.930 383 K CB -0.684 31.848 32.500 0.053 0.000 0.714 383 K HN -0.097 nan 8.250 nan 0.000 0.438 384 K N -0.192 120.253 120.400 0.075 0.000 2.057 384 K HA -0.097 4.262 4.320 0.065 0.000 0.206 384 K C 1.408 178.051 176.600 0.072 0.000 1.050 384 K CA 1.590 57.913 56.287 0.059 0.000 0.935 384 K CB -0.116 32.411 32.500 0.045 0.000 0.715 384 K HN 0.140 nan 8.250 nan 0.000 0.439 385 N N 0.394 119.156 118.700 0.104 0.000 2.333 385 N HA -0.076 4.703 4.740 0.065 0.000 0.178 385 N C 1.231 176.803 175.510 0.105 0.000 1.018 385 N CA 0.699 53.816 53.050 0.112 0.000 0.882 385 N CB 0.185 38.763 38.487 0.151 0.000 0.984 385 N HN 0.146 nan 8.380 nan 0.000 0.434 386 L N -1.425 119.864 121.223 0.110 0.000 3.039 386 L HA 0.413 4.792 4.340 0.065 0.000 0.269 386 L C 0.713 177.600 176.870 0.029 0.000 1.169 386 L CA 0.419 55.295 54.840 0.059 0.000 0.986 386 L CB 0.081 42.162 42.059 0.036 0.000 1.377 386 L HN 0.199 nan 8.230 nan 0.000 0.575 387 G N 0.721 109.547 108.800 0.043 0.000 2.176 387 G HA2 -0.215 3.784 3.960 0.065 0.000 0.252 387 G HA3 -0.215 3.784 3.960 0.065 0.000 0.252 387 G C 0.214 175.114 174.900 0.000 0.000 1.024 387 G CA 0.506 45.621 45.100 0.025 0.000 0.755 387 G HN 0.761 nan 8.290 nan 0.000 0.507 388 V N -2.830 117.080 119.914 -0.007 0.000 2.716 388 V HA 0.810 4.970 4.120 0.065 0.000 0.304 388 V C 0.005 176.062 176.094 -0.062 0.000 1.053 388 V CA -1.700 60.569 62.300 -0.052 0.000 0.984 388 V CB 1.896 33.675 31.823 -0.074 0.000 1.021 388 V HN 0.188 nan 8.190 nan 0.000 0.467 389 N N 2.077 120.706 118.700 -0.119 0.000 2.400 389 N HA 0.675 5.454 4.740 0.065 0.000 0.288 389 N C -1.139 174.182 175.510 -0.315 0.000 1.024 389 N CA -0.284 52.684 53.050 -0.137 0.000 0.894 389 N CB 2.139 40.580 38.487 -0.076 0.000 1.173 389 N HN 0.633 nan 8.380 nan 0.000 0.487 390 V N 2.211 121.967 119.914 -0.264 0.000 2.735 390 V HA 0.355 4.514 4.120 0.065 0.000 0.310 390 V C -0.597 175.406 176.094 -0.152 0.000 1.061 390 V CA -0.851 61.223 62.300 -0.377 0.000 0.913 390 V CB 2.058 33.675 31.823 -0.343 0.000 1.005 390 V HN 0.616 nan 8.190 nan 0.000 0.428 391 N N 3.924 122.562 118.700 -0.104 0.000 2.444 391 N HA 0.537 5.316 4.740 0.065 0.000 0.262 391 N C -1.083 174.460 175.510 0.054 0.000 0.974 391 N CA -0.622 52.425 53.050 -0.006 0.000 0.933 391 N CB 1.441 39.937 38.487 0.014 0.000 1.137 391 N HN 0.387 nan 8.380 nan 0.000 0.498 392 L N 2.281 123.556 121.223 0.087 0.000 2.397 392 L HA 0.247 4.626 4.340 0.065 0.000 0.271 392 L C 0.068 177.038 176.870 0.167 0.000 1.148 392 L CA 0.468 55.419 54.840 0.184 0.000 0.825 392 L CB 0.463 42.660 42.059 0.229 0.000 1.117 392 L HN 0.537 nan 8.230 nan 0.000 0.456 393 E N 2.780 123.076 120.200 0.159 0.000 2.263 393 E HA 0.312 4.701 4.350 0.065 0.000 0.268 393 E C -1.167 175.270 176.600 -0.271 0.000 0.884 393 E CA -0.808 55.597 56.400 0.009 0.000 0.766 393 E CB 1.556 31.275 29.700 0.032 0.000 1.196 393 E HN 0.565 nan 8.360 nan 0.000 0.416 394 N N 2.727 121.176 118.700 -0.418 0.000 2.456 394 N HA 0.287 5.066 4.740 0.065 0.000 0.296 394 N C -0.670 174.647 175.510 -0.322 0.000 1.102 394 N CA -0.569 52.027 53.050 -0.757 0.000 0.924 394 N CB 1.928 39.984 38.487 -0.717 0.000 1.186 394 N HN 0.445 nan 8.380 nan 0.000 0.492 395 Q N 0.038 119.679 119.800 -0.266 0.000 2.379 395 Q HA 0.256 4.635 4.340 0.065 0.000 0.278 395 Q C -1.051 174.922 176.000 -0.045 0.000 1.068 395 Q CA -0.871 54.883 55.803 -0.081 0.000 0.816 395 Q CB 2.219 30.979 28.738 0.035 0.000 1.387 395 Q HN 0.531 nan 8.270 nan 0.000 0.413 396 E N 1.054 121.267 120.200 0.022 0.000 2.418 396 E HA -0.112 4.278 4.350 0.065 0.000 0.261 396 E C 0.428 177.141 176.600 0.188 0.000 1.070 396 E CA 0.126 56.576 56.400 0.083 0.000 0.931 396 E CB 0.443 30.190 29.700 0.079 0.000 0.954 396 E HN 0.716 nan 8.360 nan 0.000 0.439 397 W N 3.638 124.946 121.300 0.014 0.000 2.290 397 W HA -0.372 4.328 4.660 0.066 0.000 0.328 397 W C 1.821 178.434 176.519 0.156 0.000 1.272 397 W CA 2.203 59.604 57.345 0.093 0.000 1.262 397 W CB -0.043 29.442 29.460 0.041 0.000 1.151 397 W HN 0.576 nan 8.180 nan 0.000 0.473 398 K N -0.498 119.989 120.400 0.145 0.000 2.063 398 K HA -0.187 4.172 4.320 0.065 0.000 0.208 398 K C 1.941 178.517 176.600 -0.040 0.000 1.048 398 K CA 2.301 58.574 56.287 -0.023 0.000 0.928 398 K CB -0.411 32.136 32.500 0.079 0.000 0.713 398 K HN 0.045 nan 8.250 nan 0.000 0.442 399 T N 0.714 115.286 114.554 0.030 0.000 2.777 399 T HA -0.121 4.268 4.350 0.065 0.000 0.266 399 T C 1.338 176.046 174.700 0.013 0.000 1.040 399 T CA 1.161 63.274 62.100 0.021 0.000 1.141 399 T CB -0.357 68.536 68.868 0.041 0.000 0.868 399 T HN 0.304 nan 8.240 nan 0.000 0.444 400 F N 2.134 121.999 119.950 -0.141 0.000 2.126 400 F HA -0.058 4.508 4.527 0.064 0.000 0.299 400 F C 1.803 177.428 175.800 -0.292 0.000 1.096 400 F CA 1.131 59.011 58.000 -0.200 0.000 1.255 400 F CB -0.588 38.315 39.000 -0.162 0.000 0.997 400 F HN 0.060 nan 8.300 nan 0.000 0.479 401 L N -0.244 120.709 121.223 -0.451 0.000 2.056 401 L HA -0.184 4.195 4.340 0.065 0.000 0.207 401 L C 2.218 178.928 176.870 -0.267 0.000 1.078 401 L CA 1.325 55.835 54.840 -0.551 0.000 0.749 401 L CB -0.938 40.822 42.059 -0.499 0.000 0.901 401 L HN 0.045 nan 8.230 nan 0.000 0.433 402 D N -0.260 120.052 120.400 -0.146 0.000 2.097 402 D HA -0.156 4.523 4.640 0.065 0.000 0.195 402 D C 2.203 178.471 176.300 -0.054 0.000 0.989 402 D CA 1.687 55.662 54.000 -0.042 0.000 0.827 402 D CB -0.251 40.529 40.800 -0.033 0.000 0.966 402 D HN 0.211 nan 8.370 nan 0.000 0.456 403 T N 0.833 115.313 114.554 -0.123 0.000 2.720 403 T HA -0.154 4.235 4.350 0.065 0.000 0.268 403 T C 2.017 176.623 174.700 -0.156 0.000 1.037 403 T CA 1.163 63.199 62.100 -0.106 0.000 1.144 403 T CB -0.058 68.738 68.868 -0.121 0.000 0.864 403 T HN 0.168 nan 8.240 nan 0.000 0.444 404 R N -0.080 120.146 120.500 -0.456 0.000 2.075 404 R HA -0.032 4.348 4.340 0.065 0.000 0.232 404 R C 2.503 178.743 176.300 -0.099 0.000 1.126 404 R CA 1.084 56.829 56.100 -0.591 0.000 0.963 404 R CB -0.328 29.388 30.300 -0.973 0.000 0.858 404 R HN 0.503 nan 8.270 nan 0.000 0.435 405 H N 0.833 119.861 119.070 -0.070 0.000 2.387 405 H HA -0.094 4.501 4.556 0.065 0.000 0.299 405 H C 1.954 177.377 175.328 0.158 0.000 1.090 405 H CA 1.375 57.447 56.048 0.040 0.000 1.332 405 H CB 0.127 29.860 29.762 -0.048 0.000 1.386 405 H HN 0.357 nan 8.280 nan 0.000 0.516 406 Q N -0.236 119.677 119.800 0.189 0.000 2.224 406 Q HA -0.015 4.365 4.340 0.065 0.000 0.203 406 Q C 1.070 177.102 176.000 0.053 0.000 0.970 406 Q CA 0.622 56.492 55.803 0.112 0.000 0.865 406 Q CB 0.244 29.021 28.738 0.065 0.000 0.922 406 Q HN 0.597 nan 8.270 nan 0.000 0.445 407 G N 1.876 110.747 108.800 0.119 0.000 2.295 407 G HA2 -0.267 3.732 3.960 0.065 0.000 0.287 407 G HA3 -0.267 3.732 3.960 0.065 0.000 0.287 407 G C 0.196 175.042 174.900 -0.091 0.000 1.055 407 G CA 0.589 45.594 45.100 -0.159 0.000 0.922 407 G HN 0.398 nan 8.290 nan 0.000 0.503 408 T N -1.813 112.846 114.554 0.176 0.000 3.278 408 T HA 0.655 5.044 4.350 0.065 0.000 0.246 408 T C -0.042 174.797 174.700 0.230 0.000 1.281 408 T CA -0.067 62.103 62.100 0.116 0.000 1.281 408 T CB -0.388 68.524 68.868 0.073 0.000 1.064 408 T HN 1.615 nan 8.240 nan 0.000 0.628 409 F N -1.691 118.223 119.950 -0.061 0.000 2.779 409 F HA 0.743 5.309 4.527 0.066 0.000 0.316 409 F C -0.883 174.878 175.800 -0.066 0.000 1.164 409 F CA -1.311 56.664 58.000 -0.041 0.000 0.924 409 F CB 0.491 39.458 39.000 -0.056 0.000 1.348 409 F HN -0.122 nan 8.300 nan 0.000 0.467 410 D N 0.344 120.722 120.400 -0.036 0.000 3.032 410 D HA 0.309 4.988 4.640 0.065 0.000 0.280 410 D C -0.411 175.571 176.300 -0.531 0.000 1.381 410 D CA 1.079 54.857 54.000 -0.370 0.000 1.068 410 D CB 0.657 41.453 40.800 -0.006 0.000 1.148 410 D HN 0.238 nan 8.370 nan 0.000 0.401 411 V N 0.515 120.410 119.914 -0.032 0.000 2.735 411 V HA 0.762 4.921 4.120 0.065 0.000 0.310 411 V C -0.724 175.598 176.094 0.380 0.000 1.061 411 V CA -0.871 61.506 62.300 0.128 0.000 0.913 411 V CB 1.822 33.729 31.823 0.140 0.000 1.005 411 V HN 0.331 nan 8.190 nan 0.000 0.428 412 A N 3.910 126.930 122.820 0.332 0.000 2.414 412 A HA 0.783 5.142 4.320 0.065 0.000 0.306 412 A C -0.336 177.362 177.584 0.190 0.000 1.054 412 A CA -0.780 51.368 52.037 0.185 0.000 0.724 412 A CB 1.638 20.466 19.000 -0.287 0.000 1.267 412 A HN 0.743 nan 8.150 nan 0.000 0.418 413 R N 1.184 121.830 120.500 0.243 0.000 2.623 413 R HA 0.489 4.868 4.340 0.065 0.000 0.271 413 R C -0.390 175.720 176.300 -0.316 0.000 1.043 413 R CA 1.034 57.062 56.100 -0.119 0.000 1.083 413 R CB 0.477 30.779 30.300 0.003 0.000 0.974 413 R HN 1.229 nan 8.270 nan 0.000 0.436 414 A N 1.859 124.206 122.820 -0.790 0.000 2.606 414 A HA 0.698 5.058 4.320 0.065 0.000 0.293 414 A C -1.057 176.019 177.584 -0.848 0.000 1.082 414 A CA -0.161 51.389 52.037 -0.813 0.000 0.685 414 A CB 2.074 20.290 19.000 -1.307 0.000 1.284 414 A HN 0.793 nan 8.150 nan 0.000 0.408 415 G N -0.050 108.563 108.800 -0.312 0.000 2.753 415 G HA2 0.531 4.530 3.960 0.065 0.000 0.295 415 G HA3 0.531 4.530 3.960 0.065 0.000 0.295 415 G C -1.439 173.640 174.900 0.299 0.000 1.437 415 G CA -0.198 44.948 45.100 0.076 0.000 1.094 415 G HN 0.900 nan 8.290 nan 0.000 0.540 416 W N 2.991 124.410 121.300 0.197 0.000 2.600 416 W HA 0.551 5.252 4.660 0.069 0.000 0.325 416 W C -1.189 175.164 176.519 -0.277 0.000 1.034 416 W CA -0.846 56.451 57.345 -0.079 0.000 1.226 416 W CB 1.996 31.347 29.460 -0.181 0.000 1.379 416 W HN 0.518 nan 8.180 nan 0.000 0.466 417 c N 4.356 122.438 118.600 -0.864 0.000 2.382 417 c HA 0.654 5.263 4.570 0.065 0.000 0.327 417 c C 0.909 174.468 174.090 -0.886 0.000 1.250 417 c CA -0.496 55.398 56.329 -0.726 0.000 1.707 417 c CB 0.526 42.667 42.510 -0.616 0.000 2.272 417 c HN 0.694 nan 8.230 nan 0.000 0.506 418 A N 2.324 124.887 122.820 -0.428 0.000 2.520 418 A HA 0.168 4.527 4.320 0.065 0.000 0.235 418 A C 0.859 178.289 177.584 -0.256 0.000 1.065 418 A CA 0.399 52.258 52.037 -0.297 0.000 0.764 418 A CB 0.204 19.180 19.000 -0.040 0.000 1.002 418 A HN 0.929 nan 8.150 nan 0.000 0.502 419 D N -0.877 119.420 120.400 -0.171 0.000 2.355 419 D HA 0.163 4.842 4.640 0.065 0.000 0.206 419 D C -0.356 176.074 176.300 0.216 0.000 1.010 419 D CA 1.373 55.408 54.000 0.058 0.000 0.875 419 D CB 0.209 41.094 40.800 0.143 0.000 0.966 419 D HN 0.673 nan 8.370 nan 0.000 0.512 420 Y N -1.469 118.865 120.300 0.057 0.000 2.544 420 Y HA 0.467 5.055 4.550 0.062 0.000 0.342 420 Y C -0.647 175.246 175.900 -0.011 0.000 1.062 420 Y CA -1.533 56.582 58.100 0.025 0.000 1.023 420 Y CB 0.461 38.926 38.460 0.009 0.000 1.308 420 Y HN -0.404 nan 8.280 nan 0.000 0.457 421 N N 3.187 121.932 118.700 0.074 0.000 2.739 421 N HA 0.172 4.951 4.740 0.065 0.000 0.266 421 N C -1.107 174.362 175.510 -0.067 0.000 1.168 421 N CA 0.465 53.500 53.050 -0.026 0.000 1.055 421 N CB -0.221 38.282 38.487 0.028 0.000 1.393 421 N HN 0.780 nan 8.380 nan 0.000 0.514 422 E N 2.399 122.471 120.200 -0.214 0.000 2.378 422 E HA 0.226 4.615 4.350 0.065 0.000 0.283 422 E C -2.377 173.960 176.600 -0.438 0.000 0.979 422 E CA -1.475 54.753 56.400 -0.286 0.000 0.795 422 E CB 1.851 31.382 29.700 -0.282 0.000 1.221 422 E HN 0.074 nan 8.360 nan 0.000 0.428 423 P HA -0.141 nan 4.420 nan 0.000 0.217 423 P C 1.184 178.126 177.300 -0.597 0.000 1.148 423 P CA 2.080 64.800 63.100 -0.632 0.000 0.828 423 P CB 0.125 31.257 31.700 -0.947 0.000 0.783 424 T N -4.569 109.602 114.554 -0.638 0.000 3.007 424 T HA -0.099 4.291 4.350 0.065 0.000 0.270 424 T C 1.965 176.468 174.700 -0.330 0.000 1.107 424 T CA 1.252 63.143 62.100 -0.347 0.000 1.118 424 T CB -1.134 67.690 68.868 -0.074 0.000 0.889 424 T HN -0.014 nan 8.240 nan 0.000 0.506 425 S N -0.140 115.208 115.700 -0.587 0.000 2.399 425 S HA -0.003 4.506 4.470 0.065 0.000 0.231 425 S C 1.316 175.786 174.600 -0.217 0.000 1.022 425 S CA 0.742 58.545 58.200 -0.662 0.000 0.983 425 S CB -0.551 62.023 63.200 -1.043 0.000 0.803 425 S HN 0.568 nan 8.310 nan 0.000 0.480 426 F N 0.999 120.750 119.950 -0.332 0.000 2.164 426 F HA 0.302 4.867 4.527 0.062 0.000 0.287 426 F C 1.987 177.622 175.800 -0.275 0.000 1.086 426 F CA 0.624 58.385 58.000 -0.398 0.000 1.249 426 F CB -0.564 38.074 39.000 -0.603 0.000 1.059 426 F HN 0.097 nan 8.300 nan 0.000 0.490 427 L N 0.123 121.351 121.223 0.008 0.000 2.127 427 L HA -0.243 4.136 4.340 0.065 0.000 0.211 427 L C 1.856 178.801 176.870 0.124 0.000 1.089 427 L CA 0.933 55.870 54.840 0.162 0.000 0.757 427 L CB -0.670 41.435 42.059 0.078 0.000 0.899 427 L HN 0.169 nan 8.230 nan 0.000 0.434 428 N N -0.526 118.081 118.700 -0.156 0.000 2.381 428 N HA -0.131 4.649 4.740 0.065 0.000 0.182 428 N C 1.906 177.284 175.510 -0.221 0.000 1.025 428 N CA 1.695 54.577 53.050 -0.279 0.000 0.888 428 N CB -0.384 37.545 38.487 -0.931 0.000 0.965 428 N HN 0.456 nan 8.380 nan 0.000 0.438 429 T N -2.149 112.234 114.554 -0.283 0.000 3.072 429 T HA 0.037 4.426 4.350 0.065 0.000 0.266 429 T C 1.438 176.015 174.700 -0.204 0.000 1.127 429 T CA 0.618 62.538 62.100 -0.301 0.000 1.107 429 T CB -0.013 68.417 68.868 -0.729 0.000 0.910 429 T HN -0.006 nan 8.240 nan 0.000 0.513 430 M N 0.706 120.245 119.600 -0.101 0.000 2.428 430 M HA 0.405 4.925 4.480 0.065 0.000 0.239 430 M C 0.292 176.618 176.300 0.043 0.000 1.121 430 M CA -0.096 55.099 55.300 -0.176 0.000 1.019 430 M CB -0.516 31.740 32.600 -0.575 0.000 1.485 430 M HN 0.290 nan 8.290 nan 0.000 0.484 431 L N 0.301 121.649 121.223 0.208 0.000 2.485 431 L HA 0.024 4.403 4.340 0.065 0.000 0.275 431 L C 1.769 178.702 176.870 0.104 0.000 1.207 431 L CA -0.310 54.678 54.840 0.246 0.000 0.855 431 L CB 0.377 42.564 42.059 0.213 0.000 1.114 431 L HN 0.196 nan 8.230 nan 0.000 0.485 432 S N 1.176 116.919 115.700 0.071 0.000 2.381 432 S HA -0.210 4.299 4.470 0.065 0.000 0.230 432 S C 1.122 175.729 174.600 0.012 0.000 1.052 432 S CA 1.991 60.192 58.200 0.000 0.000 1.068 432 S CB -0.278 62.918 63.200 -0.006 0.000 0.918 432 S HN 0.921 nan 8.310 nan 0.000 0.448 433 D N 0.424 120.847 120.400 0.039 0.000 2.358 433 D HA 0.169 4.849 4.640 0.065 0.000 0.224 433 D C 0.226 176.549 176.300 0.038 0.000 1.123 433 D CA -0.070 53.950 54.000 0.032 0.000 0.833 433 D CB -0.268 40.553 40.800 0.036 0.000 0.946 433 D HN 0.159 nan 8.370 nan 0.000 0.505 434 S N 0.212 115.942 115.700 0.050 0.000 2.549 434 S HA 0.155 4.664 4.470 0.065 0.000 0.279 434 S C 1.559 176.164 174.600 0.007 0.000 1.321 434 S CA 0.046 58.288 58.200 0.069 0.000 1.054 434 S CB 0.979 64.238 63.200 0.099 0.000 0.899 434 S HN 0.281 nan 8.310 nan 0.000 0.497 435 S N 3.790 119.484 115.700 -0.010 0.000 2.447 435 S HA -0.088 4.421 4.470 0.065 0.000 0.233 435 S C 0.914 175.508 174.600 -0.011 0.000 1.006 435 S CA 1.176 59.357 58.200 -0.032 0.000 0.957 435 S CB -0.661 62.495 63.200 -0.074 0.000 0.773 435 S HN 0.851 nan 8.310 nan 0.000 0.507 436 N N 1.711 120.379 118.700 -0.053 0.000 2.322 436 N HA 0.150 4.930 4.740 0.065 0.000 0.194 436 N C -0.085 175.283 175.510 -0.236 0.000 1.126 436 N CA -0.087 52.884 53.050 -0.131 0.000 0.845 436 N CB -0.018 38.317 38.487 -0.252 0.000 0.976 436 N HN 0.259 nan 8.380 nan 0.000 0.475 437 N N 1.200 119.781 118.700 -0.197 0.000 2.555 437 N HA 0.016 4.795 4.740 0.065 0.000 0.244 437 N C 0.443 175.677 175.510 -0.460 0.000 1.114 437 N CA 0.146 53.024 53.050 -0.286 0.000 0.963 437 N CB 0.412 38.785 38.487 -0.189 0.000 1.276 437 N HN 0.178 nan 8.380 nan 0.000 0.510 438 T N -0.810 113.465 114.554 -0.465 0.000 3.081 438 T HA 0.157 4.546 4.350 0.065 0.000 0.250 438 T C 1.540 176.086 174.700 -0.257 0.000 1.100 438 T CA 0.311 62.099 62.100 -0.519 0.000 1.038 438 T CB 0.211 68.764 68.868 -0.526 0.000 0.962 438 T HN 0.296 nan 8.240 nan 0.000 0.516 439 A N 1.222 123.913 122.820 -0.215 0.000 2.119 439 A HA 0.043 4.402 4.320 0.065 0.000 0.216 439 A C 0.945 178.556 177.584 0.045 0.000 1.152 439 A CA 0.383 52.397 52.037 -0.039 0.000 0.708 439 A CB -0.799 18.112 19.000 -0.148 0.000 0.805 439 A HN 0.717 nan 8.150 nan 0.000 0.460 440 H N -3.085 115.978 119.070 -0.012 0.000 2.770 440 H HA -0.227 4.368 4.556 0.066 0.000 0.309 440 H C -0.519 174.814 175.328 0.007 0.000 1.206 440 H CA 1.140 57.180 56.048 -0.015 0.000 1.147 440 H CB -2.031 27.706 29.762 -0.040 0.000 1.422 440 H HN 0.703 nan 8.280 nan 0.000 0.420 441 Y N 1.498 121.735 120.300 -0.105 0.000 2.313 441 Y HA 0.395 4.985 4.550 0.066 0.000 0.332 441 Y C -0.121 175.711 175.900 -0.112 0.000 1.071 441 Y CA -0.412 57.608 58.100 -0.132 0.000 1.169 441 Y CB 0.861 39.180 38.460 -0.236 0.000 1.192 441 Y HN 0.040 nan 8.280 nan 0.000 0.487 442 K N 5.129 125.206 120.400 -0.537 0.000 2.616 442 K HA 0.307 4.667 4.320 0.065 0.000 0.241 442 K C -1.312 174.957 176.600 -0.552 0.000 0.961 442 K CA -0.558 55.468 56.287 -0.435 0.000 0.942 442 K CB 1.532 33.920 32.500 -0.186 0.000 1.153 442 K HN 0.553 nan 8.250 nan 0.000 0.452 443 S N 3.397 118.747 115.700 -0.584 0.000 2.707 443 S HA 0.375 4.884 4.470 0.065 0.000 0.312 443 S C -2.159 172.405 174.600 -0.059 0.000 1.116 443 S CA -1.769 56.234 58.200 -0.329 0.000 1.078 443 S CB 1.101 64.081 63.200 -0.367 0.000 0.997 443 S HN 0.216 nan 8.310 nan 0.000 0.477 444 P HA -0.011 nan 4.420 nan 0.000 0.218 444 P C 1.392 178.720 177.300 0.047 0.000 1.148 444 P CA 1.264 64.371 63.100 0.012 0.000 0.822 444 P CB 0.108 31.806 31.700 -0.002 0.000 0.784 445 A N -1.051 121.805 122.820 0.061 0.000 1.898 445 A HA -0.190 4.169 4.320 0.065 0.000 0.216 445 A C 2.119 179.775 177.584 0.120 0.000 1.181 445 A CA 1.323 53.408 52.037 0.080 0.000 0.620 445 A CB -1.800 17.253 19.000 0.090 0.000 0.819 445 A HN 0.163 nan 8.150 nan 0.000 0.442 446 F N 1.295 121.271 119.950 0.045 0.000 2.102 446 F HA -0.193 4.372 4.527 0.064 0.000 0.298 446 F C 1.815 177.658 175.800 0.071 0.000 1.105 446 F CA 2.154 60.209 58.000 0.091 0.000 1.239 446 F CB -0.229 38.881 39.000 0.183 0.000 0.991 446 F HN 0.233 nan 8.300 nan 0.000 0.474 447 D N 0.509 121.025 120.400 0.194 0.000 2.116 447 D HA -0.229 4.450 4.640 0.065 0.000 0.193 447 D C 2.120 178.411 176.300 -0.016 0.000 0.998 447 D CA 1.580 55.634 54.000 0.091 0.000 0.836 447 D CB -0.450 40.416 40.800 0.110 0.000 0.951 447 D HN 0.157 nan 8.370 nan 0.000 0.449 448 K N 0.826 121.223 120.400 -0.005 0.000 2.026 448 K HA -0.069 4.290 4.320 0.065 0.000 0.208 448 K C 2.164 178.731 176.600 -0.055 0.000 1.048 448 K CA 0.878 57.155 56.287 -0.017 0.000 0.929 448 K CB -0.688 31.812 32.500 -0.001 0.000 0.713 448 K HN 0.146 nan 8.250 nan 0.000 0.439 449 L N 0.311 121.475 121.223 -0.099 0.000 2.012 449 L HA -0.211 4.168 4.340 0.065 0.000 0.210 449 L C 2.241 179.028 176.870 -0.138 0.000 1.073 449 L CA 0.972 55.737 54.840 -0.125 0.000 0.748 449 L CB -0.529 41.437 42.059 -0.156 0.000 0.891 449 L HN 0.178 nan 8.230 nan 0.000 0.431 450 I N 0.064 120.507 120.570 -0.213 0.000 2.315 450 I HA -0.215 3.994 4.170 0.065 0.000 0.248 450 I C 2.846 178.967 176.117 0.006 0.000 1.117 450 I CA 1.507 62.749 61.300 -0.098 0.000 1.404 450 I CB -1.690 36.214 38.000 -0.159 0.000 1.071 450 I HN 0.181 nan 8.210 nan 0.000 0.419 451 A N 0.773 123.594 122.820 0.001 0.000 1.940 451 A HA -0.228 4.131 4.320 0.065 0.000 0.219 451 A C 1.952 179.535 177.584 -0.002 0.000 1.176 451 A CA 2.005 54.058 52.037 0.027 0.000 0.631 451 A CB -0.645 18.370 19.000 0.025 0.000 0.814 451 A HN 0.353 nan 8.150 nan 0.000 0.446 452 D N -0.406 119.981 120.400 -0.021 0.000 2.218 452 D HA -0.114 4.565 4.640 0.065 0.000 0.204 452 D C 2.266 178.540 176.300 -0.043 0.000 0.976 452 D CA 1.826 55.806 54.000 -0.034 0.000 0.853 452 D CB -0.630 40.143 40.800 -0.045 0.000 0.939 452 D HN 0.658 nan 8.370 nan 0.000 0.481 453 T N -1.310 113.221 114.554 -0.039 0.000 2.849 453 T HA -0.122 4.267 4.350 0.065 0.000 0.270 453 T C 1.823 176.523 174.700 -0.000 0.000 1.066 453 T CA 0.762 62.829 62.100 -0.055 0.000 1.130 453 T CB -0.285 68.574 68.868 -0.015 0.000 0.864 453 T HN 0.170 nan 8.240 nan 0.000 0.481 454 L N -0.779 120.447 121.223 0.005 0.000 2.728 454 L HA 0.396 4.775 4.340 0.065 0.000 0.238 454 L C 2.120 178.970 176.870 -0.033 0.000 1.143 454 L CA 0.036 54.869 54.840 -0.013 0.000 0.937 454 L CB 0.120 42.130 42.059 -0.080 0.000 1.225 454 L HN 0.125 nan 8.230 nan 0.000 0.507 455 K N 0.026 120.408 120.400 -0.031 0.000 2.374 455 K HA 0.111 4.470 4.320 0.065 0.000 0.196 455 K C 0.288 176.878 176.600 -0.016 0.000 1.023 455 K CA 0.046 56.319 56.287 -0.025 0.000 1.103 455 K CB 0.756 33.241 32.500 -0.026 0.000 0.848 455 K HN 0.161 nan 8.250 nan 0.000 0.528 456 V N -3.090 116.813 119.914 -0.018 0.000 2.881 456 V HA 0.746 4.906 4.120 0.065 0.000 0.316 456 V C -0.169 175.926 176.094 0.002 0.000 1.070 456 V CA -0.963 61.328 62.300 -0.015 0.000 0.976 456 V CB 1.692 33.495 31.823 -0.034 0.000 1.038 456 V HN -0.096 nan 8.190 nan 0.000 0.446 457 A N 1.756 124.585 122.820 0.014 0.000 2.812 457 A HA 0.565 4.924 4.320 0.065 0.000 0.294 457 A C -0.165 177.436 177.584 0.030 0.000 1.014 457 A CA -0.048 52.010 52.037 0.035 0.000 1.024 457 A CB -0.617 18.420 19.000 0.061 0.000 1.162 457 A HN 0.947 nan 8.150 nan 0.000 0.511 458 D N -0.504 119.901 120.400 0.009 0.000 2.863 458 D HA 0.227 4.907 4.640 0.065 0.000 0.245 458 D C -0.352 175.941 176.300 -0.012 0.000 1.211 458 D CA -0.295 53.707 54.000 0.005 0.000 0.888 458 D CB 1.537 42.336 40.800 -0.002 0.000 1.483 458 D HN 0.003 nan 8.370 nan 0.000 0.533 459 D N 1.776 122.179 120.400 0.005 0.000 2.117 459 D HA -0.118 4.561 4.640 0.065 0.000 0.197 459 D C 1.499 177.781 176.300 -0.030 0.000 0.987 459 D CA 1.375 55.376 54.000 0.002 0.000 0.829 459 D CB 0.193 41.012 40.800 0.032 0.000 0.961 459 D HN 0.474 nan 8.370 nan 0.000 0.460 460 T N 0.906 115.447 114.554 -0.021 0.000 2.746 460 T HA -0.153 4.236 4.350 0.065 0.000 0.267 460 T C 1.990 176.653 174.700 -0.061 0.000 1.039 460 T CA 1.077 63.160 62.100 -0.029 0.000 1.142 460 T CB -0.157 68.703 68.868 -0.014 0.000 0.866 460 T HN 0.256 nan 8.240 nan 0.000 0.444 461 Q N 0.352 120.113 119.800 -0.066 0.000 2.079 461 Q HA -0.015 4.364 4.340 0.065 0.000 0.200 461 Q C 2.635 178.533 176.000 -0.170 0.000 0.974 461 Q CA 1.089 56.839 55.803 -0.089 0.000 0.840 461 Q CB -0.122 28.576 28.738 -0.066 0.000 0.898 461 Q HN 0.399 nan 8.270 nan 0.000 0.430 462 R N -0.079 120.292 120.500 -0.217 0.000 2.073 462 R HA -0.100 4.280 4.340 0.065 0.000 0.234 462 R C 2.495 178.386 176.300 -0.682 0.000 1.134 462 R CA 1.557 57.378 56.100 -0.465 0.000 0.952 462 R CB -0.125 29.944 30.300 -0.385 0.000 0.850 462 R HN 0.095 nan 8.270 nan 0.000 0.433 463 S N 0.484 115.994 115.700 -0.317 0.000 2.382 463 S HA -0.138 4.371 4.470 0.065 0.000 0.228 463 S C 1.599 176.141 174.600 -0.096 0.000 1.027 463 S CA 1.184 59.306 58.200 -0.130 0.000 0.991 463 S CB -0.082 63.112 63.200 -0.010 0.000 0.823 463 S HN 0.375 nan 8.310 nan 0.000 0.469 464 E N 0.718 120.852 120.200 -0.111 0.000 2.106 464 E HA -0.062 4.327 4.350 0.065 0.000 0.192 464 E C 2.002 178.556 176.600 -0.076 0.000 0.984 464 E CA 0.747 57.108 56.400 -0.065 0.000 0.806 464 E CB -0.218 29.449 29.700 -0.055 0.000 0.750 464 E HN 0.426 nan 8.360 nan 0.000 0.458 465 L N 0.114 121.240 121.223 -0.160 0.000 2.093 465 L HA -0.189 4.190 4.340 0.065 0.000 0.208 465 L C 2.305 179.136 176.870 -0.065 0.000 1.085 465 L CA 0.906 55.658 54.840 -0.147 0.000 0.755 465 L CB -0.348 41.578 42.059 -0.222 0.000 0.904 465 L HN 0.159 nan 8.230 nan 0.000 0.435 466 Y N -0.214 120.057 120.300 -0.048 0.000 2.200 466 Y HA -0.167 4.423 4.550 0.065 0.000 0.290 466 Y C 2.635 178.518 175.900 -0.028 0.000 1.137 466 Y CA 0.522 58.590 58.100 -0.054 0.000 1.163 466 Y CB -1.249 37.173 38.460 -0.063 0.000 0.988 466 Y HN 0.114 nan 8.280 nan 0.000 0.518 467 A N 0.353 123.246 122.820 0.122 0.000 1.908 467 A HA -0.248 4.112 4.320 0.065 0.000 0.218 467 A C 2.225 179.853 177.584 0.074 0.000 1.181 467 A CA 2.098 54.181 52.037 0.077 0.000 0.627 467 A CB -0.613 18.414 19.000 0.044 0.000 0.818 467 A HN 0.424 nan 8.150 nan 0.000 0.445 468 K N -0.327 120.104 120.400 0.053 0.000 2.097 468 K HA 0.027 4.386 4.320 0.065 0.000 0.205 468 K C 2.239 178.890 176.600 0.085 0.000 1.050 468 K CA 1.036 57.355 56.287 0.054 0.000 0.938 468 K CB -0.300 32.214 32.500 0.022 0.000 0.718 468 K HN 0.445 nan 8.250 nan 0.000 0.442 469 A N 1.517 124.381 122.820 0.074 0.000 1.933 469 A HA -0.177 4.182 4.320 0.065 0.000 0.218 469 A C 1.926 179.686 177.584 0.293 0.000 1.175 469 A CA 1.362 53.459 52.037 0.100 0.000 0.628 469 A CB -0.235 18.696 19.000 -0.115 0.000 0.814 469 A HN 0.150 nan 8.150 nan 0.000 0.444 470 E N 0.011 120.334 120.200 0.206 0.000 2.072 470 E HA -0.203 4.186 4.350 0.065 0.000 0.191 470 E C 2.195 178.889 176.600 0.156 0.000 0.985 470 E CA 1.342 57.849 56.400 0.179 0.000 0.801 470 E CB -0.358 29.409 29.700 0.113 0.000 0.750 470 E HN 0.781 nan 8.360 nan 0.000 0.452 471 Q N 0.289 120.171 119.800 0.137 0.000 2.124 471 Q HA -0.218 4.161 4.340 0.065 0.000 0.202 471 Q C 2.208 178.294 176.000 0.143 0.000 0.977 471 Q CA 1.473 57.351 55.803 0.125 0.000 0.850 471 Q CB -0.120 28.675 28.738 0.095 0.000 0.901 471 Q HN 0.103 nan 8.270 nan 0.000 0.429 472 Q N 1.024 120.932 119.800 0.181 0.000 2.084 472 Q HA -0.127 4.252 4.340 0.065 0.000 0.202 472 Q C 1.841 177.956 176.000 0.192 0.000 0.978 472 Q CA 1.355 57.287 55.803 0.214 0.000 0.844 472 Q CB -0.227 28.695 28.738 0.305 0.000 0.898 472 Q HN 0.382 nan 8.270 nan 0.000 0.426 473 L N 0.289 121.606 121.223 0.157 0.000 2.012 473 L HA -0.214 4.166 4.340 0.065 0.000 0.210 473 L C 2.194 179.016 176.870 -0.080 0.000 1.073 473 L CA 1.754 56.525 54.840 -0.114 0.000 0.748 473 L CB -0.596 41.343 42.059 -0.200 0.000 0.891 473 L HN 0.364 nan 8.230 nan 0.000 0.431 474 D N 0.202 120.625 120.400 0.039 0.000 2.117 474 D HA -0.245 4.435 4.640 0.065 0.000 0.197 474 D C 2.202 178.555 176.300 0.087 0.000 0.987 474 D CA 1.314 55.375 54.000 0.101 0.000 0.829 474 D CB 0.029 40.957 40.800 0.214 0.000 0.961 474 D HN 0.086 nan 8.370 nan 0.000 0.460 475 K N -0.059 120.400 120.400 0.099 0.000 2.063 475 K HA -0.164 4.195 4.320 0.065 0.000 0.208 475 K C 0.820 177.458 176.600 0.062 0.000 1.048 475 K CA 1.667 58.008 56.287 0.089 0.000 0.928 475 K CB -0.028 32.534 32.500 0.103 0.000 0.713 475 K HN 0.123 nan 8.250 nan 0.000 0.442 476 D N 0.359 120.797 120.400 0.064 0.000 2.349 476 D HA 0.016 4.695 4.640 0.065 0.000 0.215 476 D C -0.202 176.097 176.300 -0.001 0.000 1.016 476 D CA 0.360 54.400 54.000 0.067 0.000 0.870 476 D CB 0.306 41.220 40.800 0.189 0.000 0.917 476 D HN 0.068 nan 8.370 nan 0.000 0.524 477 S N 0.038 115.708 115.700 -0.050 0.000 3.550 477 S HA -0.248 4.261 4.470 0.065 0.000 0.372 477 S C 1.416 175.943 174.600 -0.121 0.000 0.966 477 S CA 0.298 58.446 58.200 -0.087 0.000 1.229 477 S CB -1.217 61.933 63.200 -0.083 0.000 0.917 477 S HN 0.523 nan 8.310 nan 0.000 0.496 478 A N 0.354 123.021 122.820 -0.255 0.000 1.933 478 A HA 0.266 4.625 4.320 0.065 0.000 0.218 478 A C 0.991 178.420 177.584 -0.258 0.000 1.175 478 A CA 1.492 53.295 52.037 -0.390 0.000 0.628 478 A CB -0.389 18.012 19.000 -0.998 0.000 0.814 478 A HN 1.090 nan 8.150 nan 0.000 0.444 479 I N -5.529 114.906 120.570 -0.225 0.000 3.239 479 I HA 0.664 4.873 4.170 0.065 0.000 0.314 479 I C -1.061 175.076 176.117 0.035 0.000 1.126 479 I CA -1.279 59.975 61.300 -0.077 0.000 0.973 479 I CB 2.331 40.216 38.000 -0.191 0.000 1.252 479 I HN -0.251 nan 8.210 nan 0.000 0.463 480 V N 2.788 122.817 119.914 0.191 0.000 2.257 480 V HA 0.397 4.556 4.120 0.065 0.000 0.269 480 V C -2.347 173.915 176.094 0.280 0.000 1.040 480 V CA -1.541 60.909 62.300 0.250 0.000 0.813 480 V CB 0.454 32.526 31.823 0.414 0.000 1.065 480 V HN 0.602 nan 8.190 nan 0.000 0.457 481 P HA 0.167 nan 4.420 nan 0.000 0.268 481 P C 0.459 177.864 177.300 0.176 0.000 1.204 481 P CA 0.372 63.570 63.100 0.162 0.000 0.768 481 P CB 1.542 33.296 31.700 0.091 0.000 0.842 482 V N 2.315 122.279 119.914 0.084 0.000 3.001 482 V HA 0.208 4.367 4.120 0.065 0.000 0.228 482 V C -0.102 175.998 176.094 0.010 0.000 1.204 482 V CA 1.046 63.390 62.300 0.074 0.000 1.247 482 V CB -0.482 31.368 31.823 0.045 0.000 1.093 482 V HN 0.581 nan 8.190 nan 0.000 0.504 483 Y N -2.375 117.841 120.300 -0.141 0.000 2.638 483 Y HA 0.749 5.337 4.550 0.064 0.000 0.335 483 Y C -1.631 174.103 175.900 -0.277 0.000 1.155 483 Y CA -2.425 55.509 58.100 -0.276 0.000 1.046 483 Y CB 0.602 38.945 38.460 -0.196 0.000 1.303 483 Y HN 0.083 nan 8.280 nan 0.000 0.460 484 Y N 1.434 121.951 120.300 0.363 0.000 2.327 484 Y HA 0.417 5.006 4.550 0.066 0.000 0.336 484 Y C -0.436 175.781 175.900 0.528 0.000 1.035 484 Y CA -1.034 57.286 58.100 0.366 0.000 1.165 484 Y CB 0.198 38.859 38.460 0.335 0.000 1.181 484 Y HN 0.532 nan 8.280 nan 0.000 0.494 485 Y N 1.669 122.283 120.300 0.524 0.000 2.357 485 Y HA 0.343 4.933 4.550 0.066 0.000 0.340 485 Y C 0.571 176.697 175.900 0.376 0.000 1.260 485 Y CA -0.852 57.538 58.100 0.483 0.000 1.425 485 Y CB 0.405 39.109 38.460 0.408 0.000 1.326 485 Y HN 0.400 nan 8.280 nan 0.000 0.580 486 V N -0.110 120.066 119.914 0.437 0.000 2.850 486 V HA 0.484 4.644 4.120 0.065 0.000 0.315 486 V C -0.322 175.961 176.094 0.315 0.000 1.064 486 V CA -1.282 61.190 62.300 0.286 0.000 0.979 486 V CB 1.861 33.743 31.823 0.097 0.000 1.039 486 V HN 0.744 nan 8.190 nan 0.000 0.452 487 N N 2.472 121.237 118.700 0.108 0.000 2.719 487 N HA 0.514 5.293 4.740 0.065 0.000 0.243 487 N C -0.327 175.111 175.510 -0.121 0.000 1.104 487 N CA 0.138 53.060 53.050 -0.213 0.000 0.981 487 N CB 0.498 38.607 38.487 -0.630 0.000 1.290 487 N HN 1.151 nan 8.380 nan 0.000 0.513 488 A N 3.798 126.570 122.820 -0.080 0.000 2.288 488 A HA 0.809 5.168 4.320 0.065 0.000 0.320 488 A C -0.085 177.437 177.584 -0.102 0.000 1.217 488 A CA -0.630 51.372 52.037 -0.060 0.000 0.840 488 A CB 0.584 19.524 19.000 -0.100 0.000 1.179 488 A HN 0.806 nan 8.150 nan 0.000 0.504 489 R N 1.343 121.788 120.500 -0.092 0.000 2.733 489 R HA 0.711 5.090 4.340 0.065 0.000 0.272 489 R C -1.889 174.288 176.300 -0.206 0.000 1.029 489 R CA -0.962 55.035 56.100 -0.170 0.000 0.888 489 R CB 0.856 31.014 30.300 -0.235 0.000 1.251 489 R HN 0.411 nan 8.270 nan 0.000 0.464 490 L N 1.281 122.288 121.223 -0.359 0.000 2.309 490 L HA 0.740 5.119 4.340 0.065 0.000 0.282 490 L C -0.729 175.890 176.870 -0.418 0.000 1.036 490 L CA -1.361 53.161 54.840 -0.531 0.000 0.806 490 L CB 1.966 43.318 42.059 -1.178 0.000 1.220 490 L HN 0.344 nan 8.230 nan 0.000 0.429 491 V N 2.628 122.417 119.914 -0.209 0.000 2.577 491 V HA 0.334 4.493 4.120 0.065 0.000 0.303 491 V C -0.045 175.977 176.094 -0.120 0.000 1.042 491 V CA -1.137 61.083 62.300 -0.133 0.000 0.872 491 V CB 1.885 33.578 31.823 -0.217 0.000 0.998 491 V HN 0.604 nan 8.190 nan 0.000 0.423 492 K N 4.586 124.801 120.400 -0.309 0.000 2.380 492 K HA 0.173 4.532 4.320 0.065 0.000 0.267 492 K C -1.655 174.485 176.600 -0.768 0.000 0.990 492 K CA -1.458 54.309 56.287 -0.867 0.000 0.946 492 K CB 0.950 32.318 32.500 -1.888 0.000 0.937 492 K HN 0.293 nan 8.250 nan 0.000 0.491 493 P HA -0.127 nan 4.420 nan 0.000 0.219 493 P C 0.743 177.930 177.300 -0.188 0.000 1.146 493 P CA 1.246 64.167 63.100 -0.299 0.000 0.808 493 P CB -0.047 31.570 31.700 -0.137 0.000 0.779 494 W N -1.765 119.419 121.300 -0.192 0.000 3.180 494 W HA 0.265 4.964 4.660 0.066 0.000 0.254 494 W C -0.395 176.025 176.519 -0.166 0.000 1.318 494 W CA -0.148 57.084 57.345 -0.187 0.000 1.608 494 W CB -1.326 27.883 29.460 -0.417 0.000 1.124 494 W HN -0.384 nan 8.180 nan 0.000 0.694 495 V N 3.187 122.961 119.914 -0.233 0.000 2.389 495 V HA 0.557 4.716 4.120 0.065 0.000 0.264 495 V C 0.936 176.865 176.094 -0.274 0.000 1.049 495 V CA -0.194 61.982 62.300 -0.207 0.000 0.932 495 V CB -0.089 31.586 31.823 -0.247 0.000 1.011 495 V HN 0.204 nan 8.190 nan 0.000 0.475 496 G N 2.692 111.161 108.800 -0.552 0.000 2.437 496 G HA2 0.563 4.562 3.960 0.065 0.000 0.319 496 G HA3 0.563 4.562 3.960 0.065 0.000 0.319 496 G C 0.823 175.249 174.900 -0.791 0.000 1.158 496 G CA 0.094 44.641 45.100 -0.921 0.000 0.899 496 G HN 1.441 nan 8.290 nan 0.000 0.502 497 G N -1.171 107.446 108.800 -0.304 0.000 2.194 497 G HA2 -0.259 3.740 3.960 0.065 0.000 0.236 497 G HA3 -0.259 3.740 3.960 0.065 0.000 0.236 497 G C 0.161 175.108 174.900 0.078 0.000 0.987 497 G CA 0.625 45.735 45.100 0.016 0.000 0.635 497 G HN 1.197 nan 8.290 nan 0.000 0.520 498 Y N 3.070 123.315 120.300 -0.091 0.000 2.518 498 Y HA 0.481 5.087 4.550 0.094 0.000 0.344 498 Y C 1.776 177.646 175.900 -0.051 0.000 0.982 498 Y CA 0.423 58.483 58.100 -0.066 0.000 1.234 498 Y CB 0.866 39.266 38.460 -0.100 0.000 1.114 498 Y HN 0.270 nan 8.280 nan 0.000 0.515 499 T N 0.715 115.050 114.554 -0.366 0.000 2.851 499 T HA 0.132 4.521 4.350 0.065 0.000 0.262 499 T C 1.663 176.073 174.700 -0.484 0.000 1.043 499 T CA 0.946 62.861 62.100 -0.309 0.000 1.140 499 T CB -0.568 68.199 68.868 -0.168 0.000 0.872 499 T HN 1.273 nan 8.240 nan 0.000 0.446 500 G N 1.173 109.493 108.800 -0.800 0.000 2.157 500 G HA2 -0.240 3.760 3.960 0.065 0.000 0.248 500 G HA3 -0.240 3.760 3.960 0.065 0.000 0.248 500 G C 0.964 175.685 174.900 -0.298 0.000 0.979 500 G CA 0.422 45.149 45.100 -0.622 0.000 0.650 500 G HN 0.483 nan 8.290 nan 0.000 0.529 501 K N 0.342 120.597 120.400 -0.240 0.000 2.296 501 K HA 0.023 4.383 4.320 0.065 0.000 0.200 501 K C 0.695 177.231 176.600 -0.107 0.000 1.048 501 K CA 0.521 56.727 56.287 -0.135 0.000 0.966 501 K CB -0.011 32.425 32.500 -0.108 0.000 0.754 501 K HN 0.493 nan 8.250 nan 0.000 0.466 502 D N 1.916 122.243 120.400 -0.121 0.000 2.325 502 D HA 0.031 4.710 4.640 0.065 0.000 0.251 502 D C -1.649 174.646 176.300 -0.007 0.000 1.196 502 D CA -2.160 51.802 54.000 -0.063 0.000 0.866 502 D CB 1.375 42.152 40.800 -0.039 0.000 1.101 502 D HN -0.062 nan 8.370 nan 0.000 0.476 503 P HA -0.031 nan 4.420 nan 0.000 0.237 503 P C 1.198 178.623 177.300 0.208 0.000 1.178 503 P CA 0.467 63.648 63.100 0.136 0.000 0.766 503 P CB 0.393 32.179 31.700 0.143 0.000 0.876 504 L N -1.006 120.299 121.223 0.137 0.000 2.529 504 L HA 0.137 4.516 4.340 0.065 0.000 0.223 504 L C 0.552 177.520 176.870 0.163 0.000 1.113 504 L CA 0.208 55.133 54.840 0.143 0.000 0.861 504 L CB -0.994 41.115 42.059 0.083 0.000 1.012 504 L HN -0.022 nan 8.230 nan 0.000 0.461 505 D N 1.327 121.783 120.400 0.093 0.000 2.689 505 D HA -0.203 4.476 4.640 0.065 0.000 0.237 505 D C -0.031 176.291 176.300 0.037 0.000 1.148 505 D CA 0.302 54.321 54.000 0.032 0.000 0.656 505 D CB -0.887 39.868 40.800 -0.075 0.000 1.050 505 D HN 0.141 nan 8.370 nan 0.000 0.426 506 N N 1.294 120.020 118.700 0.045 0.000 3.124 506 N HA 0.091 4.870 4.740 0.065 0.000 0.284 506 N C 0.085 175.585 175.510 -0.016 0.000 1.209 506 N CA -0.182 52.864 53.050 -0.007 0.000 1.149 506 N CB 0.103 38.637 38.487 0.079 0.000 1.434 506 N HN 0.326 nan 8.380 nan 0.000 0.529 507 I N 1.741 122.284 120.570 -0.046 0.000 2.575 507 I HA 0.094 4.303 4.170 0.065 0.000 0.285 507 I C 0.149 176.168 176.117 -0.162 0.000 1.085 507 I CA -0.414 60.906 61.300 0.033 0.000 1.403 507 I CB -0.259 37.784 38.000 0.072 0.000 1.409 507 I HN 0.180 nan 8.210 nan 0.000 0.557 508 Y N 3.969 124.318 120.300 0.082 0.000 2.331 508 Y HA 0.290 4.876 4.550 0.060 0.000 0.334 508 Y C 1.040 176.992 175.900 0.087 0.000 0.960 508 Y CA -0.678 57.469 58.100 0.079 0.000 1.130 508 Y CB 1.632 40.143 38.460 0.085 0.000 1.164 508 Y HN 0.252 nan 8.280 nan 0.000 0.458 509 V N 3.112 123.127 119.914 0.169 0.000 2.759 509 V HA -0.270 3.889 4.120 0.065 0.000 0.256 509 V C 2.045 178.294 176.094 0.258 0.000 1.080 509 V CA 2.041 64.398 62.300 0.096 0.000 1.101 509 V CB -0.512 31.204 31.823 -0.179 0.000 0.698 509 V HN 0.799 nan 8.190 nan 0.000 0.477 510 K N 0.273 120.905 120.400 0.386 0.000 2.442 510 K HA -0.146 4.213 4.320 0.065 0.000 0.198 510 K C 1.242 177.964 176.600 0.204 0.000 1.044 510 K CA 1.576 58.033 56.287 0.283 0.000 0.948 510 K CB -0.265 32.323 32.500 0.146 0.000 0.762 510 K HN 0.399 nan 8.250 nan 0.000 0.472 511 N N 0.575 119.404 118.700 0.216 0.000 2.299 511 N HA 0.155 4.934 4.740 0.065 0.000 0.187 511 N C 0.183 175.829 175.510 0.227 0.000 1.099 511 N CA 0.230 53.400 53.050 0.201 0.000 0.867 511 N CB 0.249 38.853 38.487 0.197 0.000 0.974 511 N HN 0.180 nan 8.380 nan 0.000 0.477 512 L N 0.232 121.571 121.223 0.194 0.000 2.416 512 L HA 0.461 4.840 4.340 0.065 0.000 0.263 512 L C -0.652 176.350 176.870 0.221 0.000 1.065 512 L CA -1.135 53.773 54.840 0.112 0.000 0.798 512 L CB 0.850 42.923 42.059 0.024 0.000 1.267 512 L HN 0.090 nan 8.230 nan 0.000 0.467 513 Y N -1.412 118.940 120.300 0.088 0.000 2.592 513 Y HA 0.594 5.172 4.550 0.046 0.000 0.334 513 Y C -1.271 174.696 175.900 0.110 0.000 1.136 513 Y CA -1.436 56.718 58.100 0.090 0.000 1.042 513 Y CB 0.831 39.339 38.460 0.080 0.000 1.325 513 Y HN 0.094 nan 8.280 nan 0.000 0.457 514 I N 4.090 124.821 120.570 0.268 0.000 2.321 514 I HA 0.351 4.560 4.170 0.065 0.000 0.291 514 I C 0.064 176.363 176.117 0.303 0.000 0.998 514 I CA -1.233 60.215 61.300 0.247 0.000 1.227 514 I CB 0.894 39.023 38.000 0.214 0.000 1.368 514 I HN 0.640 nan 8.210 nan 0.000 0.466 515 I N 5.230 125.995 120.570 0.326 0.000 2.575 515 I HA 0.105 4.314 4.170 0.065 0.000 0.285 515 I C 1.043 177.333 176.117 0.288 0.000 1.085 515 I CA -0.491 60.995 61.300 0.309 0.000 1.403 515 I CB 0.451 38.626 38.000 0.293 0.000 1.409 515 I HN 0.495 nan 8.210 nan 0.000 0.557 516 K N 6.462 126.968 120.400 0.176 0.000 2.484 516 K HA 0.012 4.371 4.320 0.065 0.000 0.280 516 K C -0.419 176.254 176.600 0.123 0.000 1.013 516 K CA 0.331 56.665 56.287 0.079 0.000 1.029 516 K CB 0.268 32.783 32.500 0.025 0.000 0.902 516 K HN 0.716 nan 8.250 nan 0.000 0.481 517 H N 0.000 118.996 119.070 -0.123 0.000 2.539 517 H HA 0.000 4.596 4.556 0.066 0.000 0.296 517 H CA 0.000 55.967 56.048 -0.135 0.000 1.023 517 H CB 0.000 29.663 29.762 -0.165 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496