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 1b0h_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 0.000 177.619 177.584 0.058 0.000 1.274 1 A CA 0.000 52.111 52.037 0.124 0.000 0.836 1 A CB 0.000 19.118 19.000 0.197 0.000 0.831 2 D N 1.778 122.216 120.400 0.064 0.000 2.462 2 D HA 0.419 5.098 4.640 0.066 0.000 0.249 2 D C -0.413 175.833 176.300 -0.090 0.000 1.117 2 D CA 0.034 54.035 54.000 0.002 0.000 0.900 2 D CB 1.573 42.396 40.800 0.038 0.000 1.039 2 D HN 0.287 nan 8.370 nan 0.000 0.516 3 V N 3.877 123.652 119.914 -0.233 0.000 2.470 3 V HA 0.166 4.326 4.120 0.066 0.000 0.276 3 V C -1.694 174.260 176.094 -0.233 0.000 1.040 3 V CA -1.184 60.829 62.300 -0.478 0.000 1.008 3 V CB 0.332 31.844 31.823 -0.518 0.000 0.990 3 V HN 0.303 nan 8.190 nan 0.000 0.477 4 P HA 0.227 nan 4.420 nan 0.000 0.266 4 P C -0.080 177.189 177.300 -0.051 0.000 1.195 4 P CA -0.102 62.965 63.100 -0.054 0.000 0.768 4 P CB 0.435 32.142 31.700 0.013 0.000 0.838 5 A N 2.509 125.314 122.820 -0.025 0.000 2.567 5 A HA 0.384 4.744 4.320 0.066 0.000 0.240 5 A C 1.606 179.187 177.584 -0.006 0.000 1.053 5 A CA 0.798 52.825 52.037 -0.017 0.000 0.755 5 A CB -1.247 17.750 19.000 -0.006 0.000 0.978 5 A HN 0.939 nan 8.150 nan 0.000 0.507 6 G N 0.489 109.286 108.800 -0.006 0.000 2.253 6 G HA2 -0.116 3.883 3.960 0.066 0.000 0.251 6 G HA3 -0.116 3.883 3.960 0.066 0.000 0.251 6 G C 0.723 175.632 174.900 0.016 0.000 0.998 6 G CA 0.645 45.750 45.100 0.007 0.000 0.621 6 G HN 2.401 nan 8.290 nan 0.000 0.524 7 V N 0.016 119.937 119.914 0.011 0.000 2.686 7 V HA 0.635 4.795 4.120 0.066 0.000 0.295 7 V C 0.276 176.389 176.094 0.031 0.000 1.055 7 V CA -0.212 62.113 62.300 0.042 0.000 1.050 7 V CB 1.554 33.426 31.823 0.082 0.000 0.984 7 V HN 0.373 nan 8.190 nan 0.000 0.482 8 Q N 4.700 124.535 119.800 0.058 0.000 2.331 8 Q HA 0.481 4.860 4.340 0.066 0.000 0.257 8 Q C -0.786 175.259 176.000 0.076 0.000 0.957 8 Q CA -0.429 55.404 55.803 0.048 0.000 0.923 8 Q CB 1.631 30.395 28.738 0.043 0.000 1.212 8 Q HN 0.808 nan 8.270 nan 0.000 0.443 9 L N 1.813 123.072 121.223 0.059 0.000 2.395 9 L HA 0.380 4.760 4.340 0.066 0.000 0.269 9 L C 0.503 177.412 176.870 0.065 0.000 1.133 9 L CA -0.518 54.376 54.840 0.090 0.000 0.812 9 L CB 0.866 42.965 42.059 0.067 0.000 1.125 9 L HN 0.614 nan 8.230 nan 0.000 0.452 10 A N 1.507 124.376 122.820 0.082 0.000 2.466 10 A HA 0.034 4.393 4.320 0.066 0.000 0.238 10 A C 0.718 178.304 177.584 0.002 0.000 1.074 10 A CA -0.323 51.723 52.037 0.014 0.000 0.774 10 A CB 0.145 19.149 19.000 0.007 0.000 1.015 10 A HN 0.847 nan 8.150 nan 0.000 0.498 11 D N 0.134 120.513 120.400 -0.035 0.000 2.117 11 D HA -0.053 4.626 4.640 0.066 0.000 0.198 11 D C 0.680 176.970 176.300 -0.017 0.000 0.982 11 D CA 1.494 55.478 54.000 -0.026 0.000 0.828 11 D CB 0.077 40.851 40.800 -0.043 0.000 0.967 11 D HN 0.587 nan 8.370 nan 0.000 0.464 12 K N 1.289 121.670 120.400 -0.031 0.000 2.234 12 K HA 0.099 4.459 4.320 0.066 0.000 0.277 12 K C -0.461 176.147 176.600 0.014 0.000 1.038 12 K CA -0.309 55.968 56.287 -0.016 0.000 0.888 12 K CB 0.671 33.148 32.500 -0.038 0.000 1.091 12 K HN -0.242 nan 8.250 nan 0.000 0.467 13 Q N 3.489 123.311 119.800 0.036 0.000 2.730 13 Q HA 0.128 4.507 4.340 0.066 0.000 0.244 13 Q C -0.715 175.320 176.000 0.059 0.000 1.176 13 Q CA -0.183 55.660 55.803 0.066 0.000 1.024 13 Q CB 1.109 29.898 28.738 0.084 0.000 1.215 13 Q HN 0.772 nan 8.270 nan 0.000 0.542 14 T N -1.608 112.972 114.554 0.042 0.000 2.916 14 T HA 0.796 5.186 4.350 0.066 0.000 0.292 14 T C -0.649 174.058 174.700 0.012 0.000 1.055 14 T CA -0.891 61.221 62.100 0.019 0.000 1.009 14 T CB 1.946 70.816 68.868 0.004 0.000 1.118 14 T HN 0.234 nan 8.240 nan 0.000 0.497 15 L N 1.353 122.553 121.223 -0.039 0.000 2.445 15 L HA 0.800 5.179 4.340 0.066 0.000 0.262 15 L C -1.633 175.155 176.870 -0.137 0.000 0.974 15 L CA -0.690 54.106 54.840 -0.073 0.000 0.822 15 L CB 2.409 44.395 42.059 -0.121 0.000 1.339 15 L HN 0.718 nan 8.230 nan 0.000 0.409 16 V N 4.754 124.595 119.914 -0.121 0.000 2.443 16 V HA 0.623 4.783 4.120 0.066 0.000 0.293 16 V C -0.358 175.626 176.094 -0.182 0.000 1.021 16 V CA -0.548 61.662 62.300 -0.150 0.000 0.848 16 V CB 1.663 33.443 31.823 -0.072 0.000 0.998 16 V HN 0.713 nan 8.190 nan 0.000 0.424 17 R N 2.866 123.188 120.500 -0.298 0.000 2.637 17 R HA 0.481 4.861 4.340 0.066 0.000 0.291 17 R C -0.590 175.631 176.300 -0.132 0.000 0.963 17 R CA -0.852 55.095 56.100 -0.254 0.000 0.901 17 R CB 1.938 31.974 30.300 -0.441 0.000 1.160 17 R HN 0.686 nan 8.270 nan 0.000 0.457 18 N N 0.527 119.209 118.700 -0.030 0.000 2.515 18 N HA 0.052 4.832 4.740 0.066 0.000 0.279 18 N C -0.148 175.399 175.510 0.062 0.000 1.164 18 N CA -0.113 52.944 53.050 0.010 0.000 0.982 18 N CB 0.873 39.377 38.487 0.028 0.000 1.170 18 N HN 0.499 nan 8.380 nan 0.000 0.474 19 N N 0.746 119.415 118.700 -0.052 0.000 2.241 19 N HA 0.229 5.009 4.740 0.066 0.000 0.238 19 N C 0.622 175.683 175.510 -0.748 0.000 1.244 19 N CA 0.548 53.498 53.050 -0.166 0.000 0.880 19 N CB 0.175 38.654 38.487 -0.013 0.000 1.179 19 N HN 0.758 nan 8.380 nan 0.000 0.513 20 G N -0.150 108.139 108.800 -0.852 0.000 2.507 20 G HA2 -0.313 3.687 3.960 0.066 0.000 0.240 20 G HA3 -0.313 3.687 3.960 0.066 0.000 0.240 20 G C 0.128 174.673 174.900 -0.591 0.000 1.119 20 G CA 0.838 45.314 45.100 -1.040 0.000 0.664 20 G HN 1.047 nan 8.290 nan 0.000 0.516 21 S N -1.167 114.238 115.700 -0.490 0.000 2.636 21 S HA 0.567 5.077 4.470 0.066 0.000 0.266 21 S C -1.024 173.485 174.600 -0.152 0.000 1.147 21 S CA 0.089 58.119 58.200 -0.283 0.000 0.815 21 S CB 2.102 65.100 63.200 -0.337 0.000 1.119 21 S HN 1.068 nan 8.310 nan 0.000 0.470 22 E N 1.517 121.713 120.200 -0.006 0.000 2.344 22 E HA 0.419 4.808 4.350 0.066 0.000 0.270 22 E C 0.294 176.971 176.600 0.127 0.000 1.021 22 E CA -0.575 55.873 56.400 0.079 0.000 0.887 22 E CB 0.767 30.546 29.700 0.132 0.000 0.997 22 E HN 0.913 nan 8.360 nan 0.000 0.429 23 V N 2.708 122.677 119.914 0.092 0.000 2.999 23 V HA -0.043 4.116 4.120 0.066 0.000 0.307 23 V C 1.070 177.290 176.094 0.210 0.000 1.084 23 V CA 0.108 62.468 62.300 0.101 0.000 1.155 23 V CB 0.778 32.554 31.823 -0.079 0.000 0.975 23 V HN 0.876 nan 8.190 nan 0.000 0.490 24 Q N 1.800 121.729 119.800 0.214 0.000 2.084 24 Q HA 0.059 4.439 4.340 0.066 0.000 0.202 24 Q C 1.087 177.183 176.000 0.160 0.000 0.978 24 Q CA 1.732 57.635 55.803 0.168 0.000 0.844 24 Q CB 0.147 28.952 28.738 0.112 0.000 0.898 24 Q HN 0.975 nan 8.270 nan 0.000 0.426 25 S N -2.375 113.396 115.700 0.119 0.000 2.615 25 S HA 0.324 4.834 4.470 0.066 0.000 0.268 25 S C -0.986 173.573 174.600 -0.068 0.000 1.146 25 S CA -0.766 57.497 58.200 0.105 0.000 0.818 25 S CB 0.372 63.609 63.200 0.063 0.000 1.111 25 S HN 0.177 nan 8.310 nan 0.000 0.465 26 L N 1.361 122.488 121.223 -0.159 0.000 2.808 26 L HA 0.384 4.764 4.340 0.066 0.000 0.246 26 L C 0.044 176.790 176.870 -0.205 0.000 1.153 26 L CA -0.064 54.623 54.840 -0.256 0.000 0.956 26 L CB 0.306 42.120 42.059 -0.409 0.000 1.270 26 L HN 0.561 nan 8.230 nan 0.000 0.528 27 D N 1.439 121.729 120.400 -0.184 0.000 2.325 27 D HA 0.122 4.801 4.640 0.066 0.000 0.251 27 D C -1.696 174.544 176.300 -0.100 0.000 1.196 27 D CA -1.984 51.956 54.000 -0.099 0.000 0.866 27 D CB 1.921 42.781 40.800 0.098 0.000 1.101 27 D HN -0.127 nan 8.370 nan 0.000 0.476 28 P HA -0.120 nan 4.420 nan 0.000 0.220 28 P C 0.337 177.565 177.300 -0.120 0.000 1.144 28 P CA 1.297 64.233 63.100 -0.273 0.000 0.800 28 P CB 0.054 31.474 31.700 -0.466 0.000 0.772 29 H N -1.727 117.332 119.070 -0.018 0.000 2.539 29 H HA 0.171 4.767 4.556 0.066 0.000 0.269 29 H C 0.952 176.302 175.328 0.036 0.000 0.980 29 H CA 0.076 56.125 56.048 0.002 0.000 1.152 29 H CB 0.326 30.091 29.762 0.005 0.000 1.407 29 H HN -0.032 nan 8.280 nan 0.000 0.564 30 K N 1.117 121.601 120.400 0.141 0.000 2.478 30 K HA 0.214 4.573 4.320 0.066 0.000 0.205 30 K C -0.018 176.636 176.600 0.090 0.000 1.033 30 K CA 0.034 56.386 56.287 0.108 0.000 1.091 30 K CB 0.875 33.434 32.500 0.099 0.000 0.844 30 K HN 0.371 nan 8.250 nan 0.000 0.507 31 I N -1.606 119.023 120.570 0.099 0.000 2.693 31 I HA 0.352 4.561 4.170 0.066 0.000 0.303 31 I C 0.435 176.683 176.117 0.218 0.000 1.025 31 I CA -0.635 60.726 61.300 0.103 0.000 1.086 31 I CB 1.831 39.846 38.000 0.025 0.000 1.268 31 I HN -0.004 nan 8.210 nan 0.000 0.440 32 E N 2.650 122.989 120.200 0.231 0.000 2.712 32 E HA 0.330 4.720 4.350 0.066 0.000 0.221 32 E C 0.233 177.020 176.600 0.313 0.000 0.943 32 E CA -0.433 56.200 56.400 0.388 0.000 1.259 32 E CB 0.987 30.837 29.700 0.249 0.000 1.167 32 E HN 0.831 nan 8.360 nan 0.000 0.569 33 G N 0.486 109.455 108.800 0.282 0.000 2.644 33 G HA2 0.392 4.392 3.960 0.066 0.000 0.307 33 G HA3 0.392 4.392 3.960 0.066 0.000 0.307 33 G C 0.761 175.772 174.900 0.185 0.000 1.250 33 G CA -0.546 44.784 45.100 0.384 0.000 0.996 33 G HN -0.058 nan 8.290 nan 0.000 0.489 34 V N 1.117 121.121 119.914 0.151 0.000 2.295 34 V HA -0.080 4.079 4.120 0.066 0.000 0.246 34 V C -0.152 175.943 176.094 0.001 0.000 1.049 34 V CA 2.211 64.535 62.300 0.041 0.000 1.024 34 V CB -0.895 30.969 31.823 0.069 0.000 0.648 34 V HN 0.523 nan 8.190 nan 0.000 0.447 35 P HA -0.126 nan 4.420 nan 0.000 0.215 35 P C 1.497 178.706 177.300 -0.152 0.000 1.157 35 P CA 1.285 64.277 63.100 -0.180 0.000 0.868 35 P CB 0.020 31.491 31.700 -0.382 0.000 0.788 36 E N -0.551 119.623 120.200 -0.042 0.000 2.058 36 E HA -0.133 4.256 4.350 0.066 0.000 0.194 36 E C 2.152 178.658 176.600 -0.157 0.000 0.997 36 E CA 1.656 58.011 56.400 -0.075 0.000 0.801 36 E CB -1.038 28.681 29.700 0.032 0.000 0.746 36 E HN 0.148 nan 8.360 nan 0.000 0.450 37 S N 0.606 116.221 115.700 -0.142 0.000 2.406 37 S HA -0.079 4.430 4.470 0.066 0.000 0.228 37 S C 1.579 176.042 174.600 -0.228 0.000 1.020 37 S CA 0.656 58.734 58.200 -0.203 0.000 0.965 37 S CB -0.267 62.807 63.200 -0.211 0.000 0.798 37 S HN 0.242 nan 8.310 nan 0.000 0.488 38 N N 1.649 120.220 118.700 -0.216 0.000 2.061 38 N HA -0.098 4.682 4.740 0.066 0.000 0.193 38 N C 1.732 176.983 175.510 -0.430 0.000 1.030 38 N CA 1.249 54.151 53.050 -0.246 0.000 0.856 38 N CB -0.785 37.605 38.487 -0.160 0.000 1.023 38 N HN 0.233 nan 8.380 nan 0.000 0.424 39 V N 0.257 119.809 119.914 -0.603 0.000 2.379 39 V HA -0.119 4.041 4.120 0.066 0.000 0.245 39 V C 2.462 178.343 176.094 -0.355 0.000 1.044 39 V CA 1.498 63.374 62.300 -0.707 0.000 1.036 39 V CB -0.731 30.666 31.823 -0.710 0.000 0.664 39 V HN 0.305 nan 8.190 nan 0.000 0.453 40 S N -0.379 115.177 115.700 -0.239 0.000 2.383 40 S HA -0.233 4.277 4.470 0.066 0.000 0.229 40 S C 2.161 176.734 174.600 -0.045 0.000 1.030 40 S CA 1.623 59.784 58.200 -0.065 0.000 1.002 40 S CB -0.275 62.879 63.200 -0.078 0.000 0.829 40 S HN 0.547 nan 8.310 nan 0.000 0.467 41 R N 0.357 120.767 120.500 -0.150 0.000 2.148 41 R HA -0.017 4.362 4.340 0.066 0.000 0.227 41 R C 1.462 177.754 176.300 -0.013 0.000 1.103 41 R CA 1.368 57.383 56.100 -0.142 0.000 0.983 41 R CB -0.223 29.765 30.300 -0.519 0.000 0.874 41 R HN 0.411 nan 8.270 nan 0.000 0.451 42 D N 0.157 120.525 120.400 -0.053 0.000 2.277 42 D HA -0.030 4.650 4.640 0.066 0.000 0.208 42 D C 1.755 178.053 176.300 -0.004 0.000 0.962 42 D CA 0.880 54.913 54.000 0.055 0.000 0.865 42 D CB 0.289 41.085 40.800 -0.008 0.000 0.939 42 D HN 0.215 nan 8.370 nan 0.000 0.510 43 L N -1.427 119.709 121.223 -0.145 0.000 2.362 43 L HA 0.170 4.550 4.340 0.066 0.000 0.204 43 L C 0.126 176.645 176.870 -0.584 0.000 1.060 43 L CA 0.329 54.926 54.840 -0.405 0.000 0.827 43 L CB 0.229 41.912 42.059 -0.626 0.000 1.027 43 L HN -0.171 nan 8.230 nan 0.000 0.474 44 F N 0.115 120.085 119.950 0.035 0.000 2.467 44 F HA 0.388 4.954 4.527 0.065 0.000 0.336 44 F C 0.092 175.930 175.800 0.063 0.000 1.123 44 F CA -0.659 57.375 58.000 0.055 0.000 0.964 44 F CB 1.672 40.714 39.000 0.071 0.000 1.136 44 F HN -0.163 nan 8.300 nan 0.000 0.447 45 E N 2.168 122.500 120.200 0.220 0.000 2.176 45 E HA 0.588 4.978 4.350 0.066 0.000 0.267 45 E C -0.107 176.665 176.600 0.286 0.000 0.893 45 E CA -0.573 55.977 56.400 0.250 0.000 0.761 45 E CB 1.501 31.372 29.700 0.286 0.000 1.133 45 E HN 0.808 nan 8.360 nan 0.000 0.409 46 G N 2.945 111.929 108.800 0.307 0.000 2.509 46 G HA2 0.137 4.136 3.960 0.066 0.000 0.269 46 G HA3 0.137 4.136 3.960 0.066 0.000 0.269 46 G C 0.890 175.940 174.900 0.249 0.000 1.416 46 G CA -0.496 44.843 45.100 0.398 0.000 1.052 46 G HN 0.605 nan 8.290 nan 0.000 0.542 47 L N -1.357 119.864 121.223 -0.004 0.000 2.012 47 L HA 0.026 4.405 4.340 0.066 0.000 0.210 47 L C 0.601 177.391 176.870 -0.134 0.000 1.073 47 L CA 0.835 55.489 54.840 -0.311 0.000 0.748 47 L CB -0.491 41.147 42.059 -0.701 0.000 0.891 47 L HN 0.112 nan 8.230 nan 0.000 0.431 48 L N -1.353 119.813 121.223 -0.095 0.000 2.323 48 L HA 0.544 4.924 4.340 0.066 0.000 0.265 48 L C -0.279 176.657 176.870 0.109 0.000 1.012 48 L CA -0.451 54.377 54.840 -0.020 0.000 0.820 48 L CB 2.002 43.992 42.059 -0.115 0.000 1.334 48 L HN -0.031 nan 8.230 nan 0.000 0.427 49 I N -3.160 117.502 120.570 0.153 0.000 3.108 49 I HA 0.693 4.902 4.170 0.066 0.000 0.312 49 I C -0.477 175.750 176.117 0.183 0.000 1.095 49 I CA -0.738 60.661 61.300 0.165 0.000 1.000 49 I CB 2.216 40.189 38.000 -0.046 0.000 1.229 49 I HN 0.337 nan 8.210 nan 0.000 0.454 50 S N 1.784 117.643 115.700 0.267 0.000 2.562 50 S HA 0.231 4.741 4.470 0.066 0.000 0.275 50 S C -0.482 174.214 174.600 0.160 0.000 1.281 50 S CA -0.639 57.716 58.200 0.259 0.000 1.045 50 S CB 0.803 64.203 63.200 0.332 0.000 0.962 50 S HN 0.798 nan 8.310 nan 0.000 0.503 51 D N 0.875 121.380 120.400 0.174 0.000 2.398 51 D HA 0.013 4.693 4.640 0.066 0.000 0.264 51 D C 1.580 177.962 176.300 0.136 0.000 1.263 51 D CA -0.559 53.528 54.000 0.145 0.000 1.037 51 D CB -0.310 40.618 40.800 0.214 0.000 1.101 51 D HN 0.269 nan 8.370 nan 0.000 0.551 52 V N -3.170 116.818 119.914 0.122 0.000 3.078 52 V HA -0.032 4.128 4.120 0.066 0.000 0.265 52 V C 1.315 177.428 176.094 0.030 0.000 1.122 52 V CA 1.310 63.670 62.300 0.101 0.000 1.141 52 V CB -1.178 30.702 31.823 0.096 0.000 0.735 52 V HN 0.517 nan 8.190 nan 0.000 0.498 53 E N 0.538 120.732 120.200 -0.011 0.000 2.498 53 E HA 0.391 4.781 4.350 0.066 0.000 0.203 53 E C 1.584 178.032 176.600 -0.254 0.000 1.013 53 E CA 0.439 56.755 56.400 -0.140 0.000 0.927 53 E CB 0.736 30.354 29.700 -0.137 0.000 1.012 53 E HN 0.738 nan 8.360 nan 0.000 0.482 54 G N 1.941 110.669 108.800 -0.119 0.000 2.175 54 G HA2 -0.210 3.790 3.960 0.066 0.000 0.244 54 G HA3 -0.210 3.790 3.960 0.066 0.000 0.244 54 G C 0.009 174.890 174.900 -0.030 0.000 0.982 54 G CA -0.282 44.785 45.100 -0.053 0.000 0.641 54 G HN 0.343 nan 8.290 nan 0.000 0.527 55 H N 1.122 120.287 119.070 0.158 0.000 2.683 55 H HA 0.322 4.898 4.556 0.034 0.000 0.339 55 H C -2.321 173.144 175.328 0.228 0.000 1.081 55 H CA -1.499 54.663 56.048 0.190 0.000 1.432 55 H CB 0.702 30.574 29.762 0.183 0.000 1.462 55 H HN 0.113 nan 8.280 nan 0.000 0.557 56 P HA 0.032 nan 4.420 nan 0.000 0.264 56 P C -0.463 177.090 177.300 0.422 0.000 1.193 56 P CA 0.506 63.830 63.100 0.375 0.000 0.763 56 P CB 0.721 32.699 31.700 0.464 0.000 0.810 57 S N 3.737 119.657 115.700 0.366 0.000 2.638 57 S HA 0.549 5.059 4.470 0.066 0.000 0.274 57 S C -2.851 172.000 174.600 0.419 0.000 1.157 57 S CA -1.543 56.903 58.200 0.410 0.000 0.826 57 S CB 1.154 64.531 63.200 0.294 0.000 1.139 57 S HN 0.186 nan 8.310 nan 0.000 0.474 58 P HA 0.185 nan 4.420 nan 0.000 0.262 58 P C 0.035 177.523 177.300 0.313 0.000 1.182 58 P CA 0.462 63.830 63.100 0.446 0.000 0.761 58 P CB 0.261 32.153 31.700 0.320 0.000 0.795 59 G N 1.628 110.569 108.800 0.236 0.000 3.306 59 G HA2 0.113 4.112 3.960 0.066 0.000 0.202 59 G HA3 0.113 4.112 3.960 0.066 0.000 0.202 59 G C 1.061 176.055 174.900 0.156 0.000 1.673 59 G CA -0.251 45.012 45.100 0.271 0.000 0.776 59 G HN 0.260 nan 8.290 nan 0.000 0.740 60 V N 1.919 121.906 119.914 0.121 0.000 2.427 60 V HA 0.123 4.283 4.120 0.066 0.000 0.248 60 V C 1.925 177.963 176.094 -0.094 0.000 1.051 60 V CA 1.439 63.730 62.300 -0.014 0.000 1.048 60 V CB -0.846 31.044 31.823 0.110 0.000 0.666 60 V HN 0.608 nan 8.190 nan 0.000 0.456 61 A N 0.946 123.757 122.820 -0.016 0.000 2.404 61 A HA 0.236 4.596 4.320 0.066 0.000 0.273 61 A C 1.297 179.021 177.584 0.233 0.000 1.144 61 A CA -0.012 52.110 52.037 0.142 0.000 0.806 61 A CB 0.046 19.220 19.000 0.289 0.000 1.080 61 A HN 0.666 nan 8.150 nan 0.000 0.509 62 E N 2.903 123.182 120.200 0.132 0.000 2.230 62 E HA 0.016 4.406 4.350 0.066 0.000 0.192 62 E C 0.309 176.990 176.600 0.136 0.000 0.987 62 E CA 0.585 57.026 56.400 0.069 0.000 0.841 62 E CB 0.015 29.662 29.700 -0.088 0.000 0.783 62 E HN 0.609 nan 8.360 nan 0.000 0.481 63 K N 0.043 120.589 120.400 0.243 0.000 2.575 63 K HA 0.387 4.747 4.320 0.066 0.000 0.279 63 K C -1.832 174.992 176.600 0.373 0.000 0.969 63 K CA -0.821 55.484 56.287 0.032 0.000 0.868 63 K CB 1.130 33.553 32.500 -0.127 0.000 1.457 63 K HN 0.189 nan 8.250 nan 0.000 0.426 64 W N -0.053 121.321 121.300 0.123 0.000 3.137 64 W HA 0.688 5.382 4.660 0.058 0.000 0.324 64 W C -1.354 175.127 176.519 -0.063 0.000 1.253 64 W CA -0.614 56.721 57.345 -0.016 0.000 1.183 64 W CB 0.976 30.356 29.460 -0.134 0.000 1.424 64 W HN 0.590 nan 8.180 nan 0.000 0.566 65 E N 1.195 121.415 120.200 0.033 0.000 2.416 65 E HA 0.513 4.902 4.350 0.066 0.000 0.273 65 E C -1.218 175.214 176.600 -0.281 0.000 0.935 65 E CA -1.158 55.176 56.400 -0.109 0.000 0.784 65 E CB 2.039 31.671 29.700 -0.113 0.000 1.301 65 E HN 0.528 nan 8.360 nan 0.000 0.454 66 N N -0.599 117.805 118.700 -0.495 0.000 2.262 66 N HA 0.586 5.366 4.740 0.066 0.000 0.295 66 N C -1.487 173.643 175.510 -0.633 0.000 1.161 66 N CA -1.049 51.467 53.050 -0.891 0.000 0.767 66 N CB 1.589 39.002 38.487 -1.791 0.000 1.499 66 N HN 0.154 nan 8.380 nan 0.000 0.476 67 K N 0.976 121.030 120.400 -0.577 0.000 2.507 67 K HA 0.328 4.688 4.320 0.066 0.000 0.253 67 K C -1.059 175.300 176.600 -0.402 0.000 0.969 67 K CA -0.326 55.717 56.287 -0.407 0.000 0.908 67 K CB -0.020 32.321 32.500 -0.264 0.000 1.127 67 K HN 0.661 nan 8.250 nan 0.000 0.437 68 D N 4.472 124.587 120.400 -0.476 0.000 2.911 68 D HA -0.257 4.423 4.640 0.066 0.000 0.227 68 D C -0.432 175.706 176.300 -0.270 0.000 1.164 68 D CA 1.318 55.082 54.000 -0.393 0.000 0.782 68 D CB -1.539 39.162 40.800 -0.165 0.000 1.094 68 D HN 0.825 nan 8.370 nan 0.000 0.425 69 F N -2.242 117.595 119.950 -0.189 0.000 3.048 69 F HA -0.347 4.219 4.527 0.065 0.000 0.287 69 F C 1.646 177.551 175.800 0.175 0.000 0.796 69 F CA 1.564 59.554 58.000 -0.016 0.000 1.111 69 F CB -1.696 37.431 39.000 0.211 0.000 1.320 69 F HN 0.183 nan 8.300 nan 0.000 0.430 70 K N -0.799 119.642 120.400 0.068 0.000 2.424 70 K HA 0.358 4.717 4.320 0.066 0.000 0.198 70 K C 0.154 176.800 176.600 0.076 0.000 1.190 70 K CA 0.563 56.918 56.287 0.113 0.000 0.935 70 K CB 1.177 33.698 32.500 0.034 0.000 1.087 70 K HN 0.036 nan 8.250 nan 0.000 0.524 71 V N 1.864 121.710 119.914 -0.115 0.000 2.350 71 V HA 0.271 4.431 4.120 0.066 0.000 0.285 71 V C -1.526 174.427 176.094 -0.235 0.000 1.014 71 V CA -0.740 61.510 62.300 -0.084 0.000 0.831 71 V CB 0.723 32.481 31.823 -0.108 0.000 1.000 71 V HN 0.166 nan 8.190 nan 0.000 0.433 72 W N 2.494 123.738 121.300 -0.093 0.000 2.429 72 W HA 0.656 5.355 4.660 0.064 0.000 0.314 72 W C 0.259 176.585 176.519 -0.323 0.000 1.062 72 W CA -0.422 56.831 57.345 -0.154 0.000 1.211 72 W CB 1.894 31.410 29.460 0.094 0.000 1.305 72 W HN 0.361 nan 8.180 nan 0.000 0.476 73 T N 4.290 118.649 114.554 -0.324 0.000 2.786 73 T HA 0.494 4.883 4.350 0.066 0.000 0.283 73 T C -1.096 173.268 174.700 -0.561 0.000 0.992 73 T CA -0.514 61.372 62.100 -0.356 0.000 0.954 73 T CB 0.290 69.001 68.868 -0.263 0.000 0.934 73 T HN -0.016 nan 8.240 nan 0.000 0.440 74 F N 2.836 122.718 119.950 -0.113 0.000 2.411 74 F HA 0.330 4.896 4.527 0.064 0.000 0.352 74 F C 0.956 176.637 175.800 -0.199 0.000 1.123 74 F CA -1.001 56.985 58.000 -0.022 0.000 1.044 74 F CB 1.050 40.081 39.000 0.051 0.000 1.135 74 F HN 0.498 nan 8.300 nan 0.000 0.461 75 H N 5.552 124.785 119.070 0.273 0.000 2.761 75 H HA 0.305 4.900 4.556 0.065 0.000 0.284 75 H C -0.181 175.225 175.328 0.130 0.000 1.105 75 H CA -0.335 55.807 56.048 0.156 0.000 1.352 75 H CB 0.723 30.532 29.762 0.078 0.000 1.423 75 H HN 0.453 nan 8.280 nan 0.000 0.464 76 L N 4.025 125.353 121.223 0.176 0.000 2.349 76 L HA 0.245 4.624 4.340 0.066 0.000 0.275 76 L C 1.206 178.082 176.870 0.010 0.000 1.115 76 L CA -0.640 54.251 54.840 0.086 0.000 0.820 76 L CB 0.653 42.774 42.059 0.104 0.000 1.135 76 L HN 0.478 nan 8.230 nan 0.000 0.445 77 R N 1.991 122.417 120.500 -0.123 0.000 2.570 77 R HA 0.032 4.411 4.340 0.066 0.000 0.277 77 R C 0.238 176.410 176.300 -0.213 0.000 1.039 77 R CA -0.245 55.718 56.100 -0.229 0.000 1.065 77 R CB 0.674 30.708 30.300 -0.443 0.000 0.964 77 R HN 0.660 nan 8.270 nan 0.000 0.428 78 E N 1.310 121.336 120.200 -0.290 0.000 2.204 78 E HA -0.182 4.208 4.350 0.066 0.000 0.195 78 E C 0.671 177.188 176.600 -0.139 0.000 0.990 78 E CA 1.332 57.501 56.400 -0.385 0.000 0.821 78 E CB 0.046 29.519 29.700 -0.378 0.000 0.750 78 E HN 0.759 nan 8.360 nan 0.000 0.477 79 N N 0.461 119.101 118.700 -0.099 0.000 2.276 79 N HA 0.049 4.828 4.740 0.066 0.000 0.212 79 N C -0.379 175.151 175.510 0.034 0.000 1.127 79 N CA 0.026 53.072 53.050 -0.007 0.000 0.834 79 N CB 0.208 38.704 38.487 0.015 0.000 1.014 79 N HN -0.094 nan 8.380 nan 0.000 0.491 80 A N 0.725 123.536 122.820 -0.015 0.000 2.454 80 A HA 0.416 4.776 4.320 0.066 0.000 0.260 80 A C 0.030 177.652 177.584 0.064 0.000 1.106 80 A CA -0.077 51.978 52.037 0.029 0.000 0.780 80 A CB 0.261 19.231 19.000 -0.049 0.000 1.044 80 A HN 0.363 nan 8.150 nan 0.000 0.498 81 K N 1.283 121.735 120.400 0.086 0.000 2.444 81 K HA 0.452 4.811 4.320 0.066 0.000 0.252 81 K C -1.246 175.374 176.600 0.032 0.000 0.993 81 K CA -0.548 55.791 56.287 0.087 0.000 0.847 81 K CB 1.543 34.133 32.500 0.151 0.000 1.340 81 K HN 0.754 nan 8.250 nan 0.000 0.446 82 W N 0.299 121.685 121.300 0.143 0.000 2.089 82 W HA 0.055 4.757 4.660 0.069 0.000 0.362 82 W C 1.679 178.261 176.519 0.104 0.000 1.362 82 W CA -0.097 57.324 57.345 0.127 0.000 1.460 82 W CB 0.599 30.125 29.460 0.110 0.000 1.204 82 W HN 0.725 nan 8.180 nan 0.000 0.657 83 S N -0.505 115.416 115.700 0.368 0.000 2.507 83 S HA -0.211 4.298 4.470 0.066 0.000 0.235 83 S C 0.864 175.572 174.600 0.180 0.000 0.988 83 S CA 1.355 59.682 58.200 0.211 0.000 0.944 83 S CB -0.531 62.765 63.200 0.159 0.000 0.762 83 S HN 0.588 nan 8.310 nan 0.000 0.526 84 D N 0.029 120.556 120.400 0.210 0.000 2.328 84 D HA 0.290 4.969 4.640 0.066 0.000 0.221 84 D C 1.387 177.774 176.300 0.145 0.000 1.072 84 D CA 0.428 54.515 54.000 0.145 0.000 0.850 84 D CB -0.558 40.308 40.800 0.111 0.000 0.922 84 D HN 0.494 nan 8.370 nan 0.000 0.516 85 G N 0.307 109.213 108.800 0.178 0.000 2.199 85 G HA2 -0.294 3.706 3.960 0.066 0.000 0.254 85 G HA3 -0.294 3.706 3.960 0.066 0.000 0.254 85 G C 0.559 175.567 174.900 0.180 0.000 0.982 85 G CA 0.588 45.781 45.100 0.156 0.000 0.632 85 G HN 0.804 nan 8.290 nan 0.000 0.529 86 T N -0.066 114.625 114.554 0.229 0.000 2.904 86 T HA 0.599 4.988 4.350 0.066 0.000 0.290 86 T C -2.256 172.651 174.700 0.346 0.000 1.018 86 T CA -1.339 60.907 62.100 0.244 0.000 1.075 86 T CB 2.075 71.059 68.868 0.193 0.000 0.986 86 T HN 0.093 nan 8.240 nan 0.000 0.523 87 P HA 0.254 nan 4.420 nan 0.000 0.269 87 P C -0.666 176.835 177.300 0.336 0.000 1.209 87 P CA -0.518 62.741 63.100 0.266 0.000 0.776 87 P CB 0.394 32.233 31.700 0.231 0.000 0.876 88 V N 3.270 123.275 119.914 0.153 0.000 2.406 88 V HA 0.356 4.516 4.120 0.066 0.000 0.272 88 V C 0.883 177.092 176.094 0.192 0.000 1.043 88 V CA 0.089 62.427 62.300 0.063 0.000 0.915 88 V CB 0.600 32.286 31.823 -0.228 0.000 0.988 88 V HN 0.736 nan 8.190 nan 0.000 0.466 89 T N 1.933 116.632 114.554 0.242 0.000 2.883 89 T HA 0.678 5.068 4.350 0.066 0.000 0.284 89 T C 1.151 175.940 174.700 0.149 0.000 1.041 89 T CA -0.051 62.146 62.100 0.162 0.000 1.007 89 T CB 1.953 70.921 68.868 0.166 0.000 1.220 89 T HN 0.569 nan 8.240 nan 0.000 0.552 90 A N -0.147 122.664 122.820 -0.014 0.000 2.019 90 A HA -0.074 4.286 4.320 0.066 0.000 0.219 90 A C 2.110 179.670 177.584 -0.039 0.000 1.164 90 A CA 1.215 53.236 52.037 -0.028 0.000 0.644 90 A CB -1.296 17.683 19.000 -0.035 0.000 0.805 90 A HN 0.942 nan 8.150 nan 0.000 0.449 91 H N 0.348 119.505 119.070 0.145 0.000 2.421 91 H HA -0.106 4.490 4.556 0.066 0.000 0.298 91 H C 1.324 176.734 175.328 0.137 0.000 1.087 91 H CA 1.470 57.599 56.048 0.134 0.000 1.330 91 H CB -0.259 29.555 29.762 0.087 0.000 1.388 91 H HN 0.491 nan 8.280 nan 0.000 0.526 92 D N 0.478 121.012 120.400 0.223 0.000 2.117 92 D HA -0.123 4.556 4.640 0.066 0.000 0.197 92 D C 2.029 178.328 176.300 -0.001 0.000 0.987 92 D CA 0.838 54.933 54.000 0.157 0.000 0.829 92 D CB -0.436 40.497 40.800 0.222 0.000 0.961 92 D HN 0.282 nan 8.370 nan 0.000 0.460 93 F N 0.675 120.506 119.950 -0.199 0.000 2.259 93 F HA -0.117 4.449 4.527 0.065 0.000 0.298 93 F C 2.488 178.041 175.800 -0.410 0.000 1.088 93 F CA 0.308 57.938 58.000 -0.616 0.000 1.358 93 F CB -0.407 37.599 39.000 -1.657 0.000 1.040 93 F HN -0.188 nan 8.300 nan 0.000 0.505 94 V N -0.594 119.383 119.914 0.106 0.000 2.261 94 V HA -0.339 3.821 4.120 0.066 0.000 0.246 94 V C 2.094 178.348 176.094 0.266 0.000 1.047 94 V CA 2.097 64.580 62.300 0.305 0.000 1.015 94 V CB -0.879 31.141 31.823 0.328 0.000 0.642 94 V HN 0.417 nan 8.190 nan 0.000 0.446 95 Y N 1.402 121.783 120.300 0.136 0.000 2.128 95 Y HA -0.254 4.335 4.550 0.065 0.000 0.284 95 Y C 2.695 178.683 175.900 0.146 0.000 1.154 95 Y CA 1.981 60.147 58.100 0.110 0.000 1.149 95 Y CB -0.483 38.010 38.460 0.056 0.000 0.976 95 Y HN 0.220 nan 8.280 nan 0.000 0.505 96 S N -0.405 115.358 115.700 0.104 0.000 2.356 96 S HA -0.193 4.317 4.470 0.066 0.000 0.223 96 S C 1.529 176.295 174.600 0.277 0.000 1.032 96 S CA 1.433 59.719 58.200 0.144 0.000 1.005 96 S CB -0.688 62.653 63.200 0.234 0.000 0.867 96 S HN 0.650 nan 8.310 nan 0.000 0.449 97 W N 2.283 123.615 121.300 0.055 0.000 2.402 97 W HA 0.043 4.741 4.660 0.064 0.000 0.286 97 W C 2.438 178.936 176.519 -0.035 0.000 1.221 97 W CA -0.018 57.368 57.345 0.067 0.000 1.257 97 W CB -1.109 28.493 29.460 0.237 0.000 1.120 97 W HN 0.413 nan 8.180 nan 0.000 0.551 98 Q N -0.156 119.743 119.800 0.166 0.000 2.084 98 Q HA -0.195 4.184 4.340 0.066 0.000 0.202 98 Q C 2.303 178.231 176.000 -0.121 0.000 0.978 98 Q CA 1.682 57.504 55.803 0.033 0.000 0.844 98 Q CB -0.443 28.316 28.738 0.035 0.000 0.898 98 Q HN 0.266 nan 8.270 nan 0.000 0.426 99 R N 0.585 120.913 120.500 -0.287 0.000 2.081 99 R HA -0.177 4.202 4.340 0.066 0.000 0.235 99 R C 2.239 178.271 176.300 -0.445 0.000 1.131 99 R CA 1.043 56.919 56.100 -0.374 0.000 0.960 99 R CB -0.248 29.765 30.300 -0.477 0.000 0.856 99 R HN 0.223 nan 8.270 nan 0.000 0.436 100 L N 0.636 121.461 121.223 -0.663 0.000 2.046 100 L HA -0.066 4.313 4.340 0.066 0.000 0.208 100 L C 2.183 178.895 176.870 -0.263 0.000 1.077 100 L CA 2.250 56.717 54.840 -0.622 0.000 0.747 100 L CB -0.671 41.082 42.059 -0.510 0.000 0.896 100 L HN 0.246 nan 8.230 nan 0.000 0.432 101 A N -1.415 121.311 122.820 -0.158 0.000 1.968 101 A HA -0.116 4.243 4.320 0.066 0.000 0.217 101 A C 1.073 178.614 177.584 -0.071 0.000 1.169 101 A CA 0.672 52.660 52.037 -0.081 0.000 0.638 101 A CB -0.767 18.222 19.000 -0.019 0.000 0.812 101 A HN 0.514 nan 8.150 nan 0.000 0.446 102 D N 0.115 120.465 120.400 -0.083 0.000 2.434 102 D HA 0.096 4.775 4.640 0.066 0.000 0.252 102 D C -1.553 174.716 176.300 -0.052 0.000 1.185 102 D CA -1.691 52.275 54.000 -0.057 0.000 0.886 102 D CB 1.085 41.846 40.800 -0.065 0.000 1.148 102 D HN 0.056 nan 8.370 nan 0.000 0.483 103 P HA -0.117 nan 4.420 nan 0.000 0.219 103 P C 0.871 178.157 177.300 -0.024 0.000 1.146 103 P CA 0.717 63.799 63.100 -0.029 0.000 0.808 103 P CB 0.312 32.001 31.700 -0.019 0.000 0.779 104 N N -0.998 117.691 118.700 -0.018 0.000 2.289 104 N HA -0.080 4.700 4.740 0.066 0.000 0.184 104 N C 1.472 176.979 175.510 -0.006 0.000 1.016 104 N CA 1.334 54.379 53.050 -0.008 0.000 0.872 104 N CB -1.000 37.487 38.487 -0.001 0.000 0.973 104 N HN 0.188 nan 8.380 nan 0.000 0.433 105 T N 0.417 114.959 114.554 -0.021 0.000 2.951 105 T HA 0.108 4.497 4.350 0.066 0.000 0.268 105 T C 1.049 175.745 174.700 -0.007 0.000 1.073 105 T CA 0.867 62.961 62.100 -0.009 0.000 1.134 105 T CB -0.237 68.601 68.868 -0.049 0.000 0.884 105 T HN 0.381 nan 8.240 nan 0.000 0.479 106 A N 1.661 124.464 122.820 -0.027 0.000 2.791 106 A HA -0.152 4.208 4.320 0.066 0.000 0.292 106 A C 0.912 178.470 177.584 -0.043 0.000 1.487 106 A CA 0.654 52.668 52.037 -0.039 0.000 0.760 106 A CB -2.282 16.700 19.000 -0.031 0.000 1.031 106 A HN 0.515 nan 8.150 nan 0.000 0.503 107 S N 0.283 115.961 115.700 -0.038 0.000 2.549 107 S HA 0.442 4.952 4.470 0.066 0.000 0.283 107 S C -0.147 174.430 174.600 -0.037 0.000 1.320 107 S CA -0.550 57.645 58.200 -0.008 0.000 1.058 107 S CB 0.622 63.819 63.200 -0.005 0.000 0.882 107 S HN 0.447 nan 8.310 nan 0.000 0.498 108 P HA -0.021 nan 4.420 nan 0.000 0.230 108 P C 0.093 177.348 177.300 -0.075 0.000 1.158 108 P CA 0.995 64.025 63.100 -0.118 0.000 0.769 108 P CB -0.061 31.581 31.700 -0.095 0.000 0.807 109 Y N -0.737 119.557 120.300 -0.009 0.000 2.681 109 Y HA 0.428 5.019 4.550 0.067 0.000 0.267 109 Y C 2.210 178.066 175.900 -0.072 0.000 1.166 109 Y CA -0.296 57.801 58.100 -0.006 0.000 1.209 109 Y CB -0.041 38.437 38.460 0.029 0.000 1.161 109 Y HN -0.075 nan 8.280 nan 0.000 0.534 110 A N -0.634 122.195 122.820 0.016 0.000 1.940 110 A HA -0.201 4.159 4.320 0.066 0.000 0.219 110 A C 2.240 179.762 177.584 -0.102 0.000 1.176 110 A CA 2.197 54.203 52.037 -0.052 0.000 0.631 110 A CB -0.606 18.353 19.000 -0.069 0.000 0.814 110 A HN 0.345 nan 8.150 nan 0.000 0.446 111 S N -1.797 113.803 115.700 -0.167 0.000 2.547 111 S HA -0.072 4.437 4.470 0.066 0.000 0.235 111 S C 1.455 175.594 174.600 -0.769 0.000 0.980 111 S CA 0.654 58.640 58.200 -0.357 0.000 0.941 111 S CB -0.508 62.511 63.200 -0.301 0.000 0.763 111 S HN 0.646 nan 8.310 nan 0.000 0.532 112 Y N 2.228 122.160 120.300 -0.614 0.000 2.274 112 Y HA -0.047 4.542 4.550 0.064 0.000 0.290 112 Y C 1.675 177.348 175.900 -0.378 0.000 1.145 112 Y CA 1.024 58.795 58.100 -0.550 0.000 1.203 112 Y CB -0.317 38.019 38.460 -0.207 0.000 0.984 112 Y HN 0.220 nan 8.280 nan 0.000 0.533 113 L N -0.592 120.496 121.223 -0.226 0.000 2.291 113 L HA -0.206 4.173 4.340 0.066 0.000 0.214 113 L C 2.182 178.939 176.870 -0.188 0.000 1.120 113 L CA 1.041 55.769 54.840 -0.188 0.000 0.799 113 L CB -0.459 41.535 42.059 -0.107 0.000 0.925 113 L HN 0.267 nan 8.230 nan 0.000 0.446 114 Q N -1.034 118.624 119.800 -0.236 0.000 2.096 114 Q HA -0.150 4.230 4.340 0.066 0.000 0.197 114 Q C 2.112 177.924 176.000 -0.313 0.000 0.964 114 Q CA 1.170 56.853 55.803 -0.199 0.000 0.838 114 Q CB -0.110 28.577 28.738 -0.085 0.000 0.906 114 Q HN 0.421 nan 8.270 nan 0.000 0.444 115 Y N 0.121 120.233 120.300 -0.314 0.000 2.207 115 Y HA -0.081 4.507 4.550 0.065 0.000 0.287 115 Y C 2.384 178.028 175.900 -0.426 0.000 1.156 115 Y CA 1.148 59.055 58.100 -0.322 0.000 1.182 115 Y CB -1.061 37.280 38.460 -0.197 0.000 0.979 115 Y HN 0.146 nan 8.280 nan 0.000 0.521 116 G N -2.539 106.124 108.800 -0.228 0.000 2.880 116 G HA2 -0.027 3.973 3.960 0.066 0.000 0.209 116 G HA3 -0.027 3.973 3.960 0.066 0.000 0.209 116 G C -0.304 174.546 174.900 -0.083 0.000 1.157 116 G CA 0.271 45.343 45.100 -0.047 0.000 0.779 116 G HN 0.666 nan 8.290 nan 0.000 0.539 117 H N -1.618 117.449 119.070 -0.005 0.000 2.839 117 H HA -0.136 4.459 4.556 0.066 0.000 0.298 117 H C 0.031 175.332 175.328 -0.045 0.000 1.224 117 H CA -0.161 55.876 56.048 -0.018 0.000 1.144 117 H CB -2.004 27.744 29.762 -0.023 0.000 1.372 117 H HN 0.299 nan 8.280 nan 0.000 0.408 118 I N 0.852 121.433 120.570 0.019 0.000 2.752 118 I HA 0.102 4.312 4.170 0.066 0.000 0.287 118 I C 1.297 177.452 176.117 0.064 0.000 1.188 118 I CA 0.999 62.327 61.300 0.047 0.000 1.427 118 I CB 0.371 38.452 38.000 0.135 0.000 1.365 118 I HN 0.473 nan 8.210 nan 0.000 0.585 119 A N 5.488 128.341 122.820 0.056 0.000 2.531 119 A HA 0.133 4.492 4.320 0.066 0.000 0.236 119 A C 1.105 178.722 177.584 0.056 0.000 1.062 119 A CA 0.055 52.123 52.037 0.052 0.000 0.760 119 A CB -0.305 18.718 19.000 0.037 0.000 0.995 119 A HN 0.899 nan 8.150 nan 0.000 0.501 120 N N -0.582 118.148 118.700 0.049 0.000 2.863 120 N HA -0.225 4.555 4.740 0.066 0.000 0.245 120 N C 0.562 176.097 175.510 0.042 0.000 1.001 120 N CA 1.243 54.320 53.050 0.044 0.000 0.901 120 N CB -1.462 37.050 38.487 0.042 0.000 1.124 120 N HN 0.812 nan 8.380 nan 0.000 0.582 121 I N 1.456 122.053 120.570 0.044 0.000 2.286 121 I HA -0.169 4.041 4.170 0.066 0.000 0.248 121 I C 1.675 177.803 176.117 0.020 0.000 1.115 121 I CA 1.801 63.117 61.300 0.028 0.000 1.392 121 I CB -0.081 37.927 38.000 0.012 0.000 1.065 121 I HN 0.043 nan 8.210 nan 0.000 0.418 122 D N 0.710 121.129 120.400 0.030 0.000 2.104 122 D HA -0.195 4.485 4.640 0.066 0.000 0.194 122 D C 1.836 178.148 176.300 0.021 0.000 0.994 122 D CA 1.580 55.597 54.000 0.028 0.000 0.830 122 D CB -0.441 40.384 40.800 0.042 0.000 0.959 122 D HN 0.374 nan 8.370 nan 0.000 0.452 123 D N -0.050 120.365 120.400 0.024 0.000 2.178 123 D HA -0.059 4.621 4.640 0.066 0.000 0.201 123 D C 2.225 178.534 176.300 0.015 0.000 0.980 123 D CA 0.293 54.305 54.000 0.019 0.000 0.842 123 D CB -0.154 40.659 40.800 0.021 0.000 0.948 123 D HN 0.273 nan 8.370 nan 0.000 0.472 124 I N 0.287 120.867 120.570 0.016 0.000 2.202 124 I HA -0.187 4.022 4.170 0.066 0.000 0.242 124 I C 2.293 178.411 176.117 0.001 0.000 1.091 124 I CA 0.617 61.924 61.300 0.011 0.000 1.368 124 I CB -0.037 37.972 38.000 0.015 0.000 1.058 124 I HN -0.043 nan 8.210 nan 0.000 0.410 125 I N 0.870 121.438 120.570 -0.003 0.000 2.286 125 I HA -0.271 3.939 4.170 0.066 0.000 0.248 125 I C 2.528 178.642 176.117 -0.006 0.000 1.115 125 I CA 1.311 62.605 61.300 -0.011 0.000 1.392 125 I CB -0.379 37.612 38.000 -0.016 0.000 1.065 125 I HN 0.176 nan 8.210 nan 0.000 0.418 126 A N 0.288 123.109 122.820 0.001 0.000 2.239 126 A HA 0.173 4.533 4.320 0.066 0.000 0.209 126 A C 1.892 179.478 177.584 0.003 0.000 1.171 126 A CA 0.901 52.940 52.037 0.004 0.000 0.768 126 A CB -0.792 18.213 19.000 0.008 0.000 0.790 126 A HN 0.609 nan 8.150 nan 0.000 0.478 127 G N -0.630 108.172 108.800 0.003 0.000 2.143 127 G HA2 -0.309 3.690 3.960 0.066 0.000 0.248 127 G HA3 -0.309 3.690 3.960 0.066 0.000 0.248 127 G C 0.869 175.773 174.900 0.007 0.000 0.991 127 G CA 0.849 45.951 45.100 0.004 0.000 0.689 127 G HN 0.570 nan 8.290 nan 0.000 0.522 128 K N -0.530 119.875 120.400 0.009 0.000 2.243 128 K HA 0.108 4.467 4.320 0.066 0.000 0.201 128 K C 1.063 177.671 176.600 0.013 0.000 1.051 128 K CA 0.796 57.089 56.287 0.011 0.000 0.970 128 K CB 0.207 32.714 32.500 0.012 0.000 0.755 128 K HN 0.377 nan 8.250 nan 0.000 0.465 129 K N 0.879 121.288 120.400 0.014 0.000 2.435 129 K HA 0.309 4.668 4.320 0.066 0.000 0.251 129 K C -2.766 173.844 176.600 0.018 0.000 0.954 129 K CA -2.232 54.065 56.287 0.017 0.000 0.820 129 K CB 2.017 34.530 32.500 0.021 0.000 1.292 129 K HN -0.172 nan 8.250 nan 0.000 0.436 130 P HA 0.008 nan 4.420 nan 0.000 0.272 130 P C -0.034 177.282 177.300 0.026 0.000 1.223 130 P CA -0.037 63.076 63.100 0.022 0.000 0.784 130 P CB 1.052 32.767 31.700 0.024 0.000 0.923 131 A N 2.549 125.383 122.820 0.023 0.000 2.024 131 A HA -0.153 4.206 4.320 0.066 0.000 0.220 131 A C 1.876 179.490 177.584 0.050 0.000 1.164 131 A CA 2.225 54.278 52.037 0.028 0.000 0.643 131 A CB -1.893 17.112 19.000 0.008 0.000 0.806 131 A HN 0.686 nan 8.150 nan 0.000 0.451 132 T N -2.644 111.942 114.554 0.052 0.000 3.098 132 T HA -0.073 4.316 4.350 0.066 0.000 0.266 132 T C 0.801 175.539 174.700 0.063 0.000 1.145 132 T CA 1.325 63.464 62.100 0.066 0.000 1.092 132 T CB -0.311 68.594 68.868 0.061 0.000 0.908 132 T HN 0.336 nan 8.240 nan 0.000 0.526 133 D N 0.365 120.796 120.400 0.053 0.000 2.349 133 D HA 0.221 4.901 4.640 0.066 0.000 0.224 133 D C 0.489 176.824 176.300 0.059 0.000 1.029 133 D CA -0.216 53.813 54.000 0.049 0.000 0.879 133 D CB -0.294 40.529 40.800 0.038 0.000 0.906 133 D HN 0.331 nan 8.370 nan 0.000 0.528 134 L N 0.546 121.815 121.223 0.076 0.000 2.506 134 L HA 0.217 4.596 4.340 0.066 0.000 0.281 134 L C 1.322 178.249 176.870 0.096 0.000 1.228 134 L CA 0.232 55.130 54.840 0.097 0.000 0.850 134 L CB 0.748 42.891 42.059 0.140 0.000 1.110 134 L HN 0.032 nan 8.230 nan 0.000 0.496 135 G N 5.071 113.926 108.800 0.091 0.000 3.263 135 G HA2 0.387 4.387 3.960 0.066 0.000 0.246 135 G HA3 0.387 4.387 3.960 0.066 0.000 0.246 135 G C -0.407 174.517 174.900 0.040 0.000 0.982 135 G CA 0.406 45.541 45.100 0.059 0.000 1.897 135 G HN 0.725 nan 8.290 nan 0.000 0.624 136 V N -2.036 117.902 119.914 0.039 0.000 2.735 136 V HA 0.964 5.123 4.120 0.066 0.000 0.310 136 V C -0.650 175.412 176.094 -0.054 0.000 1.061 136 V CA -1.423 60.827 62.300 -0.084 0.000 0.913 136 V CB 2.004 33.851 31.823 0.041 0.000 1.005 136 V HN 0.502 nan 8.190 nan 0.000 0.428 137 K N 2.832 123.130 120.400 -0.169 0.000 2.551 137 K HA 0.896 5.255 4.320 0.066 0.000 0.269 137 K C -1.032 175.562 176.600 -0.010 0.000 0.949 137 K CA -0.532 55.743 56.287 -0.021 0.000 0.849 137 K CB 2.407 34.902 32.500 -0.009 0.000 1.411 137 K HN 1.306 nan 8.250 nan 0.000 0.432 138 A N 3.003 125.868 122.820 0.075 0.000 2.252 138 A HA 0.392 4.751 4.320 0.066 0.000 0.309 138 A C 0.601 178.188 177.584 0.006 0.000 1.285 138 A CA -0.948 51.095 52.037 0.009 0.000 0.900 138 A CB -0.098 18.750 19.000 -0.253 0.000 1.157 138 A HN 0.790 nan 8.150 nan 0.000 0.536 139 L N 1.011 122.232 121.223 -0.003 0.000 2.313 139 L HA 0.125 4.505 4.340 0.066 0.000 0.214 139 L C 0.443 177.333 176.870 0.034 0.000 1.119 139 L CA 0.833 55.683 54.840 0.017 0.000 0.809 139 L CB -0.424 41.640 42.059 0.009 0.000 0.933 139 L HN 0.934 nan 8.230 nan 0.000 0.449 140 D N -4.563 115.841 120.400 0.007 0.000 2.779 140 D HA 0.045 4.725 4.640 0.066 0.000 0.331 140 D C -0.020 176.216 176.300 -0.107 0.000 1.331 140 D CA -0.612 53.397 54.000 0.014 0.000 0.866 140 D CB 0.187 41.016 40.800 0.049 0.000 1.409 140 D HN -0.345 nan 8.370 nan 0.000 0.486 141 D N -1.373 118.950 120.400 -0.128 0.000 2.182 141 D HA -0.105 4.574 4.640 0.066 0.000 0.201 141 D C 0.546 176.583 176.300 -0.438 0.000 0.986 141 D CA 1.298 55.103 54.000 -0.324 0.000 0.847 141 D CB -0.085 40.458 40.800 -0.428 0.000 0.942 141 D HN 0.405 nan 8.370 nan 0.000 0.467 142 H N -1.160 117.935 119.070 0.042 0.000 2.512 142 H HA 0.310 4.906 4.556 0.066 0.000 0.276 142 H C -0.205 175.160 175.328 0.063 0.000 1.126 142 H CA 0.097 56.176 56.048 0.052 0.000 1.060 142 H CB 0.344 30.142 29.762 0.060 0.000 1.646 142 H HN -0.124 nan 8.280 nan 0.000 0.571 143 T N 1.226 115.837 114.554 0.096 0.000 2.949 143 T HA 0.229 4.619 4.350 0.066 0.000 0.300 143 T C -0.984 173.768 174.700 0.087 0.000 0.988 143 T CA -0.529 61.616 62.100 0.074 0.000 0.993 143 T CB 1.273 70.179 68.868 0.063 0.000 0.984 143 T HN 0.152 nan 8.240 nan 0.000 0.442 144 F N 2.812 122.721 119.950 -0.068 0.000 2.426 144 F HA 0.557 5.123 4.527 0.065 0.000 0.348 144 F C 0.144 175.970 175.800 0.043 0.000 1.124 144 F CA -0.645 57.311 58.000 -0.073 0.000 1.008 144 F CB 0.876 39.749 39.000 -0.212 0.000 1.139 144 F HN 0.482 nan 8.300 nan 0.000 0.452 145 E N 5.804 125.731 120.200 -0.455 0.000 2.158 145 E HA 0.502 4.892 4.350 0.066 0.000 0.271 145 E C -1.726 174.608 176.600 -0.444 0.000 0.911 145 E CA -0.752 55.460 56.400 -0.313 0.000 0.767 145 E CB 1.883 31.477 29.700 -0.177 0.000 1.120 145 E HN 0.502 nan 8.360 nan 0.000 0.405 146 V N 3.687 123.495 119.914 -0.176 0.000 2.459 146 V HA 0.354 4.513 4.120 0.066 0.000 0.295 146 V C -0.210 175.899 176.094 0.025 0.000 1.029 146 V CA -0.618 61.635 62.300 -0.078 0.000 0.874 146 V CB 1.935 33.879 31.823 0.201 0.000 0.985 146 V HN 0.717 nan 8.190 nan 0.000 0.438 147 T N 6.560 121.111 114.554 -0.006 0.000 2.770 147 T HA 0.629 5.019 4.350 0.066 0.000 0.283 147 T C -0.267 174.432 174.700 -0.001 0.000 0.988 147 T CA -0.272 61.832 62.100 0.005 0.000 0.957 147 T CB 0.684 69.548 68.868 -0.006 0.000 0.930 147 T HN 0.350 nan 8.240 nan 0.000 0.443 148 L N 2.022 123.242 121.223 -0.005 0.000 2.375 148 L HA 0.450 4.829 4.340 0.066 0.000 0.268 148 L C 1.651 178.532 176.870 0.019 0.000 1.058 148 L CA -0.839 53.990 54.840 -0.019 0.000 0.803 148 L CB 1.188 43.206 42.059 -0.068 0.000 1.212 148 L HN 0.707 nan 8.230 nan 0.000 0.451 149 S N -0.904 114.818 115.700 0.038 0.000 2.562 149 S HA 0.052 4.561 4.470 0.066 0.000 0.221 149 S C 0.188 174.783 174.600 -0.008 0.000 0.975 149 S CA -0.084 58.130 58.200 0.023 0.000 0.918 149 S CB -0.389 62.836 63.200 0.042 0.000 0.772 149 S HN 0.786 nan 8.310 nan 0.000 0.531 150 E N -0.651 119.536 120.200 -0.021 0.000 2.401 150 E HA 0.445 4.835 4.350 0.066 0.000 0.280 150 E C -3.548 173.056 176.600 0.007 0.000 1.039 150 E CA -2.596 53.780 56.400 -0.039 0.000 0.814 150 E CB 0.285 29.911 29.700 -0.124 0.000 1.275 150 E HN -0.069 nan 8.360 nan 0.000 0.448 151 P HA 0.074 nan 4.420 nan 0.000 0.264 151 P C -0.678 176.678 177.300 0.092 0.000 1.193 151 P CA -0.222 62.978 63.100 0.166 0.000 0.763 151 P CB 0.574 32.405 31.700 0.218 0.000 0.810 152 V N 6.576 126.581 119.914 0.152 0.000 2.443 152 V HA 0.169 4.328 4.120 0.066 0.000 0.272 152 V C -1.738 174.323 176.094 -0.054 0.000 1.002 152 V CA -1.223 61.006 62.300 -0.118 0.000 0.840 152 V CB 1.682 33.390 31.823 -0.191 0.000 1.042 152 V HN 0.396 nan 8.190 nan 0.000 0.446 153 P HA -0.095 nan 4.420 nan 0.000 0.220 153 P C 0.932 178.322 177.300 0.150 0.000 1.148 153 P CA 1.149 64.037 63.100 -0.353 0.000 0.803 153 P CB -0.003 31.268 31.700 -0.716 0.000 0.782 154 Y N -4.601 115.745 120.300 0.077 0.000 2.493 154 Y HA 0.330 4.919 4.550 0.065 0.000 0.275 154 Y C 1.735 177.462 175.900 -0.288 0.000 1.183 154 Y CA -1.016 57.032 58.100 -0.086 0.000 1.258 154 Y CB -1.416 36.998 38.460 -0.076 0.000 1.108 154 Y HN -0.208 nan 8.280 nan 0.000 0.521 155 F N 2.580 122.215 119.950 -0.525 0.000 2.063 155 F HA -0.312 4.256 4.527 0.069 0.000 0.298 155 F C 2.434 177.860 175.800 -0.623 0.000 1.109 155 F CA 1.837 59.423 58.000 -0.690 0.000 1.212 155 F CB -0.984 37.415 39.000 -1.003 0.000 0.973 155 F HN 0.329 nan 8.300 nan 0.000 0.480 156 Y N 0.066 119.937 120.300 -0.715 0.000 2.298 156 Y HA -0.168 4.419 4.550 0.061 0.000 0.287 156 Y C 2.056 177.759 175.900 -0.329 0.000 1.164 156 Y CA 1.604 59.387 58.100 -0.528 0.000 1.229 156 Y CB -1.393 36.974 38.460 -0.156 0.000 0.977 156 Y HN 0.059 nan 8.280 nan 0.000 0.538 157 K N 0.208 120.047 120.400 -0.934 0.000 2.209 157 K HA -0.095 4.265 4.320 0.066 0.000 0.204 157 K C 1.656 178.087 176.600 -0.280 0.000 1.048 157 K CA 1.386 57.376 56.287 -0.495 0.000 0.940 157 K CB -0.238 32.034 32.500 -0.380 0.000 0.729 157 K HN 0.277 nan 8.250 nan 0.000 0.451 158 L N 0.723 121.637 121.223 -0.514 0.000 2.275 158 L HA -0.099 4.280 4.340 0.066 0.000 0.215 158 L C 1.716 178.525 176.870 -0.101 0.000 1.119 158 L CA 1.304 55.908 54.840 -0.393 0.000 0.790 158 L CB -0.307 41.290 42.059 -0.769 0.000 0.919 158 L HN 0.142 nan 8.230 nan 0.000 0.443 159 L N -0.771 120.303 121.223 -0.248 0.000 2.551 159 L HA -0.057 4.322 4.340 0.066 0.000 0.228 159 L C 1.972 178.849 176.870 0.011 0.000 1.153 159 L CA 0.248 55.001 54.840 -0.144 0.000 0.851 159 L CB -0.633 41.242 42.059 -0.305 0.000 0.959 159 L HN 0.258 nan 8.230 nan 0.000 0.451 160 V N -4.627 115.327 119.914 0.067 0.000 3.573 160 V HA 0.004 4.164 4.120 0.066 0.000 0.270 160 V C 1.231 177.391 176.094 0.110 0.000 1.221 160 V CA 0.062 62.439 62.300 0.129 0.000 1.163 160 V CB -1.058 30.867 31.823 0.170 0.000 0.847 160 V HN 0.334 nan 8.190 nan 0.000 0.468 161 H N 1.417 120.463 119.070 -0.041 0.000 2.562 161 H HA 0.270 4.865 4.556 0.065 0.000 0.352 161 H C -1.882 173.299 175.328 -0.245 0.000 1.125 161 H CA -1.435 54.482 56.048 -0.218 0.000 1.379 161 H CB 2.231 31.710 29.762 -0.471 0.000 1.464 161 H HN 0.082 nan 8.280 nan 0.000 0.563 162 P HA -0.165 nan 4.420 nan 0.000 0.218 162 P C 1.560 178.660 177.300 -0.333 0.000 1.149 162 P CA 1.778 64.605 63.100 -0.456 0.000 0.817 162 P CB 0.145 31.543 31.700 -0.503 0.000 0.785 163 S N -0.672 114.781 115.700 -0.412 0.000 2.419 163 S HA -0.112 4.398 4.470 0.066 0.000 0.233 163 S C 1.580 176.142 174.600 -0.063 0.000 1.016 163 S CA 1.503 59.605 58.200 -0.165 0.000 0.974 163 S CB -1.649 61.402 63.200 -0.249 0.000 0.786 163 S HN 0.146 nan 8.310 nan 0.000 0.492 164 V N -0.870 118.992 119.914 -0.087 0.000 3.342 164 V HA 0.420 4.579 4.120 0.066 0.000 0.322 164 V C 0.417 176.726 176.094 0.359 0.000 1.370 164 V CA -0.621 61.680 62.300 0.000 0.000 1.170 164 V CB -0.817 30.873 31.823 -0.222 0.000 1.101 164 V HN 0.278 nan 8.190 nan 0.000 0.442 165 S N 3.064 118.866 115.700 0.169 0.000 2.617 165 S HA 0.478 4.988 4.470 0.066 0.000 0.269 165 S C -2.250 172.364 174.600 0.024 0.000 1.292 165 S CA -0.526 57.771 58.200 0.162 0.000 1.010 165 S CB 1.058 64.317 63.200 0.098 0.000 0.944 165 S HN 0.482 nan 8.310 nan 0.000 0.536 166 P HA 0.334 nan 4.420 nan 0.000 0.282 166 P C -0.968 176.388 177.300 0.092 0.000 1.249 166 P CA -0.467 62.480 63.100 -0.256 0.000 0.806 166 P CB 0.732 32.072 31.700 -0.600 0.000 0.984 167 V N -1.343 118.610 119.914 0.066 0.000 2.864 167 V HA 0.663 4.823 4.120 0.066 0.000 0.314 167 V C -2.624 173.377 176.094 -0.154 0.000 1.073 167 V CA -3.058 59.190 62.300 -0.087 0.000 0.956 167 V CB 1.715 33.292 31.823 -0.410 0.000 1.023 167 V HN 0.350 nan 8.190 nan 0.000 0.435 168 P HA 0.284 nan 4.420 nan 0.000 0.280 168 P C 0.291 177.230 177.300 -0.602 0.000 1.386 168 P CA -0.318 62.309 63.100 -0.788 0.000 0.899 168 P CB 1.435 32.600 31.700 -0.892 0.000 1.098 169 K N 3.411 123.450 120.400 -0.603 0.000 2.059 169 K HA -0.220 4.140 4.320 0.066 0.000 0.212 169 K C 1.898 178.199 176.600 -0.499 0.000 1.050 169 K CA 2.544 58.351 56.287 -0.801 0.000 0.927 169 K CB -0.321 31.446 32.500 -1.221 0.000 0.714 169 K HN 0.417 nan 8.250 nan 0.000 0.447 170 S N 0.060 115.518 115.700 -0.403 0.000 2.382 170 S HA -0.135 4.375 4.470 0.066 0.000 0.228 170 S C 2.164 176.651 174.600 -0.188 0.000 1.027 170 S CA 1.061 59.100 58.200 -0.267 0.000 0.991 170 S CB -0.417 62.655 63.200 -0.214 0.000 0.823 170 S HN 0.438 nan 8.310 nan 0.000 0.469 171 A N 1.439 124.175 122.820 -0.141 0.000 1.897 171 A HA 0.157 4.516 4.320 0.066 0.000 0.215 171 A C 2.432 180.067 177.584 0.085 0.000 1.181 171 A CA 1.367 53.487 52.037 0.138 0.000 0.620 171 A CB -1.081 18.044 19.000 0.208 0.000 0.821 171 A HN 0.443 nan 8.150 nan 0.000 0.443 172 V N 0.243 119.966 119.914 -0.318 0.000 2.287 172 V HA -0.297 3.863 4.120 0.066 0.000 0.248 172 V C 2.442 178.475 176.094 -0.100 0.000 1.053 172 V CA 2.409 64.475 62.300 -0.390 0.000 1.027 172 V CB -0.841 30.661 31.823 -0.536 0.000 0.646 172 V HN 0.631 nan 8.190 nan 0.000 0.447 173 E N -0.326 119.788 120.200 -0.143 0.000 2.072 173 E HA -0.248 4.142 4.350 0.066 0.000 0.191 173 E C 2.305 178.818 176.600 -0.145 0.000 0.985 173 E CA 1.315 57.648 56.400 -0.113 0.000 0.801 173 E CB -0.095 29.519 29.700 -0.142 0.000 0.750 173 E HN 0.531 nan 8.360 nan 0.000 0.452 174 K N -0.021 120.225 120.400 -0.256 0.000 2.116 174 K HA -0.062 4.297 4.320 0.066 0.000 0.203 174 K C 1.174 177.437 176.600 -0.562 0.000 1.052 174 K CA 0.992 56.972 56.287 -0.512 0.000 0.952 174 K CB 0.137 32.131 32.500 -0.843 0.000 0.729 174 K HN 0.046 nan 8.250 nan 0.000 0.446 175 F N 0.122 120.116 119.950 0.073 0.000 2.678 175 F HA 0.295 4.862 4.527 0.066 0.000 0.305 175 F C 1.346 177.236 175.800 0.149 0.000 1.090 175 F CA 0.013 58.083 58.000 0.117 0.000 1.272 175 F CB 0.640 39.737 39.000 0.162 0.000 1.060 175 F HN 0.253 nan 8.300 nan 0.000 0.576 176 G N 2.140 111.102 108.800 0.270 0.000 2.596 176 G HA2 -0.471 3.529 3.960 0.066 0.000 0.295 176 G HA3 -0.471 3.529 3.960 0.066 0.000 0.295 176 G C 0.592 175.715 174.900 0.372 0.000 1.240 176 G CA 0.790 46.037 45.100 0.245 0.000 0.985 176 G HN 0.459 nan 8.290 nan 0.000 0.555 177 D N 0.252 120.807 120.400 0.259 0.000 2.350 177 D HA 0.060 4.740 4.640 0.066 0.000 0.216 177 D C 1.800 178.190 176.300 0.150 0.000 0.968 177 D CA 1.441 55.574 54.000 0.221 0.000 0.894 177 D CB -0.027 40.849 40.800 0.126 0.000 0.909 177 D HN 0.548 nan 8.370 nan 0.000 0.520 178 K N 0.467 120.975 120.400 0.180 0.000 2.458 178 K HA 0.038 4.398 4.320 0.066 0.000 0.194 178 K C 1.116 177.801 176.600 0.142 0.000 1.024 178 K CA -0.090 56.262 56.287 0.108 0.000 1.108 178 K CB -0.110 32.454 32.500 0.107 0.000 0.846 178 K HN 0.482 nan 8.250 nan 0.000 0.518 179 W N 1.003 122.390 121.300 0.146 0.000 2.421 179 W HA -0.138 4.561 4.660 0.065 0.000 0.270 179 W C 0.892 177.460 176.519 0.081 0.000 1.233 179 W CA 1.476 58.901 57.345 0.133 0.000 1.226 179 W CB -0.937 28.638 29.460 0.191 0.000 1.121 179 W HN -0.030 nan 8.180 nan 0.000 0.579 180 T N -0.929 113.334 114.554 -0.485 0.000 3.129 180 T HA 0.007 4.397 4.350 0.066 0.000 0.251 180 T C 0.900 175.571 174.700 -0.048 0.000 1.117 180 T CA 0.086 61.910 62.100 -0.460 0.000 1.034 180 T CB -0.162 68.364 68.868 -0.570 0.000 0.968 180 T HN -0.061 nan 8.240 nan 0.000 0.526 181 Q N 1.816 121.602 119.800 -0.024 0.000 2.421 181 Q HA 0.184 4.563 4.340 0.066 0.000 0.255 181 Q C -1.629 174.374 176.000 0.005 0.000 1.013 181 Q CA -2.013 53.801 55.803 0.018 0.000 0.895 181 Q CB 0.956 29.657 28.738 -0.062 0.000 1.271 181 Q HN 0.131 nan 8.270 nan 0.000 0.460 182 P HA -0.191 nan 4.420 nan 0.000 0.216 182 P C 0.644 177.935 177.300 -0.014 0.000 1.150 182 P CA 2.094 65.213 63.100 0.030 0.000 0.843 182 P CB 0.188 31.919 31.700 0.052 0.000 0.787 183 A N -1.134 121.652 122.820 -0.056 0.000 2.066 183 A HA -0.108 4.252 4.320 0.066 0.000 0.218 183 A C 1.892 179.376 177.584 -0.167 0.000 1.157 183 A CA 1.383 53.368 52.037 -0.086 0.000 0.670 183 A CB -0.747 18.199 19.000 -0.090 0.000 0.804 183 A HN 0.152 nan 8.150 nan 0.000 0.453 184 N N -1.011 117.533 118.700 -0.259 0.000 2.407 184 N HA 0.174 4.953 4.740 0.066 0.000 0.182 184 N C 0.515 175.974 175.510 -0.085 0.000 1.079 184 N CA -0.149 52.636 53.050 -0.441 0.000 0.882 184 N CB 0.136 38.091 38.487 -0.888 0.000 1.106 184 N HN 0.516 nan 8.380 nan 0.000 0.461 185 I N 1.756 122.343 120.570 0.028 0.000 2.754 185 I HA -0.012 4.197 4.170 0.066 0.000 0.285 185 I C -0.656 175.586 176.117 0.209 0.000 1.166 185 I CA 0.038 61.461 61.300 0.205 0.000 1.417 185 I CB 0.688 38.755 38.000 0.111 0.000 1.382 185 I HN -0.298 nan 8.210 nan 0.000 0.588 186 V N 5.699 125.810 119.914 0.327 0.000 2.577 186 V HA 0.458 4.618 4.120 0.066 0.000 0.303 186 V C -0.160 176.200 176.094 0.443 0.000 1.042 186 V CA -0.472 61.986 62.300 0.263 0.000 0.872 186 V CB 1.863 33.733 31.823 0.078 0.000 0.998 186 V HN 0.879 nan 8.190 nan 0.000 0.423 187 T N 0.050 114.822 114.554 0.364 0.000 2.916 187 T HA 0.479 4.869 4.350 0.066 0.000 0.292 187 T C 0.169 175.028 174.700 0.265 0.000 1.055 187 T CA -0.679 61.536 62.100 0.192 0.000 1.009 187 T CB 2.089 70.781 68.868 -0.292 0.000 1.118 187 T HN 0.647 nan 8.240 nan 0.000 0.497 188 N N -0.311 118.400 118.700 0.017 0.000 2.170 188 N HA 0.209 4.989 4.740 0.066 0.000 0.222 188 N C 0.645 176.135 175.510 -0.034 0.000 1.218 188 N CA -0.347 52.631 53.050 -0.120 0.000 0.889 188 N CB 0.356 38.452 38.487 -0.652 0.000 1.083 188 N HN 0.806 nan 8.380 nan 0.000 0.520 189 G N 0.145 108.853 108.800 -0.153 0.000 2.508 189 G HA2 0.489 4.489 3.960 0.066 0.000 0.278 189 G HA3 0.489 4.489 3.960 0.066 0.000 0.278 189 G C 0.811 175.317 174.900 -0.657 0.000 1.389 189 G CA 0.043 44.961 45.100 -0.304 0.000 1.050 189 G HN 0.219 nan 8.290 nan 0.000 0.522 190 A N -1.798 120.440 122.820 -0.969 0.000 2.119 190 A HA 0.318 4.678 4.320 0.066 0.000 0.217 190 A C 0.319 177.376 177.584 -0.879 0.000 1.153 190 A CA 0.809 52.177 52.037 -1.115 0.000 0.692 190 A CB -0.309 18.136 19.000 -0.926 0.000 0.799 190 A HN 0.449 nan 8.150 nan 0.000 0.458 191 Y N -1.161 118.996 120.300 -0.238 0.000 2.602 191 Y HA 0.577 5.164 4.550 0.062 0.000 0.342 191 Y C 0.178 175.997 175.900 -0.135 0.000 1.029 191 Y CA -0.949 57.069 58.100 -0.137 0.000 1.080 191 Y CB 1.630 40.028 38.460 -0.102 0.000 1.284 191 Y HN -0.075 nan 8.280 nan 0.000 0.485 192 K N 1.102 121.540 120.400 0.064 0.000 2.395 192 K HA 0.511 4.871 4.320 0.066 0.000 0.247 192 K C -1.782 174.830 176.600 0.020 0.000 0.973 192 K CA -1.231 55.062 56.287 0.010 0.000 0.828 192 K CB 2.604 35.118 32.500 0.023 0.000 1.272 192 K HN 0.399 nan 8.250 nan 0.000 0.439 193 L N 2.486 123.700 121.223 -0.014 0.000 2.313 193 L HA 0.157 4.536 4.340 0.066 0.000 0.282 193 L C 0.978 177.862 176.870 0.024 0.000 1.092 193 L CA 0.690 55.522 54.840 -0.014 0.000 0.831 193 L CB 0.592 42.630 42.059 -0.035 0.000 1.159 193 L HN 0.685 nan 8.230 nan 0.000 0.442 194 K N 3.348 123.769 120.400 0.035 0.000 2.172 194 K HA 0.219 4.579 4.320 0.066 0.000 0.203 194 K C -0.184 176.449 176.600 0.056 0.000 1.040 194 K CA 0.320 56.633 56.287 0.043 0.000 0.974 194 K CB 0.429 32.955 32.500 0.043 0.000 0.857 194 K HN 0.730 nan 8.250 nan 0.000 0.464 195 N N -0.644 118.099 118.700 0.072 0.000 2.264 195 N HA 0.101 4.881 4.740 0.066 0.000 0.288 195 N C -2.058 173.567 175.510 0.192 0.000 1.094 195 N CA -0.486 52.627 53.050 0.106 0.000 0.817 195 N CB 1.631 40.165 38.487 0.079 0.000 1.604 195 N HN 0.084 nan 8.380 nan 0.000 0.473 196 W N 2.848 124.134 121.300 -0.024 0.000 2.664 196 W HA 0.433 5.134 4.660 0.069 0.000 0.314 196 W C -1.902 174.602 176.519 -0.025 0.000 1.010 196 W CA -0.682 56.646 57.345 -0.028 0.000 1.306 196 W CB 0.436 29.869 29.460 -0.045 0.000 1.254 196 W HN 0.107 nan 8.180 nan 0.000 0.404 197 V N 6.934 127.004 119.914 0.259 0.000 2.293 197 V HA 0.211 4.370 4.120 0.066 0.000 0.275 197 V C 0.367 176.520 176.094 0.097 0.000 1.021 197 V CA -1.004 61.341 62.300 0.076 0.000 0.815 197 V CB 0.894 32.754 31.823 0.060 0.000 1.025 197 V HN 0.187 nan 8.190 nan 0.000 0.448 198 V N 5.511 125.387 119.914 -0.064 0.000 2.617 198 V HA 0.014 4.174 4.120 0.066 0.000 0.304 198 V C 1.254 177.375 176.094 0.044 0.000 1.040 198 V CA 0.861 63.156 62.300 -0.007 0.000 1.149 198 V CB -0.539 31.190 31.823 -0.156 0.000 0.914 198 V HN 1.151 nan 8.190 nan 0.000 0.487 199 N N 2.103 120.856 118.700 0.089 0.000 2.782 199 N HA -0.206 4.573 4.740 0.066 0.000 0.251 199 N C 0.889 176.427 175.510 0.047 0.000 1.101 199 N CA 1.164 54.248 53.050 0.057 0.000 0.764 199 N CB -0.467 38.038 38.487 0.032 0.000 1.122 199 N HN 0.901 nan 8.380 nan 0.000 0.561 200 E N -0.401 119.840 120.200 0.068 0.000 3.203 200 E HA 0.218 4.608 4.350 0.066 0.000 0.200 200 E C -0.022 176.615 176.600 0.061 0.000 1.089 200 E CA 0.144 56.575 56.400 0.051 0.000 1.430 200 E CB 0.787 30.513 29.700 0.043 0.000 1.328 200 E HN 0.363 nan 8.360 nan 0.000 0.580 201 R N -0.106 120.453 120.500 0.098 0.000 2.709 201 R HA 0.440 4.819 4.340 0.066 0.000 0.270 201 R C -1.709 174.670 176.300 0.131 0.000 1.038 201 R CA -0.664 55.489 56.100 0.089 0.000 0.872 201 R CB 0.482 30.814 30.300 0.054 0.000 1.259 201 R HN -0.050 nan 8.270 nan 0.000 0.473 202 I N 2.083 122.699 120.570 0.077 0.000 2.406 202 I HA 0.401 4.610 4.170 0.066 0.000 0.290 202 I C -0.775 175.368 176.117 0.043 0.000 0.999 202 I CA -1.236 60.076 61.300 0.020 0.000 1.124 202 I CB 2.288 40.194 38.000 -0.156 0.000 1.289 202 I HN 0.323 nan 8.210 nan 0.000 0.441 203 V N 7.401 127.337 119.914 0.036 0.000 2.448 203 V HA 0.484 4.644 4.120 0.066 0.000 0.295 203 V C -0.103 176.004 176.094 0.022 0.000 1.025 203 V CA -0.557 61.758 62.300 0.024 0.000 0.859 203 V CB 1.777 33.617 31.823 0.027 0.000 0.988 203 V HN 0.469 nan 8.190 nan 0.000 0.431 204 L N 4.961 126.193 121.223 0.015 0.000 2.334 204 L HA 0.743 5.123 4.340 0.066 0.000 0.276 204 L C -0.014 176.924 176.870 0.114 0.000 1.014 204 L CA -0.551 54.315 54.840 0.043 0.000 0.815 204 L CB 1.981 44.040 42.059 0.001 0.000 1.268 204 L HN 0.800 nan 8.230 nan 0.000 0.428 205 E N 1.731 122.041 120.200 0.184 0.000 2.312 205 E HA 0.446 4.836 4.350 0.066 0.000 0.267 205 E C -0.822 175.915 176.600 0.228 0.000 0.894 205 E CA -1.171 55.351 56.400 0.204 0.000 0.773 205 E CB 2.115 31.873 29.700 0.097 0.000 1.241 205 E HN 0.431 nan 8.360 nan 0.000 0.432 206 R N 1.358 121.935 120.500 0.128 0.000 2.566 206 R HA -0.087 4.293 4.340 0.066 0.000 0.273 206 R C -0.496 175.720 176.300 -0.141 0.000 0.981 206 R CA 0.181 56.175 56.100 -0.178 0.000 1.091 206 R CB 0.229 30.478 30.300 -0.084 0.000 0.924 206 R HN 0.541 nan 8.270 nan 0.000 0.411 207 N N 5.754 124.316 118.700 -0.229 0.000 2.462 207 N HA 0.196 4.976 4.740 0.066 0.000 0.242 207 N C -2.075 173.410 175.510 -0.041 0.000 1.010 207 N CA -2.426 50.569 53.050 -0.092 0.000 0.939 207 N CB 1.528 39.957 38.487 -0.097 0.000 1.127 207 N HN 0.367 nan 8.380 nan 0.000 0.509 208 P HA -0.064 nan 4.420 nan 0.000 0.226 208 P C 0.569 177.891 177.300 0.037 0.000 1.153 208 P CA 0.925 64.030 63.100 0.008 0.000 0.777 208 P CB 0.488 32.196 31.700 0.013 0.000 0.794 209 Q N -1.702 118.138 119.800 0.066 0.000 2.432 209 Q HA -0.025 4.355 4.340 0.066 0.000 0.205 209 Q C 0.485 176.558 176.000 0.123 0.000 0.945 209 Q CA -0.046 55.813 55.803 0.095 0.000 0.924 209 Q CB -0.682 28.129 28.738 0.122 0.000 1.016 209 Q HN 0.327 nan 8.270 nan 0.000 0.503 210 Y N 2.554 122.829 120.300 -0.043 0.000 2.810 210 Y HA -0.198 4.389 4.550 0.061 0.000 0.332 210 Y C 1.348 177.208 175.900 -0.067 0.000 1.243 210 Y CA -0.475 57.572 58.100 -0.089 0.000 1.537 210 Y CB 0.275 38.597 38.460 -0.229 0.000 1.265 210 Y HN 0.244 nan 8.280 nan 0.000 0.572 211 W N 4.107 125.106 121.300 -0.501 0.000 2.342 211 W HA -0.204 4.494 4.660 0.062 0.000 0.297 211 W C 0.292 176.502 176.519 -0.514 0.000 1.213 211 W CA 1.383 58.466 57.345 -0.438 0.000 1.251 211 W CB -0.395 28.855 29.460 -0.350 0.000 1.136 211 W HN 0.522 nan 8.180 nan 0.000 0.526 212 D N 0.772 120.064 120.400 -1.847 0.000 2.427 212 D HA -0.020 4.660 4.640 0.066 0.000 0.224 212 D C 1.459 177.429 176.300 -0.551 0.000 1.157 212 D CA 0.050 53.289 54.000 -1.268 0.000 0.828 212 D CB -0.662 39.029 40.800 -1.848 0.000 0.974 212 D HN 0.037 nan 8.370 nan 0.000 0.498 213 N N 0.415 118.918 118.700 -0.329 0.000 2.137 213 N HA -0.202 4.578 4.740 0.066 0.000 0.190 213 N C 1.666 177.128 175.510 -0.080 0.000 1.017 213 N CA 1.632 54.632 53.050 -0.083 0.000 0.859 213 N CB -0.014 38.449 38.487 -0.040 0.000 1.002 213 N HN 0.148 nan 8.380 nan 0.000 0.428 214 A N 0.147 122.913 122.820 -0.090 0.000 2.024 214 A HA -0.120 4.240 4.320 0.066 0.000 0.220 214 A C 1.944 179.498 177.584 -0.050 0.000 1.164 214 A CA 1.315 53.320 52.037 -0.055 0.000 0.643 214 A CB -0.309 18.666 19.000 -0.042 0.000 0.806 214 A HN 0.398 nan 8.150 nan 0.000 0.451 215 K N -0.489 119.867 120.400 -0.072 0.000 2.426 215 K HA 0.049 4.409 4.320 0.066 0.000 0.193 215 K C -0.134 176.459 176.600 -0.010 0.000 1.028 215 K CA 0.206 56.467 56.287 -0.043 0.000 1.047 215 K CB 0.076 32.541 32.500 -0.057 0.000 0.821 215 K HN 0.301 nan 8.250 nan 0.000 0.513 216 T N 1.056 115.601 114.554 -0.015 0.000 2.870 216 T HA 0.057 4.446 4.350 0.066 0.000 0.300 216 T C 1.263 175.986 174.700 0.038 0.000 0.989 216 T CA -0.157 61.949 62.100 0.010 0.000 1.139 216 T CB 1.643 70.469 68.868 -0.069 0.000 0.920 216 T HN -0.181 nan 8.240 nan 0.000 0.537 217 V N 3.142 123.115 119.914 0.098 0.000 2.911 217 V HA 0.169 4.329 4.120 0.066 0.000 0.237 217 V C 1.016 177.191 176.094 0.134 0.000 1.156 217 V CA 0.173 62.539 62.300 0.109 0.000 1.180 217 V CB 0.136 32.048 31.823 0.147 0.000 0.932 217 V HN 0.720 nan 8.190 nan 0.000 0.483 218 I N 2.748 123.432 120.570 0.189 0.000 2.598 218 I HA 0.073 4.282 4.170 0.066 0.000 0.284 218 I C 0.999 177.256 176.117 0.233 0.000 1.140 218 I CA 0.560 61.974 61.300 0.191 0.000 1.420 218 I CB 0.480 38.586 38.000 0.176 0.000 1.387 218 I HN 0.328 nan 8.210 nan 0.000 0.553 219 N N 4.455 123.249 118.700 0.156 0.000 2.415 219 N HA -0.026 4.754 4.740 0.066 0.000 0.176 219 N C 0.452 176.072 175.510 0.184 0.000 1.042 219 N CA 0.519 53.657 53.050 0.146 0.000 0.902 219 N CB 0.591 39.124 38.487 0.077 0.000 0.986 219 N HN 0.646 nan 8.380 nan 0.000 0.447 220 Q N 0.541 120.419 119.800 0.130 0.000 2.295 220 Q HA 0.407 4.787 4.340 0.066 0.000 0.268 220 Q C -2.096 173.876 176.000 -0.045 0.000 1.010 220 Q CA -0.434 55.408 55.803 0.065 0.000 0.856 220 Q CB 2.442 31.200 28.738 0.034 0.000 1.349 220 Q HN -0.102 nan 8.270 nan 0.000 0.412 221 V N 2.792 122.619 119.914 -0.145 0.000 2.735 221 V HA 0.730 4.890 4.120 0.066 0.000 0.310 221 V C -1.262 174.698 176.094 -0.223 0.000 1.061 221 V CA -0.033 62.108 62.300 -0.264 0.000 0.913 221 V CB 2.391 33.937 31.823 -0.461 0.000 1.005 221 V HN 0.884 nan 8.190 nan 0.000 0.428 222 T N 6.430 120.835 114.554 -0.249 0.000 2.823 222 T HA 0.612 5.001 4.350 0.066 0.000 0.279 222 T C -1.370 173.154 174.700 -0.292 0.000 0.998 222 T CA 0.068 62.069 62.100 -0.164 0.000 0.994 222 T CB 0.993 69.805 68.868 -0.095 0.000 0.960 222 T HN 0.576 nan 8.240 nan 0.000 0.448 223 Y N 2.297 122.532 120.300 -0.108 0.000 2.335 223 Y HA 0.559 5.147 4.550 0.063 0.000 0.338 223 Y C 0.112 175.960 175.900 -0.087 0.000 0.977 223 Y CA -0.963 57.068 58.100 -0.114 0.000 1.114 223 Y CB 1.008 39.376 38.460 -0.153 0.000 1.182 223 Y HN 0.384 nan 8.280 nan 0.000 0.463 224 L N 5.846 127.094 121.223 0.041 0.000 2.344 224 L HA 0.519 4.898 4.340 0.066 0.000 0.272 224 L C -2.044 174.817 176.870 -0.016 0.000 1.035 224 L CA -1.978 52.869 54.840 0.013 0.000 0.807 224 L CB 1.873 43.928 42.059 -0.008 0.000 1.237 224 L HN 0.428 nan 8.230 nan 0.000 0.442 225 P HA 0.277 nan 4.420 nan 0.000 0.253 225 P C -0.405 176.849 177.300 -0.076 0.000 1.863 225 P CA -0.068 62.995 63.100 -0.063 0.000 1.145 225 P CB -0.013 31.684 31.700 -0.005 0.000 1.666 226 I N 1.166 121.687 120.570 -0.081 0.000 2.322 226 I HA 0.060 4.270 4.170 0.066 0.000 0.292 226 I C 1.601 177.662 176.117 -0.093 0.000 1.060 226 I CA 0.018 61.282 61.300 -0.060 0.000 1.309 226 I CB 1.027 39.009 38.000 -0.030 0.000 1.415 226 I HN 0.024 nan 8.210 nan 0.000 0.492 227 S N 2.265 117.920 115.700 -0.076 0.000 2.528 227 S HA -0.011 4.499 4.470 0.066 0.000 0.219 227 S C 0.975 175.553 174.600 -0.038 0.000 0.985 227 S CA -0.341 57.808 58.200 -0.084 0.000 0.914 227 S CB 0.107 63.271 63.200 -0.059 0.000 0.776 227 S HN 0.591 nan 8.310 nan 0.000 0.526 228 S N 1.376 117.064 115.700 -0.019 0.000 2.422 228 S HA 0.254 4.764 4.470 0.066 0.000 0.283 228 S C 0.651 175.247 174.600 -0.006 0.000 1.163 228 S CA -0.557 57.639 58.200 -0.006 0.000 1.054 228 S CB 0.653 63.855 63.200 0.003 0.000 0.967 228 S HN 0.333 nan 8.310 nan 0.000 0.499 229 E N 3.630 123.824 120.200 -0.010 0.000 2.153 229 E HA -0.090 4.299 4.350 0.066 0.000 0.194 229 E C 1.900 178.499 176.600 -0.002 0.000 0.988 229 E CA 1.079 57.477 56.400 -0.003 0.000 0.811 229 E CB -0.246 29.443 29.700 -0.018 0.000 0.746 229 E HN 0.573 nan 8.360 nan 0.000 0.466 230 V N 0.778 120.691 119.914 -0.001 0.000 2.295 230 V HA -0.287 3.872 4.120 0.066 0.000 0.246 230 V C 2.125 178.226 176.094 0.012 0.000 1.049 230 V CA 2.258 64.561 62.300 0.006 0.000 1.024 230 V CB -0.833 30.993 31.823 0.005 0.000 0.648 230 V HN 0.351 nan 8.190 nan 0.000 0.447 231 T N -0.551 114.010 114.554 0.011 0.000 2.746 231 T HA -0.219 4.171 4.350 0.066 0.000 0.267 231 T C 1.775 176.489 174.700 0.023 0.000 1.039 231 T CA 1.707 63.816 62.100 0.016 0.000 1.142 231 T CB -0.397 68.477 68.868 0.010 0.000 0.866 231 T HN 0.539 nan 8.240 nan 0.000 0.444 232 D N 1.063 121.474 120.400 0.019 0.000 2.092 232 D HA -0.099 4.581 4.640 0.066 0.000 0.193 232 D C 2.178 178.505 176.300 0.045 0.000 0.994 232 D CA 0.894 54.911 54.000 0.028 0.000 0.828 232 D CB -0.526 40.287 40.800 0.022 0.000 0.963 232 D HN 0.184 nan 8.370 nan 0.000 0.450 233 V N 1.155 121.080 119.914 0.018 0.000 2.332 233 V HA -0.263 3.896 4.120 0.066 0.000 0.248 233 V C 2.272 178.417 176.094 0.086 0.000 1.055 233 V CA 1.868 64.180 62.300 0.021 0.000 1.038 233 V CB -0.665 31.151 31.823 -0.011 0.000 0.651 233 V HN 0.247 nan 8.190 nan 0.000 0.450 234 N N 0.336 119.071 118.700 0.058 0.000 2.120 234 N HA -0.148 4.632 4.740 0.066 0.000 0.188 234 N C 1.958 177.510 175.510 0.070 0.000 1.024 234 N CA 1.425 54.509 53.050 0.057 0.000 0.852 234 N CB -0.367 38.141 38.487 0.035 0.000 1.003 234 N HN 0.482 nan 8.380 nan 0.000 0.424 235 R N -0.717 119.825 120.500 0.070 0.000 2.193 235 R HA -0.042 4.338 4.340 0.066 0.000 0.213 235 R C 1.843 178.193 176.300 0.083 0.000 1.055 235 R CA 0.388 56.523 56.100 0.059 0.000 0.995 235 R CB -0.202 30.123 30.300 0.042 0.000 0.893 235 R HN 0.368 nan 8.270 nan 0.000 0.459 236 Y N 1.333 121.622 120.300 -0.018 0.000 2.184 236 Y HA -0.115 4.473 4.550 0.063 0.000 0.290 236 Y C 1.991 177.880 175.900 -0.018 0.000 1.129 236 Y CA 1.364 59.445 58.100 -0.031 0.000 1.144 236 Y CB 0.140 38.564 38.460 -0.060 0.000 0.995 236 Y HN -0.195 nan 8.280 nan 0.000 0.513 237 R N -0.031 120.584 120.500 0.192 0.000 2.189 237 R HA -0.082 4.297 4.340 0.066 0.000 0.218 237 R C 2.328 178.637 176.300 0.014 0.000 1.074 237 R CA 1.132 57.285 56.100 0.088 0.000 0.991 237 R CB -0.354 30.021 30.300 0.125 0.000 0.883 237 R HN 0.468 nan 8.270 nan 0.000 0.457 238 S N -0.992 114.718 115.700 0.016 0.000 2.522 238 S HA 0.074 4.584 4.470 0.066 0.000 0.227 238 S C 1.470 176.068 174.600 -0.003 0.000 0.986 238 S CA 0.636 58.841 58.200 0.009 0.000 0.929 238 S CB 0.579 63.787 63.200 0.015 0.000 0.769 238 S HN 0.477 nan 8.310 nan 0.000 0.529 239 G N 1.094 109.874 108.800 -0.032 0.000 2.195 239 G HA2 -0.288 3.712 3.960 0.066 0.000 0.224 239 G HA3 -0.288 3.712 3.960 0.066 0.000 0.224 239 G C 0.632 175.531 174.900 -0.002 0.000 0.990 239 G CA 0.430 45.526 45.100 -0.007 0.000 0.639 239 G HN 0.547 nan 8.290 nan 0.000 0.514 240 E N -0.104 120.092 120.200 -0.008 0.000 2.107 240 E HA 0.138 4.527 4.350 0.066 0.000 0.191 240 E C 0.896 177.495 176.600 -0.002 0.000 0.982 240 E CA 0.375 56.775 56.400 0.000 0.000 0.809 240 E CB -0.007 29.695 29.700 0.004 0.000 0.756 240 E HN 0.603 nan 8.360 nan 0.000 0.459 241 I N 1.687 122.251 120.570 -0.009 0.000 2.377 241 I HA 0.073 4.282 4.170 0.066 0.000 0.293 241 I C 0.299 176.392 176.117 -0.040 0.000 0.987 241 I CA -0.594 60.712 61.300 0.010 0.000 1.185 241 I CB 1.634 39.684 38.000 0.083 0.000 1.341 241 I HN -0.023 nan 8.210 nan 0.000 0.455 242 D N 5.418 125.804 120.400 -0.023 0.000 2.277 242 D HA 0.159 4.838 4.640 0.066 0.000 0.209 242 D C 0.214 176.506 176.300 -0.013 0.000 0.970 242 D CA 1.327 55.281 54.000 -0.076 0.000 0.874 242 D CB 0.548 41.336 40.800 -0.021 0.000 0.982 242 D HN 0.405 nan 8.370 nan 0.000 0.504 243 M N 0.728 120.332 119.600 0.008 0.000 2.183 243 M HA 0.152 4.672 4.480 0.066 0.000 0.277 243 M C -0.298 175.969 176.300 -0.055 0.000 0.995 243 M CA -0.459 54.801 55.300 -0.067 0.000 0.969 243 M CB 2.678 35.145 32.600 -0.221 0.000 1.659 243 M HN -0.220 nan 8.290 nan 0.000 0.462 244 T N -0.576 113.912 114.554 -0.111 0.000 2.766 244 T HA 0.302 4.691 4.350 0.066 0.000 0.295 244 T C -0.158 174.506 174.700 -0.059 0.000 1.024 244 T CA -0.312 61.739 62.100 -0.083 0.000 1.018 244 T CB 0.945 69.708 68.868 -0.174 0.000 1.002 244 T HN 0.472 nan 8.240 nan 0.000 0.532 245 Y N 1.883 122.110 120.300 -0.121 0.000 2.296 245 Y HA 0.248 4.839 4.550 0.068 0.000 0.343 245 Y C 0.851 176.682 175.900 -0.115 0.000 1.292 245 Y CA -0.885 57.149 58.100 -0.111 0.000 1.490 245 Y CB 0.437 38.839 38.460 -0.096 0.000 1.359 245 Y HN 0.831 nan 8.280 nan 0.000 0.599 246 N N 2.785 120.947 118.700 -0.896 0.000 3.114 246 N HA 0.197 4.977 4.740 0.066 0.000 0.289 246 N C -1.898 173.348 175.510 -0.440 0.000 1.519 246 N CA -0.401 52.317 53.050 -0.552 0.000 1.026 246 N CB -0.318 37.876 38.487 -0.489 0.000 1.306 246 N HN 0.434 nan 8.380 nan 0.000 0.495 247 N N 0.865 119.432 118.700 -0.222 0.000 2.519 247 N HA 0.335 5.115 4.740 0.066 0.000 0.291 247 N C -1.190 174.288 175.510 -0.054 0.000 1.107 247 N CA -0.271 52.766 53.050 -0.022 0.000 0.904 247 N CB 1.415 39.974 38.487 0.121 0.000 1.500 247 N HN 0.237 nan 8.380 nan 0.000 0.510 248 M N 2.741 122.275 119.600 -0.110 0.000 2.404 248 M HA 0.514 5.033 4.480 0.066 0.000 0.338 248 M C -2.283 173.948 176.300 -0.116 0.000 1.150 248 M CA -2.055 53.171 55.300 -0.123 0.000 1.016 248 M CB 1.672 34.128 32.600 -0.240 0.000 1.672 248 M HN 0.261 nan 8.290 nan 0.000 0.448 249 P HA 0.229 nan 4.420 nan 0.000 0.275 249 P C 0.488 177.778 177.300 -0.017 0.000 1.228 249 P CA -0.119 62.961 63.100 -0.033 0.000 0.786 249 P CB 1.131 32.830 31.700 -0.002 0.000 0.927 250 I N 1.107 121.653 120.570 -0.039 0.000 2.439 250 I HA -0.210 4.000 4.170 0.066 0.000 0.251 250 I C 2.125 178.249 176.117 0.011 0.000 1.139 250 I CA 1.321 62.604 61.300 -0.027 0.000 1.438 250 I CB -0.346 37.621 38.000 -0.056 0.000 1.085 250 I HN 0.320 nan 8.210 nan 0.000 0.427 251 E N 1.026 121.229 120.200 0.005 0.000 2.033 251 E HA -0.203 4.186 4.350 0.066 0.000 0.199 251 E C 2.035 178.648 176.600 0.021 0.000 1.011 251 E CA 1.586 57.992 56.400 0.009 0.000 0.815 251 E CB -0.161 29.542 29.700 0.004 0.000 0.755 251 E HN 0.424 nan 8.360 nan 0.000 0.451 252 L N -1.197 120.048 121.223 0.036 0.000 2.515 252 L HA 0.156 4.535 4.340 0.066 0.000 0.223 252 L C 1.861 178.755 176.870 0.040 0.000 1.079 252 L CA -0.237 54.619 54.840 0.027 0.000 0.857 252 L CB -0.120 41.950 42.059 0.017 0.000 1.050 252 L HN 0.066 nan 8.230 nan 0.000 0.476 253 F N 1.840 121.751 119.950 -0.065 0.000 2.063 253 F HA -0.333 4.232 4.527 0.063 0.000 0.298 253 F C 2.686 178.447 175.800 -0.066 0.000 1.109 253 F CA 1.875 59.831 58.000 -0.074 0.000 1.212 253 F CB -0.091 38.859 39.000 -0.083 0.000 0.973 253 F HN 0.088 nan 8.300 nan 0.000 0.480 254 Q N 0.821 120.591 119.800 -0.051 0.000 2.045 254 Q HA -0.246 4.134 4.340 0.066 0.000 0.206 254 Q C 2.150 178.022 176.000 -0.212 0.000 0.991 254 Q CA 2.268 57.979 55.803 -0.154 0.000 0.851 254 Q CB -0.842 27.875 28.738 -0.035 0.000 0.911 254 Q HN 0.481 nan 8.270 nan 0.000 0.418 255 K N 0.617 120.939 120.400 -0.131 0.000 2.059 255 K HA -0.154 4.205 4.320 0.066 0.000 0.212 255 K C 2.336 178.841 176.600 -0.159 0.000 1.050 255 K CA 1.419 57.638 56.287 -0.114 0.000 0.927 255 K CB -0.467 31.993 32.500 -0.066 0.000 0.714 255 K HN 0.121 nan 8.250 nan 0.000 0.447 256 L N 0.947 122.043 121.223 -0.213 0.000 2.042 256 L HA -0.223 4.156 4.340 0.066 0.000 0.210 256 L C 2.551 179.253 176.870 -0.280 0.000 1.076 256 L CA 1.214 55.914 54.840 -0.233 0.000 0.749 256 L CB -0.468 41.436 42.059 -0.258 0.000 0.893 256 L HN 0.125 nan 8.230 nan 0.000 0.432 257 K N 0.404 120.549 120.400 -0.424 0.000 2.147 257 K HA -0.154 4.205 4.320 0.066 0.000 0.205 257 K C 2.057 178.538 176.600 -0.198 0.000 1.049 257 K CA 1.333 57.415 56.287 -0.342 0.000 0.936 257 K CB 0.078 32.328 32.500 -0.417 0.000 0.722 257 K HN 0.085 nan 8.250 nan 0.000 0.446 258 K N 0.336 120.633 120.400 -0.171 0.000 2.137 258 K HA -0.014 4.345 4.320 0.066 0.000 0.202 258 K C 1.904 178.451 176.600 -0.088 0.000 1.052 258 K CA 1.212 57.433 56.287 -0.110 0.000 0.961 258 K CB 0.053 32.498 32.500 -0.092 0.000 0.741 258 K HN 0.368 nan 8.250 nan 0.000 0.452 259 E N 0.790 120.935 120.200 -0.093 0.000 2.086 259 E HA 0.008 4.398 4.350 0.066 0.000 0.190 259 E C 0.977 177.544 176.600 -0.056 0.000 0.975 259 E CA 0.727 57.089 56.400 -0.063 0.000 0.813 259 E CB 0.164 29.832 29.700 -0.053 0.000 0.768 259 E HN 0.320 nan 8.360 nan 0.000 0.457 260 I N -2.207 118.320 120.570 -0.072 0.000 2.925 260 I HA 0.270 4.479 4.170 0.066 0.000 0.296 260 I C -2.362 173.709 176.117 -0.077 0.000 1.413 260 I CA -1.908 59.358 61.300 -0.057 0.000 0.932 260 I CB 1.225 39.208 38.000 -0.029 0.000 1.873 260 I HN -0.228 nan 8.210 nan 0.000 0.619 261 P HA -0.176 nan 4.420 nan 0.000 0.215 261 P C 0.910 178.170 177.300 -0.066 0.000 1.157 261 P CA 1.576 64.628 63.100 -0.081 0.000 0.874 261 P CB 0.057 31.718 31.700 -0.065 0.000 0.790 262 N N -0.228 118.441 118.700 -0.052 0.000 2.512 262 N HA -0.087 4.692 4.740 0.066 0.000 0.183 262 N C 1.461 176.937 175.510 -0.057 0.000 1.073 262 N CA 0.765 53.787 53.050 -0.046 0.000 0.911 262 N CB -0.247 38.218 38.487 -0.036 0.000 0.964 262 N HN 0.438 nan 8.380 nan 0.000 0.447 263 E N -0.210 119.951 120.200 -0.066 0.000 2.452 263 E HA 0.090 4.479 4.350 0.066 0.000 0.197 263 E C -0.198 176.340 176.600 -0.103 0.000 1.022 263 E CA 0.012 56.367 56.400 -0.075 0.000 0.890 263 E CB 0.782 30.465 29.700 -0.028 0.000 0.918 263 E HN -0.024 nan 8.360 nan 0.000 0.496 264 V N 3.673 123.529 119.914 -0.096 0.000 2.353 264 V HA 0.147 4.307 4.120 0.066 0.000 0.264 264 V C 0.107 176.179 176.094 -0.037 0.000 1.049 264 V CA -0.374 61.873 62.300 -0.087 0.000 0.896 264 V CB 0.383 32.141 31.823 -0.110 0.000 1.025 264 V HN 0.106 nan 8.190 nan 0.000 0.475 265 R N 3.930 124.418 120.500 -0.021 0.000 2.254 265 R HA 0.602 4.982 4.340 0.066 0.000 0.318 265 R C -0.903 175.412 176.300 0.025 0.000 1.031 265 R CA -0.502 55.612 56.100 0.023 0.000 0.905 265 R CB 1.719 32.086 30.300 0.113 0.000 1.050 265 R HN 0.438 nan 8.270 nan 0.000 0.456 266 V N 4.262 124.187 119.914 0.017 0.000 2.419 266 V HA 0.306 4.465 4.120 0.066 0.000 0.287 266 V C -0.469 175.620 176.094 -0.009 0.000 1.017 266 V CA -0.672 61.638 62.300 0.017 0.000 0.844 266 V CB 1.778 33.630 31.823 0.049 0.000 1.011 266 V HN 0.676 nan 8.190 nan 0.000 0.429 267 D N 4.702 125.086 120.400 -0.026 0.000 2.523 267 D HA 0.489 5.169 4.640 0.066 0.000 0.236 267 D C -2.830 173.467 176.300 -0.004 0.000 1.094 267 D CA -1.457 52.520 54.000 -0.039 0.000 0.942 267 D CB 2.972 43.720 40.800 -0.086 0.000 1.447 267 D HN 0.189 nan 8.370 nan 0.000 0.479 268 P HA 0.072 nan 4.420 nan 0.000 0.268 268 P C -0.970 176.462 177.300 0.220 0.000 1.208 268 P CA 0.203 63.334 63.100 0.050 0.000 0.777 268 P CB 0.279 31.968 31.700 -0.019 0.000 0.875 269 Y N 1.648 122.053 120.300 0.174 0.000 2.358 269 Y HA 0.292 4.883 4.550 0.069 0.000 0.324 269 Y C -0.941 175.122 175.900 0.272 0.000 1.123 269 Y CA -1.134 57.068 58.100 0.171 0.000 1.067 269 Y CB 1.116 39.651 38.460 0.125 0.000 1.230 269 Y HN 0.149 nan 8.280 nan 0.000 0.429 270 L N 6.267 127.603 121.223 0.187 0.000 2.391 270 L HA 0.302 4.682 4.340 0.066 0.000 0.249 270 L C -0.779 176.039 176.870 -0.087 0.000 1.308 270 L CA 0.239 55.067 54.840 -0.020 0.000 1.209 270 L CB -0.741 41.295 42.059 -0.038 0.000 1.401 270 L HN 0.552 nan 8.230 nan 0.000 0.416 271 c N -0.456 118.090 118.600 -0.089 0.000 2.898 271 c HA 0.660 5.270 4.570 0.066 0.000 0.304 271 c C 0.303 174.612 174.090 0.366 0.000 1.237 271 c CA -0.702 55.591 56.329 -0.060 0.000 1.529 271 c CB 2.186 44.211 42.510 -0.808 0.000 2.021 271 c HN 0.448 nan 8.230 nan 0.000 0.474 272 T N 1.202 116.059 114.554 0.504 0.000 2.812 272 T HA 0.413 4.802 4.350 0.066 0.000 0.282 272 T C -1.240 173.809 174.700 0.583 0.000 0.990 272 T CA -0.154 62.256 62.100 0.518 0.000 0.960 272 T CB 0.773 69.863 68.868 0.371 0.000 0.948 272 T HN 0.588 nan 8.240 nan 0.000 0.438 273 Y N 4.683 125.008 120.300 0.042 0.000 2.313 273 Y HA 0.572 5.160 4.550 0.065 0.000 0.332 273 Y C -0.570 175.226 175.900 -0.174 0.000 1.071 273 Y CA -0.454 57.462 58.100 -0.307 0.000 1.169 273 Y CB 0.502 38.098 38.460 -1.439 0.000 1.192 273 Y HN 0.766 nan 8.280 nan 0.000 0.487 274 Y N 2.157 122.293 120.300 -0.273 0.000 2.689 274 Y HA 0.524 5.113 4.550 0.065 0.000 0.333 274 Y C -2.319 173.330 175.900 -0.418 0.000 1.208 274 Y CA -2.032 55.950 58.100 -0.197 0.000 1.055 274 Y CB 0.948 39.395 38.460 -0.021 0.000 1.304 274 Y HN 0.423 nan 8.280 nan 0.000 0.455 275 Y N 1.469 121.877 120.300 0.180 0.000 2.353 275 Y HA 0.269 4.859 4.550 0.067 0.000 0.340 275 Y C 0.173 176.148 175.900 0.125 0.000 0.972 275 Y CA -0.614 57.541 58.100 0.092 0.000 1.157 275 Y CB 1.394 40.009 38.460 0.259 0.000 1.157 275 Y HN 0.626 nan 8.280 nan 0.000 0.495 276 E N 4.695 124.928 120.200 0.054 0.000 2.257 276 E HA 0.272 4.661 4.350 0.066 0.000 0.278 276 E C -0.929 175.775 176.600 0.173 0.000 1.049 276 E CA -0.230 56.248 56.400 0.131 0.000 0.876 276 E CB 0.534 30.222 29.700 -0.019 0.000 1.035 276 E HN 0.603 nan 8.360 nan 0.000 0.419 277 I N 4.138 124.748 120.570 0.067 0.000 2.385 277 I HA 0.093 4.302 4.170 0.066 0.000 0.294 277 I C 0.374 176.384 176.117 -0.179 0.000 0.988 277 I CA -0.823 60.400 61.300 -0.130 0.000 1.265 277 I CB 1.169 39.082 38.000 -0.145 0.000 1.388 277 I HN 0.504 nan 8.210 nan 0.000 0.480 278 N N 4.797 123.186 118.700 -0.519 0.000 2.421 278 N HA 0.041 4.821 4.740 0.066 0.000 0.260 278 N C 0.396 175.760 175.510 -0.245 0.000 1.173 278 N CA 0.241 52.922 53.050 -0.616 0.000 0.960 278 N CB 0.108 37.848 38.487 -1.245 0.000 1.273 278 N HN 0.437 nan 8.380 nan 0.000 0.497 279 N N 1.655 120.312 118.700 -0.072 0.000 2.520 279 N HA -0.148 4.632 4.740 0.066 0.000 0.185 279 N C 1.052 176.560 175.510 -0.003 0.000 1.068 279 N CA 0.759 53.814 53.050 0.008 0.000 0.911 279 N CB 0.110 38.651 38.487 0.091 0.000 0.961 279 N HN 0.742 nan 8.380 nan 0.000 0.446 280 Q N -0.702 119.071 119.800 -0.044 0.000 2.319 280 Q HA 0.135 4.515 4.340 0.066 0.000 0.202 280 Q C -0.030 175.923 176.000 -0.077 0.000 0.896 280 Q CA 0.191 55.960 55.803 -0.056 0.000 0.942 280 Q CB 0.415 29.117 28.738 -0.060 0.000 1.083 280 Q HN -0.020 nan 8.270 nan 0.000 0.510 281 K N 1.261 121.618 120.400 -0.071 0.000 2.358 281 K HA 0.551 4.910 4.320 0.066 0.000 0.260 281 K C -0.971 175.633 176.600 0.007 0.000 0.956 281 K CA -0.509 55.752 56.287 -0.043 0.000 0.834 281 K CB 1.663 34.122 32.500 -0.069 0.000 1.102 281 K HN 0.224 nan 8.250 nan 0.000 0.431 282 A N 4.615 127.410 122.820 -0.042 0.000 2.520 282 A HA 0.178 4.537 4.320 0.066 0.000 0.235 282 A C -1.645 175.844 177.584 -0.157 0.000 1.065 282 A CA -0.748 51.231 52.037 -0.097 0.000 0.764 282 A CB -0.112 18.841 19.000 -0.079 0.000 1.002 282 A HN 0.658 nan 8.150 nan 0.000 0.502 283 P HA 0.129 nan 4.420 nan 0.000 0.257 283 P C 0.219 177.201 177.300 -0.530 0.000 1.325 283 P CA 0.386 63.254 63.100 -0.387 0.000 0.850 283 P CB -0.059 31.461 31.700 -0.300 0.000 1.324 284 F N 1.555 121.419 119.950 -0.143 0.000 2.802 284 F HA 0.003 4.570 4.527 0.067 0.000 0.300 284 F C 1.810 177.532 175.800 -0.130 0.000 1.168 284 F CA 0.249 58.137 58.000 -0.187 0.000 1.433 284 F CB -0.695 38.148 39.000 -0.260 0.000 1.115 284 F HN 0.035 nan 8.300 nan 0.000 0.582 285 N N -0.773 117.919 118.700 -0.014 0.000 2.383 285 N HA -0.077 4.703 4.740 0.066 0.000 0.192 285 N C -0.344 175.150 175.510 -0.027 0.000 1.141 285 N CA 0.267 53.309 53.050 -0.014 0.000 0.851 285 N CB -0.370 38.101 38.487 -0.027 0.000 0.976 285 N HN 0.105 nan 8.380 nan 0.000 0.465 286 D N 0.590 120.961 120.400 -0.048 0.000 2.317 286 D HA 0.047 4.727 4.640 0.066 0.000 0.234 286 D C 0.908 177.191 176.300 -0.028 0.000 1.112 286 D CA -0.532 53.444 54.000 -0.040 0.000 0.840 286 D CB 2.168 42.939 40.800 -0.049 0.000 1.078 286 D HN -0.166 nan 8.370 nan 0.000 0.486 287 V N 5.881 125.787 119.914 -0.012 0.000 2.469 287 V HA -0.253 3.907 4.120 0.066 0.000 0.251 287 V C 2.143 178.224 176.094 -0.021 0.000 1.064 287 V CA 1.856 64.151 62.300 -0.008 0.000 1.066 287 V CB -0.198 31.629 31.823 0.007 0.000 0.667 287 V HN 0.542 nan 8.190 nan 0.000 0.461 288 R N -0.708 119.782 120.500 -0.016 0.000 2.081 288 R HA -0.118 4.261 4.340 0.066 0.000 0.235 288 R C 2.152 178.429 176.300 -0.038 0.000 1.131 288 R CA 1.665 57.757 56.100 -0.014 0.000 0.960 288 R CB -0.690 29.612 30.300 0.005 0.000 0.856 288 R HN 0.491 nan 8.270 nan 0.000 0.436 289 V N 1.276 121.157 119.914 -0.055 0.000 2.295 289 V HA -0.233 3.926 4.120 0.066 0.000 0.246 289 V C 2.354 178.368 176.094 -0.134 0.000 1.049 289 V CA 1.732 63.958 62.300 -0.123 0.000 1.024 289 V CB -0.517 31.192 31.823 -0.191 0.000 0.648 289 V HN 0.302 nan 8.190 nan 0.000 0.447 290 R N -0.155 120.295 120.500 -0.083 0.000 2.081 290 R HA -0.140 4.239 4.340 0.066 0.000 0.235 290 R C 2.398 178.637 176.300 -0.101 0.000 1.131 290 R CA 1.939 57.995 56.100 -0.074 0.000 0.960 290 R CB -0.878 29.399 30.300 -0.039 0.000 0.856 290 R HN 0.489 nan 8.270 nan 0.000 0.436 291 T N 1.134 115.630 114.554 -0.097 0.000 2.746 291 T HA -0.139 4.251 4.350 0.066 0.000 0.267 291 T C 1.985 176.612 174.700 -0.122 0.000 1.039 291 T CA 1.419 63.442 62.100 -0.128 0.000 1.142 291 T CB -0.246 68.568 68.868 -0.090 0.000 0.866 291 T HN 0.392 nan 8.240 nan 0.000 0.444 292 A N 1.295 124.058 122.820 -0.095 0.000 1.908 292 A HA -0.021 4.339 4.320 0.066 0.000 0.218 292 A C 2.304 179.828 177.584 -0.101 0.000 1.181 292 A CA 1.283 53.271 52.037 -0.082 0.000 0.627 292 A CB -0.848 18.092 19.000 -0.100 0.000 0.818 292 A HN 0.485 nan 8.150 nan 0.000 0.445 293 L N -0.770 120.340 121.223 -0.190 0.000 2.056 293 L HA -0.173 4.207 4.340 0.066 0.000 0.207 293 L C 2.637 179.606 176.870 0.165 0.000 1.078 293 L CA 1.834 56.528 54.840 -0.243 0.000 0.749 293 L CB -0.444 41.319 42.059 -0.493 0.000 0.901 293 L HN 0.481 nan 8.230 nan 0.000 0.433 294 K N 0.785 121.200 120.400 0.026 0.000 2.057 294 K HA -0.170 4.189 4.320 0.066 0.000 0.207 294 K C 2.100 178.644 176.600 -0.093 0.000 1.049 294 K CA 1.348 57.619 56.287 -0.026 0.000 0.931 294 K CB -0.020 32.333 32.500 -0.246 0.000 0.714 294 K HN 0.254 nan 8.250 nan 0.000 0.440 295 L N 0.085 121.226 121.223 -0.136 0.000 2.131 295 L HA -0.019 4.361 4.340 0.066 0.000 0.206 295 L C 2.502 179.460 176.870 0.146 0.000 1.087 295 L CA 0.872 55.679 54.840 -0.055 0.000 0.767 295 L CB -0.367 41.678 42.059 -0.024 0.000 0.917 295 L HN 0.238 nan 8.230 nan 0.000 0.441 296 A N -0.107 122.839 122.820 0.209 0.000 2.119 296 A HA -0.008 4.352 4.320 0.066 0.000 0.217 296 A C 1.200 178.989 177.584 0.341 0.000 1.153 296 A CA 0.096 52.304 52.037 0.285 0.000 0.692 296 A CB -0.366 18.815 19.000 0.302 0.000 0.799 296 A HN 0.302 nan 8.150 nan 0.000 0.458 297 L N 0.702 122.157 121.223 0.386 0.000 2.410 297 L HA 0.145 4.525 4.340 0.066 0.000 0.273 297 L C -0.545 176.398 176.870 0.122 0.000 1.152 297 L CA -0.364 54.551 54.840 0.126 0.000 0.855 297 L CB 0.542 42.665 42.059 0.107 0.000 1.129 297 L HN 0.118 nan 8.230 nan 0.000 0.463 298 D N 4.695 125.125 120.400 0.050 0.000 2.456 298 D HA 0.141 4.821 4.640 0.066 0.000 0.219 298 D C 1.055 177.391 176.300 0.060 0.000 1.126 298 D CA -0.162 53.879 54.000 0.070 0.000 0.890 298 D CB 0.818 41.643 40.800 0.042 0.000 1.025 298 D HN 0.556 nan 8.370 nan 0.000 0.511 299 R N 2.217 122.784 120.500 0.112 0.000 2.120 299 R HA -0.134 4.246 4.340 0.066 0.000 0.234 299 R C 1.399 177.735 176.300 0.059 0.000 1.123 299 R CA 1.329 57.499 56.100 0.117 0.000 0.975 299 R CB 0.044 30.472 30.300 0.214 0.000 0.866 299 R HN 0.402 nan 8.270 nan 0.000 0.446 300 D N 0.556 120.975 120.400 0.033 0.000 2.144 300 D HA -0.117 4.563 4.640 0.066 0.000 0.199 300 D C 1.685 177.981 176.300 -0.007 0.000 0.984 300 D CA 1.026 55.029 54.000 0.005 0.000 0.834 300 D CB 0.097 40.892 40.800 -0.008 0.000 0.955 300 D HN 0.137 nan 8.370 nan 0.000 0.465 301 I N -0.074 120.493 120.570 -0.005 0.000 2.142 301 I HA -0.219 3.991 4.170 0.066 0.000 0.240 301 I C 2.227 178.322 176.117 -0.037 0.000 1.078 301 I CA 0.759 62.046 61.300 -0.021 0.000 1.343 301 I CB -0.196 37.792 38.000 -0.020 0.000 1.046 301 I HN 0.114 nan 8.210 nan 0.000 0.405 302 I N -0.092 120.458 120.570 -0.034 0.000 2.113 302 I HA -0.273 3.936 4.170 0.066 0.000 0.238 302 I C 2.467 178.529 176.117 -0.092 0.000 1.070 302 I CA 1.421 62.689 61.300 -0.053 0.000 1.332 302 I CB -0.378 37.610 38.000 -0.019 0.000 1.044 302 I HN -0.020 nan 8.210 nan 0.000 0.402 303 V N 0.873 120.742 119.914 -0.074 0.000 2.295 303 V HA -0.268 3.891 4.120 0.066 0.000 0.246 303 V C 1.677 177.684 176.094 -0.144 0.000 1.049 303 V CA 2.493 64.701 62.300 -0.154 0.000 1.024 303 V CB -0.927 30.854 31.823 -0.070 0.000 0.648 303 V HN 0.481 nan 8.190 nan 0.000 0.447 304 N N -1.047 117.606 118.700 -0.079 0.000 2.388 304 N HA 0.034 4.813 4.740 0.066 0.000 0.176 304 N C 1.670 177.147 175.510 -0.055 0.000 1.062 304 N CA 0.286 53.299 53.050 -0.062 0.000 0.895 304 N CB 0.205 38.672 38.487 -0.034 0.000 1.018 304 N HN 0.422 nan 8.380 nan 0.000 0.456 305 K N 0.143 120.511 120.400 -0.053 0.000 2.240 305 K HA 0.112 4.471 4.320 0.066 0.000 0.202 305 K C 1.929 178.497 176.600 -0.053 0.000 1.053 305 K CA 0.442 56.703 56.287 -0.044 0.000 0.973 305 K CB 0.107 32.587 32.500 -0.033 0.000 0.924 305 K HN -0.007 nan 8.250 nan 0.000 0.477 306 V N 0.625 120.499 119.914 -0.067 0.000 2.725 306 V HA -0.001 4.159 4.120 0.066 0.000 0.247 306 V C 1.913 177.950 176.094 -0.096 0.000 1.058 306 V CA 1.553 63.810 62.300 -0.071 0.000 1.080 306 V CB 0.260 32.042 31.823 -0.069 0.000 0.713 306 V HN 0.135 nan 8.190 nan 0.000 0.465 307 K N 0.974 121.291 120.400 -0.139 0.000 2.216 307 K HA 0.169 4.528 4.320 0.066 0.000 0.207 307 K C 1.219 177.704 176.600 -0.192 0.000 1.041 307 K CA 1.056 57.221 56.287 -0.204 0.000 0.966 307 K CB -0.333 31.973 32.500 -0.323 0.000 0.955 307 K HN 0.481 nan 8.250 nan 0.000 0.468 308 N N 1.184 119.772 118.700 -0.186 0.000 2.705 308 N HA -0.207 4.573 4.740 0.066 0.000 0.255 308 N C -0.815 174.634 175.510 -0.102 0.000 1.008 308 N CA 0.711 53.689 53.050 -0.120 0.000 0.742 308 N CB -0.608 37.852 38.487 -0.045 0.000 0.906 308 N HN 0.580 nan 8.380 nan 0.000 0.541 309 Q N -0.695 118.955 119.800 -0.250 0.000 2.159 309 Q HA 0.255 4.635 4.340 0.066 0.000 0.217 309 Q C 1.296 177.184 176.000 -0.186 0.000 0.818 309 Q CA 0.448 56.053 55.803 -0.331 0.000 1.008 309 Q CB 0.810 29.058 28.738 -0.816 0.000 1.148 309 Q HN 0.591 nan 8.270 nan 0.000 0.491 310 G N 0.976 109.700 108.800 -0.128 0.000 2.184 310 G HA2 -0.158 3.842 3.960 0.066 0.000 0.206 310 G HA3 -0.158 3.842 3.960 0.066 0.000 0.206 310 G C -0.298 174.547 174.900 -0.092 0.000 0.995 310 G CA -0.416 44.641 45.100 -0.071 0.000 0.651 310 G HN 0.287 nan 8.290 nan 0.000 0.511 311 D N 0.461 120.737 120.400 -0.207 0.000 2.362 311 D HA 0.463 5.142 4.640 0.066 0.000 0.242 311 D C 0.193 176.461 176.300 -0.052 0.000 1.132 311 D CA 0.139 54.023 54.000 -0.193 0.000 0.907 311 D CB 1.554 41.924 40.800 -0.717 0.000 1.195 311 D HN 0.033 nan 8.370 nan 0.000 0.429 312 L N 2.399 123.691 121.223 0.115 0.000 2.317 312 L HA 0.337 4.717 4.340 0.066 0.000 0.281 312 L C -2.233 174.747 176.870 0.184 0.000 1.024 312 L CA -2.337 52.617 54.840 0.189 0.000 0.810 312 L CB 0.969 43.216 42.059 0.313 0.000 1.240 312 L HN 0.057 nan 8.230 nan 0.000 0.427 313 P HA 0.176 nan 4.420 nan 0.000 0.265 313 P C -1.004 176.383 177.300 0.145 0.000 1.193 313 P CA -0.171 63.082 63.100 0.255 0.000 0.765 313 P CB 0.553 32.473 31.700 0.366 0.000 0.823 314 A N 3.188 125.913 122.820 -0.160 0.000 2.325 314 A HA 0.580 4.939 4.320 0.066 0.000 0.333 314 A C -0.375 177.026 177.584 -0.305 0.000 1.155 314 A CA -0.428 51.193 52.037 -0.693 0.000 0.814 314 A CB 0.394 18.745 19.000 -1.082 0.000 1.206 314 A HN 0.685 nan 8.150 nan 0.000 0.482 315 Y N 0.032 120.101 120.300 -0.385 0.000 2.610 315 Y HA 0.465 5.055 4.550 0.066 0.000 0.254 315 Y C 0.345 176.209 175.900 -0.060 0.000 1.110 315 Y CA -0.107 57.761 58.100 -0.387 0.000 1.238 315 Y CB -0.445 37.273 38.460 -1.236 0.000 1.322 315 Y HN 0.666 nan 8.280 nan 0.000 0.547 316 S N -1.760 113.803 115.700 -0.230 0.000 2.720 316 S HA 0.371 4.881 4.470 0.066 0.000 0.287 316 S C -0.332 174.265 174.600 -0.006 0.000 1.168 316 S CA -0.480 57.680 58.200 -0.066 0.000 0.832 316 S CB 1.453 64.548 63.200 -0.175 0.000 1.166 316 S HN 0.116 nan 8.310 nan 0.000 0.493 317 Y N 1.686 121.878 120.300 -0.180 0.000 2.222 317 Y HA 0.329 4.920 4.550 0.069 0.000 0.290 317 Y C 1.137 176.829 175.900 -0.347 0.000 1.123 317 Y CA 1.070 59.037 58.100 -0.222 0.000 1.120 317 Y CB -0.794 37.534 38.460 -0.220 0.000 1.060 317 Y HN 0.702 nan 8.280 nan 0.000 0.508 318 T N 5.266 119.496 114.554 -0.540 0.000 2.867 318 T HA 0.143 4.532 4.350 0.066 0.000 0.297 318 T C -2.586 171.551 174.700 -0.939 0.000 0.989 318 T CA -0.823 60.614 62.100 -1.104 0.000 1.159 318 T CB 0.732 69.233 68.868 -0.612 0.000 0.928 318 T HN 0.088 nan 8.240 nan 0.000 0.538 319 P HA 0.128 nan 4.420 nan 0.000 0.268 319 P C -1.808 174.860 177.300 -1.053 0.000 1.204 319 P CA -1.388 60.968 63.100 -1.239 0.000 0.768 319 P CB 0.248 31.110 31.700 -1.397 0.000 0.842 320 P HA -0.112 nan 4.420 nan 0.000 0.226 320 P C 0.453 177.597 177.300 -0.259 0.000 1.153 320 P CA 1.356 64.193 63.100 -0.438 0.000 0.777 320 P CB -0.406 31.145 31.700 -0.249 0.000 0.794 321 Y N -3.009 117.106 120.300 -0.308 0.000 2.485 321 Y HA 0.402 4.989 4.550 0.063 0.000 0.260 321 Y C 0.426 176.231 175.900 -0.158 0.000 1.173 321 Y CA -0.832 57.158 58.100 -0.183 0.000 1.252 321 Y CB -1.431 36.941 38.460 -0.146 0.000 1.123 321 Y HN -0.340 nan 8.280 nan 0.000 0.524 322 T N 2.350 116.635 114.554 -0.449 0.000 2.940 322 T HA -0.099 4.290 4.350 0.066 0.000 0.309 322 T C -0.127 174.477 174.700 -0.159 0.000 1.056 322 T CA -0.102 61.802 62.100 -0.326 0.000 1.137 322 T CB 0.301 68.912 68.868 -0.430 0.000 0.976 322 T HN 0.296 nan 8.240 nan 0.000 0.547 323 D N 1.247 121.594 120.400 -0.088 0.000 2.412 323 D HA 0.214 4.894 4.640 0.066 0.000 0.257 323 D C 1.261 177.537 176.300 -0.040 0.000 1.217 323 D CA 1.348 55.331 54.000 -0.029 0.000 0.897 323 D CB -0.148 40.657 40.800 0.009 0.000 1.132 323 D HN 0.856 nan 8.370 nan 0.000 0.493 324 G N 2.480 111.278 108.800 -0.004 0.000 2.201 324 G HA2 -0.095 3.904 3.960 0.066 0.000 0.212 324 G HA3 -0.095 3.904 3.960 0.066 0.000 0.212 324 G C 0.283 175.215 174.900 0.055 0.000 0.994 324 G CA 0.138 45.266 45.100 0.046 0.000 0.644 324 G HN 0.897 nan 8.290 nan 0.000 0.508 325 A N 0.452 123.253 122.820 -0.033 0.000 2.289 325 A HA 0.736 5.095 4.320 0.066 0.000 0.298 325 A C 0.399 177.971 177.584 -0.020 0.000 1.208 325 A CA -0.011 51.994 52.037 -0.053 0.000 0.845 325 A CB 0.484 19.376 19.000 -0.181 0.000 1.125 325 A HN 0.285 nan 8.150 nan 0.000 0.517 326 K N 3.759 124.165 120.400 0.010 0.000 2.954 326 K HA 0.312 4.672 4.320 0.066 0.000 0.171 326 K C -1.045 175.567 176.600 0.019 0.000 1.079 326 K CA -0.054 56.241 56.287 0.013 0.000 0.908 326 K CB 0.676 33.186 32.500 0.018 0.000 1.142 326 K HN 0.693 nan 8.250 nan 0.000 0.613 327 L N 0.978 122.214 121.223 0.021 0.000 2.418 327 L HA 0.351 4.730 4.340 0.066 0.000 0.265 327 L C 0.354 177.245 176.870 0.034 0.000 1.143 327 L CA -1.046 53.823 54.840 0.048 0.000 0.809 327 L CB 1.019 43.131 42.059 0.087 0.000 1.124 327 L HN -0.038 nan 8.230 nan 0.000 0.456 328 V N 1.623 121.546 119.914 0.015 0.000 2.364 328 V HA 0.092 4.252 4.120 0.066 0.000 0.272 328 V C 0.376 176.375 176.094 -0.157 0.000 1.036 328 V CA -0.495 61.773 62.300 -0.053 0.000 0.880 328 V CB 1.082 32.887 31.823 -0.030 0.000 0.991 328 V HN 0.737 nan 8.190 nan 0.000 0.460 329 E N 8.343 128.339 120.200 -0.341 0.000 2.324 329 E HA 0.192 4.582 4.350 0.066 0.000 0.271 329 E C -2.174 174.120 176.600 -0.511 0.000 1.028 329 E CA -1.441 54.494 56.400 -0.775 0.000 0.890 329 E CB 0.988 30.196 29.700 -0.820 0.000 1.004 329 E HN 0.455 nan 8.360 nan 0.000 0.431 330 P HA 0.016 nan 4.420 nan 0.000 0.272 330 P C 0.180 177.173 177.300 -0.512 0.000 1.230 330 P CA -0.177 62.659 63.100 -0.440 0.000 0.788 330 P CB 0.874 32.295 31.700 -0.465 0.000 0.949 331 E N 1.326 121.332 120.200 -0.325 0.000 2.118 331 E HA -0.148 4.241 4.350 0.066 0.000 0.195 331 E C 1.906 178.028 176.600 -0.796 0.000 0.992 331 E CA 1.399 57.607 56.400 -0.319 0.000 0.804 331 E CB -0.580 29.104 29.700 -0.027 0.000 0.741 331 E HN 0.702 nan 8.360 nan 0.000 0.458 332 W N -0.139 120.580 121.300 -0.968 0.000 2.350 332 W HA -0.172 4.528 4.660 0.066 0.000 0.289 332 W C 1.753 177.902 176.519 -0.617 0.000 1.215 332 W CA 0.390 56.870 57.345 -1.441 0.000 1.236 332 W CB -1.237 27.701 29.460 -0.870 0.000 1.130 332 W HN -0.033 nan 8.180 nan 0.000 0.541 333 F N 2.865 122.165 119.950 -1.083 0.000 2.325 333 F HA -0.002 4.565 4.527 0.066 0.000 0.299 333 F C 2.222 177.831 175.800 -0.319 0.000 1.090 333 F CA 1.638 59.190 58.000 -0.747 0.000 1.392 333 F CB -0.182 38.171 39.000 -1.080 0.000 1.053 333 F HN -0.238 nan 8.300 nan 0.000 0.521 334 K N -0.766 119.476 120.400 -0.263 0.000 2.305 334 K HA -0.080 4.280 4.320 0.066 0.000 0.199 334 K C 0.312 176.953 176.600 0.069 0.000 1.047 334 K CA 0.124 56.341 56.287 -0.117 0.000 0.976 334 K CB -0.237 32.240 32.500 -0.038 0.000 0.765 334 K HN 0.070 nan 8.250 nan 0.000 0.474 335 W N 2.512 123.809 121.300 -0.006 0.000 2.042 335 W HA 0.018 4.718 4.660 0.067 0.000 0.358 335 W C 1.213 177.734 176.519 0.004 0.000 1.325 335 W CA -1.228 56.135 57.345 0.029 0.000 1.311 335 W CB -0.452 29.067 29.460 0.097 0.000 1.210 335 W HN -0.041 nan 8.180 nan 0.000 0.620 336 S N 0.159 116.027 115.700 0.280 0.000 2.603 336 S HA 0.054 4.564 4.470 0.066 0.000 0.268 336 S C 0.772 175.487 174.600 0.191 0.000 1.317 336 S CA -0.341 57.950 58.200 0.152 0.000 1.012 336 S CB 1.472 64.722 63.200 0.084 0.000 0.926 336 S HN 0.408 nan 8.310 nan 0.000 0.539 337 Q N 0.641 120.520 119.800 0.132 0.000 2.167 337 Q HA -0.133 4.247 4.340 0.066 0.000 0.202 337 Q C 2.222 178.306 176.000 0.140 0.000 0.970 337 Q CA 1.917 57.809 55.803 0.148 0.000 0.855 337 Q CB -0.480 28.319 28.738 0.102 0.000 0.911 337 Q HN 0.906 nan 8.270 nan 0.000 0.438 338 Q N 0.073 119.931 119.800 0.097 0.000 2.096 338 Q HA -0.253 4.127 4.340 0.066 0.000 0.204 338 Q C 1.920 177.963 176.000 0.071 0.000 0.982 338 Q CA 1.873 57.718 55.803 0.070 0.000 0.850 338 Q CB -0.135 28.626 28.738 0.039 0.000 0.901 338 Q HN 0.374 nan 8.270 nan 0.000 0.422 339 K N 0.008 120.452 120.400 0.072 0.000 2.057 339 K HA -0.135 4.225 4.320 0.066 0.000 0.206 339 K C 2.160 178.853 176.600 0.154 0.000 1.050 339 K CA 0.994 57.285 56.287 0.006 0.000 0.935 339 K CB 0.027 32.432 32.500 -0.158 0.000 0.715 339 K HN 0.145 nan 8.250 nan 0.000 0.439 340 R N 0.416 121.136 120.500 0.367 0.000 2.081 340 R HA -0.086 4.293 4.340 0.066 0.000 0.235 340 R C 2.075 178.522 176.300 0.245 0.000 1.131 340 R CA 1.619 57.979 56.100 0.434 0.000 0.960 340 R CB -0.383 30.152 30.300 0.393 0.000 0.856 340 R HN 0.296 nan 8.270 nan 0.000 0.436 341 N N 0.706 119.511 118.700 0.175 0.000 2.120 341 N HA -0.157 4.622 4.740 0.066 0.000 0.188 341 N C 1.613 177.181 175.510 0.097 0.000 1.024 341 N CA 1.096 54.223 53.050 0.128 0.000 0.852 341 N CB -0.213 38.337 38.487 0.104 0.000 1.003 341 N HN 0.245 nan 8.380 nan 0.000 0.424 342 E N 0.833 121.078 120.200 0.077 0.000 2.051 342 E HA -0.196 4.193 4.350 0.066 0.000 0.192 342 E C 1.801 178.433 176.600 0.054 0.000 0.991 342 E CA 0.857 57.284 56.400 0.045 0.000 0.799 342 E CB -0.116 29.589 29.700 0.008 0.000 0.748 342 E HN 0.401 nan 8.360 nan 0.000 0.449 343 E N 0.923 121.173 120.200 0.083 0.000 2.110 343 E HA -0.128 4.261 4.350 0.066 0.000 0.193 343 E C 1.853 178.511 176.600 0.097 0.000 0.988 343 E CA 1.379 57.844 56.400 0.109 0.000 0.804 343 E CB -0.207 29.627 29.700 0.225 0.000 0.745 343 E HN 0.199 nan 8.360 nan 0.000 0.458 344 A N 0.844 123.724 122.820 0.100 0.000 1.877 344 A HA -0.210 4.149 4.320 0.066 0.000 0.216 344 A C 2.099 179.706 177.584 0.040 0.000 1.186 344 A CA 1.860 53.933 52.037 0.060 0.000 0.620 344 A CB -0.475 18.567 19.000 0.070 0.000 0.822 344 A HN 0.210 nan 8.150 nan 0.000 0.443 345 K N -0.361 120.068 120.400 0.049 0.000 2.063 345 K HA -0.185 4.175 4.320 0.066 0.000 0.208 345 K C 2.237 178.861 176.600 0.040 0.000 1.048 345 K CA 1.664 57.975 56.287 0.041 0.000 0.928 345 K CB -0.169 32.356 32.500 0.043 0.000 0.713 345 K HN 0.539 nan 8.250 nan 0.000 0.442 346 K N 1.418 121.842 120.400 0.040 0.000 2.032 346 K HA -0.158 4.202 4.320 0.066 0.000 0.209 346 K C 2.082 178.705 176.600 0.038 0.000 1.048 346 K CA 1.238 57.546 56.287 0.036 0.000 0.927 346 K CB -0.114 32.407 32.500 0.034 0.000 0.712 346 K HN 0.047 nan 8.250 nan 0.000 0.441 347 L N 0.949 122.196 121.223 0.040 0.000 2.042 347 L HA -0.207 4.172 4.340 0.066 0.000 0.210 347 L C 2.539 179.437 176.870 0.046 0.000 1.076 347 L CA 1.039 55.900 54.840 0.035 0.000 0.749 347 L CB -0.381 41.692 42.059 0.024 0.000 0.893 347 L HN 0.293 nan 8.230 nan 0.000 0.432 348 L N -0.615 120.637 121.223 0.049 0.000 2.093 348 L HA -0.182 4.198 4.340 0.066 0.000 0.208 348 L C 2.833 179.797 176.870 0.158 0.000 1.085 348 L CA 1.148 56.049 54.840 0.102 0.000 0.755 348 L CB -0.593 41.486 42.059 0.035 0.000 0.904 348 L HN 0.274 nan 8.230 nan 0.000 0.435 349 A N -0.074 122.800 122.820 0.090 0.000 1.902 349 A HA -0.225 4.134 4.320 0.066 0.000 0.217 349 A C 2.066 179.673 177.584 0.038 0.000 1.181 349 A CA 1.539 53.617 52.037 0.068 0.000 0.623 349 A CB -0.393 18.632 19.000 0.043 0.000 0.818 349 A HN 0.443 nan 8.150 nan 0.000 0.443 350 E N -0.245 119.974 120.200 0.033 0.000 2.110 350 E HA -0.116 4.274 4.350 0.066 0.000 0.193 350 E C 2.066 178.663 176.600 -0.005 0.000 0.988 350 E CA 0.918 57.325 56.400 0.011 0.000 0.804 350 E CB -0.275 29.433 29.700 0.014 0.000 0.745 350 E HN 0.616 nan 8.360 nan 0.000 0.458 351 A N 0.110 122.948 122.820 0.028 0.000 2.216 351 A HA 0.102 4.462 4.320 0.066 0.000 0.214 351 A C 1.779 179.260 177.584 -0.172 0.000 1.160 351 A CA 1.123 53.162 52.037 0.004 0.000 0.725 351 A CB -0.366 18.736 19.000 0.171 0.000 0.784 351 A HN 0.388 nan 8.150 nan 0.000 0.472 352 G N -2.694 106.004 108.800 -0.170 0.000 2.179 352 G HA2 -0.201 3.798 3.960 0.066 0.000 0.220 352 G HA3 -0.201 3.798 3.960 0.066 0.000 0.220 352 G C -0.027 174.630 174.900 -0.406 0.000 0.990 352 G CA -0.091 44.823 45.100 -0.310 0.000 0.646 352 G HN 0.329 nan 8.290 nan 0.000 0.517 353 F N 2.013 121.936 119.950 -0.044 0.000 2.384 353 F HA 0.633 5.200 4.527 0.066 0.000 0.338 353 F C 1.142 176.928 175.800 -0.024 0.000 1.103 353 F CA 0.629 58.607 58.000 -0.037 0.000 1.157 353 F CB 1.749 40.724 39.000 -0.042 0.000 1.167 353 F HN 0.241 nan 8.300 nan 0.000 0.529 354 T N -1.144 113.505 114.554 0.158 0.000 2.804 354 T HA 0.642 5.032 4.350 0.066 0.000 0.290 354 T C 0.684 175.433 174.700 0.082 0.000 1.099 354 T CA -0.347 61.804 62.100 0.085 0.000 1.011 354 T CB 1.341 70.230 68.868 0.035 0.000 1.291 354 T HN 0.539 nan 8.240 nan 0.000 0.523 355 A N 0.287 123.139 122.820 0.052 0.000 1.902 355 A HA -0.042 4.318 4.320 0.066 0.000 0.217 355 A C 1.892 179.500 177.584 0.041 0.000 1.181 355 A CA 2.375 54.438 52.037 0.042 0.000 0.623 355 A CB -1.372 17.645 19.000 0.029 0.000 0.818 355 A HN 0.978 nan 8.150 nan 0.000 0.443 356 D N -0.956 119.464 120.400 0.034 0.000 2.234 356 D HA -0.032 4.647 4.640 0.066 0.000 0.205 356 D C 0.638 176.961 176.300 0.038 0.000 0.962 356 D CA 0.871 54.888 54.000 0.028 0.000 0.855 356 D CB 0.032 40.841 40.800 0.015 0.000 0.951 356 D HN 0.322 nan 8.370 nan 0.000 0.500 357 K N 1.128 121.562 120.400 0.056 0.000 2.877 357 K HA 0.260 4.619 4.320 0.066 0.000 0.176 357 K C -2.580 174.136 176.600 0.192 0.000 1.075 357 K CA -1.499 54.837 56.287 0.082 0.000 0.939 357 K CB 1.944 34.459 32.500 0.025 0.000 1.237 357 K HN 0.203 nan 8.250 nan 0.000 0.607 358 P HA 0.061 nan 4.420 nan 0.000 0.275 358 P C -0.447 176.947 177.300 0.157 0.000 1.266 358 P CA -0.795 62.400 63.100 0.158 0.000 0.793 358 P CB 0.712 32.447 31.700 0.059 0.000 1.074 359 L N 0.771 121.914 121.223 -0.132 0.000 2.278 359 L HA 0.395 4.774 4.340 0.066 0.000 0.287 359 L C -0.556 176.273 176.870 -0.068 0.000 1.072 359 L CA 0.700 55.318 54.840 -0.371 0.000 0.819 359 L CB -0.173 41.361 42.059 -0.875 0.000 1.176 359 L HN 0.252 nan 8.230 nan 0.000 0.435 360 T N 6.829 121.411 114.554 0.047 0.000 2.848 360 T HA 0.741 5.130 4.350 0.066 0.000 0.285 360 T C -0.874 173.929 174.700 0.171 0.000 0.995 360 T CA -0.116 61.994 62.100 0.017 0.000 0.970 360 T CB 0.759 69.639 68.868 0.019 0.000 0.976 360 T HN 0.479 nan 8.240 nan 0.000 0.441 361 F N -0.367 119.621 119.950 0.064 0.000 2.779 361 F HA 0.685 5.251 4.527 0.066 0.000 0.316 361 F C -1.342 174.524 175.800 0.109 0.000 1.164 361 F CA -1.379 56.700 58.000 0.132 0.000 0.924 361 F CB 0.862 40.042 39.000 0.300 0.000 1.348 361 F HN 0.225 nan 8.300 nan 0.000 0.467 362 D N 1.789 122.405 120.400 0.361 0.000 2.225 362 D HA 0.447 5.126 4.640 0.066 0.000 0.249 362 D C -1.199 175.297 176.300 0.328 0.000 1.052 362 D CA -0.133 54.008 54.000 0.236 0.000 0.909 362 D CB 2.456 43.379 40.800 0.204 0.000 1.186 362 D HN 0.541 nan 8.370 nan 0.000 0.431 363 L N 2.821 124.190 121.223 0.243 0.000 2.345 363 L HA 0.330 4.709 4.340 0.066 0.000 0.274 363 L C -1.499 175.557 176.870 0.310 0.000 0.999 363 L CA -0.900 54.120 54.840 0.301 0.000 0.849 363 L CB 1.039 43.250 42.059 0.252 0.000 1.220 363 L HN 0.211 nan 8.230 nan 0.000 0.422 364 L N 6.731 128.133 121.223 0.299 0.000 2.326 364 L HA 0.633 5.013 4.340 0.066 0.000 0.278 364 L C -1.041 176.035 176.870 0.343 0.000 1.092 364 L CA 0.053 55.042 54.840 0.249 0.000 0.810 364 L CB 0.833 42.997 42.059 0.176 0.000 1.153 364 L HN 0.654 nan 8.230 nan 0.000 0.439 365 Y N 2.626 122.983 120.300 0.095 0.000 2.571 365 Y HA 0.573 5.163 4.550 0.065 0.000 0.341 365 Y C -0.870 174.794 175.900 -0.392 0.000 1.076 365 Y CA -1.498 56.531 58.100 -0.118 0.000 1.029 365 Y CB 0.823 39.280 38.460 -0.006 0.000 1.308 365 Y HN 0.715 nan 8.280 nan 0.000 0.461 366 N N 0.735 118.970 118.700 -0.775 0.000 2.499 366 N HA 0.122 4.902 4.740 0.066 0.000 0.281 366 N C -0.637 174.842 175.510 -0.052 0.000 1.098 366 N CA -0.353 52.346 53.050 -0.585 0.000 0.979 366 N CB 1.309 39.423 38.487 -0.622 0.000 1.121 366 N HN 0.802 nan 8.380 nan 0.000 0.466 367 T N 1.164 115.675 114.554 -0.072 0.000 2.718 367 T HA 0.064 4.454 4.350 0.066 0.000 0.265 367 T C 0.310 175.098 174.700 0.147 0.000 1.014 367 T CA 0.620 62.756 62.100 0.060 0.000 1.172 367 T CB -0.409 68.465 68.868 0.009 0.000 1.007 367 T HN 0.727 nan 8.240 nan 0.000 0.500 368 S N 1.814 117.643 115.700 0.214 0.000 2.606 368 S HA 0.168 4.677 4.470 0.066 0.000 0.290 368 S C 0.184 174.815 174.600 0.051 0.000 1.103 368 S CA -0.849 57.405 58.200 0.089 0.000 0.870 368 S CB 1.134 64.356 63.200 0.038 0.000 1.077 368 S HN 0.553 nan 8.310 nan 0.000 0.448 369 D N 2.071 122.462 120.400 -0.014 0.000 2.097 369 D HA -0.069 4.611 4.640 0.066 0.000 0.197 369 D C 1.941 178.198 176.300 -0.071 0.000 0.984 369 D CA 1.316 55.301 54.000 -0.025 0.000 0.826 369 D CB -0.126 40.657 40.800 -0.028 0.000 0.973 369 D HN 0.420 nan 8.370 nan 0.000 0.460 370 L N 1.415 122.556 121.223 -0.137 0.000 1.989 370 L HA -0.199 4.181 4.340 0.066 0.000 0.211 370 L C 2.214 179.014 176.870 -0.116 0.000 1.071 370 L CA 1.916 56.653 54.840 -0.172 0.000 0.749 370 L CB -0.821 41.084 42.059 -0.257 0.000 0.890 370 L HN 0.073 nan 8.230 nan 0.000 0.431 371 H N -0.100 118.993 119.070 0.038 0.000 2.389 371 H HA -0.140 4.456 4.556 0.065 0.000 0.299 371 H C 2.195 177.315 175.328 -0.347 0.000 1.081 371 H CA 1.584 57.625 56.048 -0.013 0.000 1.345 371 H CB -0.308 29.507 29.762 0.089 0.000 1.393 371 H HN 0.452 nan 8.280 nan 0.000 0.520 372 K N 1.573 121.788 120.400 -0.309 0.000 2.002 372 K HA -0.141 4.219 4.320 0.066 0.000 0.209 372 K C 1.977 178.427 176.600 -0.250 0.000 1.048 372 K CA 1.244 57.226 56.287 -0.508 0.000 0.930 372 K CB 0.087 32.509 32.500 -0.130 0.000 0.714 372 K HN 0.149 nan 8.250 nan 0.000 0.438 373 K N 0.638 120.961 120.400 -0.128 0.000 2.057 373 K HA -0.113 4.247 4.320 0.066 0.000 0.207 373 K C 2.243 178.793 176.600 -0.084 0.000 1.049 373 K CA 1.341 57.575 56.287 -0.088 0.000 0.931 373 K CB -0.145 32.315 32.500 -0.067 0.000 0.714 373 K HN 0.234 nan 8.250 nan 0.000 0.440 374 L N 0.297 121.484 121.223 -0.060 0.000 2.093 374 L HA -0.142 4.238 4.340 0.066 0.000 0.208 374 L C 2.590 179.451 176.870 -0.014 0.000 1.085 374 L CA 0.971 55.800 54.840 -0.017 0.000 0.755 374 L CB -0.597 41.488 42.059 0.044 0.000 0.904 374 L HN 0.187 nan 8.230 nan 0.000 0.435 375 A N 0.345 123.130 122.820 -0.058 0.000 1.930 375 A HA -0.144 4.215 4.320 0.066 0.000 0.217 375 A C 2.185 179.691 177.584 -0.131 0.000 1.175 375 A CA 1.247 53.223 52.037 -0.102 0.000 0.627 375 A CB -0.526 18.354 19.000 -0.200 0.000 0.815 375 A HN 0.338 nan 8.150 nan 0.000 0.443 376 I N -0.277 120.220 120.570 -0.122 0.000 2.226 376 I HA -0.266 3.943 4.170 0.066 0.000 0.245 376 I C 2.951 179.013 176.117 -0.092 0.000 1.100 376 I CA 1.059 62.307 61.300 -0.086 0.000 1.374 376 I CB -0.315 37.646 38.000 -0.065 0.000 1.057 376 I HN 0.350 nan 8.210 nan 0.000 0.413 377 A N 0.349 123.110 122.820 -0.099 0.000 1.898 377 A HA -0.127 4.232 4.320 0.066 0.000 0.216 377 A C 2.425 179.911 177.584 -0.163 0.000 1.181 377 A CA 1.550 53.524 52.037 -0.104 0.000 0.620 377 A CB -0.893 18.053 19.000 -0.090 0.000 0.819 377 A HN 0.231 nan 8.150 nan 0.000 0.442 378 V N -0.119 119.652 119.914 -0.238 0.000 2.358 378 V HA -0.231 3.928 4.120 0.066 0.000 0.246 378 V C 3.044 178.884 176.094 -0.424 0.000 1.047 378 V CA 1.836 63.850 62.300 -0.477 0.000 1.035 378 V CB -1.178 30.228 31.823 -0.695 0.000 0.658 378 V HN 0.612 nan 8.190 nan 0.000 0.452 379 A N -0.695 121.994 122.820 -0.218 0.000 1.902 379 A HA -0.246 4.113 4.320 0.066 0.000 0.217 379 A C 2.564 180.132 177.584 -0.027 0.000 1.181 379 A CA 2.282 54.280 52.037 -0.066 0.000 0.623 379 A CB -0.797 18.173 19.000 -0.050 0.000 0.818 379 A HN 0.481 nan 8.150 nan 0.000 0.443 380 S N -0.567 115.100 115.700 -0.054 0.000 2.368 380 S HA -0.103 4.406 4.470 0.066 0.000 0.225 380 S C 1.896 176.488 174.600 -0.013 0.000 1.030 380 S CA 1.357 59.541 58.200 -0.027 0.000 0.999 380 S CB -0.523 62.655 63.200 -0.038 0.000 0.844 380 S HN 0.483 nan 8.310 nan 0.000 0.459 381 I N -0.080 120.454 120.570 -0.060 0.000 2.179 381 I HA -0.159 4.051 4.170 0.066 0.000 0.242 381 I C 2.187 178.348 176.117 0.074 0.000 1.088 381 I CA 1.075 62.348 61.300 -0.045 0.000 1.357 381 I CB -0.372 37.536 38.000 -0.153 0.000 1.051 381 I HN 0.414 nan 8.210 nan 0.000 0.409 382 W N 1.488 122.777 121.300 -0.017 0.000 2.388 382 W HA -0.161 4.539 4.660 0.066 0.000 0.294 382 W C 2.662 179.170 176.519 -0.019 0.000 1.212 382 W CA 0.991 58.331 57.345 -0.009 0.000 1.271 382 W CB -0.763 28.691 29.460 -0.009 0.000 1.126 382 W HN 0.094 nan 8.180 nan 0.000 0.535 383 K N 1.371 121.883 120.400 0.186 0.000 2.002 383 K HA -0.201 4.158 4.320 0.066 0.000 0.209 383 K C 2.018 178.663 176.600 0.075 0.000 1.048 383 K CA 2.085 58.425 56.287 0.089 0.000 0.930 383 K CB -0.724 31.802 32.500 0.044 0.000 0.714 383 K HN -0.017 nan 8.250 nan 0.000 0.438 384 K N -0.398 120.044 120.400 0.070 0.000 2.097 384 K HA -0.089 4.271 4.320 0.066 0.000 0.205 384 K C 1.183 177.825 176.600 0.069 0.000 1.050 384 K CA 1.549 57.869 56.287 0.055 0.000 0.938 384 K CB -0.071 32.452 32.500 0.039 0.000 0.718 384 K HN 0.121 nan 8.250 nan 0.000 0.442 385 N N 0.230 118.991 118.700 0.102 0.000 2.395 385 N HA -0.035 4.744 4.740 0.066 0.000 0.175 385 N C 1.093 176.669 175.510 0.110 0.000 1.029 385 N CA 0.585 53.702 53.050 0.111 0.000 0.897 385 N CB 0.343 38.917 38.487 0.146 0.000 0.991 385 N HN 0.166 nan 8.380 nan 0.000 0.441 386 L N -1.372 119.922 121.223 0.118 0.000 3.039 386 L HA 0.420 4.799 4.340 0.066 0.000 0.269 386 L C 0.762 177.654 176.870 0.037 0.000 1.169 386 L CA 0.464 55.346 54.840 0.071 0.000 0.986 386 L CB 0.116 42.212 42.059 0.063 0.000 1.377 386 L HN 0.180 nan 8.230 nan 0.000 0.575 387 G N 0.639 109.468 108.800 0.048 0.000 2.160 387 G HA2 -0.221 3.778 3.960 0.066 0.000 0.251 387 G HA3 -0.221 3.778 3.960 0.066 0.000 0.251 387 G C 0.231 175.130 174.900 -0.001 0.000 1.008 387 G CA 0.519 45.634 45.100 0.025 0.000 0.724 387 G HN 0.855 nan 8.290 nan 0.000 0.514 388 V N -2.488 117.423 119.914 -0.006 0.000 2.617 388 V HA 0.796 4.956 4.120 0.066 0.000 0.298 388 V C -0.045 176.002 176.094 -0.078 0.000 1.048 388 V CA -1.626 60.637 62.300 -0.061 0.000 0.964 388 V CB 1.829 33.604 31.823 -0.079 0.000 1.004 388 V HN 0.186 nan 8.190 nan 0.000 0.466 389 N N 2.761 121.377 118.700 -0.140 0.000 2.421 389 N HA 0.631 5.410 4.740 0.066 0.000 0.285 389 N C -1.015 174.296 175.510 -0.331 0.000 1.027 389 N CA -0.268 52.691 53.050 -0.153 0.000 0.918 389 N CB 2.027 40.461 38.487 -0.087 0.000 1.152 389 N HN 0.648 nan 8.380 nan 0.000 0.485 390 V N 2.359 122.101 119.914 -0.287 0.000 2.604 390 V HA 0.351 4.510 4.120 0.066 0.000 0.305 390 V C -0.374 175.629 176.094 -0.152 0.000 1.043 390 V CA -0.892 61.179 62.300 -0.382 0.000 0.888 390 V CB 1.829 33.472 31.823 -0.300 0.000 0.995 390 V HN 0.597 nan 8.190 nan 0.000 0.429 391 N N 3.961 122.604 118.700 -0.095 0.000 2.444 391 N HA 0.555 5.335 4.740 0.066 0.000 0.262 391 N C -1.060 174.486 175.510 0.061 0.000 0.974 391 N CA -0.652 52.398 53.050 -0.001 0.000 0.933 391 N CB 1.458 39.957 38.487 0.020 0.000 1.137 391 N HN 0.394 nan 8.380 nan 0.000 0.498 392 L N 2.145 123.423 121.223 0.092 0.000 2.397 392 L HA 0.273 4.652 4.340 0.066 0.000 0.271 392 L C 0.206 177.177 176.870 0.169 0.000 1.148 392 L CA 0.427 55.380 54.840 0.189 0.000 0.825 392 L CB 0.412 42.618 42.059 0.245 0.000 1.117 392 L HN 0.539 nan 8.230 nan 0.000 0.456 393 E N 2.559 122.858 120.200 0.164 0.000 2.278 393 E HA 0.309 4.698 4.350 0.066 0.000 0.272 393 E C -1.196 175.240 176.600 -0.274 0.000 0.890 393 E CA -0.799 55.605 56.400 0.007 0.000 0.770 393 E CB 1.738 31.459 29.700 0.035 0.000 1.212 393 E HN 0.585 nan 8.360 nan 0.000 0.415 394 N N 2.687 121.131 118.700 -0.427 0.000 2.417 394 N HA 0.304 5.084 4.740 0.066 0.000 0.300 394 N C -0.678 174.641 175.510 -0.319 0.000 1.102 394 N CA -0.574 52.019 53.050 -0.762 0.000 0.886 394 N CB 2.105 40.142 38.487 -0.751 0.000 1.203 394 N HN 0.435 nan 8.380 nan 0.000 0.496 395 Q N 0.041 119.688 119.800 -0.256 0.000 2.421 395 Q HA 0.278 4.658 4.340 0.066 0.000 0.280 395 Q C -0.975 175.000 176.000 -0.042 0.000 1.085 395 Q CA -0.864 54.892 55.803 -0.077 0.000 0.807 395 Q CB 2.220 30.978 28.738 0.033 0.000 1.405 395 Q HN 0.538 nan 8.270 nan 0.000 0.419 396 E N 0.850 121.064 120.200 0.024 0.000 2.392 396 E HA -0.083 4.306 4.350 0.066 0.000 0.259 396 E C 0.408 177.123 176.600 0.190 0.000 1.108 396 E CA 0.051 56.502 56.400 0.084 0.000 0.916 396 E CB 0.467 30.216 29.700 0.081 0.000 0.989 396 E HN 0.720 nan 8.360 nan 0.000 0.432 397 W N 3.229 124.534 121.300 0.008 0.000 2.290 397 W HA -0.354 4.346 4.660 0.067 0.000 0.328 397 W C 1.800 178.411 176.519 0.152 0.000 1.272 397 W CA 2.095 59.491 57.345 0.085 0.000 1.262 397 W CB -0.022 29.459 29.460 0.036 0.000 1.151 397 W HN 0.565 nan 8.180 nan 0.000 0.473 398 K N -0.514 119.967 120.400 0.135 0.000 2.063 398 K HA -0.190 4.170 4.320 0.066 0.000 0.208 398 K C 1.980 178.556 176.600 -0.040 0.000 1.048 398 K CA 2.344 58.616 56.287 -0.025 0.000 0.928 398 K CB -0.437 32.107 32.500 0.073 0.000 0.713 398 K HN 0.044 nan 8.250 nan 0.000 0.442 399 T N 0.870 115.441 114.554 0.028 0.000 2.746 399 T HA -0.153 4.237 4.350 0.066 0.000 0.267 399 T C 1.375 176.073 174.700 -0.003 0.000 1.039 399 T CA 1.362 63.471 62.100 0.014 0.000 1.142 399 T CB -0.405 68.484 68.868 0.035 0.000 0.866 399 T HN 0.306 nan 8.240 nan 0.000 0.444 400 F N 2.116 121.975 119.950 -0.153 0.000 2.065 400 F HA -0.125 4.441 4.527 0.065 0.000 0.298 400 F C 1.885 177.492 175.800 -0.321 0.000 1.112 400 F CA 1.304 59.172 58.000 -0.220 0.000 1.212 400 F CB -0.637 38.255 39.000 -0.180 0.000 0.975 400 F HN 0.058 nan 8.300 nan 0.000 0.476 401 L N -0.038 120.890 121.223 -0.491 0.000 2.083 401 L HA -0.201 4.179 4.340 0.066 0.000 0.209 401 L C 2.215 178.882 176.870 -0.339 0.000 1.083 401 L CA 1.778 56.248 54.840 -0.617 0.000 0.752 401 L CB -0.963 40.766 42.059 -0.549 0.000 0.899 401 L HN 0.199 nan 8.230 nan 0.000 0.433 402 D N -0.385 119.912 120.400 -0.171 0.000 2.117 402 D HA -0.174 4.506 4.640 0.066 0.000 0.197 402 D C 2.016 178.270 176.300 -0.077 0.000 0.987 402 D CA 1.596 55.568 54.000 -0.047 0.000 0.829 402 D CB 0.157 40.937 40.800 -0.034 0.000 0.961 402 D HN 0.096 nan 8.370 nan 0.000 0.460 403 T N -0.269 114.190 114.554 -0.158 0.000 2.684 403 T HA -0.150 4.240 4.350 0.066 0.000 0.267 403 T C 2.012 176.584 174.700 -0.214 0.000 1.036 403 T CA 1.279 63.291 62.100 -0.147 0.000 1.148 403 T CB -0.201 68.571 68.868 -0.160 0.000 0.863 403 T HN 0.181 nan 8.240 nan 0.000 0.436 404 R N -0.042 120.151 120.500 -0.512 0.000 2.081 404 R HA -0.070 4.309 4.340 0.066 0.000 0.235 404 R C 2.495 178.723 176.300 -0.120 0.000 1.131 404 R CA 1.220 56.931 56.100 -0.648 0.000 0.960 404 R CB -0.325 29.393 30.300 -0.969 0.000 0.856 404 R HN 0.506 nan 8.270 nan 0.000 0.436 405 H N 0.799 119.823 119.070 -0.077 0.000 2.389 405 H HA -0.074 4.521 4.556 0.065 0.000 0.299 405 H C 2.007 177.430 175.328 0.159 0.000 1.081 405 H CA 1.232 57.310 56.048 0.050 0.000 1.345 405 H CB 0.092 29.827 29.762 -0.044 0.000 1.393 405 H HN 0.368 nan 8.280 nan 0.000 0.520 406 Q N -0.067 119.845 119.800 0.186 0.000 2.226 406 Q HA -0.050 4.330 4.340 0.066 0.000 0.204 406 Q C 1.100 177.132 176.000 0.054 0.000 0.975 406 Q CA 0.743 56.610 55.803 0.107 0.000 0.866 406 Q CB 0.078 28.851 28.738 0.058 0.000 0.915 406 Q HN 0.577 nan 8.270 nan 0.000 0.440 407 G N 1.558 110.431 108.800 0.121 0.000 2.314 407 G HA2 -0.278 3.722 3.960 0.066 0.000 0.292 407 G HA3 -0.278 3.722 3.960 0.066 0.000 0.292 407 G C 0.460 175.205 174.900 -0.258 0.000 1.059 407 G CA 0.762 45.737 45.100 -0.209 0.000 0.982 407 G HN 0.467 nan 8.290 nan 0.000 0.505 408 T N -2.816 111.712 114.554 -0.044 0.000 3.144 408 T HA 0.510 4.899 4.350 0.066 0.000 0.290 408 T C 0.887 175.568 174.700 -0.031 0.000 0.966 408 T CA 0.280 62.332 62.100 -0.080 0.000 0.907 408 T CB -0.105 68.749 68.868 -0.024 0.000 1.152 408 T HN 1.172 nan 8.240 nan 0.000 0.532 409 F N 1.400 121.305 119.950 -0.074 0.000 2.373 409 F HA 0.703 5.270 4.527 0.066 0.000 0.302 409 F C 0.700 176.452 175.800 -0.080 0.000 1.247 409 F CA -0.666 57.303 58.000 -0.053 0.000 1.169 409 F CB 0.398 39.358 39.000 -0.066 0.000 1.309 409 F HN -0.264 nan 8.300 nan 0.000 0.537 410 D N -0.182 120.198 120.400 -0.034 0.000 3.032 410 D HA 0.215 4.895 4.640 0.066 0.000 0.280 410 D C -0.359 175.585 176.300 -0.593 0.000 1.381 410 D CA 0.857 54.617 54.000 -0.400 0.000 1.068 410 D CB 0.275 41.052 40.800 -0.038 0.000 1.148 410 D HN 0.253 nan 8.370 nan 0.000 0.401 411 V N 0.397 120.275 119.914 -0.061 0.000 2.789 411 V HA 0.770 4.929 4.120 0.066 0.000 0.311 411 V C -0.864 175.441 176.094 0.351 0.000 1.073 411 V CA -0.918 61.435 62.300 0.088 0.000 0.921 411 V CB 1.908 33.769 31.823 0.064 0.000 1.009 411 V HN 0.330 nan 8.190 nan 0.000 0.426 412 A N 3.743 126.753 122.820 0.318 0.000 2.449 412 A HA 0.784 5.143 4.320 0.066 0.000 0.302 412 A C -0.416 177.273 177.584 0.175 0.000 1.048 412 A CA -0.790 51.356 52.037 0.182 0.000 0.708 412 A CB 1.687 20.537 19.000 -0.251 0.000 1.274 412 A HN 0.744 nan 8.150 nan 0.000 0.410 413 R N 1.378 122.011 120.500 0.222 0.000 2.489 413 R HA 0.478 4.858 4.340 0.066 0.000 0.287 413 R C -0.417 175.696 176.300 -0.312 0.000 1.053 413 R CA 0.960 56.992 56.100 -0.113 0.000 1.036 413 R CB 0.325 30.598 30.300 -0.046 0.000 0.966 413 R HN 1.104 nan 8.270 nan 0.000 0.432 414 A N 2.398 124.770 122.820 -0.747 0.000 2.556 414 A HA 0.733 5.092 4.320 0.066 0.000 0.294 414 A C -0.965 176.182 177.584 -0.730 0.000 1.091 414 A CA -0.227 51.373 52.037 -0.729 0.000 0.704 414 A CB 2.184 20.497 19.000 -1.145 0.000 1.300 414 A HN 0.763 nan 8.150 nan 0.000 0.406 415 G N 0.149 108.827 108.800 -0.204 0.000 2.711 415 G HA2 0.504 4.504 3.960 0.066 0.000 0.288 415 G HA3 0.504 4.504 3.960 0.066 0.000 0.288 415 G C -1.279 173.800 174.900 0.299 0.000 1.451 415 G CA -0.197 44.991 45.100 0.146 0.000 1.186 415 G HN 0.803 nan 8.290 nan 0.000 0.560 416 W N 3.417 124.840 121.300 0.205 0.000 2.429 416 W HA 0.548 5.250 4.660 0.070 0.000 0.314 416 W C -1.050 175.309 176.519 -0.267 0.000 1.062 416 W CA -0.798 56.503 57.345 -0.073 0.000 1.211 416 W CB 1.807 31.134 29.460 -0.221 0.000 1.305 416 W HN 0.454 nan 8.180 nan 0.000 0.476 417 c N 4.704 122.787 118.600 -0.862 0.000 2.355 417 c HA 0.628 5.237 4.570 0.066 0.000 0.332 417 c C 0.891 174.407 174.090 -0.957 0.000 1.255 417 c CA -0.537 55.346 56.329 -0.743 0.000 1.792 417 c CB 0.469 42.613 42.510 -0.610 0.000 2.300 417 c HN 0.698 nan 8.230 nan 0.000 0.515 418 A N 2.414 124.944 122.820 -0.484 0.000 2.520 418 A HA 0.172 4.531 4.320 0.066 0.000 0.235 418 A C 0.875 178.288 177.584 -0.284 0.000 1.065 418 A CA 0.354 52.182 52.037 -0.349 0.000 0.764 418 A CB 0.214 19.173 19.000 -0.068 0.000 1.002 418 A HN 0.926 nan 8.150 nan 0.000 0.502 419 D N -0.777 119.508 120.400 -0.191 0.000 2.355 419 D HA 0.161 4.840 4.640 0.066 0.000 0.206 419 D C -0.254 176.173 176.300 0.212 0.000 1.010 419 D CA 1.387 55.416 54.000 0.049 0.000 0.875 419 D CB 0.163 41.035 40.800 0.121 0.000 0.966 419 D HN 0.690 nan 8.370 nan 0.000 0.512 420 Y N -1.618 118.710 120.300 0.047 0.000 2.571 420 Y HA 0.476 5.063 4.550 0.063 0.000 0.341 420 Y C -0.655 175.234 175.900 -0.018 0.000 1.076 420 Y CA -1.533 56.577 58.100 0.017 0.000 1.029 420 Y CB 0.585 39.047 38.460 0.004 0.000 1.308 420 Y HN -0.406 nan 8.280 nan 0.000 0.461 421 N N 2.967 121.713 118.700 0.077 0.000 2.663 421 N HA 0.201 4.980 4.740 0.066 0.000 0.250 421 N C -1.195 174.278 175.510 -0.062 0.000 1.129 421 N CA 0.369 53.405 53.050 -0.023 0.000 0.995 421 N CB -0.120 38.382 38.487 0.025 0.000 1.324 421 N HN 0.770 nan 8.380 nan 0.000 0.512 422 E N 2.613 122.694 120.200 -0.199 0.000 2.400 422 E HA 0.218 4.608 4.350 0.066 0.000 0.285 422 E C -2.384 173.964 176.600 -0.421 0.000 1.005 422 E CA -1.441 54.793 56.400 -0.277 0.000 0.816 422 E CB 1.788 31.313 29.700 -0.292 0.000 1.220 422 E HN 0.089 nan 8.360 nan 0.000 0.426 423 P HA -0.161 nan 4.420 nan 0.000 0.217 423 P C 1.207 178.142 177.300 -0.608 0.000 1.148 423 P CA 2.251 64.971 63.100 -0.634 0.000 0.828 423 P CB 0.087 31.226 31.700 -0.935 0.000 0.783 424 T N -4.406 109.769 114.554 -0.632 0.000 2.929 424 T HA -0.120 4.269 4.350 0.066 0.000 0.271 424 T C 1.988 176.480 174.700 -0.347 0.000 1.085 424 T CA 1.355 63.244 62.100 -0.352 0.000 1.125 424 T CB -1.212 67.610 68.868 -0.077 0.000 0.874 424 T HN 0.003 nan 8.240 nan 0.000 0.494 425 S N -0.120 115.226 115.700 -0.590 0.000 2.400 425 S HA -0.018 4.492 4.470 0.066 0.000 0.232 425 S C 1.354 175.823 174.600 -0.217 0.000 1.025 425 S CA 0.821 58.609 58.200 -0.687 0.000 0.993 425 S CB -0.562 61.969 63.200 -1.115 0.000 0.808 425 S HN 0.574 nan 8.310 nan 0.000 0.478 426 F N 0.898 120.656 119.950 -0.321 0.000 2.188 426 F HA 0.319 4.884 4.527 0.063 0.000 0.289 426 F C 1.956 177.600 175.800 -0.260 0.000 1.082 426 F CA 0.551 58.325 58.000 -0.376 0.000 1.282 426 F CB -0.433 38.224 39.000 -0.573 0.000 1.060 426 F HN 0.104 nan 8.300 nan 0.000 0.493 427 L N 0.043 121.273 121.223 0.012 0.000 2.131 427 L HA -0.243 4.137 4.340 0.066 0.000 0.210 427 L C 1.850 178.795 176.870 0.124 0.000 1.092 427 L CA 0.945 55.878 54.840 0.155 0.000 0.759 427 L CB -0.671 41.417 42.059 0.049 0.000 0.903 427 L HN 0.148 nan 8.230 nan 0.000 0.435 428 N N -0.475 118.127 118.700 -0.163 0.000 2.381 428 N HA -0.134 4.646 4.740 0.066 0.000 0.182 428 N C 1.901 177.293 175.510 -0.196 0.000 1.025 428 N CA 1.689 54.566 53.050 -0.287 0.000 0.888 428 N CB -0.384 37.510 38.487 -0.988 0.000 0.965 428 N HN 0.457 nan 8.380 nan 0.000 0.438 429 T N -2.309 112.095 114.554 -0.251 0.000 3.035 429 T HA 0.033 4.423 4.350 0.066 0.000 0.268 429 T C 1.424 176.016 174.700 -0.179 0.000 1.109 429 T CA 0.628 62.565 62.100 -0.272 0.000 1.119 429 T CB 0.004 68.444 68.868 -0.712 0.000 0.900 429 T HN -0.028 nan 8.240 nan 0.000 0.503 430 M N 0.755 120.309 119.600 -0.077 0.000 2.428 430 M HA 0.423 4.943 4.480 0.066 0.000 0.239 430 M C 0.302 176.653 176.300 0.085 0.000 1.121 430 M CA -0.205 55.011 55.300 -0.139 0.000 1.019 430 M CB -0.605 31.688 32.600 -0.512 0.000 1.485 430 M HN 0.294 nan 8.290 nan 0.000 0.484 431 L N 0.169 121.531 121.223 0.232 0.000 2.485 431 L HA 0.011 4.390 4.340 0.066 0.000 0.275 431 L C 1.765 178.706 176.870 0.118 0.000 1.207 431 L CA -0.286 54.709 54.840 0.257 0.000 0.855 431 L CB 0.305 42.495 42.059 0.219 0.000 1.114 431 L HN 0.185 nan 8.230 nan 0.000 0.485 432 S N 0.960 116.712 115.700 0.086 0.000 2.374 432 S HA -0.185 4.325 4.470 0.066 0.000 0.227 432 S C 1.133 175.743 174.600 0.017 0.000 1.037 432 S CA 1.841 60.047 58.200 0.010 0.000 1.024 432 S CB -0.245 62.953 63.200 -0.002 0.000 0.861 432 S HN 0.912 nan 8.310 nan 0.000 0.456 433 D N 0.467 120.893 120.400 0.043 0.000 2.368 433 D HA 0.151 4.831 4.640 0.066 0.000 0.218 433 D C 0.252 176.576 176.300 0.040 0.000 1.112 433 D CA -0.061 53.960 54.000 0.035 0.000 0.834 433 D CB -0.287 40.536 40.800 0.039 0.000 0.953 433 D HN 0.139 nan 8.370 nan 0.000 0.505 434 S N 0.360 116.094 115.700 0.057 0.000 2.549 434 S HA 0.106 4.616 4.470 0.066 0.000 0.283 434 S C 1.571 176.174 174.600 0.004 0.000 1.320 434 S CA 0.110 58.354 58.200 0.073 0.000 1.058 434 S CB 0.836 64.105 63.200 0.115 0.000 0.882 434 S HN 0.301 nan 8.310 nan 0.000 0.498 435 S N 3.771 119.458 115.700 -0.022 0.000 2.474 435 S HA -0.081 4.429 4.470 0.066 0.000 0.235 435 S C 0.941 175.520 174.600 -0.035 0.000 0.997 435 S CA 1.152 59.319 58.200 -0.054 0.000 0.949 435 S CB -0.637 62.508 63.200 -0.091 0.000 0.766 435 S HN 0.859 nan 8.310 nan 0.000 0.517 436 N N 1.523 120.181 118.700 -0.069 0.000 2.336 436 N HA 0.137 4.917 4.740 0.066 0.000 0.189 436 N C -0.013 175.368 175.510 -0.215 0.000 1.113 436 N CA -0.112 52.851 53.050 -0.144 0.000 0.858 436 N CB -0.015 38.309 38.487 -0.271 0.000 0.970 436 N HN 0.239 nan 8.380 nan 0.000 0.471 437 N N 1.395 119.992 118.700 -0.173 0.000 2.605 437 N HA 0.005 4.785 4.740 0.066 0.000 0.258 437 N C 0.472 175.742 175.510 -0.400 0.000 1.156 437 N CA 0.223 53.125 53.050 -0.246 0.000 1.008 437 N CB 0.343 38.731 38.487 -0.166 0.000 1.354 437 N HN 0.194 nan 8.380 nan 0.000 0.509 438 T N -1.188 113.129 114.554 -0.395 0.000 3.081 438 T HA 0.156 4.545 4.350 0.066 0.000 0.250 438 T C 1.554 176.139 174.700 -0.192 0.000 1.100 438 T CA 0.295 62.133 62.100 -0.437 0.000 1.038 438 T CB 0.221 68.815 68.868 -0.457 0.000 0.962 438 T HN 0.278 nan 8.240 nan 0.000 0.516 439 A N 1.223 123.938 122.820 -0.174 0.000 2.119 439 A HA 0.043 4.403 4.320 0.066 0.000 0.216 439 A C 0.930 178.548 177.584 0.058 0.000 1.152 439 A CA 0.354 52.383 52.037 -0.014 0.000 0.708 439 A CB -0.819 18.111 19.000 -0.117 0.000 0.805 439 A HN 0.719 nan 8.150 nan 0.000 0.460 440 H N -3.117 115.954 119.070 0.000 0.000 2.770 440 H HA -0.227 4.369 4.556 0.066 0.000 0.309 440 H C -0.519 174.815 175.328 0.010 0.000 1.206 440 H CA 1.149 57.193 56.048 -0.007 0.000 1.147 440 H CB -2.022 27.718 29.762 -0.037 0.000 1.422 440 H HN 0.700 nan 8.280 nan 0.000 0.420 441 Y N 1.473 121.712 120.300 -0.102 0.000 2.313 441 Y HA 0.406 4.995 4.550 0.066 0.000 0.332 441 Y C -0.106 175.727 175.900 -0.110 0.000 1.071 441 Y CA -0.432 57.589 58.100 -0.131 0.000 1.169 441 Y CB 0.908 39.226 38.460 -0.236 0.000 1.192 441 Y HN 0.043 nan 8.280 nan 0.000 0.487 442 K N 5.004 125.060 120.400 -0.573 0.000 2.656 442 K HA 0.292 4.652 4.320 0.066 0.000 0.241 442 K C -1.356 174.909 176.600 -0.557 0.000 0.967 442 K CA -0.523 55.501 56.287 -0.438 0.000 0.946 442 K CB 1.521 33.907 32.500 -0.189 0.000 1.164 442 K HN 0.537 nan 8.250 nan 0.000 0.459 443 S N 3.363 118.713 115.700 -0.583 0.000 2.733 443 S HA 0.362 4.872 4.470 0.066 0.000 0.307 443 S C -2.170 172.400 174.600 -0.050 0.000 1.127 443 S CA -1.751 56.251 58.200 -0.330 0.000 1.097 443 S CB 1.100 64.086 63.200 -0.356 0.000 1.003 443 S HN 0.201 nan 8.310 nan 0.000 0.477 444 P HA -0.065 nan 4.420 nan 0.000 0.216 444 P C 1.423 178.754 177.300 0.052 0.000 1.150 444 P CA 1.470 64.579 63.100 0.015 0.000 0.837 444 P CB 0.138 31.837 31.700 -0.001 0.000 0.786 445 A N -1.305 121.554 122.820 0.065 0.000 1.902 445 A HA -0.193 4.166 4.320 0.066 0.000 0.217 445 A C 2.107 179.769 177.584 0.128 0.000 1.181 445 A CA 1.318 53.406 52.037 0.085 0.000 0.623 445 A CB -1.789 17.266 19.000 0.092 0.000 0.818 445 A HN 0.170 nan 8.150 nan 0.000 0.443 446 F N 1.263 121.240 119.950 0.045 0.000 2.113 446 F HA -0.173 4.393 4.527 0.065 0.000 0.297 446 F C 1.785 177.630 175.800 0.074 0.000 1.103 446 F CA 2.077 60.132 58.000 0.093 0.000 1.248 446 F CB -0.198 38.912 39.000 0.184 0.000 0.999 446 F HN 0.222 nan 8.300 nan 0.000 0.475 447 D N 0.530 121.050 120.400 0.200 0.000 2.133 447 D HA -0.221 4.459 4.640 0.066 0.000 0.195 447 D C 2.110 178.401 176.300 -0.015 0.000 0.997 447 D CA 1.534 55.588 54.000 0.090 0.000 0.840 447 D CB -0.401 40.468 40.800 0.115 0.000 0.947 447 D HN 0.189 nan 8.370 nan 0.000 0.452 448 K N 0.909 121.308 120.400 -0.002 0.000 2.057 448 K HA -0.046 4.314 4.320 0.066 0.000 0.206 448 K C 2.170 178.740 176.600 -0.050 0.000 1.050 448 K CA 0.796 57.075 56.287 -0.013 0.000 0.935 448 K CB -0.662 31.839 32.500 0.003 0.000 0.715 448 K HN 0.129 nan 8.250 nan 0.000 0.439 449 L N 0.419 121.588 121.223 -0.090 0.000 2.013 449 L HA -0.215 4.165 4.340 0.066 0.000 0.212 449 L C 2.236 179.027 176.870 -0.132 0.000 1.073 449 L CA 0.984 55.754 54.840 -0.117 0.000 0.753 449 L CB -0.546 41.425 42.059 -0.147 0.000 0.890 449 L HN 0.184 nan 8.230 nan 0.000 0.432 450 I N 0.039 120.485 120.570 -0.207 0.000 2.315 450 I HA -0.216 3.994 4.170 0.066 0.000 0.248 450 I C 2.847 178.968 176.117 0.005 0.000 1.117 450 I CA 1.516 62.758 61.300 -0.098 0.000 1.404 450 I CB -1.683 36.216 38.000 -0.169 0.000 1.071 450 I HN 0.182 nan 8.210 nan 0.000 0.419 451 A N 0.793 123.612 122.820 -0.001 0.000 1.908 451 A HA -0.221 4.138 4.320 0.066 0.000 0.218 451 A C 1.912 179.496 177.584 0.000 0.000 1.181 451 A CA 1.995 54.047 52.037 0.025 0.000 0.627 451 A CB -0.642 18.371 19.000 0.021 0.000 0.818 451 A HN 0.365 nan 8.150 nan 0.000 0.445 452 D N -0.431 119.957 120.400 -0.019 0.000 2.310 452 D HA -0.094 4.585 4.640 0.066 0.000 0.212 452 D C 2.202 178.478 176.300 -0.039 0.000 0.965 452 D CA 1.651 55.633 54.000 -0.031 0.000 0.879 452 D CB -0.583 40.193 40.800 -0.040 0.000 0.921 452 D HN 0.668 nan 8.370 nan 0.000 0.510 453 T N -1.243 113.292 114.554 -0.032 0.000 2.849 453 T HA -0.115 4.274 4.350 0.066 0.000 0.270 453 T C 1.828 176.529 174.700 0.002 0.000 1.066 453 T CA 0.706 62.773 62.100 -0.054 0.000 1.130 453 T CB -0.297 68.564 68.868 -0.011 0.000 0.864 453 T HN 0.164 nan 8.240 nan 0.000 0.481 454 L N -0.421 120.815 121.223 0.021 0.000 2.700 454 L HA 0.372 4.751 4.340 0.066 0.000 0.234 454 L C 2.053 178.910 176.870 -0.022 0.000 1.156 454 L CA 0.100 54.944 54.840 0.007 0.000 0.946 454 L CB 0.078 42.115 42.059 -0.036 0.000 1.216 454 L HN 0.168 nan 8.230 nan 0.000 0.493 455 K N -0.145 120.241 120.400 -0.024 0.000 2.358 455 K HA 0.132 4.491 4.320 0.066 0.000 0.197 455 K C 0.266 176.856 176.600 -0.015 0.000 1.025 455 K CA 0.024 56.298 56.287 -0.022 0.000 1.104 455 K CB 0.877 33.363 32.500 -0.024 0.000 0.855 455 K HN 0.155 nan 8.250 nan 0.000 0.531 456 V N -2.696 117.207 119.914 -0.019 0.000 2.850 456 V HA 0.719 4.879 4.120 0.066 0.000 0.315 456 V C -0.036 176.057 176.094 -0.002 0.000 1.064 456 V CA -0.924 61.366 62.300 -0.017 0.000 0.979 456 V CB 1.635 33.436 31.823 -0.037 0.000 1.039 456 V HN -0.062 nan 8.190 nan 0.000 0.452 457 A N 1.846 124.672 122.820 0.009 0.000 2.855 457 A HA 0.533 4.892 4.320 0.066 0.000 0.301 457 A C -0.041 177.558 177.584 0.024 0.000 1.076 457 A CA -0.044 52.009 52.037 0.028 0.000 1.004 457 A CB -0.656 18.375 19.000 0.052 0.000 1.152 457 A HN 0.957 nan 8.150 nan 0.000 0.531 458 D N -0.560 119.843 120.400 0.005 0.000 2.863 458 D HA 0.191 4.870 4.640 0.066 0.000 0.245 458 D C -0.494 175.797 176.300 -0.014 0.000 1.211 458 D CA -0.300 53.702 54.000 0.003 0.000 0.888 458 D CB 1.541 42.340 40.800 -0.002 0.000 1.483 458 D HN -0.014 nan 8.370 nan 0.000 0.533 459 D N 1.811 122.212 120.400 0.002 0.000 2.149 459 D HA -0.121 4.559 4.640 0.066 0.000 0.198 459 D C 1.507 177.789 176.300 -0.030 0.000 0.990 459 D CA 1.378 55.377 54.000 -0.002 0.000 0.839 459 D CB 0.196 41.013 40.800 0.027 0.000 0.948 459 D HN 0.461 nan 8.370 nan 0.000 0.460 460 T N 0.806 115.347 114.554 -0.022 0.000 2.737 460 T HA -0.137 4.252 4.350 0.066 0.000 0.265 460 T C 1.990 176.654 174.700 -0.060 0.000 1.038 460 T CA 1.026 63.108 62.100 -0.029 0.000 1.144 460 T CB -0.110 68.749 68.868 -0.014 0.000 0.866 460 T HN 0.242 nan 8.240 nan 0.000 0.434 461 Q N 0.274 120.035 119.800 -0.064 0.000 2.079 461 Q HA -0.040 4.339 4.340 0.066 0.000 0.200 461 Q C 2.563 178.467 176.000 -0.160 0.000 0.974 461 Q CA 1.095 56.847 55.803 -0.085 0.000 0.840 461 Q CB -0.126 28.575 28.738 -0.062 0.000 0.898 461 Q HN 0.357 nan 8.270 nan 0.000 0.430 462 R N 0.016 120.393 120.500 -0.204 0.000 2.073 462 R HA -0.102 4.277 4.340 0.066 0.000 0.234 462 R C 2.395 178.303 176.300 -0.653 0.000 1.134 462 R CA 1.499 57.340 56.100 -0.431 0.000 0.952 462 R CB -0.055 30.044 30.300 -0.335 0.000 0.850 462 R HN 0.074 nan 8.270 nan 0.000 0.433 463 S N 0.468 115.978 115.700 -0.317 0.000 2.382 463 S HA -0.131 4.379 4.470 0.066 0.000 0.228 463 S C 1.518 176.055 174.600 -0.106 0.000 1.027 463 S CA 1.307 59.419 58.200 -0.146 0.000 0.991 463 S CB -0.079 63.108 63.200 -0.021 0.000 0.823 463 S HN 0.419 nan 8.310 nan 0.000 0.469 464 E N 0.657 120.791 120.200 -0.110 0.000 2.150 464 E HA -0.069 4.320 4.350 0.066 0.000 0.193 464 E C 1.993 178.549 176.600 -0.073 0.000 0.985 464 E CA 0.716 57.078 56.400 -0.064 0.000 0.814 464 E CB -0.206 29.463 29.700 -0.052 0.000 0.752 464 E HN 0.428 nan 8.360 nan 0.000 0.466 465 L N -0.051 121.080 121.223 -0.154 0.000 2.056 465 L HA -0.181 4.198 4.340 0.066 0.000 0.207 465 L C 2.290 179.129 176.870 -0.052 0.000 1.078 465 L CA 1.275 56.031 54.840 -0.139 0.000 0.749 465 L CB -0.456 41.471 42.059 -0.220 0.000 0.901 465 L HN 0.220 nan 8.230 nan 0.000 0.433 466 Y N -0.534 119.738 120.300 -0.047 0.000 2.181 466 Y HA -0.285 4.305 4.550 0.066 0.000 0.288 466 Y C 2.686 178.570 175.900 -0.027 0.000 1.146 466 Y CA 0.322 58.391 58.100 -0.053 0.000 1.164 466 Y CB -0.357 38.066 38.460 -0.061 0.000 0.982 466 Y HN 0.211 nan 8.280 nan 0.000 0.515 467 A N 0.612 123.508 122.820 0.126 0.000 1.902 467 A HA -0.228 4.132 4.320 0.066 0.000 0.217 467 A C 2.059 179.687 177.584 0.074 0.000 1.181 467 A CA 1.871 53.956 52.037 0.080 0.000 0.623 467 A CB -0.515 18.512 19.000 0.045 0.000 0.818 467 A HN 0.383 nan 8.150 nan 0.000 0.443 468 K N -0.353 120.079 120.400 0.053 0.000 2.147 468 K HA -0.013 4.346 4.320 0.066 0.000 0.205 468 K C 2.234 178.888 176.600 0.089 0.000 1.049 468 K CA 1.016 57.336 56.287 0.056 0.000 0.936 468 K CB -0.283 32.233 32.500 0.026 0.000 0.722 468 K HN 0.456 nan 8.250 nan 0.000 0.446 469 A N 1.485 124.354 122.820 0.083 0.000 1.898 469 A HA -0.171 4.188 4.320 0.066 0.000 0.216 469 A C 1.911 179.670 177.584 0.291 0.000 1.181 469 A CA 1.334 53.441 52.037 0.116 0.000 0.620 469 A CB -0.234 18.717 19.000 -0.082 0.000 0.819 469 A HN 0.150 nan 8.150 nan 0.000 0.442 470 E N 0.020 120.342 120.200 0.203 0.000 2.110 470 E HA -0.210 4.179 4.350 0.066 0.000 0.193 470 E C 2.179 178.872 176.600 0.155 0.000 0.988 470 E CA 1.324 57.829 56.400 0.176 0.000 0.804 470 E CB -0.363 29.404 29.700 0.113 0.000 0.745 470 E HN 0.772 nan 8.360 nan 0.000 0.458 471 Q N 0.273 120.155 119.800 0.138 0.000 2.124 471 Q HA -0.225 4.155 4.340 0.066 0.000 0.202 471 Q C 2.216 178.302 176.000 0.143 0.000 0.977 471 Q CA 1.534 57.412 55.803 0.125 0.000 0.850 471 Q CB -0.114 28.681 28.738 0.096 0.000 0.901 471 Q HN 0.109 nan 8.270 nan 0.000 0.429 472 Q N 0.658 120.568 119.800 0.185 0.000 2.084 472 Q HA -0.172 4.208 4.340 0.066 0.000 0.202 472 Q C 1.800 177.912 176.000 0.188 0.000 0.978 472 Q CA 1.159 57.093 55.803 0.219 0.000 0.844 472 Q CB -0.248 28.681 28.738 0.319 0.000 0.898 472 Q HN 0.261 nan 8.270 nan 0.000 0.426 473 L N 0.759 122.067 121.223 0.142 0.000 2.042 473 L HA -0.161 4.219 4.340 0.066 0.000 0.210 473 L C 1.872 178.692 176.870 -0.084 0.000 1.076 473 L CA 2.369 57.131 54.840 -0.130 0.000 0.749 473 L CB -0.962 40.983 42.059 -0.190 0.000 0.893 473 L HN 0.397 nan 8.230 nan 0.000 0.432 474 D N -0.856 119.566 120.400 0.037 0.000 2.117 474 D HA -0.241 4.439 4.640 0.066 0.000 0.198 474 D C 2.265 178.617 176.300 0.087 0.000 0.982 474 D CA 1.268 55.329 54.000 0.102 0.000 0.828 474 D CB -0.035 40.896 40.800 0.219 0.000 0.967 474 D HN 0.256 nan 8.370 nan 0.000 0.464 475 K N -0.057 120.402 120.400 0.097 0.000 2.097 475 K HA -0.150 4.210 4.320 0.066 0.000 0.206 475 K C 0.802 177.438 176.600 0.060 0.000 1.049 475 K CA 1.569 57.909 56.287 0.087 0.000 0.933 475 K CB 0.016 32.577 32.500 0.101 0.000 0.717 475 K HN 0.074 nan 8.250 nan 0.000 0.442 476 D N 0.441 120.878 120.400 0.061 0.000 2.349 476 D HA 0.023 4.702 4.640 0.066 0.000 0.215 476 D C -0.250 176.048 176.300 -0.002 0.000 1.016 476 D CA 0.359 54.399 54.000 0.065 0.000 0.870 476 D CB 0.317 41.227 40.800 0.184 0.000 0.917 476 D HN 0.064 nan 8.370 nan 0.000 0.524 477 S N 0.039 115.708 115.700 -0.051 0.000 3.550 477 S HA -0.255 4.255 4.470 0.066 0.000 0.372 477 S C 1.423 175.949 174.600 -0.125 0.000 0.966 477 S CA 0.294 58.438 58.200 -0.093 0.000 1.229 477 S CB -1.145 61.996 63.200 -0.097 0.000 0.917 477 S HN 0.512 nan 8.310 nan 0.000 0.496 478 A N 0.411 123.083 122.820 -0.247 0.000 1.933 478 A HA 0.253 4.612 4.320 0.066 0.000 0.218 478 A C 1.006 178.435 177.584 -0.259 0.000 1.175 478 A CA 1.479 53.286 52.037 -0.384 0.000 0.628 478 A CB -0.385 18.026 19.000 -0.981 0.000 0.814 478 A HN 1.066 nan 8.150 nan 0.000 0.444 479 I N -5.553 114.884 120.570 -0.221 0.000 3.322 479 I HA 0.672 4.881 4.170 0.066 0.000 0.313 479 I C -1.058 175.080 176.117 0.035 0.000 1.129 479 I CA -1.250 60.008 61.300 -0.071 0.000 0.963 479 I CB 2.306 40.193 38.000 -0.189 0.000 1.273 479 I HN -0.252 nan 8.210 nan 0.000 0.473 480 V N 2.709 122.740 119.914 0.196 0.000 2.266 480 V HA 0.387 4.547 4.120 0.066 0.000 0.271 480 V C -2.367 173.898 176.094 0.285 0.000 1.032 480 V CA -1.535 60.915 62.300 0.250 0.000 0.806 480 V CB 0.492 32.564 31.823 0.415 0.000 1.052 480 V HN 0.600 nan 8.190 nan 0.000 0.449 481 P HA 0.115 nan 4.420 nan 0.000 0.265 481 P C 0.513 177.916 177.300 0.172 0.000 1.193 481 P CA 0.481 63.676 63.100 0.158 0.000 0.765 481 P CB 1.405 33.163 31.700 0.097 0.000 0.823 482 V N 2.507 122.468 119.914 0.078 0.000 3.001 482 V HA 0.200 4.360 4.120 0.066 0.000 0.228 482 V C -0.080 176.014 176.094 0.000 0.000 1.204 482 V CA 1.061 63.403 62.300 0.070 0.000 1.247 482 V CB -0.500 31.342 31.823 0.031 0.000 1.093 482 V HN 0.579 nan 8.190 nan 0.000 0.504 483 Y N -2.204 118.001 120.300 -0.157 0.000 2.624 483 Y HA 0.709 5.297 4.550 0.064 0.000 0.334 483 Y C -1.492 174.227 175.900 -0.302 0.000 1.155 483 Y CA -2.528 55.396 58.100 -0.294 0.000 1.046 483 Y CB 0.444 38.774 38.460 -0.217 0.000 1.316 483 Y HN 0.114 nan 8.280 nan 0.000 0.457 484 Y N 1.651 122.158 120.300 0.346 0.000 2.313 484 Y HA 0.428 5.018 4.550 0.066 0.000 0.332 484 Y C -0.396 175.810 175.900 0.511 0.000 1.071 484 Y CA -0.677 57.634 58.100 0.353 0.000 1.169 484 Y CB 0.572 39.234 38.460 0.337 0.000 1.192 484 Y HN 0.543 nan 8.280 nan 0.000 0.487 485 Y N 1.730 122.330 120.300 0.501 0.000 2.357 485 Y HA 0.340 4.930 4.550 0.067 0.000 0.340 485 Y C 0.453 176.577 175.900 0.374 0.000 1.260 485 Y CA -0.930 57.450 58.100 0.466 0.000 1.425 485 Y CB 0.515 39.198 38.460 0.373 0.000 1.326 485 Y HN 0.369 nan 8.280 nan 0.000 0.580 486 V N -0.202 119.987 119.914 0.458 0.000 2.769 486 V HA 0.497 4.657 4.120 0.066 0.000 0.312 486 V C -0.433 175.848 176.094 0.312 0.000 1.058 486 V CA -1.272 61.205 62.300 0.295 0.000 0.952 486 V CB 1.891 33.774 31.823 0.100 0.000 1.019 486 V HN 0.749 nan 8.190 nan 0.000 0.445 487 N N 2.589 121.345 118.700 0.094 0.000 2.602 487 N HA 0.509 5.288 4.740 0.066 0.000 0.238 487 N C -0.318 175.117 175.510 -0.126 0.000 1.084 487 N CA 0.140 53.046 53.050 -0.240 0.000 0.952 487 N CB 0.564 38.657 38.487 -0.657 0.000 1.244 487 N HN 1.157 nan 8.380 nan 0.000 0.512 488 A N 4.007 126.777 122.820 -0.084 0.000 2.271 488 A HA 0.770 5.130 4.320 0.066 0.000 0.317 488 A C -0.088 177.433 177.584 -0.105 0.000 1.245 488 A CA -0.656 51.344 52.037 -0.061 0.000 0.857 488 A CB 0.481 19.426 19.000 -0.091 0.000 1.175 488 A HN 0.811 nan 8.150 nan 0.000 0.512 489 R N 1.527 121.966 120.500 -0.102 0.000 2.716 489 R HA 0.723 5.102 4.340 0.066 0.000 0.271 489 R C -1.846 174.323 176.300 -0.219 0.000 1.028 489 R CA -0.962 55.028 56.100 -0.183 0.000 0.883 489 R CB 0.900 31.046 30.300 -0.256 0.000 1.250 489 R HN 0.406 nan 8.270 nan 0.000 0.465 490 L N 1.280 122.281 121.223 -0.371 0.000 2.309 490 L HA 0.725 5.105 4.340 0.066 0.000 0.282 490 L C -0.697 175.927 176.870 -0.409 0.000 1.036 490 L CA -1.363 53.156 54.840 -0.536 0.000 0.806 490 L CB 1.926 43.270 42.059 -1.192 0.000 1.220 490 L HN 0.339 nan 8.230 nan 0.000 0.429 491 V N 2.782 122.573 119.914 -0.206 0.000 2.569 491 V HA 0.298 4.458 4.120 0.066 0.000 0.301 491 V C -0.044 175.966 176.094 -0.139 0.000 1.044 491 V CA -1.111 61.104 62.300 -0.141 0.000 0.874 491 V CB 1.835 33.529 31.823 -0.216 0.000 1.002 491 V HN 0.612 nan 8.190 nan 0.000 0.424 492 K N 4.837 125.053 120.400 -0.307 0.000 2.440 492 K HA 0.132 4.492 4.320 0.066 0.000 0.270 492 K C -1.657 174.468 176.600 -0.792 0.000 0.980 492 K CA -1.348 54.413 56.287 -0.876 0.000 0.953 492 K CB 0.852 32.253 32.500 -1.831 0.000 0.925 492 K HN 0.287 nan 8.250 nan 0.000 0.497 493 P HA -0.117 nan 4.420 nan 0.000 0.222 493 P C 0.661 177.842 177.300 -0.198 0.000 1.147 493 P CA 1.177 64.086 63.100 -0.318 0.000 0.790 493 P CB -0.034 31.575 31.700 -0.151 0.000 0.780 494 W N -2.002 119.177 121.300 -0.203 0.000 3.256 494 W HA 0.295 4.995 4.660 0.067 0.000 0.269 494 W C -0.458 175.952 176.519 -0.182 0.000 1.310 494 W CA -0.173 57.047 57.345 -0.209 0.000 1.673 494 W CB -1.234 27.935 29.460 -0.484 0.000 1.115 494 W HN -0.387 nan 8.180 nan 0.000 0.686 495 V N 3.073 122.845 119.914 -0.237 0.000 2.389 495 V HA 0.610 4.769 4.120 0.066 0.000 0.264 495 V C 0.892 176.816 176.094 -0.284 0.000 1.049 495 V CA -0.279 61.897 62.300 -0.207 0.000 0.932 495 V CB 0.067 31.747 31.823 -0.239 0.000 1.011 495 V HN 0.201 nan 8.190 nan 0.000 0.475 496 G N 2.620 111.068 108.800 -0.587 0.000 2.434 496 G HA2 0.567 4.567 3.960 0.066 0.000 0.330 496 G HA3 0.567 4.567 3.960 0.066 0.000 0.330 496 G C 0.816 175.276 174.900 -0.733 0.000 1.155 496 G CA 0.072 44.642 45.100 -0.884 0.000 0.917 496 G HN 1.454 nan 8.290 nan 0.000 0.493 497 G N -1.283 107.365 108.800 -0.253 0.000 2.194 497 G HA2 -0.264 3.735 3.960 0.066 0.000 0.236 497 G HA3 -0.264 3.735 3.960 0.066 0.000 0.236 497 G C 0.221 175.169 174.900 0.079 0.000 0.987 497 G CA 0.619 45.738 45.100 0.031 0.000 0.635 497 G HN 1.152 nan 8.290 nan 0.000 0.520 498 Y N 2.809 123.062 120.300 -0.078 0.000 2.595 498 Y HA 0.447 5.055 4.550 0.097 0.000 0.347 498 Y C 1.830 177.702 175.900 -0.047 0.000 1.025 498 Y CA 0.570 58.633 58.100 -0.061 0.000 1.295 498 Y CB 0.912 39.314 38.460 -0.098 0.000 1.147 498 Y HN 0.239 nan 8.280 nan 0.000 0.515 499 T N 0.533 114.865 114.554 -0.370 0.000 3.014 499 T HA 0.115 4.504 4.350 0.066 0.000 0.263 499 T C 1.678 176.109 174.700 -0.450 0.000 1.078 499 T CA 0.748 62.672 62.100 -0.294 0.000 1.135 499 T CB -0.295 68.483 68.868 -0.151 0.000 0.895 499 T HN 1.142 nan 8.240 nan 0.000 0.480 500 G N 1.556 109.880 108.800 -0.793 0.000 2.168 500 G HA2 -0.309 3.690 3.960 0.066 0.000 0.263 500 G HA3 -0.309 3.690 3.960 0.066 0.000 0.263 500 G C 0.872 175.598 174.900 -0.291 0.000 0.977 500 G CA 0.628 45.361 45.100 -0.611 0.000 0.659 500 G HN 0.566 nan 8.290 nan 0.000 0.533 501 K N -0.123 120.141 120.400 -0.227 0.000 2.365 501 K HA 0.017 4.377 4.320 0.066 0.000 0.197 501 K C 0.596 177.134 176.600 -0.104 0.000 1.042 501 K CA 0.450 56.660 56.287 -0.128 0.000 0.987 501 K CB 0.138 32.581 32.500 -0.095 0.000 0.779 501 K HN 0.381 nan 8.250 nan 0.000 0.484 502 D N 1.799 122.130 120.400 -0.115 0.000 2.336 502 D HA 0.027 4.706 4.640 0.066 0.000 0.249 502 D C -1.603 174.695 176.300 -0.004 0.000 1.213 502 D CA -2.341 51.624 54.000 -0.058 0.000 0.870 502 D CB 1.363 42.141 40.800 -0.036 0.000 1.076 502 D HN -0.055 nan 8.370 nan 0.000 0.483 503 P HA -0.067 nan 4.420 nan 0.000 0.230 503 P C 1.203 178.629 177.300 0.210 0.000 1.158 503 P CA 0.562 63.745 63.100 0.138 0.000 0.769 503 P CB 0.373 32.157 31.700 0.139 0.000 0.807 504 L N -1.067 120.236 121.223 0.135 0.000 2.529 504 L HA 0.134 4.514 4.340 0.066 0.000 0.223 504 L C 0.590 177.555 176.870 0.158 0.000 1.113 504 L CA 0.217 55.139 54.840 0.137 0.000 0.861 504 L CB -1.041 41.064 42.059 0.076 0.000 1.012 504 L HN -0.017 nan 8.230 nan 0.000 0.461 505 D N 1.252 121.707 120.400 0.091 0.000 2.723 505 D HA -0.201 4.478 4.640 0.066 0.000 0.236 505 D C -0.003 176.310 176.300 0.022 0.000 1.138 505 D CA 0.312 54.325 54.000 0.021 0.000 0.676 505 D CB -0.896 39.855 40.800 -0.081 0.000 1.069 505 D HN 0.148 nan 8.370 nan 0.000 0.430 506 N N 1.215 119.931 118.700 0.025 0.000 3.050 506 N HA 0.083 4.862 4.740 0.066 0.000 0.289 506 N C 0.118 175.580 175.510 -0.080 0.000 1.209 506 N CA -0.118 52.907 53.050 -0.042 0.000 1.154 506 N CB 0.070 38.581 38.487 0.041 0.000 1.444 506 N HN 0.340 nan 8.380 nan 0.000 0.529 507 I N 1.634 122.152 120.570 -0.088 0.000 2.575 507 I HA 0.091 4.300 4.170 0.066 0.000 0.285 507 I C 0.143 176.145 176.117 -0.193 0.000 1.085 507 I CA -0.377 60.920 61.300 -0.006 0.000 1.403 507 I CB -0.227 37.810 38.000 0.061 0.000 1.409 507 I HN 0.185 nan 8.210 nan 0.000 0.557 508 Y N 3.817 124.166 120.300 0.082 0.000 2.331 508 Y HA 0.285 4.870 4.550 0.058 0.000 0.334 508 Y C 1.020 176.971 175.900 0.085 0.000 0.960 508 Y CA -0.673 57.474 58.100 0.078 0.000 1.130 508 Y CB 1.635 40.145 38.460 0.085 0.000 1.164 508 Y HN 0.245 nan 8.280 nan 0.000 0.458 509 V N 3.117 123.134 119.914 0.173 0.000 2.720 509 V HA -0.285 3.874 4.120 0.066 0.000 0.256 509 V C 2.094 178.338 176.094 0.250 0.000 1.082 509 V CA 2.126 64.478 62.300 0.085 0.000 1.101 509 V CB -0.501 31.199 31.823 -0.205 0.000 0.693 509 V HN 0.802 nan 8.190 nan 0.000 0.479 510 K N 0.301 120.928 120.400 0.379 0.000 2.360 510 K HA -0.160 4.199 4.320 0.066 0.000 0.201 510 K C 1.311 178.031 176.600 0.200 0.000 1.046 510 K CA 1.665 58.120 56.287 0.280 0.000 0.945 510 K CB -0.299 32.280 32.500 0.133 0.000 0.750 510 K HN 0.403 nan 8.250 nan 0.000 0.464 511 N N 0.674 119.501 118.700 0.212 0.000 2.353 511 N HA 0.140 4.920 4.740 0.066 0.000 0.185 511 N C 0.227 175.873 175.510 0.227 0.000 1.098 511 N CA 0.289 53.458 53.050 0.198 0.000 0.872 511 N CB 0.169 38.775 38.487 0.198 0.000 0.970 511 N HN 0.190 nan 8.380 nan 0.000 0.467 512 L N 0.253 121.594 121.223 0.197 0.000 2.400 512 L HA 0.454 4.834 4.340 0.066 0.000 0.264 512 L C -0.617 176.389 176.870 0.226 0.000 1.061 512 L CA -1.151 53.763 54.840 0.124 0.000 0.799 512 L CB 0.844 42.920 42.059 0.028 0.000 1.240 512 L HN 0.091 nan 8.230 nan 0.000 0.461 513 Y N -1.266 119.086 120.300 0.087 0.000 2.592 513 Y HA 0.624 5.201 4.550 0.046 0.000 0.334 513 Y C -1.232 174.733 175.900 0.109 0.000 1.136 513 Y CA -1.441 56.713 58.100 0.089 0.000 1.042 513 Y CB 0.969 39.476 38.460 0.079 0.000 1.325 513 Y HN 0.100 nan 8.280 nan 0.000 0.457 514 I N 4.036 124.762 120.570 0.259 0.000 2.339 514 I HA 0.359 4.569 4.170 0.066 0.000 0.290 514 I C -0.032 176.265 176.117 0.299 0.000 0.994 514 I CA -1.197 60.245 61.300 0.236 0.000 1.191 514 I CB 1.022 39.148 38.000 0.211 0.000 1.343 514 I HN 0.641 nan 8.210 nan 0.000 0.458 515 I N 5.182 125.942 120.570 0.317 0.000 2.519 515 I HA 0.130 4.339 4.170 0.066 0.000 0.287 515 I C 1.007 177.302 176.117 0.297 0.000 1.047 515 I CA -0.543 60.941 61.300 0.306 0.000 1.381 515 I CB 0.499 38.671 38.000 0.286 0.000 1.417 515 I HN 0.483 nan 8.210 nan 0.000 0.540 516 K N 6.246 126.754 120.400 0.181 0.000 2.511 516 K HA 0.005 4.365 4.320 0.066 0.000 0.280 516 K C -0.411 176.266 176.600 0.129 0.000 1.008 516 K CA 0.399 56.736 56.287 0.083 0.000 1.050 516 K CB 0.252 32.767 32.500 0.025 0.000 0.889 516 K HN 0.705 nan 8.250 nan 0.000 0.484 517 H N 0.000 119.002 119.070 -0.114 0.000 2.539 517 H HA 0.000 4.596 4.556 0.067 0.000 0.296 517 H CA 0.000 55.970 56.048 -0.129 0.000 1.023 517 H CB 0.000 29.669 29.762 -0.155 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496