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 1b40_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 0.000 177.606 177.584 0.036 0.000 1.274 1 A CA 0.000 52.100 52.037 0.104 0.000 0.836 1 A CB 0.000 19.114 19.000 0.190 0.000 0.831 2 D N 1.937 122.363 120.400 0.043 0.000 2.493 2 D HA 0.391 5.074 4.640 0.071 0.000 0.235 2 D C -0.192 176.046 176.300 -0.103 0.000 1.117 2 D CA 0.060 54.054 54.000 -0.011 0.000 0.930 2 D CB 1.371 42.188 40.800 0.029 0.000 1.010 2 D HN 0.285 nan 8.370 nan 0.000 0.514 3 V N 3.635 123.401 119.914 -0.246 0.000 2.479 3 V HA 0.108 4.270 4.120 0.071 0.000 0.281 3 V C -1.624 174.333 176.094 -0.228 0.000 1.031 3 V CA -1.101 60.912 62.300 -0.479 0.000 1.038 3 V CB 0.184 31.709 31.823 -0.497 0.000 0.981 3 V HN 0.292 nan 8.190 nan 0.000 0.478 4 P HA 0.191 nan 4.420 nan 0.000 0.267 4 P C -0.164 177.111 177.300 -0.042 0.000 1.200 4 P CA -0.138 62.936 63.100 -0.043 0.000 0.772 4 P CB 0.404 32.121 31.700 0.028 0.000 0.855 5 A N 2.525 125.335 122.820 -0.017 0.000 2.561 5 A HA 0.385 4.748 4.320 0.071 0.000 0.251 5 A C 1.576 179.159 177.584 -0.002 0.000 1.062 5 A CA 0.694 52.724 52.037 -0.012 0.000 0.761 5 A CB -1.434 17.565 19.000 -0.001 0.000 0.986 5 A HN 0.940 nan 8.150 nan 0.000 0.510 6 G N 0.916 109.713 108.800 -0.006 0.000 2.179 6 G HA2 -0.115 3.888 3.960 0.071 0.000 0.260 6 G HA3 -0.115 3.888 3.960 0.071 0.000 0.260 6 G C 0.637 175.547 174.900 0.016 0.000 0.977 6 G CA 0.687 45.790 45.100 0.005 0.000 0.641 6 G HN 2.397 nan 8.290 nan 0.000 0.533 7 V N -0.768 119.155 119.914 0.014 0.000 2.637 7 V HA 0.592 4.754 4.120 0.071 0.000 0.296 7 V C 0.332 176.449 176.094 0.039 0.000 1.046 7 V CA -0.262 62.067 62.300 0.048 0.000 1.066 7 V CB 1.126 33.004 31.823 0.092 0.000 0.968 7 V HN 0.411 nan 8.190 nan 0.000 0.483 8 Q N 4.718 124.553 119.800 0.060 0.000 2.256 8 Q HA 0.565 4.947 4.340 0.071 0.000 0.254 8 Q C -0.750 175.297 176.000 0.077 0.000 0.916 8 Q CA -0.420 55.413 55.803 0.048 0.000 0.932 8 Q CB 1.928 30.690 28.738 0.040 0.000 1.207 8 Q HN 0.778 nan 8.270 nan 0.000 0.426 9 L N 1.557 122.817 121.223 0.062 0.000 2.357 9 L HA 0.520 4.902 4.340 0.071 0.000 0.273 9 L C 0.395 177.303 176.870 0.064 0.000 1.080 9 L CA -0.752 54.142 54.840 0.091 0.000 0.803 9 L CB 0.981 43.081 42.059 0.069 0.000 1.174 9 L HN 0.662 nan 8.230 nan 0.000 0.443 10 A N 1.161 124.029 122.820 0.080 0.000 2.448 10 A HA 0.045 4.408 4.320 0.071 0.000 0.239 10 A C 0.578 178.164 177.584 0.002 0.000 1.080 10 A CA -0.172 51.874 52.037 0.016 0.000 0.779 10 A CB 0.142 19.153 19.000 0.018 0.000 1.026 10 A HN 0.865 nan 8.150 nan 0.000 0.499 11 D N -0.040 120.339 120.400 -0.035 0.000 2.097 11 D HA -0.026 4.657 4.640 0.071 0.000 0.197 11 D C 0.580 176.869 176.300 -0.018 0.000 0.984 11 D CA 1.386 55.368 54.000 -0.029 0.000 0.826 11 D CB 0.113 40.883 40.800 -0.050 0.000 0.973 11 D HN 0.456 nan 8.370 nan 0.000 0.460 12 K N 1.550 121.931 120.400 -0.032 0.000 2.267 12 K HA 0.113 4.476 4.320 0.071 0.000 0.282 12 K C -0.533 176.077 176.600 0.015 0.000 1.078 12 K CA -0.150 56.127 56.287 -0.017 0.000 0.903 12 K CB 0.649 33.121 32.500 -0.047 0.000 1.111 12 K HN 0.009 nan 8.250 nan 0.000 0.475 13 Q N 3.086 122.907 119.800 0.035 0.000 2.901 13 Q HA 0.106 4.488 4.340 0.071 0.000 0.265 13 Q C -0.365 175.669 176.000 0.056 0.000 1.263 13 Q CA -0.140 55.702 55.803 0.064 0.000 1.088 13 Q CB 0.826 29.613 28.738 0.082 0.000 1.339 13 Q HN 0.616 nan 8.270 nan 0.000 0.546 14 T N -1.698 112.880 114.554 0.039 0.000 2.887 14 T HA 0.762 5.155 4.350 0.071 0.000 0.288 14 T C -0.557 174.144 174.700 0.001 0.000 1.021 14 T CA -0.901 61.207 62.100 0.013 0.000 1.000 14 T CB 1.960 70.827 68.868 -0.001 0.000 1.034 14 T HN 0.229 nan 8.240 nan 0.000 0.467 15 L N 1.963 123.153 121.223 -0.055 0.000 2.431 15 L HA 0.789 5.172 4.340 0.071 0.000 0.266 15 L C -1.516 175.260 176.870 -0.157 0.000 0.978 15 L CA -0.703 54.083 54.840 -0.090 0.000 0.822 15 L CB 2.276 44.260 42.059 -0.124 0.000 1.310 15 L HN 0.698 nan 8.230 nan 0.000 0.409 16 V N 5.262 125.096 119.914 -0.135 0.000 2.407 16 V HA 0.616 4.778 4.120 0.071 0.000 0.291 16 V C -0.297 175.688 176.094 -0.183 0.000 1.018 16 V CA -0.534 61.671 62.300 -0.158 0.000 0.842 16 V CB 1.562 33.337 31.823 -0.080 0.000 0.996 16 V HN 0.708 nan 8.190 nan 0.000 0.426 17 R N 3.006 123.333 120.500 -0.289 0.000 2.599 17 R HA 0.447 4.830 4.340 0.071 0.000 0.295 17 R C -0.603 175.625 176.300 -0.119 0.000 0.963 17 R CA -0.860 55.093 56.100 -0.245 0.000 0.883 17 R CB 1.926 31.966 30.300 -0.433 0.000 1.171 17 R HN 0.676 nan 8.270 nan 0.000 0.450 18 N N 0.752 119.439 118.700 -0.022 0.000 2.530 18 N HA 0.015 4.798 4.740 0.071 0.000 0.277 18 N C -0.063 175.502 175.510 0.092 0.000 1.168 18 N CA 0.065 53.129 53.050 0.023 0.000 0.979 18 N CB 0.767 39.274 38.487 0.034 0.000 1.141 18 N HN 0.491 nan 8.380 nan 0.000 0.459 19 N N 0.974 119.674 118.700 -0.000 0.000 2.299 19 N HA 0.233 5.015 4.740 0.071 0.000 0.246 19 N C 0.671 175.794 175.510 -0.646 0.000 1.254 19 N CA 0.520 53.518 53.050 -0.086 0.000 0.879 19 N CB 0.114 38.617 38.487 0.028 0.000 1.214 19 N HN 0.746 nan 8.380 nan 0.000 0.510 20 G N -0.087 108.215 108.800 -0.831 0.000 2.609 20 G HA2 -0.324 3.678 3.960 0.071 0.000 0.235 20 G HA3 -0.324 3.678 3.960 0.071 0.000 0.235 20 G C 0.140 174.688 174.900 -0.586 0.000 1.177 20 G CA 0.862 45.296 45.100 -1.110 0.000 0.707 20 G HN 1.139 nan 8.290 nan 0.000 0.513 21 S N -1.356 114.078 115.700 -0.444 0.000 2.663 21 S HA 0.514 5.027 4.470 0.071 0.000 0.264 21 S C -1.089 173.451 174.600 -0.101 0.000 1.112 21 S CA 0.131 58.195 58.200 -0.226 0.000 0.823 21 S CB 1.855 64.921 63.200 -0.224 0.000 1.111 21 S HN 1.069 nan 8.310 nan 0.000 0.476 22 E N 1.730 121.948 120.200 0.031 0.000 2.299 22 E HA 0.406 4.799 4.350 0.071 0.000 0.272 22 E C 0.318 177.019 176.600 0.169 0.000 1.043 22 E CA -0.471 55.995 56.400 0.110 0.000 0.895 22 E CB 0.584 30.372 29.700 0.147 0.000 1.011 22 E HN 0.905 nan 8.360 nan 0.000 0.432 23 V N 2.759 122.744 119.914 0.118 0.000 2.872 23 V HA -0.051 4.111 4.120 0.071 0.000 0.307 23 V C 1.027 177.240 176.094 0.199 0.000 1.072 23 V CA 0.088 62.458 62.300 0.117 0.000 1.148 23 V CB 0.927 32.709 31.823 -0.068 0.000 0.954 23 V HN 0.853 nan 8.190 nan 0.000 0.490 24 Q N 2.248 122.165 119.800 0.195 0.000 2.124 24 Q HA 0.059 4.442 4.340 0.071 0.000 0.202 24 Q C 1.067 177.161 176.000 0.155 0.000 0.977 24 Q CA 1.675 57.567 55.803 0.148 0.000 0.850 24 Q CB 0.112 28.905 28.738 0.091 0.000 0.901 24 Q HN 1.009 nan 8.270 nan 0.000 0.429 25 S N -2.463 113.310 115.700 0.122 0.000 2.627 25 S HA 0.273 4.786 4.470 0.071 0.000 0.268 25 S C -0.903 173.662 174.600 -0.058 0.000 1.130 25 S CA -0.798 57.472 58.200 0.116 0.000 0.819 25 S CB 0.140 63.392 63.200 0.087 0.000 1.100 25 S HN 0.155 nan 8.310 nan 0.000 0.465 26 L N 1.079 122.225 121.223 -0.128 0.000 2.664 26 L HA 0.368 4.750 4.340 0.071 0.000 0.233 26 L C 0.230 177.008 176.870 -0.153 0.000 1.113 26 L CA -0.037 54.669 54.840 -0.225 0.000 0.896 26 L CB 0.166 41.998 42.059 -0.380 0.000 1.163 26 L HN 0.613 nan 8.230 nan 0.000 0.497 27 D N 1.718 122.025 120.400 -0.155 0.000 2.346 27 D HA 0.068 4.751 4.640 0.071 0.000 0.260 27 D C -1.651 174.624 176.300 -0.043 0.000 1.252 27 D CA -1.751 52.236 54.000 -0.022 0.000 0.895 27 D CB 1.764 42.660 40.800 0.160 0.000 1.097 27 D HN -0.094 nan 8.370 nan 0.000 0.489 28 P HA -0.135 nan 4.420 nan 0.000 0.218 28 P C 0.439 177.680 177.300 -0.097 0.000 1.146 28 P CA 1.319 64.272 63.100 -0.244 0.000 0.813 28 P CB 0.077 31.498 31.700 -0.465 0.000 0.778 29 H N -1.832 117.231 119.070 -0.011 0.000 2.548 29 H HA 0.143 4.742 4.556 0.071 0.000 0.265 29 H C 1.049 176.400 175.328 0.038 0.000 0.969 29 H CA 0.161 56.213 56.048 0.006 0.000 1.155 29 H CB 0.340 30.108 29.762 0.010 0.000 1.394 29 H HN -0.045 nan 8.280 nan 0.000 0.570 30 K N 1.119 121.610 120.400 0.152 0.000 2.399 30 K HA 0.204 4.567 4.320 0.071 0.000 0.204 30 K C 0.216 176.871 176.600 0.091 0.000 1.023 30 K CA 0.060 56.414 56.287 0.113 0.000 1.127 30 K CB 0.675 33.240 32.500 0.108 0.000 0.856 30 K HN 0.418 nan 8.250 nan 0.000 0.514 31 I N -1.910 118.718 120.570 0.096 0.000 2.957 31 I HA 0.355 4.568 4.170 0.071 0.000 0.310 31 I C 0.329 176.575 176.117 0.215 0.000 1.063 31 I CA -0.703 60.659 61.300 0.103 0.000 1.033 31 I CB 2.043 40.060 38.000 0.027 0.000 1.230 31 I HN -0.012 nan 8.210 nan 0.000 0.447 32 E N 2.040 122.382 120.200 0.237 0.000 2.703 32 E HA 0.317 4.710 4.350 0.071 0.000 0.214 32 E C 0.183 176.980 176.600 0.328 0.000 0.944 32 E CA -0.427 56.234 56.400 0.434 0.000 1.299 32 E CB 0.846 30.739 29.700 0.321 0.000 1.189 32 E HN 0.841 nan 8.360 nan 0.000 0.597 33 G N 0.523 109.482 108.800 0.265 0.000 2.597 33 G HA2 0.393 4.395 3.960 0.071 0.000 0.317 33 G HA3 0.393 4.395 3.960 0.071 0.000 0.317 33 G C 0.806 175.812 174.900 0.176 0.000 1.230 33 G CA -0.515 44.801 45.100 0.360 0.000 0.996 33 G HN -0.049 nan 8.290 nan 0.000 0.490 34 V N 1.089 121.095 119.914 0.154 0.000 2.295 34 V HA -0.082 4.081 4.120 0.071 0.000 0.246 34 V C -0.181 175.919 176.094 0.010 0.000 1.049 34 V CA 2.154 64.476 62.300 0.037 0.000 1.024 34 V CB -0.888 30.967 31.823 0.053 0.000 0.648 34 V HN 0.526 nan 8.190 nan 0.000 0.447 35 P HA -0.102 nan 4.420 nan 0.000 0.216 35 P C 1.455 178.677 177.300 -0.129 0.000 1.153 35 P CA 1.183 64.201 63.100 -0.137 0.000 0.848 35 P CB 0.042 31.549 31.700 -0.322 0.000 0.787 36 E N -0.518 119.668 120.200 -0.023 0.000 2.051 36 E HA -0.119 4.273 4.350 0.071 0.000 0.192 36 E C 2.124 178.629 176.600 -0.157 0.000 0.991 36 E CA 1.557 57.916 56.400 -0.068 0.000 0.799 36 E CB -1.105 28.613 29.700 0.029 0.000 0.748 36 E HN 0.135 nan 8.360 nan 0.000 0.449 37 S N 0.839 116.448 115.700 -0.151 0.000 2.423 37 S HA -0.090 4.423 4.470 0.071 0.000 0.231 37 S C 1.550 176.003 174.600 -0.246 0.000 1.014 37 S CA 0.682 58.751 58.200 -0.219 0.000 0.965 37 S CB -0.267 62.794 63.200 -0.231 0.000 0.785 37 S HN 0.236 nan 8.310 nan 0.000 0.495 38 N N 1.620 120.173 118.700 -0.244 0.000 2.043 38 N HA -0.074 4.709 4.740 0.071 0.000 0.193 38 N C 1.746 176.956 175.510 -0.501 0.000 1.037 38 N CA 1.194 54.065 53.050 -0.299 0.000 0.851 38 N CB -0.758 37.593 38.487 -0.227 0.000 1.027 38 N HN 0.229 nan 8.380 nan 0.000 0.422 39 V N 0.337 119.851 119.914 -0.666 0.000 2.453 39 V HA -0.116 4.047 4.120 0.071 0.000 0.247 39 V C 2.466 178.336 176.094 -0.373 0.000 1.048 39 V CA 1.426 63.290 62.300 -0.726 0.000 1.049 39 V CB -0.656 30.752 31.823 -0.692 0.000 0.672 39 V HN 0.300 nan 8.190 nan 0.000 0.457 40 S N -0.465 115.084 115.700 -0.252 0.000 2.383 40 S HA -0.223 4.289 4.470 0.071 0.000 0.229 40 S C 2.188 176.753 174.600 -0.058 0.000 1.030 40 S CA 1.551 59.705 58.200 -0.077 0.000 1.002 40 S CB -0.270 62.881 63.200 -0.081 0.000 0.829 40 S HN 0.523 nan 8.310 nan 0.000 0.467 41 R N 0.454 120.855 120.500 -0.165 0.000 2.127 41 R HA -0.070 4.313 4.340 0.071 0.000 0.238 41 R C 1.570 177.840 176.300 -0.051 0.000 1.134 41 R CA 1.597 57.593 56.100 -0.174 0.000 0.975 41 R CB -0.270 29.718 30.300 -0.521 0.000 0.865 41 R HN 0.427 nan 8.270 nan 0.000 0.447 42 D N -0.022 120.330 120.400 -0.079 0.000 2.234 42 D HA -0.042 4.641 4.640 0.071 0.000 0.205 42 D C 1.778 178.068 176.300 -0.017 0.000 0.962 42 D CA 0.889 54.913 54.000 0.040 0.000 0.855 42 D CB 0.236 41.035 40.800 -0.002 0.000 0.951 42 D HN 0.224 nan 8.370 nan 0.000 0.500 43 L N -1.286 119.837 121.223 -0.167 0.000 2.286 43 L HA 0.136 4.519 4.340 0.071 0.000 0.203 43 L C 0.026 176.554 176.870 -0.570 0.000 1.068 43 L CA 0.374 54.960 54.840 -0.423 0.000 0.811 43 L CB 0.255 41.883 42.059 -0.719 0.000 0.989 43 L HN -0.170 nan 8.230 nan 0.000 0.467 44 F N 0.119 120.089 119.950 0.034 0.000 2.477 44 F HA 0.390 4.959 4.527 0.070 0.000 0.335 44 F C 0.054 175.887 175.800 0.054 0.000 1.130 44 F CA -0.926 57.103 58.000 0.048 0.000 0.948 44 F CB 1.403 40.440 39.000 0.063 0.000 1.154 44 F HN -0.164 nan 8.300 nan 0.000 0.439 45 E N 2.120 122.451 120.200 0.219 0.000 2.158 45 E HA 0.616 5.009 4.350 0.071 0.000 0.271 45 E C 0.032 176.797 176.600 0.276 0.000 0.911 45 E CA -0.552 55.996 56.400 0.248 0.000 0.767 45 E CB 1.463 31.342 29.700 0.298 0.000 1.120 45 E HN 0.807 nan 8.360 nan 0.000 0.405 46 G N 2.989 111.967 108.800 0.297 0.000 2.509 46 G HA2 0.126 4.129 3.960 0.071 0.000 0.269 46 G HA3 0.126 4.129 3.960 0.071 0.000 0.269 46 G C 0.925 175.967 174.900 0.237 0.000 1.416 46 G CA -0.491 44.843 45.100 0.390 0.000 1.052 46 G HN 0.612 nan 8.290 nan 0.000 0.542 47 L N -1.363 119.835 121.223 -0.042 0.000 2.012 47 L HA 0.002 4.384 4.340 0.071 0.000 0.210 47 L C 0.540 177.332 176.870 -0.129 0.000 1.073 47 L CA 0.883 55.538 54.840 -0.308 0.000 0.748 47 L CB -0.533 41.125 42.059 -0.668 0.000 0.891 47 L HN 0.109 nan 8.230 nan 0.000 0.431 48 L N -1.182 119.983 121.223 -0.097 0.000 2.323 48 L HA 0.552 4.935 4.340 0.071 0.000 0.265 48 L C -0.327 176.603 176.870 0.100 0.000 1.012 48 L CA -0.402 54.422 54.840 -0.026 0.000 0.820 48 L CB 2.022 44.004 42.059 -0.128 0.000 1.334 48 L HN -0.025 nan 8.230 nan 0.000 0.427 49 I N -2.877 117.780 120.570 0.146 0.000 3.042 49 I HA 0.708 4.921 4.170 0.071 0.000 0.310 49 I C -0.605 175.609 176.117 0.161 0.000 1.117 49 I CA -0.732 60.663 61.300 0.157 0.000 1.003 49 I CB 2.320 40.302 38.000 -0.030 0.000 1.228 49 I HN 0.397 nan 8.210 nan 0.000 0.443 50 S N 2.254 118.095 115.700 0.233 0.000 2.565 50 S HA 0.234 4.747 4.470 0.071 0.000 0.274 50 S C -0.415 174.259 174.600 0.123 0.000 1.309 50 S CA -0.716 57.615 58.200 0.217 0.000 1.043 50 S CB 0.737 64.091 63.200 0.256 0.000 0.939 50 S HN 0.785 nan 8.310 nan 0.000 0.504 51 D N 0.967 121.444 120.400 0.127 0.000 2.398 51 D HA 0.015 4.697 4.640 0.071 0.000 0.264 51 D C 1.694 178.046 176.300 0.087 0.000 1.263 51 D CA -0.619 53.438 54.000 0.094 0.000 1.037 51 D CB -0.337 40.572 40.800 0.182 0.000 1.101 51 D HN 0.304 nan 8.370 nan 0.000 0.551 52 V N -3.128 116.838 119.914 0.086 0.000 2.982 52 V HA -0.129 4.033 4.120 0.071 0.000 0.265 52 V C 1.133 177.230 176.094 0.005 0.000 1.122 52 V CA 1.624 63.969 62.300 0.074 0.000 1.143 52 V CB -1.229 30.642 31.823 0.080 0.000 0.726 52 V HN 0.540 nan 8.190 nan 0.000 0.507 53 E N 0.162 120.331 120.200 -0.051 0.000 2.603 53 E HA 0.437 4.830 4.350 0.071 0.000 0.211 53 E C 1.492 177.914 176.600 -0.297 0.000 0.995 53 E CA 0.381 56.678 56.400 -0.172 0.000 0.990 53 E CB 0.768 30.367 29.700 -0.167 0.000 1.036 53 E HN 0.717 nan 8.360 nan 0.000 0.475 54 G N 1.538 110.241 108.800 -0.162 0.000 2.176 54 G HA2 -0.267 3.736 3.960 0.071 0.000 0.253 54 G HA3 -0.267 3.736 3.960 0.071 0.000 0.253 54 G C -0.119 174.726 174.900 -0.092 0.000 0.979 54 G CA 0.030 45.068 45.100 -0.103 0.000 0.641 54 G HN 0.442 nan 8.290 nan 0.000 0.530 55 H N 1.569 120.726 119.070 0.146 0.000 2.683 55 H HA 0.447 5.024 4.556 0.034 0.000 0.339 55 H C -2.215 173.243 175.328 0.217 0.000 1.081 55 H CA -1.444 54.712 56.048 0.179 0.000 1.432 55 H CB 0.659 30.529 29.762 0.178 0.000 1.462 55 H HN 0.120 nan 8.280 nan 0.000 0.557 56 P HA 0.001 nan 4.420 nan 0.000 0.261 56 P C -0.687 176.874 177.300 0.436 0.000 1.183 56 P CA 0.557 63.885 63.100 0.380 0.000 0.761 56 P CB 0.766 32.746 31.700 0.466 0.000 0.785 57 S N 3.872 119.800 115.700 0.380 0.000 2.638 57 S HA 0.558 5.070 4.470 0.071 0.000 0.274 57 S C -2.860 171.991 174.600 0.419 0.000 1.157 57 S CA -1.512 56.936 58.200 0.414 0.000 0.826 57 S CB 1.220 64.593 63.200 0.289 0.000 1.139 57 S HN 0.180 nan 8.310 nan 0.000 0.474 58 P HA 0.230 nan 4.420 nan 0.000 0.263 58 P C 0.013 177.508 177.300 0.326 0.000 1.195 58 P CA 0.380 63.743 63.100 0.439 0.000 0.762 58 P CB 0.353 32.255 31.700 0.336 0.000 0.799 59 G N 1.628 110.573 108.800 0.243 0.000 3.110 59 G HA2 0.105 4.107 3.960 0.071 0.000 0.207 59 G HA3 0.105 4.107 3.960 0.071 0.000 0.207 59 G C 1.037 176.031 174.900 0.156 0.000 1.841 59 G CA -0.216 45.055 45.100 0.286 0.000 0.751 59 G HN 0.257 nan 8.290 nan 0.000 0.771 60 V N 1.897 121.877 119.914 0.110 0.000 2.515 60 V HA 0.161 4.323 4.120 0.071 0.000 0.250 60 V C 1.868 177.901 176.094 -0.101 0.000 1.058 60 V CA 1.379 63.663 62.300 -0.027 0.000 1.064 60 V CB -0.737 31.159 31.823 0.122 0.000 0.675 60 V HN 0.595 nan 8.190 nan 0.000 0.461 61 A N 0.921 123.730 122.820 -0.018 0.000 2.354 61 A HA 0.262 4.624 4.320 0.071 0.000 0.281 61 A C 1.272 178.994 177.584 0.231 0.000 1.174 61 A CA -0.069 52.052 52.037 0.139 0.000 0.828 61 A CB 0.073 19.224 19.000 0.252 0.000 1.099 61 A HN 0.656 nan 8.150 nan 0.000 0.516 62 E N 2.888 123.173 120.200 0.141 0.000 2.318 62 E HA 0.027 4.419 4.350 0.071 0.000 0.193 62 E C 0.230 176.927 176.600 0.161 0.000 0.998 62 E CA 0.597 57.043 56.400 0.077 0.000 0.859 62 E CB -0.000 29.650 29.700 -0.083 0.000 0.812 62 E HN 0.616 nan 8.360 nan 0.000 0.492 63 K N -0.030 120.536 120.400 0.275 0.000 2.587 63 K HA 0.346 4.708 4.320 0.071 0.000 0.276 63 K C -1.904 174.916 176.600 0.366 0.000 0.956 63 K CA -0.810 55.509 56.287 0.053 0.000 0.857 63 K CB 0.915 33.352 32.500 -0.105 0.000 1.431 63 K HN 0.181 nan 8.250 nan 0.000 0.420 64 W N 0.290 121.663 121.300 0.123 0.000 3.075 64 W HA 0.726 5.424 4.660 0.063 0.000 0.334 64 W C -1.266 175.206 176.519 -0.077 0.000 1.243 64 W CA -0.652 56.676 57.345 -0.027 0.000 1.170 64 W CB 1.049 30.410 29.460 -0.165 0.000 1.452 64 W HN 0.588 nan 8.180 nan 0.000 0.572 65 E N 0.943 121.149 120.200 0.011 0.000 2.446 65 E HA 0.482 4.875 4.350 0.071 0.000 0.276 65 E C -1.358 175.049 176.600 -0.322 0.000 0.969 65 E CA -1.166 55.156 56.400 -0.130 0.000 0.800 65 E CB 1.964 31.578 29.700 -0.143 0.000 1.341 65 E HN 0.536 nan 8.360 nan 0.000 0.460 66 N N -0.880 117.500 118.700 -0.534 0.000 2.284 66 N HA 0.409 5.191 4.740 0.071 0.000 0.289 66 N C -1.538 173.587 175.510 -0.641 0.000 1.179 66 N CA -1.082 51.398 53.050 -0.951 0.000 0.774 66 N CB 1.846 39.220 38.487 -1.855 0.000 1.548 66 N HN 0.309 nan 8.380 nan 0.000 0.473 67 K N 1.403 121.450 120.400 -0.588 0.000 2.507 67 K HA 0.275 4.637 4.320 0.071 0.000 0.253 67 K C -1.030 175.323 176.600 -0.412 0.000 0.969 67 K CA -0.376 55.663 56.287 -0.412 0.000 0.908 67 K CB 0.317 32.651 32.500 -0.276 0.000 1.127 67 K HN 0.641 nan 8.250 nan 0.000 0.437 68 D N 3.794 123.898 120.400 -0.493 0.000 3.012 68 D HA -0.218 4.465 4.640 0.071 0.000 0.222 68 D C -0.500 175.612 176.300 -0.312 0.000 1.167 68 D CA 1.444 55.187 54.000 -0.428 0.000 0.854 68 D CB -1.368 39.314 40.800 -0.197 0.000 1.107 68 D HN 0.783 nan 8.370 nan 0.000 0.421 69 F N -2.257 117.571 119.950 -0.204 0.000 3.057 69 F HA -0.311 4.258 4.527 0.070 0.000 0.287 69 F C 1.548 177.442 175.800 0.157 0.000 0.834 69 F CA 1.381 59.376 58.000 -0.008 0.000 1.147 69 F CB -2.212 36.902 39.000 0.189 0.000 1.245 69 F HN 0.217 nan 8.300 nan 0.000 0.509 70 K N -1.243 119.176 120.400 0.032 0.000 2.504 70 K HA 0.426 4.789 4.320 0.071 0.000 0.203 70 K C 0.017 176.650 176.600 0.056 0.000 1.350 70 K CA 0.500 56.842 56.287 0.092 0.000 0.953 70 K CB 1.387 33.899 32.500 0.019 0.000 1.243 70 K HN -0.015 nan 8.250 nan 0.000 0.534 71 V N 1.732 121.566 119.914 -0.134 0.000 2.407 71 V HA 0.296 4.459 4.120 0.071 0.000 0.291 71 V C -1.618 174.326 176.094 -0.248 0.000 1.018 71 V CA -0.686 61.557 62.300 -0.095 0.000 0.842 71 V CB 0.907 32.659 31.823 -0.118 0.000 0.996 71 V HN 0.168 nan 8.190 nan 0.000 0.426 72 W N 2.621 123.856 121.300 -0.108 0.000 2.475 72 W HA 0.654 5.355 4.660 0.069 0.000 0.317 72 W C 0.180 176.519 176.519 -0.300 0.000 1.046 72 W CA -0.419 56.835 57.345 -0.152 0.000 1.215 72 W CB 1.989 31.516 29.460 0.113 0.000 1.335 72 W HN 0.378 nan 8.180 nan 0.000 0.471 73 T N 4.096 118.464 114.554 -0.311 0.000 2.770 73 T HA 0.503 4.896 4.350 0.071 0.000 0.283 73 T C -1.072 173.301 174.700 -0.545 0.000 0.988 73 T CA -0.530 61.376 62.100 -0.325 0.000 0.957 73 T CB 0.440 69.153 68.868 -0.259 0.000 0.930 73 T HN -0.026 nan 8.240 nan 0.000 0.443 74 F N 2.850 122.745 119.950 -0.091 0.000 2.411 74 F HA 0.315 4.883 4.527 0.069 0.000 0.352 74 F C 0.937 176.629 175.800 -0.179 0.000 1.123 74 F CA -0.982 57.016 58.000 -0.004 0.000 1.044 74 F CB 0.979 40.034 39.000 0.092 0.000 1.135 74 F HN 0.509 nan 8.300 nan 0.000 0.461 75 H N 5.451 124.690 119.070 0.283 0.000 2.761 75 H HA 0.286 4.884 4.556 0.070 0.000 0.284 75 H C -0.112 175.297 175.328 0.135 0.000 1.105 75 H CA -0.331 55.817 56.048 0.167 0.000 1.352 75 H CB 0.782 30.598 29.762 0.090 0.000 1.423 75 H HN 0.451 nan 8.280 nan 0.000 0.464 76 L N 4.399 125.731 121.223 0.182 0.000 2.360 76 L HA 0.196 4.579 4.340 0.071 0.000 0.276 76 L C 1.278 178.113 176.870 -0.058 0.000 1.121 76 L CA -0.511 54.371 54.840 0.069 0.000 0.845 76 L CB 0.500 42.621 42.059 0.102 0.000 1.143 76 L HN 0.483 nan 8.230 nan 0.000 0.452 77 R N 2.075 122.466 120.500 -0.181 0.000 2.640 77 R HA -0.029 4.353 4.340 0.071 0.000 0.270 77 R C 0.244 176.343 176.300 -0.334 0.000 1.024 77 R CA -0.112 55.813 56.100 -0.292 0.000 1.085 77 R CB 0.690 30.694 30.300 -0.494 0.000 0.963 77 R HN 0.652 nan 8.270 nan 0.000 0.426 78 E N 1.033 121.015 120.200 -0.362 0.000 2.208 78 E HA -0.163 4.229 4.350 0.071 0.000 0.193 78 E C 0.838 177.304 176.600 -0.222 0.000 0.988 78 E CA 1.390 57.525 56.400 -0.442 0.000 0.828 78 E CB 0.084 29.590 29.700 -0.323 0.000 0.763 78 E HN 0.786 nan 8.360 nan 0.000 0.478 79 N N 0.410 119.019 118.700 -0.153 0.000 2.322 79 N HA 0.038 4.821 4.740 0.071 0.000 0.194 79 N C -0.267 175.235 175.510 -0.012 0.000 1.126 79 N CA 0.161 53.182 53.050 -0.048 0.000 0.845 79 N CB 0.071 38.553 38.487 -0.008 0.000 0.976 79 N HN -0.072 nan 8.380 nan 0.000 0.475 80 A N 0.868 123.637 122.820 -0.084 0.000 2.522 80 A HA 0.264 4.627 4.320 0.071 0.000 0.256 80 A C 0.123 177.728 177.584 0.035 0.000 1.086 80 A CA 0.089 52.106 52.037 -0.033 0.000 0.763 80 A CB 0.063 18.992 19.000 -0.118 0.000 1.024 80 A HN 0.366 nan 8.150 nan 0.000 0.502 81 K N 1.460 121.908 120.400 0.080 0.000 2.444 81 K HA 0.470 4.833 4.320 0.071 0.000 0.252 81 K C -1.276 175.373 176.600 0.081 0.000 0.993 81 K CA -0.557 55.793 56.287 0.104 0.000 0.847 81 K CB 1.604 34.193 32.500 0.149 0.000 1.340 81 K HN 0.732 nan 8.250 nan 0.000 0.446 82 W N 0.272 121.659 121.300 0.144 0.000 2.298 82 W HA 0.083 4.788 4.660 0.075 0.000 0.358 82 W C 1.705 178.291 176.519 0.112 0.000 1.241 82 W CA -0.200 57.227 57.345 0.135 0.000 1.385 82 W CB 0.954 30.486 29.460 0.120 0.000 1.225 82 W HN 0.754 nan 8.180 nan 0.000 0.654 83 S N -0.589 115.344 115.700 0.388 0.000 2.442 83 S HA -0.244 4.269 4.470 0.071 0.000 0.236 83 S C 0.970 175.684 174.600 0.190 0.000 1.007 83 S CA 1.630 59.968 58.200 0.230 0.000 0.965 83 S CB -0.527 62.781 63.200 0.180 0.000 0.773 83 S HN 0.609 nan 8.310 nan 0.000 0.504 84 D N 0.146 120.671 120.400 0.208 0.000 2.340 84 D HA 0.285 4.968 4.640 0.071 0.000 0.220 84 D C 1.441 177.828 176.300 0.144 0.000 1.039 84 D CA 0.572 54.656 54.000 0.141 0.000 0.866 84 D CB -0.674 40.185 40.800 0.098 0.000 0.913 84 D HN 0.567 nan 8.370 nan 0.000 0.523 85 G N 0.072 108.983 108.800 0.185 0.000 2.176 85 G HA2 -0.266 3.737 3.960 0.071 0.000 0.253 85 G HA3 -0.266 3.737 3.960 0.071 0.000 0.253 85 G C 0.486 175.496 174.900 0.183 0.000 0.979 85 G CA 0.469 45.667 45.100 0.163 0.000 0.641 85 G HN 0.799 nan 8.290 nan 0.000 0.530 86 T N -0.233 114.458 114.554 0.230 0.000 2.909 86 T HA 0.627 5.019 4.350 0.071 0.000 0.289 86 T C -2.256 172.655 174.700 0.352 0.000 1.005 86 T CA -1.564 60.677 62.100 0.234 0.000 1.084 86 T CB 2.275 71.246 68.868 0.171 0.000 0.975 86 T HN 0.060 nan 8.240 nan 0.000 0.509 87 P HA 0.218 nan 4.420 nan 0.000 0.269 87 P C -0.582 176.921 177.300 0.339 0.000 1.209 87 P CA -0.515 62.748 63.100 0.271 0.000 0.776 87 P CB 0.383 32.227 31.700 0.241 0.000 0.876 88 V N 2.979 122.989 119.914 0.159 0.000 2.461 88 V HA 0.388 4.551 4.120 0.071 0.000 0.275 88 V C 0.846 177.063 176.094 0.205 0.000 1.047 88 V CA 0.227 62.566 62.300 0.066 0.000 0.955 88 V CB 0.700 32.397 31.823 -0.209 0.000 0.988 88 V HN 0.764 nan 8.190 nan 0.000 0.471 89 T N 1.704 116.408 114.554 0.249 0.000 2.888 89 T HA 0.672 5.064 4.350 0.071 0.000 0.288 89 T C 1.057 175.858 174.700 0.170 0.000 1.063 89 T CA -0.051 62.174 62.100 0.207 0.000 1.010 89 T CB 1.945 70.923 68.868 0.184 0.000 1.214 89 T HN 0.609 nan 8.240 nan 0.000 0.533 90 A N 0.048 122.881 122.820 0.023 0.000 2.024 90 A HA -0.098 4.264 4.320 0.071 0.000 0.220 90 A C 2.088 179.664 177.584 -0.014 0.000 1.164 90 A CA 1.453 53.491 52.037 0.002 0.000 0.643 90 A CB -1.346 17.634 19.000 -0.033 0.000 0.806 90 A HN 0.943 nan 8.150 nan 0.000 0.451 91 H N 0.302 119.466 119.070 0.157 0.000 2.421 91 H HA -0.108 4.491 4.556 0.072 0.000 0.298 91 H C 1.401 176.810 175.328 0.135 0.000 1.087 91 H CA 1.449 57.580 56.048 0.138 0.000 1.330 91 H CB -0.291 29.528 29.762 0.094 0.000 1.388 91 H HN 0.493 nan 8.280 nan 0.000 0.526 92 D N 0.455 120.975 120.400 0.201 0.000 2.084 92 D HA -0.124 4.559 4.640 0.071 0.000 0.194 92 D C 2.111 178.392 176.300 -0.031 0.000 0.990 92 D CA 0.797 54.870 54.000 0.122 0.000 0.826 92 D CB -0.474 40.406 40.800 0.133 0.000 0.971 92 D HN 0.233 nan 8.370 nan 0.000 0.453 93 F N 0.920 120.775 119.950 -0.159 0.000 2.134 93 F HA -0.168 4.401 4.527 0.070 0.000 0.299 93 F C 2.547 178.131 175.800 -0.359 0.000 1.097 93 F CA 0.536 58.203 58.000 -0.556 0.000 1.264 93 F CB -0.687 37.408 39.000 -1.508 0.000 1.001 93 F HN -0.169 nan 8.300 nan 0.000 0.479 94 V N -0.846 119.139 119.914 0.119 0.000 2.295 94 V HA -0.331 3.832 4.120 0.071 0.000 0.246 94 V C 2.071 178.315 176.094 0.249 0.000 1.049 94 V CA 2.062 64.532 62.300 0.283 0.000 1.024 94 V CB -0.936 31.077 31.823 0.315 0.000 0.648 94 V HN 0.425 nan 8.190 nan 0.000 0.447 95 Y N 1.450 121.831 120.300 0.134 0.000 2.145 95 Y HA -0.252 4.341 4.550 0.071 0.000 0.286 95 Y C 2.691 178.679 175.900 0.147 0.000 1.145 95 Y CA 2.026 60.191 58.100 0.108 0.000 1.148 95 Y CB -0.388 38.106 38.460 0.056 0.000 0.981 95 Y HN 0.230 nan 8.280 nan 0.000 0.507 96 S N -0.394 115.365 115.700 0.099 0.000 2.355 96 S HA -0.191 4.321 4.470 0.071 0.000 0.222 96 S C 1.502 176.272 174.600 0.283 0.000 1.031 96 S CA 1.415 59.709 58.200 0.157 0.000 0.993 96 S CB -0.708 62.639 63.200 0.245 0.000 0.859 96 S HN 0.643 nan 8.310 nan 0.000 0.453 97 W N 2.298 123.638 121.300 0.067 0.000 2.402 97 W HA 0.083 4.784 4.660 0.069 0.000 0.286 97 W C 2.430 178.926 176.519 -0.039 0.000 1.221 97 W CA -0.186 57.203 57.345 0.073 0.000 1.257 97 W CB -1.107 28.492 29.460 0.231 0.000 1.120 97 W HN 0.404 nan 8.180 nan 0.000 0.551 98 Q N -0.075 119.825 119.800 0.167 0.000 2.050 98 Q HA -0.212 4.171 4.340 0.071 0.000 0.202 98 Q C 2.320 178.236 176.000 -0.139 0.000 0.980 98 Q CA 1.757 57.574 55.803 0.023 0.000 0.840 98 Q CB -0.424 28.326 28.738 0.020 0.000 0.898 98 Q HN 0.236 nan 8.270 nan 0.000 0.424 99 R N 0.390 120.697 120.500 -0.322 0.000 2.120 99 R HA -0.169 4.214 4.340 0.071 0.000 0.234 99 R C 2.162 178.157 176.300 -0.508 0.000 1.123 99 R CA 0.902 56.748 56.100 -0.423 0.000 0.975 99 R CB -0.132 29.845 30.300 -0.539 0.000 0.866 99 R HN 0.208 nan 8.270 nan 0.000 0.446 100 L N 0.230 121.068 121.223 -0.641 0.000 2.072 100 L HA 0.065 4.448 4.340 0.071 0.000 0.205 100 L C 2.182 178.908 176.870 -0.241 0.000 1.079 100 L CA 2.013 56.510 54.840 -0.572 0.000 0.752 100 L CB -0.539 41.266 42.059 -0.423 0.000 0.906 100 L HN 0.187 nan 8.230 nan 0.000 0.436 101 A N -1.151 121.585 122.820 -0.141 0.000 1.930 101 A HA -0.170 4.192 4.320 0.071 0.000 0.217 101 A C 1.072 178.612 177.584 -0.073 0.000 1.175 101 A CA 0.950 52.944 52.037 -0.071 0.000 0.627 101 A CB -0.877 18.116 19.000 -0.011 0.000 0.815 101 A HN 0.518 nan 8.150 nan 0.000 0.443 102 D N 0.169 120.515 120.400 -0.089 0.000 2.472 102 D HA 0.065 4.748 4.640 0.071 0.000 0.248 102 D C -1.462 174.803 176.300 -0.058 0.000 1.174 102 D CA -1.674 52.287 54.000 -0.064 0.000 0.883 102 D CB 0.960 41.717 40.800 -0.072 0.000 1.149 102 D HN 0.086 nan 8.370 nan 0.000 0.488 103 P HA -0.140 nan 4.420 nan 0.000 0.218 103 P C 0.504 177.788 177.300 -0.027 0.000 1.146 103 P CA 1.161 64.242 63.100 -0.032 0.000 0.813 103 P CB 0.105 31.793 31.700 -0.021 0.000 0.778 104 N N -1.338 117.349 118.700 -0.021 0.000 2.459 104 N HA -0.043 4.739 4.740 0.071 0.000 0.181 104 N C 1.269 176.773 175.510 -0.010 0.000 1.046 104 N CA 0.756 53.800 53.050 -0.011 0.000 0.904 104 N CB -0.295 38.191 38.487 -0.002 0.000 0.964 104 N HN 0.139 nan 8.380 nan 0.000 0.444 105 T N 0.440 114.978 114.554 -0.027 0.000 2.904 105 T HA 0.055 4.448 4.350 0.071 0.000 0.267 105 T C 1.088 175.780 174.700 -0.014 0.000 1.059 105 T CA 0.770 62.859 62.100 -0.018 0.000 1.137 105 T CB -0.165 68.661 68.868 -0.069 0.000 0.879 105 T HN 0.351 nan 8.240 nan 0.000 0.467 106 A N 1.689 124.489 122.820 -0.033 0.000 2.739 106 A HA -0.142 4.220 4.320 0.071 0.000 0.296 106 A C 0.852 178.409 177.584 -0.046 0.000 1.488 106 A CA 0.625 52.637 52.037 -0.043 0.000 0.746 106 A CB -2.231 16.747 19.000 -0.037 0.000 1.047 106 A HN 0.476 nan 8.150 nan 0.000 0.477 107 S N 0.289 115.965 115.700 -0.040 0.000 2.549 107 S HA 0.472 4.985 4.470 0.071 0.000 0.279 107 S C -0.161 174.419 174.600 -0.033 0.000 1.321 107 S CA -0.676 57.520 58.200 -0.007 0.000 1.054 107 S CB 0.619 63.820 63.200 0.001 0.000 0.899 107 S HN 0.433 nan 8.310 nan 0.000 0.497 108 P HA -0.040 nan 4.420 nan 0.000 0.226 108 P C 0.006 177.277 177.300 -0.049 0.000 1.153 108 P CA 1.039 64.082 63.100 -0.094 0.000 0.777 108 P CB -0.039 31.633 31.700 -0.048 0.000 0.794 109 Y N -0.645 119.656 120.300 0.001 0.000 2.708 109 Y HA 0.463 5.057 4.550 0.072 0.000 0.287 109 Y C 2.100 177.958 175.900 -0.071 0.000 1.145 109 Y CA -0.346 57.754 58.100 -0.001 0.000 1.249 109 Y CB -0.456 38.023 38.460 0.033 0.000 1.152 109 Y HN -0.070 nan 8.280 nan 0.000 0.532 110 A N -0.875 121.949 122.820 0.008 0.000 1.933 110 A HA -0.169 4.194 4.320 0.071 0.000 0.218 110 A C 2.319 179.840 177.584 -0.105 0.000 1.175 110 A CA 2.062 54.068 52.037 -0.051 0.000 0.628 110 A CB -0.560 18.399 19.000 -0.068 0.000 0.814 110 A HN 0.337 nan 8.150 nan 0.000 0.444 111 S N -1.715 113.881 115.700 -0.173 0.000 2.500 111 S HA -0.114 4.399 4.470 0.071 0.000 0.239 111 S C 1.509 175.669 174.600 -0.733 0.000 0.989 111 S CA 0.787 58.775 58.200 -0.354 0.000 0.951 111 S CB -0.540 62.479 63.200 -0.301 0.000 0.759 111 S HN 0.641 nan 8.310 nan 0.000 0.523 112 Y N 2.112 122.031 120.300 -0.635 0.000 2.256 112 Y HA -0.116 4.475 4.550 0.069 0.000 0.288 112 Y C 1.687 177.354 175.900 -0.388 0.000 1.155 112 Y CA 1.110 58.870 58.100 -0.567 0.000 1.203 112 Y CB -0.291 38.042 38.460 -0.211 0.000 0.980 112 Y HN 0.239 nan 8.280 nan 0.000 0.530 113 L N -0.857 120.227 121.223 -0.232 0.000 2.179 113 L HA -0.190 4.193 4.340 0.071 0.000 0.208 113 L C 2.284 179.041 176.870 -0.188 0.000 1.096 113 L CA 0.970 55.702 54.840 -0.180 0.000 0.779 113 L CB -0.552 41.450 42.059 -0.095 0.000 0.922 113 L HN 0.195 nan 8.230 nan 0.000 0.443 114 Q N -0.651 119.011 119.800 -0.230 0.000 2.124 114 Q HA -0.198 4.185 4.340 0.071 0.000 0.202 114 Q C 2.126 177.917 176.000 -0.348 0.000 0.977 114 Q CA 1.464 57.130 55.803 -0.229 0.000 0.850 114 Q CB -0.230 28.439 28.738 -0.115 0.000 0.901 114 Q HN 0.457 nan 8.270 nan 0.000 0.429 115 Y N 0.079 120.186 120.300 -0.321 0.000 2.224 115 Y HA -0.053 4.538 4.550 0.070 0.000 0.289 115 Y C 2.457 178.167 175.900 -0.317 0.000 1.146 115 Y CA 1.014 58.935 58.100 -0.299 0.000 1.182 115 Y CB -1.093 37.245 38.460 -0.205 0.000 0.983 115 Y HN 0.146 nan 8.280 nan 0.000 0.524 116 G N -2.237 106.467 108.800 -0.161 0.000 2.623 116 G HA2 -0.095 3.908 3.960 0.071 0.000 0.214 116 G HA3 -0.095 3.908 3.960 0.071 0.000 0.214 116 G C -0.294 174.663 174.900 0.095 0.000 1.138 116 G CA 0.479 45.620 45.100 0.068 0.000 0.794 116 G HN 0.642 nan 8.290 nan 0.000 0.535 117 H N -1.638 117.453 119.070 0.036 0.000 2.880 117 H HA -0.125 4.474 4.556 0.070 0.000 0.304 117 H C -0.101 175.224 175.328 -0.005 0.000 1.259 117 H CA -0.064 55.994 56.048 0.017 0.000 1.153 117 H CB -2.155 27.611 29.762 0.007 0.000 1.395 117 H HN 0.302 nan 8.280 nan 0.000 0.420 118 I N 0.761 121.366 120.570 0.058 0.000 2.648 118 I HA 0.164 4.377 4.170 0.071 0.000 0.284 118 I C 1.269 177.432 176.117 0.078 0.000 1.153 118 I CA 0.864 62.214 61.300 0.083 0.000 1.426 118 I CB 0.461 38.562 38.000 0.169 0.000 1.381 118 I HN 0.504 nan 8.210 nan 0.000 0.571 119 A N 5.799 128.660 122.820 0.068 0.000 2.565 119 A HA 0.100 4.463 4.320 0.071 0.000 0.237 119 A C 1.093 178.713 177.584 0.060 0.000 1.053 119 A CA 0.081 52.154 52.037 0.059 0.000 0.755 119 A CB -0.325 18.701 19.000 0.043 0.000 0.980 119 A HN 0.909 nan 8.150 nan 0.000 0.506 120 N N -0.419 118.312 118.700 0.052 0.000 2.863 120 N HA -0.226 4.557 4.740 0.071 0.000 0.245 120 N C 0.545 176.079 175.510 0.041 0.000 1.001 120 N CA 1.220 54.297 53.050 0.044 0.000 0.901 120 N CB -1.461 37.052 38.487 0.043 0.000 1.124 120 N HN 0.787 nan 8.380 nan 0.000 0.582 121 I N 1.664 122.259 120.570 0.041 0.000 2.286 121 I HA -0.161 4.051 4.170 0.071 0.000 0.248 121 I C 1.601 177.726 176.117 0.013 0.000 1.115 121 I CA 1.750 63.064 61.300 0.023 0.000 1.392 121 I CB -0.119 37.885 38.000 0.006 0.000 1.065 121 I HN 0.036 nan 8.210 nan 0.000 0.418 122 D N 0.708 121.121 120.400 0.022 0.000 2.123 122 D HA -0.182 4.500 4.640 0.071 0.000 0.196 122 D C 1.752 178.062 176.300 0.017 0.000 0.992 122 D CA 1.477 55.489 54.000 0.021 0.000 0.833 122 D CB -0.372 40.448 40.800 0.033 0.000 0.954 122 D HN 0.409 nan 8.370 nan 0.000 0.455 123 D N -0.266 120.146 120.400 0.021 0.000 2.234 123 D HA 0.014 4.697 4.640 0.071 0.000 0.205 123 D C 2.229 178.537 176.300 0.013 0.000 0.962 123 D CA 0.130 54.140 54.000 0.017 0.000 0.855 123 D CB 0.044 40.856 40.800 0.020 0.000 0.951 123 D HN 0.273 nan 8.370 nan 0.000 0.500 124 I N 0.551 121.129 120.570 0.014 0.000 2.233 124 I HA -0.182 4.031 4.170 0.071 0.000 0.243 124 I C 2.323 178.439 176.117 -0.002 0.000 1.093 124 I CA 0.662 61.967 61.300 0.009 0.000 1.380 124 I CB -0.023 37.986 38.000 0.014 0.000 1.067 124 I HN -0.092 nan 8.210 nan 0.000 0.413 125 I N 0.846 121.412 120.570 -0.006 0.000 2.226 125 I HA -0.286 3.927 4.170 0.071 0.000 0.245 125 I C 2.615 178.727 176.117 -0.009 0.000 1.100 125 I CA 1.370 62.661 61.300 -0.015 0.000 1.374 125 I CB -0.442 37.546 38.000 -0.020 0.000 1.057 125 I HN 0.176 nan 8.210 nan 0.000 0.413 126 A N 0.202 123.021 122.820 -0.001 0.000 2.172 126 A HA 0.071 4.434 4.320 0.071 0.000 0.216 126 A C 2.028 179.614 177.584 0.002 0.000 1.154 126 A CA 1.196 53.234 52.037 0.002 0.000 0.701 126 A CB -0.850 18.155 19.000 0.007 0.000 0.789 126 A HN 0.644 nan 8.150 nan 0.000 0.465 127 G N -1.124 107.677 108.800 0.002 0.000 2.176 127 G HA2 -0.287 3.715 3.960 0.071 0.000 0.253 127 G HA3 -0.287 3.715 3.960 0.071 0.000 0.253 127 G C 1.037 175.941 174.900 0.006 0.000 0.979 127 G CA 0.719 45.820 45.100 0.003 0.000 0.641 127 G HN 0.431 nan 8.290 nan 0.000 0.530 128 K N 0.204 120.609 120.400 0.008 0.000 2.167 128 K HA 0.090 4.453 4.320 0.071 0.000 0.203 128 K C 1.055 177.663 176.600 0.012 0.000 1.052 128 K CA 1.010 57.303 56.287 0.010 0.000 0.956 128 K CB 0.106 32.613 32.500 0.012 0.000 0.735 128 K HN 0.518 nan 8.250 nan 0.000 0.451 129 K N 1.280 121.688 120.400 0.014 0.000 2.422 129 K HA 0.336 4.699 4.320 0.071 0.000 0.251 129 K C -2.694 173.916 176.600 0.017 0.000 0.933 129 K CA -2.119 54.178 56.287 0.017 0.000 0.798 129 K CB 2.086 34.598 32.500 0.021 0.000 1.238 129 K HN -0.160 nan 8.250 nan 0.000 0.428 130 P HA -0.010 nan 4.420 nan 0.000 0.270 130 P C 0.035 177.350 177.300 0.025 0.000 1.223 130 P CA -0.053 63.059 63.100 0.020 0.000 0.785 130 P CB 0.733 32.447 31.700 0.023 0.000 0.923 131 A N 1.848 124.682 122.820 0.023 0.000 2.014 131 A HA -0.109 4.253 4.320 0.071 0.000 0.218 131 A C 1.863 179.476 177.584 0.049 0.000 1.163 131 A CA 1.931 53.984 52.037 0.027 0.000 0.652 131 A CB -1.813 17.191 19.000 0.005 0.000 0.808 131 A HN 0.664 nan 8.150 nan 0.000 0.449 132 T N -2.521 112.064 114.554 0.051 0.000 3.051 132 T HA -0.093 4.299 4.350 0.071 0.000 0.269 132 T C 0.865 175.603 174.700 0.064 0.000 1.127 132 T CA 1.427 63.567 62.100 0.066 0.000 1.107 132 T CB -0.353 68.552 68.868 0.061 0.000 0.898 132 T HN 0.314 nan 8.240 nan 0.000 0.517 133 D N 0.420 120.853 120.400 0.054 0.000 2.349 133 D HA 0.207 4.890 4.640 0.071 0.000 0.224 133 D C 0.487 176.823 176.300 0.061 0.000 1.029 133 D CA -0.208 53.822 54.000 0.051 0.000 0.879 133 D CB -0.375 40.449 40.800 0.040 0.000 0.906 133 D HN 0.313 nan 8.370 nan 0.000 0.528 134 L N 0.660 121.930 121.223 0.078 0.000 2.543 134 L HA 0.152 4.535 4.340 0.071 0.000 0.285 134 L C 1.259 178.188 176.870 0.099 0.000 1.236 134 L CA 0.289 55.190 54.840 0.101 0.000 0.871 134 L CB 0.595 42.742 42.059 0.146 0.000 1.121 134 L HN 0.047 nan 8.230 nan 0.000 0.501 135 G N 5.503 114.359 108.800 0.093 0.000 3.180 135 G HA2 0.407 4.410 3.960 0.071 0.000 0.252 135 G HA3 0.407 4.410 3.960 0.071 0.000 0.252 135 G C -0.475 174.447 174.900 0.037 0.000 0.871 135 G CA 0.364 45.500 45.100 0.060 0.000 1.979 135 G HN 0.766 nan 8.290 nan 0.000 0.624 136 V N -1.682 118.250 119.914 0.030 0.000 2.709 136 V HA 0.930 5.093 4.120 0.071 0.000 0.308 136 V C -0.625 175.438 176.094 -0.052 0.000 1.062 136 V CA -1.433 60.815 62.300 -0.087 0.000 0.901 136 V CB 1.932 33.770 31.823 0.025 0.000 1.003 136 V HN 0.528 nan 8.190 nan 0.000 0.425 137 K N 2.945 123.255 120.400 -0.150 0.000 2.527 137 K HA 0.882 5.245 4.320 0.071 0.000 0.260 137 K C -0.910 175.702 176.600 0.020 0.000 0.937 137 K CA -0.487 55.798 56.287 -0.003 0.000 0.826 137 K CB 2.515 35.018 32.500 0.005 0.000 1.359 137 K HN 1.285 nan 8.250 nan 0.000 0.434 138 A N 3.834 126.722 122.820 0.112 0.000 2.302 138 A HA 0.319 4.681 4.320 0.071 0.000 0.295 138 A C 0.777 178.380 177.584 0.031 0.000 1.235 138 A CA -0.852 51.215 52.037 0.050 0.000 0.876 138 A CB -0.222 18.680 19.000 -0.163 0.000 1.133 138 A HN 0.812 nan 8.150 nan 0.000 0.533 139 L N 1.105 122.336 121.223 0.013 0.000 2.240 139 L HA 0.082 4.465 4.340 0.071 0.000 0.211 139 L C 0.558 177.444 176.870 0.028 0.000 1.106 139 L CA 1.065 55.918 54.840 0.021 0.000 0.793 139 L CB -0.459 41.608 42.059 0.014 0.000 0.927 139 L HN 0.957 nan 8.230 nan 0.000 0.446 140 D N -4.735 115.660 120.400 -0.009 0.000 2.779 140 D HA 0.037 4.720 4.640 0.071 0.000 0.331 140 D C -0.024 176.176 176.300 -0.168 0.000 1.331 140 D CA -0.613 53.370 54.000 -0.028 0.000 0.866 140 D CB 0.229 41.027 40.800 -0.004 0.000 1.409 140 D HN -0.338 nan 8.370 nan 0.000 0.486 141 D N -1.524 118.743 120.400 -0.222 0.000 2.221 141 D HA -0.095 4.588 4.640 0.071 0.000 0.204 141 D C 0.386 176.438 176.300 -0.412 0.000 0.982 141 D CA 1.310 55.086 54.000 -0.374 0.000 0.857 141 D CB -0.057 40.491 40.800 -0.421 0.000 0.934 141 D HN 0.381 nan 8.370 nan 0.000 0.475 142 H N -1.351 117.734 119.070 0.025 0.000 2.510 142 H HA 0.362 4.961 4.556 0.072 0.000 0.266 142 H C -0.315 175.054 175.328 0.068 0.000 1.146 142 H CA -0.030 56.046 56.048 0.046 0.000 0.993 142 H CB 0.182 29.979 29.762 0.058 0.000 1.727 142 H HN -0.160 nan 8.280 nan 0.000 0.590 143 T N 1.354 115.974 114.554 0.110 0.000 3.143 143 T HA 0.211 4.603 4.350 0.071 0.000 0.312 143 T C -1.291 173.476 174.700 0.112 0.000 0.986 143 T CA -0.536 61.621 62.100 0.095 0.000 1.024 143 T CB 1.243 70.156 68.868 0.076 0.000 1.030 143 T HN 0.104 nan 8.240 nan 0.000 0.448 144 F N 3.045 122.968 119.950 -0.044 0.000 2.449 144 F HA 0.628 5.197 4.527 0.070 0.000 0.342 144 F C -0.083 175.748 175.800 0.051 0.000 1.127 144 F CA -1.058 56.909 58.000 -0.055 0.000 0.975 144 F CB 1.131 40.023 39.000 -0.179 0.000 1.146 144 F HN 0.522 nan 8.300 nan 0.000 0.444 145 E N 5.533 125.484 120.200 -0.415 0.000 2.171 145 E HA 0.613 5.006 4.350 0.071 0.000 0.271 145 E C -1.852 174.482 176.600 -0.442 0.000 0.916 145 E CA -0.758 55.461 56.400 -0.300 0.000 0.774 145 E CB 1.942 31.546 29.700 -0.160 0.000 1.128 145 E HN 0.525 nan 8.360 nan 0.000 0.403 146 V N 3.280 123.087 119.914 -0.178 0.000 2.540 146 V HA 0.375 4.538 4.120 0.071 0.000 0.302 146 V C -0.358 175.745 176.094 0.015 0.000 1.035 146 V CA -0.692 61.555 62.300 -0.089 0.000 0.873 146 V CB 2.020 33.938 31.823 0.158 0.000 0.992 146 V HN 0.729 nan 8.190 nan 0.000 0.428 147 T N 6.252 120.801 114.554 -0.008 0.000 2.791 147 T HA 0.608 5.001 4.350 0.071 0.000 0.288 147 T C -0.285 174.415 174.700 0.000 0.000 0.999 147 T CA -0.295 61.806 62.100 0.002 0.000 0.952 147 T CB 0.643 69.507 68.868 -0.007 0.000 0.938 147 T HN 0.363 nan 8.240 nan 0.000 0.444 148 L N 2.200 123.416 121.223 -0.011 0.000 2.379 148 L HA 0.391 4.774 4.340 0.071 0.000 0.269 148 L C 1.796 178.682 176.870 0.027 0.000 1.084 148 L CA -0.770 54.064 54.840 -0.010 0.000 0.802 148 L CB 1.045 43.075 42.059 -0.049 0.000 1.175 148 L HN 0.720 nan 8.230 nan 0.000 0.448 149 S N -0.375 115.357 115.700 0.054 0.000 2.515 149 S HA -0.016 4.496 4.470 0.071 0.000 0.231 149 S C 0.322 174.927 174.600 0.008 0.000 0.987 149 S CA 0.171 58.396 58.200 0.041 0.000 0.936 149 S CB -0.351 62.892 63.200 0.070 0.000 0.766 149 S HN 0.798 nan 8.310 nan 0.000 0.528 150 E N -0.229 119.964 120.200 -0.012 0.000 2.407 150 E HA 0.432 4.825 4.350 0.071 0.000 0.279 150 E C -3.556 173.041 176.600 -0.004 0.000 1.012 150 E CA -2.714 53.663 56.400 -0.038 0.000 0.800 150 E CB 0.592 30.226 29.700 -0.111 0.000 1.276 150 E HN -0.050 nan 8.360 nan 0.000 0.452 151 P HA 0.075 nan 4.420 nan 0.000 0.263 151 P C -0.611 176.722 177.300 0.056 0.000 1.195 151 P CA -0.175 63.010 63.100 0.142 0.000 0.762 151 P CB 0.553 32.373 31.700 0.199 0.000 0.799 152 V N 6.926 126.903 119.914 0.104 0.000 2.443 152 V HA 0.167 4.329 4.120 0.071 0.000 0.272 152 V C -1.671 174.378 176.094 -0.074 0.000 1.002 152 V CA -1.237 60.965 62.300 -0.164 0.000 0.840 152 V CB 1.656 33.355 31.823 -0.207 0.000 1.042 152 V HN 0.400 nan 8.190 nan 0.000 0.446 153 P HA -0.111 nan 4.420 nan 0.000 0.218 153 P C 1.015 178.393 177.300 0.130 0.000 1.149 153 P CA 1.205 64.114 63.100 -0.318 0.000 0.817 153 P CB 0.000 31.307 31.700 -0.655 0.000 0.785 154 Y N -4.273 116.087 120.300 0.100 0.000 2.461 154 Y HA 0.309 4.901 4.550 0.070 0.000 0.277 154 Y C 1.817 177.566 175.900 -0.251 0.000 1.182 154 Y CA -1.053 57.022 58.100 -0.042 0.000 1.276 154 Y CB -1.545 36.902 38.460 -0.021 0.000 1.087 154 Y HN -0.203 nan 8.280 nan 0.000 0.519 155 F N 2.589 122.251 119.950 -0.481 0.000 2.063 155 F HA -0.341 4.230 4.527 0.074 0.000 0.298 155 F C 2.472 177.894 175.800 -0.630 0.000 1.109 155 F CA 2.036 59.650 58.000 -0.645 0.000 1.212 155 F CB -0.918 37.548 39.000 -0.891 0.000 0.973 155 F HN 0.296 nan 8.300 nan 0.000 0.480 156 Y N 0.110 119.984 120.300 -0.711 0.000 2.384 156 Y HA -0.140 4.450 4.550 0.066 0.000 0.289 156 Y C 1.984 177.673 175.900 -0.352 0.000 1.152 156 Y CA 1.452 59.229 58.100 -0.539 0.000 1.258 156 Y CB -1.510 36.859 38.460 -0.151 0.000 0.979 156 Y HN 0.080 nan 8.280 nan 0.000 0.549 157 K N 0.070 119.868 120.400 -1.003 0.000 2.211 157 K HA -0.074 4.289 4.320 0.071 0.000 0.203 157 K C 1.604 178.012 176.600 -0.320 0.000 1.050 157 K CA 1.199 57.170 56.287 -0.527 0.000 0.945 157 K CB -0.207 32.067 32.500 -0.376 0.000 0.732 157 K HN 0.272 nan 8.250 nan 0.000 0.451 158 L N 0.758 121.637 121.223 -0.574 0.000 2.275 158 L HA -0.106 4.277 4.340 0.071 0.000 0.215 158 L C 1.736 178.528 176.870 -0.129 0.000 1.119 158 L CA 1.343 55.896 54.840 -0.477 0.000 0.790 158 L CB -0.357 41.194 42.059 -0.846 0.000 0.919 158 L HN 0.156 nan 8.230 nan 0.000 0.443 159 L N -0.731 120.333 121.223 -0.266 0.000 2.549 159 L HA -0.087 4.295 4.340 0.071 0.000 0.229 159 L C 2.185 179.048 176.870 -0.012 0.000 1.158 159 L CA 0.507 55.251 54.840 -0.159 0.000 0.842 159 L CB -0.694 41.179 42.059 -0.310 0.000 0.952 159 L HN 0.306 nan 8.230 nan 0.000 0.452 160 V N -4.262 115.678 119.914 0.044 0.000 3.306 160 V HA -0.034 4.129 4.120 0.071 0.000 0.264 160 V C 1.384 177.531 176.094 0.088 0.000 1.149 160 V CA 0.201 62.566 62.300 0.108 0.000 1.143 160 V CB -0.876 31.037 31.823 0.148 0.000 0.767 160 V HN 0.342 nan 8.190 nan 0.000 0.476 161 H N 1.618 120.649 119.070 -0.066 0.000 2.732 161 H HA 0.207 4.804 4.556 0.070 0.000 0.351 161 H C -1.712 173.453 175.328 -0.272 0.000 1.090 161 H CA -1.177 54.721 56.048 -0.250 0.000 1.431 161 H CB 2.018 31.455 29.762 -0.542 0.000 1.447 161 H HN 0.130 nan 8.280 nan 0.000 0.582 162 P HA -0.176 nan 4.420 nan 0.000 0.218 162 P C 1.515 178.596 177.300 -0.363 0.000 1.148 162 P CA 1.793 64.602 63.100 -0.485 0.000 0.822 162 P CB 0.092 31.457 31.700 -0.558 0.000 0.784 163 S N -0.918 114.514 115.700 -0.446 0.000 2.442 163 S HA -0.088 4.424 4.470 0.071 0.000 0.236 163 S C 1.471 176.017 174.600 -0.091 0.000 1.007 163 S CA 1.292 59.374 58.200 -0.195 0.000 0.965 163 S CB -1.477 61.575 63.200 -0.248 0.000 0.773 163 S HN 0.156 nan 8.310 nan 0.000 0.504 164 V N -1.249 118.596 119.914 -0.115 0.000 3.177 164 V HA 0.460 4.623 4.120 0.071 0.000 0.342 164 V C 0.198 176.504 176.094 0.353 0.000 1.379 164 V CA -0.704 61.574 62.300 -0.038 0.000 1.191 164 V CB -0.544 31.112 31.823 -0.279 0.000 1.167 164 V HN 0.254 nan 8.190 nan 0.000 0.471 165 S N 3.714 119.511 115.700 0.162 0.000 2.586 165 S HA 0.500 5.013 4.470 0.071 0.000 0.274 165 S C -2.303 172.301 174.600 0.007 0.000 1.281 165 S CA -0.629 57.656 58.200 0.141 0.000 1.035 165 S CB 1.225 64.472 63.200 0.078 0.000 0.962 165 S HN 0.491 nan 8.310 nan 0.000 0.512 166 P HA 0.247 nan 4.420 nan 0.000 0.275 166 P C -0.818 176.504 177.300 0.038 0.000 1.228 166 P CA -0.386 62.557 63.100 -0.262 0.000 0.786 166 P CB 0.687 31.990 31.700 -0.661 0.000 0.927 167 V N -0.617 119.316 119.914 0.032 0.000 2.769 167 V HA 0.659 4.822 4.120 0.071 0.000 0.312 167 V C -2.664 173.368 176.094 -0.104 0.000 1.061 167 V CA -2.984 59.243 62.300 -0.122 0.000 0.931 167 V CB 1.848 33.408 31.823 -0.439 0.000 1.010 167 V HN 0.358 nan 8.190 nan 0.000 0.433 168 P HA 0.292 nan 4.420 nan 0.000 0.283 168 P C 0.348 177.312 177.300 -0.560 0.000 1.412 168 P CA -0.374 62.288 63.100 -0.731 0.000 0.912 168 P CB 1.473 32.511 31.700 -1.103 0.000 1.132 169 K N 3.356 123.440 120.400 -0.526 0.000 2.077 169 K HA -0.228 4.135 4.320 0.071 0.000 0.213 169 K C 1.800 178.118 176.600 -0.469 0.000 1.051 169 K CA 2.532 58.389 56.287 -0.716 0.000 0.929 169 K CB -0.305 31.508 32.500 -1.145 0.000 0.715 169 K HN 0.424 nan 8.250 nan 0.000 0.451 170 S N -0.414 115.061 115.700 -0.376 0.000 2.447 170 S HA -0.052 4.461 4.470 0.071 0.000 0.233 170 S C 2.011 176.517 174.600 -0.156 0.000 1.006 170 S CA 0.841 58.892 58.200 -0.248 0.000 0.957 170 S CB -0.082 62.998 63.200 -0.201 0.000 0.773 170 S HN 0.429 nan 8.310 nan 0.000 0.507 171 A N 1.334 124.078 122.820 -0.128 0.000 1.903 171 A HA 0.244 4.606 4.320 0.071 0.000 0.213 171 A C 2.360 180.015 177.584 0.119 0.000 1.185 171 A CA 1.094 53.232 52.037 0.168 0.000 0.628 171 A CB -0.963 18.198 19.000 0.270 0.000 0.830 171 A HN 0.417 nan 8.150 nan 0.000 0.446 172 V N 0.229 119.972 119.914 -0.285 0.000 2.287 172 V HA -0.302 3.861 4.120 0.071 0.000 0.248 172 V C 2.455 178.501 176.094 -0.079 0.000 1.053 172 V CA 2.478 64.575 62.300 -0.337 0.000 1.027 172 V CB -0.785 30.732 31.823 -0.511 0.000 0.646 172 V HN 0.648 nan 8.190 nan 0.000 0.447 173 E N -0.410 119.715 120.200 -0.125 0.000 2.106 173 E HA -0.246 4.147 4.350 0.071 0.000 0.192 173 E C 2.282 178.804 176.600 -0.130 0.000 0.984 173 E CA 1.392 57.730 56.400 -0.104 0.000 0.806 173 E CB -0.063 29.551 29.700 -0.144 0.000 0.750 173 E HN 0.572 nan 8.360 nan 0.000 0.458 174 K N -0.414 119.847 120.400 -0.232 0.000 2.186 174 K HA -0.039 4.323 4.320 0.071 0.000 0.202 174 K C 0.913 177.212 176.600 -0.502 0.000 1.052 174 K CA 0.854 56.867 56.287 -0.456 0.000 0.965 174 K CB 0.192 32.260 32.500 -0.719 0.000 0.746 174 K HN 0.035 nan 8.250 nan 0.000 0.457 175 F N 0.479 120.471 119.950 0.069 0.000 2.682 175 F HA 0.351 4.921 4.527 0.071 0.000 0.308 175 F C 1.309 177.197 175.800 0.146 0.000 1.093 175 F CA 0.100 58.168 58.000 0.113 0.000 1.244 175 F CB 0.418 39.514 39.000 0.159 0.000 1.052 175 F HN 0.235 nan 8.300 nan 0.000 0.573 176 G N 2.014 110.974 108.800 0.267 0.000 2.594 176 G HA2 -0.466 3.537 3.960 0.071 0.000 0.297 176 G HA3 -0.466 3.537 3.960 0.071 0.000 0.297 176 G C 0.702 175.825 174.900 0.371 0.000 1.273 176 G CA 0.741 45.987 45.100 0.243 0.000 0.974 176 G HN 0.495 nan 8.290 nan 0.000 0.552 177 D N -0.017 120.545 120.400 0.271 0.000 2.393 177 D HA -0.001 4.682 4.640 0.071 0.000 0.220 177 D C 1.726 178.129 176.300 0.171 0.000 0.974 177 D CA 1.616 55.757 54.000 0.235 0.000 0.931 177 D CB -0.034 40.847 40.800 0.136 0.000 0.889 177 D HN 0.584 nan 8.370 nan 0.000 0.512 178 K N 0.039 120.562 120.400 0.204 0.000 2.374 178 K HA 0.071 4.434 4.320 0.071 0.000 0.196 178 K C 1.288 177.969 176.600 0.135 0.000 1.023 178 K CA -0.120 56.239 56.287 0.120 0.000 1.103 178 K CB -0.084 32.484 32.500 0.113 0.000 0.848 178 K HN 0.439 nan 8.250 nan 0.000 0.528 179 W N 1.488 122.869 121.300 0.135 0.000 2.350 179 W HA -0.191 4.511 4.660 0.070 0.000 0.289 179 W C 0.965 177.527 176.519 0.071 0.000 1.215 179 W CA 1.694 59.110 57.345 0.117 0.000 1.236 179 W CB -0.866 28.701 29.460 0.179 0.000 1.130 179 W HN -0.001 nan 8.180 nan 0.000 0.541 180 T N -0.664 113.591 114.554 -0.499 0.000 3.148 180 T HA 0.001 4.394 4.350 0.071 0.000 0.253 180 T C 0.916 175.572 174.700 -0.073 0.000 1.134 180 T CA 0.099 61.897 62.100 -0.504 0.000 1.051 180 T CB -0.185 68.317 68.868 -0.611 0.000 0.959 180 T HN -0.040 nan 8.240 nan 0.000 0.525 181 Q N 1.834 121.603 119.800 -0.051 0.000 2.421 181 Q HA 0.187 4.570 4.340 0.071 0.000 0.255 181 Q C -1.670 174.324 176.000 -0.010 0.000 1.013 181 Q CA -2.035 53.762 55.803 -0.010 0.000 0.895 181 Q CB 0.993 29.684 28.738 -0.079 0.000 1.271 181 Q HN 0.152 nan 8.270 nan 0.000 0.460 182 P HA -0.115 nan 4.420 nan 0.000 0.220 182 P C 0.509 177.798 177.300 -0.018 0.000 1.148 182 P CA 1.652 64.767 63.100 0.025 0.000 0.803 182 P CB 0.237 31.968 31.700 0.051 0.000 0.782 183 A N -0.850 121.934 122.820 -0.061 0.000 2.067 183 A HA -0.071 4.292 4.320 0.071 0.000 0.217 183 A C 1.874 179.355 177.584 -0.172 0.000 1.156 183 A CA 1.200 53.184 52.037 -0.087 0.000 0.683 183 A CB -0.671 18.278 19.000 -0.085 0.000 0.808 183 A HN 0.136 nan 8.150 nan 0.000 0.455 184 N N -0.971 117.571 118.700 -0.263 0.000 2.407 184 N HA 0.173 4.956 4.740 0.071 0.000 0.182 184 N C 0.522 175.971 175.510 -0.102 0.000 1.079 184 N CA -0.149 52.621 53.050 -0.467 0.000 0.882 184 N CB 0.184 38.129 38.487 -0.903 0.000 1.106 184 N HN 0.498 nan 8.380 nan 0.000 0.461 185 I N 1.771 122.348 120.570 0.012 0.000 2.836 185 I HA -0.012 4.201 4.170 0.071 0.000 0.285 185 I C -0.648 175.588 176.117 0.199 0.000 1.174 185 I CA 0.076 61.486 61.300 0.184 0.000 1.405 185 I CB 0.706 38.757 38.000 0.086 0.000 1.385 185 I HN -0.299 nan 8.210 nan 0.000 0.594 186 V N 5.701 125.809 119.914 0.325 0.000 2.577 186 V HA 0.453 4.616 4.120 0.071 0.000 0.303 186 V C -0.186 176.192 176.094 0.473 0.000 1.042 186 V CA -0.434 62.027 62.300 0.268 0.000 0.872 186 V CB 1.999 33.872 31.823 0.083 0.000 0.998 186 V HN 0.893 nan 8.190 nan 0.000 0.423 187 T N 0.136 114.940 114.554 0.418 0.000 2.916 187 T HA 0.478 4.871 4.350 0.071 0.000 0.292 187 T C 0.122 175.035 174.700 0.354 0.000 1.064 187 T CA -0.671 61.624 62.100 0.324 0.000 1.011 187 T CB 2.066 70.804 68.868 -0.215 0.000 1.152 187 T HN 0.635 nan 8.240 nan 0.000 0.510 188 N N -0.482 118.258 118.700 0.067 0.000 2.197 188 N HA 0.225 5.007 4.740 0.071 0.000 0.228 188 N C 0.574 176.087 175.510 0.005 0.000 1.212 188 N CA -0.374 52.615 53.050 -0.101 0.000 0.883 188 N CB 0.408 38.495 38.487 -0.667 0.000 1.107 188 N HN 0.823 nan 8.380 nan 0.000 0.519 189 G N -0.074 108.661 108.800 -0.109 0.000 2.510 189 G HA2 0.518 4.521 3.960 0.071 0.000 0.280 189 G HA3 0.518 4.521 3.960 0.071 0.000 0.280 189 G C 0.869 175.392 174.900 -0.628 0.000 1.386 189 G CA -0.035 44.909 45.100 -0.260 0.000 1.047 189 G HN 0.204 nan 8.290 nan 0.000 0.527 190 A N -1.634 120.571 122.820 -1.025 0.000 2.019 190 A HA 0.195 4.558 4.320 0.071 0.000 0.219 190 A C 0.585 177.645 177.584 -0.872 0.000 1.164 190 A CA 1.009 52.363 52.037 -1.139 0.000 0.644 190 A CB -0.418 18.021 19.000 -0.936 0.000 0.805 190 A HN 0.469 nan 8.150 nan 0.000 0.449 191 Y N -1.284 118.868 120.300 -0.246 0.000 2.631 191 Y HA 0.599 5.189 4.550 0.067 0.000 0.328 191 Y C 0.378 176.198 175.900 -0.134 0.000 1.118 191 Y CA -0.865 57.150 58.100 -0.143 0.000 1.206 191 Y CB 1.300 39.694 38.460 -0.110 0.000 1.337 191 Y HN -0.086 nan 8.280 nan 0.000 0.515 192 K N 0.901 121.342 120.400 0.070 0.000 2.385 192 K HA 0.437 4.799 4.320 0.071 0.000 0.248 192 K C -1.792 174.818 176.600 0.017 0.000 0.955 192 K CA -1.227 55.069 56.287 0.016 0.000 0.816 192 K CB 2.560 35.080 32.500 0.034 0.000 1.250 192 K HN 0.386 nan 8.250 nan 0.000 0.434 193 L N 3.106 124.318 121.223 -0.019 0.000 2.369 193 L HA 0.127 4.510 4.340 0.071 0.000 0.279 193 L C 1.058 177.939 176.870 0.019 0.000 1.108 193 L CA 0.777 55.604 54.840 -0.022 0.000 0.852 193 L CB 0.395 42.432 42.059 -0.037 0.000 1.169 193 L HN 0.688 nan 8.230 nan 0.000 0.452 194 K N 3.606 124.023 120.400 0.028 0.000 2.190 194 K HA 0.176 4.538 4.320 0.071 0.000 0.202 194 K C -0.105 176.526 176.600 0.052 0.000 1.045 194 K CA 0.314 56.624 56.287 0.039 0.000 0.976 194 K CB 0.428 32.951 32.500 0.039 0.000 0.849 194 K HN 0.690 nan 8.250 nan 0.000 0.468 195 N N -0.666 118.073 118.700 0.066 0.000 2.277 195 N HA 0.121 4.904 4.740 0.071 0.000 0.286 195 N C -2.176 173.451 175.510 0.194 0.000 1.140 195 N CA -0.460 52.652 53.050 0.104 0.000 0.799 195 N CB 1.624 40.158 38.487 0.078 0.000 1.596 195 N HN 0.101 nan 8.380 nan 0.000 0.473 196 W N 2.906 124.190 121.300 -0.026 0.000 2.664 196 W HA 0.448 5.153 4.660 0.074 0.000 0.314 196 W C -1.860 174.644 176.519 -0.025 0.000 1.010 196 W CA -0.668 56.659 57.345 -0.029 0.000 1.306 196 W CB 0.376 29.809 29.460 -0.045 0.000 1.254 196 W HN 0.092 nan 8.180 nan 0.000 0.404 197 V N 6.852 126.934 119.914 0.281 0.000 2.313 197 V HA 0.229 4.391 4.120 0.071 0.000 0.278 197 V C 0.329 176.489 176.094 0.111 0.000 1.017 197 V CA -1.086 61.264 62.300 0.083 0.000 0.823 197 V CB 0.883 32.746 31.823 0.066 0.000 1.010 197 V HN 0.202 nan 8.190 nan 0.000 0.443 198 V N 5.595 125.476 119.914 -0.056 0.000 2.509 198 V HA 0.027 4.190 4.120 0.071 0.000 0.297 198 V C 1.224 177.351 176.094 0.054 0.000 1.014 198 V CA 0.875 63.183 62.300 0.014 0.000 1.127 198 V CB -0.752 30.989 31.823 -0.136 0.000 0.925 198 V HN 1.156 nan 8.190 nan 0.000 0.480 199 N N 2.056 120.816 118.700 0.101 0.000 2.850 199 N HA -0.195 4.588 4.740 0.071 0.000 0.249 199 N C 1.029 176.570 175.510 0.051 0.000 1.060 199 N CA 1.092 54.181 53.050 0.065 0.000 0.825 199 N CB -0.428 38.082 38.487 0.039 0.000 1.132 199 N HN 0.895 nan 8.380 nan 0.000 0.564 200 E N 0.294 120.536 120.200 0.071 0.000 3.312 200 E HA 0.194 4.587 4.350 0.071 0.000 0.178 200 E C 0.102 176.741 176.600 0.065 0.000 1.204 200 E CA 0.160 56.592 56.400 0.054 0.000 1.335 200 E CB 0.866 30.592 29.700 0.044 0.000 1.680 200 E HN 0.351 nan 8.360 nan 0.000 0.503 201 R N 0.004 120.564 120.500 0.100 0.000 2.690 201 R HA 0.483 4.866 4.340 0.071 0.000 0.269 201 R C -1.622 174.756 176.300 0.130 0.000 1.037 201 R CA -0.647 55.506 56.100 0.089 0.000 0.877 201 R CB 0.634 30.964 30.300 0.051 0.000 1.255 201 R HN 0.030 nan 8.270 nan 0.000 0.467 202 I N 1.957 122.569 120.570 0.070 0.000 2.418 202 I HA 0.334 4.547 4.170 0.071 0.000 0.287 202 I C -0.834 175.299 176.117 0.027 0.000 1.008 202 I CA -1.097 60.209 61.300 0.010 0.000 1.104 202 I CB 2.308 40.208 38.000 -0.166 0.000 1.264 202 I HN 0.317 nan 8.210 nan 0.000 0.438 203 V N 7.497 127.424 119.914 0.022 0.000 2.357 203 V HA 0.446 4.608 4.120 0.071 0.000 0.284 203 V C 0.001 176.097 176.094 0.003 0.000 1.018 203 V CA -0.527 61.777 62.300 0.007 0.000 0.841 203 V CB 1.503 33.337 31.823 0.018 0.000 0.991 203 V HN 0.463 nan 8.190 nan 0.000 0.437 204 L N 5.341 126.553 121.223 -0.018 0.000 2.325 204 L HA 0.689 5.072 4.340 0.071 0.000 0.278 204 L C 0.140 177.061 176.870 0.086 0.000 1.023 204 L CA -0.546 54.299 54.840 0.008 0.000 0.811 204 L CB 1.783 43.805 42.059 -0.063 0.000 1.249 204 L HN 0.756 nan 8.230 nan 0.000 0.431 205 E N 2.481 122.780 120.200 0.165 0.000 2.227 205 E HA 0.411 4.804 4.350 0.071 0.000 0.268 205 E C -0.741 176.004 176.600 0.243 0.000 0.907 205 E CA -1.089 55.422 56.400 0.185 0.000 0.786 205 E CB 2.138 31.893 29.700 0.092 0.000 1.191 205 E HN 0.422 nan 8.360 nan 0.000 0.411 206 R N 1.854 122.453 120.500 0.165 0.000 2.583 206 R HA -0.067 4.316 4.340 0.071 0.000 0.274 206 R C -0.571 175.656 176.300 -0.121 0.000 0.998 206 R CA 0.086 56.094 56.100 -0.153 0.000 1.081 206 R CB 0.243 30.483 30.300 -0.100 0.000 0.940 206 R HN 0.585 nan 8.270 nan 0.000 0.413 207 N N 6.277 124.853 118.700 -0.208 0.000 2.462 207 N HA 0.150 4.932 4.740 0.071 0.000 0.242 207 N C -1.858 173.637 175.510 -0.025 0.000 1.010 207 N CA -2.214 50.792 53.050 -0.073 0.000 0.939 207 N CB 1.333 39.779 38.487 -0.068 0.000 1.127 207 N HN 0.366 nan 8.380 nan 0.000 0.509 208 P HA -0.151 nan 4.420 nan 0.000 0.220 208 P C 0.551 177.880 177.300 0.048 0.000 1.148 208 P CA 1.094 64.206 63.100 0.019 0.000 0.803 208 P CB 0.515 32.228 31.700 0.023 0.000 0.782 209 Q N -1.378 118.469 119.800 0.077 0.000 2.378 209 Q HA -0.062 4.320 4.340 0.071 0.000 0.205 209 Q C 0.727 176.804 176.000 0.129 0.000 0.954 209 Q CA 0.087 55.952 55.803 0.104 0.000 0.901 209 Q CB -1.081 27.738 28.738 0.135 0.000 0.981 209 Q HN 0.347 nan 8.270 nan 0.000 0.483 210 Y N 2.441 122.723 120.300 -0.030 0.000 2.895 210 Y HA -0.223 4.367 4.550 0.067 0.000 0.334 210 Y C 1.361 177.236 175.900 -0.042 0.000 1.261 210 Y CA -0.290 57.765 58.100 -0.074 0.000 1.560 210 Y CB 0.264 38.596 38.460 -0.214 0.000 1.253 210 Y HN 0.263 nan 8.280 nan 0.000 0.582 211 W N 4.167 125.104 121.300 -0.604 0.000 2.342 211 W HA -0.181 4.519 4.660 0.068 0.000 0.297 211 W C 0.409 176.592 176.519 -0.560 0.000 1.213 211 W CA 1.322 58.368 57.345 -0.498 0.000 1.251 211 W CB -0.401 28.811 29.460 -0.414 0.000 1.136 211 W HN 0.521 nan 8.180 nan 0.000 0.526 212 D N 0.926 120.184 120.400 -1.903 0.000 2.460 212 D HA -0.021 4.662 4.640 0.071 0.000 0.229 212 D C 1.446 177.471 176.300 -0.459 0.000 1.170 212 D CA 0.029 53.314 54.000 -1.192 0.000 0.827 212 D CB -0.692 39.042 40.800 -1.776 0.000 0.973 212 D HN 0.003 nan 8.370 nan 0.000 0.496 213 N N 0.496 119.042 118.700 -0.257 0.000 2.137 213 N HA -0.219 4.564 4.740 0.071 0.000 0.190 213 N C 1.668 177.143 175.510 -0.058 0.000 1.017 213 N CA 1.716 54.741 53.050 -0.042 0.000 0.859 213 N CB -0.052 38.424 38.487 -0.019 0.000 1.002 213 N HN 0.180 nan 8.380 nan 0.000 0.428 214 A N -0.033 122.744 122.820 -0.071 0.000 2.024 214 A HA -0.120 4.242 4.320 0.071 0.000 0.220 214 A C 1.960 179.519 177.584 -0.042 0.000 1.164 214 A CA 1.404 53.414 52.037 -0.044 0.000 0.643 214 A CB -0.306 18.674 19.000 -0.032 0.000 0.806 214 A HN 0.394 nan 8.150 nan 0.000 0.451 215 K N -0.610 119.755 120.400 -0.059 0.000 2.393 215 K HA 0.070 4.432 4.320 0.071 0.000 0.193 215 K C -0.201 176.389 176.600 -0.017 0.000 1.026 215 K CA 0.106 56.369 56.287 -0.039 0.000 1.064 215 K CB 0.212 32.680 32.500 -0.053 0.000 0.833 215 K HN 0.283 nan 8.250 nan 0.000 0.521 216 T N 0.761 115.301 114.554 -0.023 0.000 2.870 216 T HA 0.071 4.464 4.350 0.071 0.000 0.300 216 T C 1.115 175.829 174.700 0.022 0.000 0.989 216 T CA -0.148 61.944 62.100 -0.013 0.000 1.139 216 T CB 1.686 70.490 68.868 -0.107 0.000 0.920 216 T HN -0.182 nan 8.240 nan 0.000 0.537 217 V N 3.216 123.179 119.914 0.083 0.000 2.996 217 V HA 0.173 4.336 4.120 0.071 0.000 0.235 217 V C 0.929 177.100 176.094 0.129 0.000 1.205 217 V CA 0.059 62.418 62.300 0.098 0.000 1.225 217 V CB 0.193 32.091 31.823 0.126 0.000 0.995 217 V HN 0.720 nan 8.190 nan 0.000 0.484 218 I N 2.759 123.439 120.570 0.182 0.000 2.668 218 I HA 0.019 4.231 4.170 0.071 0.000 0.285 218 I C 1.114 177.369 176.117 0.230 0.000 1.168 218 I CA 0.672 62.084 61.300 0.187 0.000 1.424 218 I CB 0.185 38.291 38.000 0.176 0.000 1.377 218 I HN 0.327 nan 8.210 nan 0.000 0.560 219 N N 4.402 123.195 118.700 0.155 0.000 2.415 219 N HA -0.022 4.761 4.740 0.071 0.000 0.176 219 N C 0.446 176.074 175.510 0.197 0.000 1.042 219 N CA 0.482 53.623 53.050 0.152 0.000 0.902 219 N CB 0.639 39.174 38.487 0.079 0.000 0.986 219 N HN 0.671 nan 8.380 nan 0.000 0.447 220 Q N 0.418 120.297 119.800 0.131 0.000 2.320 220 Q HA 0.384 4.767 4.340 0.071 0.000 0.272 220 Q C -2.175 173.781 176.000 -0.074 0.000 1.023 220 Q CA -0.423 55.413 55.803 0.055 0.000 0.855 220 Q CB 2.231 30.988 28.738 0.032 0.000 1.367 220 Q HN -0.121 nan 8.270 nan 0.000 0.406 221 V N 2.767 122.567 119.914 -0.189 0.000 2.656 221 V HA 0.706 4.868 4.120 0.071 0.000 0.307 221 V C -1.246 174.695 176.094 -0.256 0.000 1.051 221 V CA -0.077 62.045 62.300 -0.296 0.000 0.893 221 V CB 2.431 33.961 31.823 -0.487 0.000 0.999 221 V HN 0.915 nan 8.190 nan 0.000 0.426 222 T N 6.496 120.885 114.554 -0.275 0.000 2.797 222 T HA 0.570 4.962 4.350 0.071 0.000 0.279 222 T C -1.285 173.228 174.700 -0.312 0.000 0.991 222 T CA 0.086 62.072 62.100 -0.189 0.000 0.979 222 T CB 0.862 69.662 68.868 -0.114 0.000 0.943 222 T HN 0.548 nan 8.240 nan 0.000 0.444 223 Y N 2.673 122.905 120.300 -0.113 0.000 2.331 223 Y HA 0.506 5.097 4.550 0.068 0.000 0.338 223 Y C 0.204 176.052 175.900 -0.087 0.000 0.976 223 Y CA -0.867 57.164 58.100 -0.115 0.000 1.137 223 Y CB 0.841 39.210 38.460 -0.153 0.000 1.172 223 Y HN 0.394 nan 8.280 nan 0.000 0.478 224 L N 6.290 127.538 121.223 0.043 0.000 2.360 224 L HA 0.471 4.854 4.340 0.071 0.000 0.271 224 L C -1.949 174.916 176.870 -0.008 0.000 1.057 224 L CA -1.927 52.922 54.840 0.015 0.000 0.803 224 L CB 1.829 43.884 42.059 -0.008 0.000 1.207 224 L HN 0.429 nan 8.230 nan 0.000 0.445 225 P HA 0.253 nan 4.420 nan 0.000 0.253 225 P C -0.330 176.927 177.300 -0.072 0.000 1.863 225 P CA -0.104 62.962 63.100 -0.056 0.000 1.145 225 P CB -0.002 31.699 31.700 0.001 0.000 1.666 226 I N 1.319 121.843 120.570 -0.076 0.000 2.363 226 I HA 0.020 4.232 4.170 0.071 0.000 0.292 226 I C 1.607 177.667 176.117 -0.095 0.000 1.075 226 I CA 0.131 61.396 61.300 -0.060 0.000 1.333 226 I CB 0.792 38.775 38.000 -0.030 0.000 1.415 226 I HN 0.047 nan 8.210 nan 0.000 0.502 227 S N 2.236 117.888 115.700 -0.079 0.000 2.593 227 S HA -0.000 4.513 4.470 0.071 0.000 0.217 227 S C 0.912 175.482 174.600 -0.050 0.000 0.966 227 S CA -0.425 57.720 58.200 -0.091 0.000 0.914 227 S CB 0.088 63.248 63.200 -0.066 0.000 0.776 227 S HN 0.587 nan 8.310 nan 0.000 0.523 228 S N 1.361 117.043 115.700 -0.030 0.000 2.416 228 S HA 0.255 4.767 4.470 0.071 0.000 0.287 228 S C 0.694 175.284 174.600 -0.017 0.000 1.139 228 S CA -0.562 57.628 58.200 -0.017 0.000 1.058 228 S CB 0.602 63.800 63.200 -0.004 0.000 0.967 228 S HN 0.335 nan 8.310 nan 0.000 0.495 229 E N 3.569 123.755 120.200 -0.024 0.000 2.153 229 E HA -0.099 4.294 4.350 0.071 0.000 0.194 229 E C 1.876 178.470 176.600 -0.009 0.000 0.988 229 E CA 1.070 57.462 56.400 -0.014 0.000 0.811 229 E CB -0.231 29.451 29.700 -0.030 0.000 0.746 229 E HN 0.568 nan 8.360 nan 0.000 0.466 230 V N 0.736 120.645 119.914 -0.008 0.000 2.343 230 V HA -0.263 3.900 4.120 0.071 0.000 0.247 230 V C 2.069 178.167 176.094 0.007 0.000 1.051 230 V CA 2.216 64.516 62.300 -0.001 0.000 1.036 230 V CB -0.789 31.034 31.823 -0.000 0.000 0.654 230 V HN 0.352 nan 8.190 nan 0.000 0.451 231 T N -0.520 114.037 114.554 0.006 0.000 2.821 231 T HA -0.185 4.207 4.350 0.071 0.000 0.267 231 T C 1.751 176.463 174.700 0.019 0.000 1.046 231 T CA 1.572 63.678 62.100 0.011 0.000 1.139 231 T CB -0.328 68.544 68.868 0.006 0.000 0.871 231 T HN 0.542 nan 8.240 nan 0.000 0.454 232 D N 1.167 121.576 120.400 0.015 0.000 2.097 232 D HA -0.072 4.611 4.640 0.071 0.000 0.197 232 D C 2.162 178.488 176.300 0.044 0.000 0.984 232 D CA 0.666 54.682 54.000 0.026 0.000 0.826 232 D CB -0.461 40.349 40.800 0.017 0.000 0.973 232 D HN 0.175 nan 8.370 nan 0.000 0.460 233 V N 1.134 121.057 119.914 0.014 0.000 2.332 233 V HA -0.244 3.919 4.120 0.071 0.000 0.248 233 V C 2.226 178.369 176.094 0.082 0.000 1.055 233 V CA 1.808 64.113 62.300 0.009 0.000 1.038 233 V CB -0.646 31.164 31.823 -0.022 0.000 0.651 233 V HN 0.258 nan 8.190 nan 0.000 0.450 234 N N 0.442 119.175 118.700 0.055 0.000 2.120 234 N HA -0.132 4.650 4.740 0.071 0.000 0.188 234 N C 1.908 177.458 175.510 0.067 0.000 1.024 234 N CA 1.360 54.442 53.050 0.053 0.000 0.852 234 N CB -0.331 38.175 38.487 0.031 0.000 1.003 234 N HN 0.508 nan 8.380 nan 0.000 0.424 235 R N -0.794 119.747 120.500 0.069 0.000 2.240 235 R HA 0.009 4.391 4.340 0.071 0.000 0.203 235 R C 1.700 178.047 176.300 0.077 0.000 1.011 235 R CA 0.137 56.271 56.100 0.057 0.000 1.007 235 R CB -0.177 30.145 30.300 0.037 0.000 0.911 235 R HN 0.325 nan 8.270 nan 0.000 0.468 236 Y N 1.801 122.087 120.300 -0.024 0.000 2.130 236 Y HA -0.113 4.478 4.550 0.068 0.000 0.287 236 Y C 2.112 177.996 175.900 -0.026 0.000 1.124 236 Y CA 1.370 59.447 58.100 -0.039 0.000 1.118 236 Y CB 0.036 38.456 38.460 -0.065 0.000 0.994 236 Y HN -0.226 nan 8.280 nan 0.000 0.497 237 R N 0.034 120.665 120.500 0.219 0.000 2.193 237 R HA -0.122 4.260 4.340 0.071 0.000 0.229 237 R C 2.437 178.743 176.300 0.011 0.000 1.110 237 R CA 1.291 57.450 56.100 0.098 0.000 0.988 237 R CB -0.471 29.908 30.300 0.131 0.000 0.871 237 R HN 0.510 nan 8.270 nan 0.000 0.458 238 S N -1.140 114.569 115.700 0.015 0.000 2.522 238 S HA 0.044 4.557 4.470 0.071 0.000 0.227 238 S C 1.458 176.053 174.600 -0.009 0.000 0.986 238 S CA 0.846 59.049 58.200 0.006 0.000 0.929 238 S CB 0.543 63.750 63.200 0.013 0.000 0.769 238 S HN 0.503 nan 8.310 nan 0.000 0.529 239 G N 0.924 109.699 108.800 -0.043 0.000 2.259 239 G HA2 -0.281 3.722 3.960 0.071 0.000 0.217 239 G HA3 -0.281 3.722 3.960 0.071 0.000 0.217 239 G C 0.699 175.595 174.900 -0.007 0.000 1.001 239 G CA 0.440 45.533 45.100 -0.013 0.000 0.627 239 G HN 0.510 nan 8.290 nan 0.000 0.501 240 E N 0.066 120.258 120.200 -0.013 0.000 2.072 240 E HA 0.091 4.484 4.350 0.071 0.000 0.191 240 E C 0.895 177.488 176.600 -0.012 0.000 0.985 240 E CA 0.502 56.898 56.400 -0.006 0.000 0.801 240 E CB -0.037 29.663 29.700 -0.001 0.000 0.750 240 E HN 0.597 nan 8.360 nan 0.000 0.452 241 I N 1.736 122.295 120.570 -0.019 0.000 2.353 241 I HA 0.026 4.239 4.170 0.071 0.000 0.293 241 I C 0.489 176.577 176.117 -0.049 0.000 0.992 241 I CA -0.455 60.844 61.300 -0.001 0.000 1.268 241 I CB 1.427 39.472 38.000 0.075 0.000 1.387 241 I HN 0.033 nan 8.210 nan 0.000 0.478 242 D N 5.505 125.883 120.400 -0.036 0.000 2.262 242 D HA 0.132 4.814 4.640 0.071 0.000 0.212 242 D C 0.200 176.495 176.300 -0.009 0.000 0.964 242 D CA 1.307 55.258 54.000 -0.081 0.000 0.875 242 D CB 0.500 41.272 40.800 -0.047 0.000 0.996 242 D HN 0.414 nan 8.370 nan 0.000 0.497 243 M N 0.898 120.492 119.600 -0.010 0.000 2.204 243 M HA 0.184 4.707 4.480 0.071 0.000 0.293 243 M C 0.018 176.285 176.300 -0.056 0.000 0.994 243 M CA -0.513 54.740 55.300 -0.077 0.000 0.925 243 M CB 2.501 34.963 32.600 -0.230 0.000 1.577 243 M HN -0.217 nan 8.290 nan 0.000 0.439 244 T N -0.739 113.753 114.554 -0.105 0.000 2.689 244 T HA 0.259 4.651 4.350 0.071 0.000 0.308 244 T C -0.247 174.428 174.700 -0.042 0.000 1.021 244 T CA -0.206 61.853 62.100 -0.068 0.000 0.973 244 T CB 0.757 69.536 68.868 -0.147 0.000 1.113 244 T HN 0.507 nan 8.240 nan 0.000 0.522 245 Y N 1.804 122.039 120.300 -0.108 0.000 2.314 245 Y HA 0.289 4.883 4.550 0.074 0.000 0.334 245 Y C 0.819 176.662 175.900 -0.095 0.000 1.266 245 Y CA -1.025 57.017 58.100 -0.096 0.000 1.391 245 Y CB 0.581 38.990 38.460 -0.085 0.000 1.306 245 Y HN 0.785 nan 8.280 nan 0.000 0.558 246 N N 3.355 121.616 118.700 -0.733 0.000 3.322 246 N HA 0.158 4.941 4.740 0.071 0.000 0.290 246 N C -1.794 173.530 175.510 -0.310 0.000 1.297 246 N CA -0.251 52.531 53.050 -0.446 0.000 1.167 246 N CB -0.558 37.674 38.487 -0.424 0.000 1.434 246 N HN 0.436 nan 8.380 nan 0.000 0.526 247 N N 1.195 119.822 118.700 -0.122 0.000 2.500 247 N HA 0.290 5.073 4.740 0.071 0.000 0.291 247 N C -1.018 174.474 175.510 -0.030 0.000 1.092 247 N CA -0.263 52.802 53.050 0.025 0.000 0.890 247 N CB 1.406 39.981 38.487 0.147 0.000 1.466 247 N HN 0.268 nan 8.380 nan 0.000 0.507 248 M N 2.677 122.221 119.600 -0.094 0.000 2.363 248 M HA 0.476 4.998 4.480 0.071 0.000 0.343 248 M C -2.283 173.950 176.300 -0.112 0.000 1.165 248 M CA -1.939 53.299 55.300 -0.104 0.000 1.046 248 M CB 1.712 34.202 32.600 -0.184 0.000 1.648 248 M HN 0.195 nan 8.290 nan 0.000 0.452 249 P HA 0.243 nan 4.420 nan 0.000 0.279 249 P C 0.517 177.802 177.300 -0.024 0.000 1.239 249 P CA -0.189 62.885 63.100 -0.043 0.000 0.789 249 P CB 1.056 32.748 31.700 -0.014 0.000 0.933 250 I N 1.474 122.013 120.570 -0.050 0.000 2.493 250 I HA -0.222 3.990 4.170 0.071 0.000 0.254 250 I C 1.827 177.944 176.117 -0.001 0.000 1.160 250 I CA 1.411 62.688 61.300 -0.037 0.000 1.445 250 I CB -0.441 37.520 38.000 -0.064 0.000 1.086 250 I HN 0.340 nan 8.210 nan 0.000 0.433 251 E N 0.853 121.051 120.200 -0.002 0.000 2.150 251 E HA -0.108 4.285 4.350 0.071 0.000 0.193 251 E C 1.883 178.492 176.600 0.014 0.000 0.985 251 E CA 1.155 57.556 56.400 0.002 0.000 0.814 251 E CB 0.055 29.754 29.700 -0.002 0.000 0.752 251 E HN 0.468 nan 8.360 nan 0.000 0.466 252 L N -1.554 119.688 121.223 0.032 0.000 2.840 252 L HA 0.220 4.603 4.340 0.071 0.000 0.249 252 L C 1.502 178.400 176.870 0.046 0.000 1.119 252 L CA -0.289 54.567 54.840 0.026 0.000 0.930 252 L CB 0.027 42.094 42.059 0.013 0.000 1.295 252 L HN 0.048 nan 8.230 nan 0.000 0.534 253 F N 1.956 121.864 119.950 -0.069 0.000 2.043 253 F HA -0.283 4.285 4.527 0.068 0.000 0.297 253 F C 2.664 178.423 175.800 -0.070 0.000 1.121 253 F CA 1.888 59.841 58.000 -0.079 0.000 1.199 253 F CB 0.012 38.959 39.000 -0.088 0.000 0.968 253 F HN 0.034 nan 8.300 nan 0.000 0.478 254 Q N 0.851 120.653 119.800 0.004 0.000 2.062 254 Q HA -0.250 4.133 4.340 0.071 0.000 0.209 254 Q C 2.273 178.171 176.000 -0.170 0.000 0.996 254 Q CA 1.718 57.455 55.803 -0.111 0.000 0.859 254 Q CB -0.888 27.841 28.738 -0.014 0.000 0.920 254 Q HN 0.378 nan 8.270 nan 0.000 0.415 255 K N 0.575 120.910 120.400 -0.108 0.000 2.059 255 K HA -0.122 4.241 4.320 0.071 0.000 0.212 255 K C 2.293 178.806 176.600 -0.145 0.000 1.050 255 K CA 1.008 57.235 56.287 -0.100 0.000 0.927 255 K CB -0.488 31.976 32.500 -0.060 0.000 0.714 255 K HN 0.260 nan 8.250 nan 0.000 0.447 256 L N 0.564 121.668 121.223 -0.199 0.000 2.046 256 L HA -0.199 4.184 4.340 0.071 0.000 0.208 256 L C 2.620 179.316 176.870 -0.291 0.000 1.077 256 L CA 1.281 55.982 54.840 -0.231 0.000 0.747 256 L CB -0.429 41.472 42.059 -0.263 0.000 0.896 256 L HN 0.175 nan 8.230 nan 0.000 0.432 257 K N 0.110 120.253 120.400 -0.429 0.000 2.044 257 K HA -0.209 4.153 4.320 0.071 0.000 0.210 257 K C 2.182 178.654 176.600 -0.214 0.000 1.049 257 K CA 1.427 57.482 56.287 -0.387 0.000 0.927 257 K CB 0.165 32.396 32.500 -0.448 0.000 0.713 257 K HN 0.054 nan 8.250 nan 0.000 0.443 258 K N 0.476 120.774 120.400 -0.170 0.000 2.137 258 K HA -0.038 4.325 4.320 0.071 0.000 0.202 258 K C 1.978 178.524 176.600 -0.091 0.000 1.052 258 K CA 1.292 57.513 56.287 -0.110 0.000 0.961 258 K CB -0.016 32.433 32.500 -0.086 0.000 0.741 258 K HN 0.326 nan 8.250 nan 0.000 0.452 259 E N 0.591 120.736 120.200 -0.093 0.000 2.076 259 E HA -0.019 4.373 4.350 0.071 0.000 0.190 259 E C 0.833 177.396 176.600 -0.061 0.000 0.979 259 E CA 0.809 57.170 56.400 -0.066 0.000 0.807 259 E CB 0.148 29.815 29.700 -0.055 0.000 0.761 259 E HN 0.332 nan 8.360 nan 0.000 0.454 260 I N -2.719 117.802 120.570 -0.082 0.000 2.956 260 I HA 0.269 4.482 4.170 0.071 0.000 0.311 260 I C -2.328 173.733 176.117 -0.094 0.000 1.436 260 I CA -1.816 59.442 61.300 -0.069 0.000 0.872 260 I CB 1.162 39.136 38.000 -0.043 0.000 2.099 260 I HN -0.226 nan 8.210 nan 0.000 0.624 261 P HA -0.202 nan 4.420 nan 0.000 0.216 261 P C 0.943 178.195 177.300 -0.081 0.000 1.157 261 P CA 1.659 64.701 63.100 -0.096 0.000 0.880 261 P CB 0.044 31.699 31.700 -0.075 0.000 0.791 262 N N 0.013 118.675 118.700 -0.064 0.000 2.244 262 N HA -0.123 4.660 4.740 0.071 0.000 0.183 262 N C 1.582 177.051 175.510 -0.069 0.000 1.016 262 N CA 1.028 54.045 53.050 -0.056 0.000 0.866 262 N CB -0.443 38.016 38.487 -0.045 0.000 0.980 262 N HN 0.435 nan 8.380 nan 0.000 0.430 263 E N 0.099 120.250 120.200 -0.082 0.000 2.481 263 E HA 0.062 4.454 4.350 0.071 0.000 0.195 263 E C -0.194 176.331 176.600 -0.125 0.000 1.047 263 E CA 0.017 56.360 56.400 -0.096 0.000 0.867 263 E CB 0.571 30.240 29.700 -0.053 0.000 0.858 263 E HN -0.010 nan 8.360 nan 0.000 0.513 264 V N 3.477 123.320 119.914 -0.118 0.000 2.353 264 V HA 0.118 4.280 4.120 0.071 0.000 0.264 264 V C 0.123 176.185 176.094 -0.052 0.000 1.049 264 V CA -0.352 61.879 62.300 -0.116 0.000 0.896 264 V CB 0.449 32.175 31.823 -0.162 0.000 1.025 264 V HN 0.111 nan 8.190 nan 0.000 0.475 265 R N 4.087 124.566 120.500 -0.034 0.000 2.221 265 R HA 0.519 4.902 4.340 0.071 0.000 0.327 265 R C -0.891 175.431 176.300 0.037 0.000 1.033 265 R CA -0.416 55.698 56.100 0.023 0.000 0.887 265 R CB 1.574 31.938 30.300 0.106 0.000 1.057 265 R HN 0.429 nan 8.270 nan 0.000 0.455 266 V N 4.502 124.437 119.914 0.035 0.000 2.357 266 V HA 0.306 4.468 4.120 0.071 0.000 0.281 266 V C -0.314 175.789 176.094 0.015 0.000 1.015 266 V CA -0.625 61.700 62.300 0.042 0.000 0.827 266 V CB 1.569 33.439 31.823 0.078 0.000 1.018 266 V HN 0.664 nan 8.190 nan 0.000 0.432 267 D N 4.687 125.087 120.400 -0.000 0.000 2.531 267 D HA 0.487 5.169 4.640 0.071 0.000 0.244 267 D C -2.875 173.436 176.300 0.018 0.000 1.090 267 D CA -1.522 52.469 54.000 -0.016 0.000 0.989 267 D CB 2.873 43.637 40.800 -0.059 0.000 1.433 267 D HN 0.173 nan 8.370 nan 0.000 0.492 268 P HA 0.102 nan 4.420 nan 0.000 0.268 268 P C -1.000 176.451 177.300 0.251 0.000 1.205 268 P CA 0.210 63.353 63.100 0.071 0.000 0.771 268 P CB 0.256 31.961 31.700 0.009 0.000 0.858 269 Y N 1.976 122.408 120.300 0.220 0.000 2.442 269 Y HA 0.323 4.917 4.550 0.074 0.000 0.330 269 Y C -0.996 175.087 175.900 0.305 0.000 1.100 269 Y CA -1.203 57.021 58.100 0.206 0.000 1.034 269 Y CB 1.326 39.881 38.460 0.157 0.000 1.285 269 Y HN 0.148 nan 8.280 nan 0.000 0.440 270 L N 5.992 127.310 121.223 0.158 0.000 2.648 270 L HA 0.338 4.720 4.340 0.071 0.000 0.238 270 L C -0.881 175.916 176.870 -0.123 0.000 1.316 270 L CA 0.137 54.927 54.840 -0.084 0.000 1.241 270 L CB -0.616 41.373 42.059 -0.118 0.000 1.499 270 L HN 0.535 nan 8.230 nan 0.000 0.411 271 c N -0.854 117.650 118.600 -0.160 0.000 2.802 271 c HA 0.734 5.346 4.570 0.071 0.000 0.307 271 c C 0.367 174.637 174.090 0.300 0.000 1.222 271 c CA -0.685 55.561 56.329 -0.138 0.000 1.580 271 c CB 2.062 44.009 42.510 -0.939 0.000 2.119 271 c HN 0.430 nan 8.230 nan 0.000 0.479 272 T N 1.076 115.902 114.554 0.454 0.000 2.848 272 T HA 0.431 4.824 4.350 0.071 0.000 0.285 272 T C -1.362 173.702 174.700 0.606 0.000 0.995 272 T CA -0.202 62.217 62.100 0.531 0.000 0.970 272 T CB 0.927 70.068 68.868 0.456 0.000 0.976 272 T HN 0.558 nan 8.240 nan 0.000 0.441 273 Y N 4.563 124.938 120.300 0.125 0.000 2.328 273 Y HA 0.564 5.156 4.550 0.070 0.000 0.337 273 Y C -0.933 174.888 175.900 -0.131 0.000 1.008 273 Y CA -0.828 57.140 58.100 -0.220 0.000 1.129 273 Y CB 0.486 38.222 38.460 -1.206 0.000 1.185 273 Y HN 0.699 nan 8.280 nan 0.000 0.476 274 Y N 2.426 122.581 120.300 -0.243 0.000 2.625 274 Y HA 0.577 5.169 4.550 0.070 0.000 0.338 274 Y C -2.323 173.337 175.900 -0.399 0.000 1.123 274 Y CA -2.445 55.561 58.100 -0.158 0.000 1.046 274 Y CB 0.616 39.060 38.460 -0.025 0.000 1.299 274 Y HN 0.412 nan 8.280 nan 0.000 0.464 275 Y N 1.323 121.709 120.300 0.143 0.000 2.434 275 Y HA 0.286 4.879 4.550 0.072 0.000 0.341 275 Y C 0.334 176.303 175.900 0.115 0.000 0.965 275 Y CA -0.783 57.367 58.100 0.083 0.000 1.205 275 Y CB 1.203 39.807 38.460 0.240 0.000 1.121 275 Y HN 0.704 nan 8.280 nan 0.000 0.507 276 E N 4.512 124.760 120.200 0.081 0.000 2.324 276 E HA 0.216 4.608 4.350 0.071 0.000 0.271 276 E C -0.855 175.842 176.600 0.161 0.000 1.028 276 E CA -0.148 56.344 56.400 0.152 0.000 0.890 276 E CB 0.512 30.233 29.700 0.034 0.000 1.004 276 E HN 0.605 nan 8.360 nan 0.000 0.431 277 I N 4.091 124.692 120.570 0.051 0.000 2.428 277 I HA 0.083 4.296 4.170 0.071 0.000 0.296 277 I C 0.395 176.402 176.117 -0.183 0.000 0.985 277 I CA -0.828 60.390 61.300 -0.136 0.000 1.260 277 I CB 1.180 39.094 38.000 -0.144 0.000 1.389 277 I HN 0.518 nan 8.210 nan 0.000 0.484 278 N N 4.701 123.083 118.700 -0.529 0.000 2.421 278 N HA 0.046 4.828 4.740 0.071 0.000 0.260 278 N C 0.415 175.779 175.510 -0.243 0.000 1.173 278 N CA 0.168 52.853 53.050 -0.609 0.000 0.960 278 N CB 0.094 37.803 38.487 -1.295 0.000 1.273 278 N HN 0.424 nan 8.380 nan 0.000 0.497 279 N N 1.663 120.325 118.700 -0.064 0.000 2.453 279 N HA -0.169 4.614 4.740 0.071 0.000 0.183 279 N C 0.954 176.462 175.510 -0.004 0.000 1.041 279 N CA 0.842 53.900 53.050 0.013 0.000 0.900 279 N CB 0.057 38.609 38.487 0.107 0.000 0.961 279 N HN 0.752 nan 8.380 nan 0.000 0.443 280 Q N -0.433 119.340 119.800 -0.044 0.000 2.246 280 Q HA 0.145 4.527 4.340 0.071 0.000 0.202 280 Q C -0.131 175.826 176.000 -0.073 0.000 0.883 280 Q CA -0.002 55.771 55.803 -0.050 0.000 0.952 280 Q CB 0.285 29.000 28.738 -0.038 0.000 1.078 280 Q HN 0.041 nan 8.270 nan 0.000 0.493 281 K N 0.973 121.329 120.400 -0.073 0.000 2.244 281 K HA 0.602 4.964 4.320 0.071 0.000 0.260 281 K C -0.979 175.631 176.600 0.016 0.000 0.951 281 K CA -0.525 55.737 56.287 -0.042 0.000 0.826 281 K CB 1.661 34.115 32.500 -0.077 0.000 1.108 281 K HN 0.206 nan 8.250 nan 0.000 0.433 282 A N 4.350 127.156 122.820 -0.024 0.000 2.462 282 A HA 0.264 4.627 4.320 0.071 0.000 0.243 282 A C -1.823 175.681 177.584 -0.134 0.000 1.076 282 A CA -1.021 50.972 52.037 -0.075 0.000 0.773 282 A CB -0.037 18.928 19.000 -0.059 0.000 1.010 282 A HN 0.743 nan 8.150 nan 0.000 0.493 283 P HA 0.175 nan 4.420 nan 0.000 0.258 283 P C -0.047 176.956 177.300 -0.494 0.000 1.416 283 P CA 0.207 63.080 63.100 -0.377 0.000 0.927 283 P CB -0.075 31.445 31.700 -0.299 0.000 1.444 284 F N 1.344 121.207 119.950 -0.145 0.000 2.811 284 F HA 0.038 4.608 4.527 0.072 0.000 0.301 284 F C 1.796 177.519 175.800 -0.129 0.000 1.151 284 F CA 0.269 58.157 58.000 -0.187 0.000 1.412 284 F CB -0.825 38.013 39.000 -0.269 0.000 1.113 284 F HN 0.035 nan 8.300 nan 0.000 0.579 285 N N -0.742 117.961 118.700 0.005 0.000 2.398 285 N HA -0.086 4.697 4.740 0.071 0.000 0.188 285 N C -0.318 175.182 175.510 -0.018 0.000 1.122 285 N CA 0.326 53.373 53.050 -0.005 0.000 0.866 285 N CB -0.395 38.080 38.487 -0.019 0.000 0.970 285 N HN 0.088 nan 8.380 nan 0.000 0.462 286 D N 0.564 120.943 120.400 -0.036 0.000 2.412 286 D HA 0.060 4.742 4.640 0.071 0.000 0.224 286 D C 0.955 177.240 176.300 -0.024 0.000 1.093 286 D CA -0.569 53.413 54.000 -0.031 0.000 0.850 286 D CB 1.769 42.545 40.800 -0.039 0.000 1.046 286 D HN -0.164 nan 8.370 nan 0.000 0.507 287 V N 5.747 125.656 119.914 -0.007 0.000 2.439 287 V HA -0.292 3.871 4.120 0.071 0.000 0.253 287 V C 2.182 178.265 176.094 -0.018 0.000 1.074 287 V CA 2.007 64.305 62.300 -0.004 0.000 1.076 287 V CB -0.176 31.655 31.823 0.013 0.000 0.664 287 V HN 0.553 nan 8.190 nan 0.000 0.461 288 R N -0.956 119.535 120.500 -0.013 0.000 2.081 288 R HA -0.125 4.257 4.340 0.071 0.000 0.235 288 R C 2.162 178.437 176.300 -0.042 0.000 1.131 288 R CA 1.700 57.792 56.100 -0.013 0.000 0.960 288 R CB -0.564 29.741 30.300 0.008 0.000 0.856 288 R HN 0.499 nan 8.270 nan 0.000 0.436 289 V N 1.141 121.016 119.914 -0.066 0.000 2.307 289 V HA -0.241 3.922 4.120 0.071 0.000 0.245 289 V C 2.289 178.296 176.094 -0.145 0.000 1.045 289 V CA 1.751 63.962 62.300 -0.148 0.000 1.024 289 V CB -0.462 31.211 31.823 -0.250 0.000 0.651 289 V HN 0.324 nan 8.190 nan 0.000 0.449 290 R N -0.103 120.345 120.500 -0.088 0.000 2.096 290 R HA -0.136 4.247 4.340 0.071 0.000 0.235 290 R C 2.289 178.531 176.300 -0.095 0.000 1.127 290 R CA 1.901 57.958 56.100 -0.072 0.000 0.968 290 R CB -0.871 29.409 30.300 -0.034 0.000 0.861 290 R HN 0.504 nan 8.270 nan 0.000 0.440 291 T N 1.082 115.580 114.554 -0.093 0.000 2.821 291 T HA -0.058 4.334 4.350 0.071 0.000 0.267 291 T C 2.039 176.664 174.700 -0.124 0.000 1.046 291 T CA 1.190 63.215 62.100 -0.125 0.000 1.139 291 T CB -0.174 68.639 68.868 -0.090 0.000 0.871 291 T HN 0.365 nan 8.240 nan 0.000 0.454 292 A N 1.526 124.286 122.820 -0.101 0.000 1.883 292 A HA -0.017 4.346 4.320 0.071 0.000 0.217 292 A C 2.279 179.802 177.584 -0.102 0.000 1.186 292 A CA 1.284 53.268 52.037 -0.089 0.000 0.624 292 A CB -0.888 18.047 19.000 -0.108 0.000 0.822 292 A HN 0.476 nan 8.150 nan 0.000 0.444 293 L N -0.768 120.346 121.223 -0.182 0.000 2.141 293 L HA -0.161 4.222 4.340 0.071 0.000 0.209 293 L C 2.609 179.602 176.870 0.205 0.000 1.094 293 L CA 1.755 56.476 54.840 -0.198 0.000 0.763 293 L CB -0.370 41.399 42.059 -0.484 0.000 0.908 293 L HN 0.490 nan 8.230 nan 0.000 0.437 294 K N 0.812 121.233 120.400 0.035 0.000 2.025 294 K HA -0.154 4.209 4.320 0.071 0.000 0.207 294 K C 2.128 178.662 176.600 -0.109 0.000 1.049 294 K CA 1.296 57.566 56.287 -0.028 0.000 0.933 294 K CB -0.042 32.323 32.500 -0.224 0.000 0.714 294 K HN 0.227 nan 8.250 nan 0.000 0.438 295 L N 0.372 121.487 121.223 -0.180 0.000 2.109 295 L HA -0.065 4.317 4.340 0.071 0.000 0.207 295 L C 2.521 179.454 176.870 0.106 0.000 1.086 295 L CA 1.046 55.820 54.840 -0.110 0.000 0.760 295 L CB -0.412 41.591 42.059 -0.092 0.000 0.910 295 L HN 0.271 nan 8.230 nan 0.000 0.437 296 A N -0.267 122.666 122.820 0.188 0.000 2.167 296 A HA 0.019 4.381 4.320 0.071 0.000 0.214 296 A C 1.172 178.950 177.584 0.323 0.000 1.151 296 A CA 0.056 52.256 52.037 0.270 0.000 0.735 296 A CB -0.330 18.847 19.000 0.294 0.000 0.802 296 A HN 0.308 nan 8.150 nan 0.000 0.467 297 L N 0.654 122.085 121.223 0.347 0.000 2.360 297 L HA 0.192 4.575 4.340 0.071 0.000 0.276 297 L C -0.713 176.215 176.870 0.097 0.000 1.121 297 L CA -0.470 54.422 54.840 0.085 0.000 0.845 297 L CB 0.617 42.708 42.059 0.053 0.000 1.143 297 L HN 0.093 nan 8.230 nan 0.000 0.452 298 D N 4.549 124.968 120.400 0.031 0.000 2.428 298 D HA 0.155 4.838 4.640 0.071 0.000 0.221 298 D C 1.016 177.347 176.300 0.050 0.000 1.123 298 D CA -0.194 53.840 54.000 0.058 0.000 0.869 298 D CB 0.987 41.806 40.800 0.033 0.000 1.032 298 D HN 0.554 nan 8.370 nan 0.000 0.506 299 R N 2.211 122.775 120.500 0.106 0.000 2.096 299 R HA -0.125 4.257 4.340 0.071 0.000 0.235 299 R C 1.455 177.793 176.300 0.062 0.000 1.127 299 R CA 1.358 57.529 56.100 0.118 0.000 0.968 299 R CB 0.013 30.447 30.300 0.223 0.000 0.861 299 R HN 0.407 nan 8.270 nan 0.000 0.440 300 D N 0.570 120.993 120.400 0.037 0.000 2.123 300 D HA -0.153 4.530 4.640 0.071 0.000 0.196 300 D C 1.638 177.935 176.300 -0.006 0.000 0.992 300 D CA 1.302 55.307 54.000 0.009 0.000 0.833 300 D CB 0.043 40.841 40.800 -0.004 0.000 0.954 300 D HN 0.154 nan 8.370 nan 0.000 0.455 301 I N 0.017 120.583 120.570 -0.006 0.000 2.142 301 I HA -0.215 3.998 4.170 0.071 0.000 0.240 301 I C 2.452 178.545 176.117 -0.040 0.000 1.078 301 I CA 0.809 62.096 61.300 -0.023 0.000 1.343 301 I CB -0.263 37.723 38.000 -0.023 0.000 1.046 301 I HN 0.106 nan 8.210 nan 0.000 0.405 302 I N 0.089 120.637 120.570 -0.036 0.000 2.127 302 I HA -0.272 3.941 4.170 0.071 0.000 0.241 302 I C 2.450 178.515 176.117 -0.087 0.000 1.075 302 I CA 1.489 62.757 61.300 -0.054 0.000 1.334 302 I CB -0.371 37.613 38.000 -0.026 0.000 1.040 302 I HN 0.039 nan 8.210 nan 0.000 0.405 303 V N 0.868 120.742 119.914 -0.067 0.000 2.346 303 V HA -0.169 3.993 4.120 0.071 0.000 0.244 303 V C 1.954 177.965 176.094 -0.137 0.000 1.037 303 V CA 1.807 64.020 62.300 -0.146 0.000 1.029 303 V CB -0.821 30.950 31.823 -0.087 0.000 0.663 303 V HN 0.419 nan 8.190 nan 0.000 0.454 304 N N 0.245 118.901 118.700 -0.073 0.000 2.333 304 N HA -0.031 4.752 4.740 0.071 0.000 0.178 304 N C 1.693 177.171 175.510 -0.055 0.000 1.018 304 N CA 0.860 53.875 53.050 -0.059 0.000 0.882 304 N CB -0.087 38.383 38.487 -0.029 0.000 0.984 304 N HN 0.513 nan 8.380 nan 0.000 0.434 305 K N 0.559 120.928 120.400 -0.052 0.000 2.172 305 K HA 0.124 4.487 4.320 0.071 0.000 0.203 305 K C 2.082 178.649 176.600 -0.055 0.000 1.040 305 K CA 0.683 56.944 56.287 -0.044 0.000 0.974 305 K CB -0.794 31.686 32.500 -0.033 0.000 0.857 305 K HN 0.121 nan 8.250 nan 0.000 0.464 306 V N 0.590 120.462 119.914 -0.070 0.000 2.535 306 V HA -0.012 4.151 4.120 0.071 0.000 0.246 306 V C 2.192 178.222 176.094 -0.108 0.000 1.045 306 V CA 1.509 63.763 62.300 -0.078 0.000 1.058 306 V CB -0.106 31.671 31.823 -0.076 0.000 0.689 306 V HN 0.205 nan 8.190 nan 0.000 0.461 307 K N 0.333 120.639 120.400 -0.156 0.000 2.161 307 K HA 0.094 4.457 4.320 0.071 0.000 0.205 307 K C 1.016 177.492 176.600 -0.206 0.000 1.035 307 K CA 0.638 56.788 56.287 -0.228 0.000 0.970 307 K CB -0.070 32.212 32.500 -0.364 0.000 0.866 307 K HN 0.587 nan 8.250 nan 0.000 0.461 308 N N 1.433 120.019 118.700 -0.190 0.000 2.669 308 N HA -0.214 4.568 4.740 0.071 0.000 0.266 308 N C -0.755 174.689 175.510 -0.110 0.000 1.024 308 N CA 0.384 53.361 53.050 -0.120 0.000 0.766 308 N CB -0.403 38.055 38.487 -0.048 0.000 0.898 308 N HN 0.448 nan 8.380 nan 0.000 0.548 309 Q N -0.390 119.253 119.800 -0.263 0.000 2.139 309 Q HA 0.244 4.627 4.340 0.071 0.000 0.219 309 Q C 1.216 177.095 176.000 -0.202 0.000 0.805 309 Q CA 0.373 55.944 55.803 -0.386 0.000 1.024 309 Q CB 0.953 29.102 28.738 -0.982 0.000 1.163 309 Q HN 0.610 nan 8.270 nan 0.000 0.485 310 G N 0.936 109.658 108.800 -0.130 0.000 2.163 310 G HA2 -0.164 3.839 3.960 0.071 0.000 0.213 310 G HA3 -0.164 3.839 3.960 0.071 0.000 0.213 310 G C -0.265 174.578 174.900 -0.095 0.000 0.991 310 G CA -0.345 44.714 45.100 -0.068 0.000 0.653 310 G HN 0.284 nan 8.290 nan 0.000 0.518 311 D N 0.024 120.297 120.400 -0.212 0.000 2.344 311 D HA 0.487 5.169 4.640 0.071 0.000 0.244 311 D C 0.358 176.627 176.300 -0.051 0.000 1.134 311 D CA 0.204 54.089 54.000 -0.192 0.000 0.930 311 D CB 1.509 41.908 40.800 -0.669 0.000 1.175 311 D HN 0.153 nan 8.370 nan 0.000 0.437 312 L N 2.054 123.342 121.223 0.109 0.000 2.313 312 L HA 0.292 4.675 4.340 0.071 0.000 0.283 312 L C -2.321 174.658 176.870 0.182 0.000 1.013 312 L CA -1.690 53.265 54.840 0.192 0.000 0.816 312 L CB 1.769 44.006 42.059 0.297 0.000 1.236 312 L HN 0.047 nan 8.230 nan 0.000 0.419 313 P HA 0.009 nan 4.420 nan 0.000 0.263 313 P C -0.987 176.364 177.300 0.085 0.000 1.175 313 P CA 0.161 63.415 63.100 0.257 0.000 0.761 313 P CB 0.569 32.514 31.700 0.408 0.000 0.794 314 A N 3.232 125.939 122.820 -0.188 0.000 2.340 314 A HA 0.593 4.956 4.320 0.071 0.000 0.331 314 A C -0.468 176.929 177.584 -0.312 0.000 1.140 314 A CA -0.387 51.194 52.037 -0.760 0.000 0.801 314 A CB 0.511 18.829 19.000 -1.137 0.000 1.234 314 A HN 0.695 nan 8.150 nan 0.000 0.469 315 Y N -0.098 120.002 120.300 -0.334 0.000 2.610 315 Y HA 0.482 5.075 4.550 0.071 0.000 0.254 315 Y C 0.284 176.171 175.900 -0.021 0.000 1.110 315 Y CA -0.139 57.779 58.100 -0.302 0.000 1.238 315 Y CB -0.409 37.394 38.460 -1.095 0.000 1.322 315 Y HN 0.701 nan 8.280 nan 0.000 0.547 316 S N -1.821 113.775 115.700 -0.174 0.000 2.671 316 S HA 0.348 4.861 4.470 0.071 0.000 0.277 316 S C -0.368 174.253 174.600 0.035 0.000 1.165 316 S CA -0.566 57.618 58.200 -0.026 0.000 0.822 316 S CB 1.425 64.558 63.200 -0.112 0.000 1.150 316 S HN 0.085 nan 8.310 nan 0.000 0.479 317 Y N 2.110 122.322 120.300 -0.145 0.000 2.163 317 Y HA 0.273 4.867 4.550 0.074 0.000 0.288 317 Y C 1.256 177.005 175.900 -0.251 0.000 1.112 317 Y CA 1.213 59.205 58.100 -0.181 0.000 1.104 317 Y CB -0.948 37.387 38.460 -0.208 0.000 1.016 317 Y HN 0.742 nan 8.280 nan 0.000 0.497 318 T N 4.961 119.281 114.554 -0.389 0.000 2.902 318 T HA 0.126 4.519 4.350 0.071 0.000 0.301 318 T C -2.599 171.573 174.700 -0.879 0.000 1.012 318 T CA -0.835 60.672 62.100 -0.988 0.000 1.151 318 T CB 0.723 69.221 68.868 -0.618 0.000 0.946 318 T HN 0.077 nan 8.240 nan 0.000 0.542 319 P HA 0.158 nan 4.420 nan 0.000 0.271 319 P C -1.804 174.877 177.300 -1.031 0.000 1.220 319 P CA -1.583 60.806 63.100 -1.184 0.000 0.768 319 P CB 0.298 31.233 31.700 -1.274 0.000 0.848 320 P HA -0.122 nan 4.420 nan 0.000 0.226 320 P C 0.478 177.643 177.300 -0.224 0.000 1.153 320 P CA 1.317 64.156 63.100 -0.435 0.000 0.777 320 P CB -0.307 31.218 31.700 -0.292 0.000 0.794 321 Y N -2.068 118.040 120.300 -0.321 0.000 2.461 321 Y HA 0.369 4.959 4.550 0.068 0.000 0.277 321 Y C 0.587 176.380 175.900 -0.177 0.000 1.182 321 Y CA -1.130 56.855 58.100 -0.192 0.000 1.276 321 Y CB -1.836 36.537 38.460 -0.145 0.000 1.087 321 Y HN -0.324 nan 8.280 nan 0.000 0.519 322 T N 2.470 116.745 114.554 -0.466 0.000 2.940 322 T HA -0.104 4.289 4.350 0.071 0.000 0.309 322 T C -0.083 174.505 174.700 -0.186 0.000 1.056 322 T CA -0.073 61.805 62.100 -0.371 0.000 1.137 322 T CB 0.211 68.782 68.868 -0.494 0.000 0.976 322 T HN 0.268 nan 8.240 nan 0.000 0.547 323 D N 1.539 121.868 120.400 -0.119 0.000 2.402 323 D HA 0.163 4.845 4.640 0.071 0.000 0.268 323 D C 1.282 177.542 176.300 -0.067 0.000 1.294 323 D CA 1.461 55.428 54.000 -0.054 0.000 0.945 323 D CB -0.309 40.479 40.800 -0.019 0.000 1.112 323 D HN 0.885 nan 8.370 nan 0.000 0.517 324 G N 2.491 111.276 108.800 -0.024 0.000 2.179 324 G HA2 -0.116 3.887 3.960 0.071 0.000 0.220 324 G HA3 -0.116 3.887 3.960 0.071 0.000 0.220 324 G C 0.317 175.236 174.900 0.033 0.000 0.990 324 G CA 0.132 45.247 45.100 0.025 0.000 0.646 324 G HN 0.879 nan 8.290 nan 0.000 0.517 325 A N 0.556 123.343 122.820 -0.056 0.000 2.320 325 A HA 0.711 5.074 4.320 0.071 0.000 0.287 325 A C 0.411 177.979 177.584 -0.027 0.000 1.181 325 A CA 0.063 52.059 52.037 -0.067 0.000 0.831 325 A CB 0.389 19.271 19.000 -0.197 0.000 1.102 325 A HN 0.493 nan 8.150 nan 0.000 0.513 326 K N 4.470 124.874 120.400 0.006 0.000 2.827 326 K HA 0.374 4.737 4.320 0.071 0.000 0.186 326 K C -1.205 175.406 176.600 0.018 0.000 1.093 326 K CA -0.162 56.131 56.287 0.011 0.000 0.993 326 K CB 0.799 33.309 32.500 0.016 0.000 1.199 326 K HN 0.599 nan 8.250 nan 0.000 0.598 327 L N 1.262 122.496 121.223 0.018 0.000 2.375 327 L HA 0.403 4.786 4.340 0.071 0.000 0.271 327 L C 0.258 177.148 176.870 0.034 0.000 1.107 327 L CA -1.315 53.552 54.840 0.044 0.000 0.806 327 L CB 1.352 43.453 42.059 0.070 0.000 1.146 327 L HN 0.104 nan 8.230 nan 0.000 0.447 328 V N 1.874 121.798 119.914 0.016 0.000 2.348 328 V HA 0.086 4.249 4.120 0.071 0.000 0.270 328 V C 0.440 176.446 176.094 -0.148 0.000 1.037 328 V CA -0.503 61.767 62.300 -0.050 0.000 0.872 328 V CB 1.060 32.864 31.823 -0.031 0.000 1.002 328 V HN 0.736 nan 8.190 nan 0.000 0.464 329 E N 8.478 128.474 120.200 -0.339 0.000 2.299 329 E HA 0.176 4.569 4.350 0.071 0.000 0.272 329 E C -2.162 174.130 176.600 -0.514 0.000 1.043 329 E CA -1.446 54.488 56.400 -0.778 0.000 0.895 329 E CB 1.017 30.166 29.700 -0.919 0.000 1.011 329 E HN 0.440 nan 8.360 nan 0.000 0.432 330 P HA 0.004 nan 4.420 nan 0.000 0.272 330 P C 0.304 177.270 177.300 -0.556 0.000 1.230 330 P CA -0.154 62.658 63.100 -0.480 0.000 0.788 330 P CB 0.798 32.192 31.700 -0.509 0.000 0.949 331 E N 1.106 121.080 120.200 -0.375 0.000 2.110 331 E HA -0.144 4.249 4.350 0.071 0.000 0.193 331 E C 1.894 178.046 176.600 -0.746 0.000 0.988 331 E CA 1.391 57.597 56.400 -0.323 0.000 0.804 331 E CB -0.589 29.086 29.700 -0.042 0.000 0.745 331 E HN 0.703 nan 8.360 nan 0.000 0.458 332 W N -0.195 120.535 121.300 -0.949 0.000 2.392 332 W HA -0.159 4.544 4.660 0.071 0.000 0.279 332 W C 1.715 177.889 176.519 -0.575 0.000 1.225 332 W CA 0.285 56.768 57.345 -1.437 0.000 1.233 332 W CB -1.152 27.720 29.460 -0.980 0.000 1.122 332 W HN -0.051 nan 8.180 nan 0.000 0.561 333 F N 2.942 122.251 119.950 -1.069 0.000 2.234 333 F HA -0.060 4.510 4.527 0.071 0.000 0.299 333 F C 2.148 177.791 175.800 -0.262 0.000 1.087 333 F CA 1.815 59.392 58.000 -0.705 0.000 1.340 333 F CB -0.265 38.169 39.000 -0.944 0.000 1.031 333 F HN -0.247 nan 8.300 nan 0.000 0.500 334 K N -0.897 119.360 120.400 -0.237 0.000 2.365 334 K HA -0.077 4.286 4.320 0.071 0.000 0.197 334 K C 0.344 176.996 176.600 0.087 0.000 1.042 334 K CA 0.166 56.391 56.287 -0.103 0.000 0.987 334 K CB -0.229 32.256 32.500 -0.024 0.000 0.779 334 K HN 0.067 nan 8.250 nan 0.000 0.484 335 W N 2.025 123.328 121.300 0.004 0.000 1.979 335 W HA 0.040 4.743 4.660 0.072 0.000 0.359 335 W C 1.159 177.684 176.519 0.010 0.000 1.354 335 W CA -1.251 56.117 57.345 0.037 0.000 1.359 335 W CB -0.588 28.936 29.460 0.106 0.000 1.248 335 W HN -0.049 nan 8.180 nan 0.000 0.641 336 S N 0.037 115.901 115.700 0.273 0.000 2.614 336 S HA 0.059 4.572 4.470 0.071 0.000 0.265 336 S C 0.747 175.459 174.600 0.187 0.000 1.303 336 S CA -0.367 57.922 58.200 0.148 0.000 1.000 336 S CB 1.308 64.558 63.200 0.083 0.000 0.935 336 S HN 0.394 nan 8.310 nan 0.000 0.551 337 Q N 0.721 120.597 119.800 0.127 0.000 2.172 337 Q HA -0.124 4.259 4.340 0.071 0.000 0.200 337 Q C 2.310 178.391 176.000 0.135 0.000 0.964 337 Q CA 2.147 58.033 55.803 0.138 0.000 0.855 337 Q CB -0.646 28.148 28.738 0.092 0.000 0.918 337 Q HN 0.971 nan 8.270 nan 0.000 0.444 338 Q N -0.092 119.766 119.800 0.096 0.000 2.079 338 Q HA -0.184 4.199 4.340 0.071 0.000 0.200 338 Q C 1.949 177.993 176.000 0.073 0.000 0.974 338 Q CA 2.016 57.862 55.803 0.071 0.000 0.840 338 Q CB -0.395 28.367 28.738 0.041 0.000 0.898 338 Q HN 0.301 nan 8.270 nan 0.000 0.430 339 K N 0.290 120.734 120.400 0.072 0.000 2.057 339 K HA -0.135 4.228 4.320 0.071 0.000 0.207 339 K C 2.297 179.003 176.600 0.176 0.000 1.049 339 K CA 1.168 57.465 56.287 0.018 0.000 0.931 339 K CB -0.028 32.390 32.500 -0.137 0.000 0.714 339 K HN 0.204 nan 8.250 nan 0.000 0.440 340 R N 0.323 121.042 120.500 0.364 0.000 2.081 340 R HA -0.089 4.294 4.340 0.071 0.000 0.235 340 R C 2.073 178.516 176.300 0.239 0.000 1.131 340 R CA 1.664 58.019 56.100 0.424 0.000 0.960 340 R CB -0.307 30.213 30.300 0.366 0.000 0.856 340 R HN 0.289 nan 8.270 nan 0.000 0.436 341 N N 0.491 119.295 118.700 0.173 0.000 2.120 341 N HA -0.149 4.633 4.740 0.071 0.000 0.188 341 N C 1.608 177.176 175.510 0.097 0.000 1.024 341 N CA 1.062 54.187 53.050 0.125 0.000 0.852 341 N CB -0.180 38.370 38.487 0.104 0.000 1.003 341 N HN 0.162 nan 8.380 nan 0.000 0.424 342 E N 0.856 121.103 120.200 0.079 0.000 2.051 342 E HA -0.168 4.225 4.350 0.071 0.000 0.192 342 E C 1.807 178.441 176.600 0.058 0.000 0.991 342 E CA 0.765 57.194 56.400 0.048 0.000 0.799 342 E CB -0.287 29.421 29.700 0.013 0.000 0.748 342 E HN 0.304 nan 8.360 nan 0.000 0.449 343 E N 0.921 121.173 120.200 0.087 0.000 2.070 343 E HA -0.177 4.216 4.350 0.071 0.000 0.197 343 E C 1.858 178.517 176.600 0.098 0.000 1.004 343 E CA 1.679 58.150 56.400 0.119 0.000 0.805 343 E CB -0.416 29.440 29.700 0.260 0.000 0.744 343 E HN 0.203 nan 8.360 nan 0.000 0.451 344 A N 0.772 123.649 122.820 0.095 0.000 1.877 344 A HA -0.240 4.123 4.320 0.071 0.000 0.216 344 A C 2.082 179.686 177.584 0.035 0.000 1.186 344 A CA 2.116 54.184 52.037 0.051 0.000 0.620 344 A CB -0.515 18.518 19.000 0.055 0.000 0.822 344 A HN 0.266 nan 8.150 nan 0.000 0.443 345 K N -0.168 120.259 120.400 0.045 0.000 2.097 345 K HA -0.178 4.185 4.320 0.071 0.000 0.206 345 K C 2.203 178.827 176.600 0.039 0.000 1.049 345 K CA 1.525 57.835 56.287 0.038 0.000 0.933 345 K CB -0.195 32.329 32.500 0.041 0.000 0.717 345 K HN 0.593 nan 8.250 nan 0.000 0.442 346 K N 1.779 122.203 120.400 0.040 0.000 2.026 346 K HA -0.152 4.211 4.320 0.071 0.000 0.208 346 K C 2.079 178.702 176.600 0.039 0.000 1.048 346 K CA 1.220 57.529 56.287 0.037 0.000 0.929 346 K CB -0.143 32.378 32.500 0.036 0.000 0.713 346 K HN 0.060 nan 8.250 nan 0.000 0.439 347 L N 1.117 122.364 121.223 0.040 0.000 2.046 347 L HA -0.180 4.203 4.340 0.071 0.000 0.208 347 L C 2.591 179.490 176.870 0.047 0.000 1.077 347 L CA 0.895 55.756 54.840 0.035 0.000 0.747 347 L CB -0.402 41.672 42.059 0.024 0.000 0.896 347 L HN 0.259 nan 8.230 nan 0.000 0.432 348 L N -0.386 120.867 121.223 0.050 0.000 2.017 348 L HA -0.219 4.164 4.340 0.071 0.000 0.208 348 L C 2.915 179.878 176.870 0.155 0.000 1.073 348 L CA 1.358 56.264 54.840 0.110 0.000 0.745 348 L CB -0.712 41.384 42.059 0.061 0.000 0.894 348 L HN 0.282 nan 8.230 nan 0.000 0.432 349 A N 0.065 122.939 122.820 0.089 0.000 1.908 349 A HA -0.241 4.122 4.320 0.071 0.000 0.218 349 A C 2.044 179.646 177.584 0.030 0.000 1.181 349 A CA 1.781 53.852 52.037 0.058 0.000 0.627 349 A CB -0.509 18.513 19.000 0.036 0.000 0.818 349 A HN 0.512 nan 8.150 nan 0.000 0.445 350 E N -0.268 119.950 120.200 0.030 0.000 2.204 350 E HA -0.112 4.281 4.350 0.071 0.000 0.195 350 E C 1.991 178.592 176.600 0.002 0.000 0.990 350 E CA 0.874 57.282 56.400 0.012 0.000 0.821 350 E CB -0.271 29.439 29.700 0.016 0.000 0.750 350 E HN 0.641 nan 8.360 nan 0.000 0.477 351 A N 0.501 123.346 122.820 0.041 0.000 2.169 351 A HA 0.228 4.591 4.320 0.071 0.000 0.212 351 A C 1.716 179.211 177.584 -0.149 0.000 1.153 351 A CA 0.843 52.900 52.037 0.035 0.000 0.756 351 A CB -0.118 19.002 19.000 0.201 0.000 0.813 351 A HN 0.327 nan 8.150 nan 0.000 0.471 352 G N -2.005 106.701 108.800 -0.157 0.000 2.130 352 G HA2 -0.198 3.805 3.960 0.071 0.000 0.216 352 G HA3 -0.198 3.805 3.960 0.071 0.000 0.216 352 G C -0.212 174.401 174.900 -0.479 0.000 0.999 352 G CA -0.162 44.766 45.100 -0.288 0.000 0.686 352 G HN 0.262 nan 8.290 nan 0.000 0.515 353 F N 2.336 122.258 119.950 -0.047 0.000 2.424 353 F HA 0.570 5.139 4.527 0.071 0.000 0.356 353 F C 1.322 177.105 175.800 -0.028 0.000 1.110 353 F CA 0.458 58.433 58.000 -0.042 0.000 1.161 353 F CB 1.372 40.342 39.000 -0.050 0.000 1.115 353 F HN 0.216 nan 8.300 nan 0.000 0.507 354 T N -0.544 114.062 114.554 0.087 0.000 2.938 354 T HA 0.653 5.045 4.350 0.071 0.000 0.285 354 T C 0.954 175.694 174.700 0.067 0.000 1.028 354 T CA -0.390 61.741 62.100 0.052 0.000 1.005 354 T CB 1.666 70.536 68.868 0.004 0.000 1.157 354 T HN 0.507 nan 8.240 nan 0.000 0.550 355 A N -0.103 122.743 122.820 0.042 0.000 2.014 355 A HA 0.039 4.401 4.320 0.071 0.000 0.218 355 A C 1.900 179.504 177.584 0.033 0.000 1.163 355 A CA 1.687 53.747 52.037 0.039 0.000 0.652 355 A CB -1.073 17.943 19.000 0.027 0.000 0.808 355 A HN 0.958 nan 8.150 nan 0.000 0.449 356 D N -0.005 120.409 120.400 0.024 0.000 2.149 356 D HA -0.072 4.610 4.640 0.071 0.000 0.201 356 D C 0.543 176.858 176.300 0.025 0.000 0.972 356 D CA 1.000 55.011 54.000 0.018 0.000 0.835 356 D CB -0.024 40.779 40.800 0.006 0.000 0.966 356 D HN 0.421 nan 8.370 nan 0.000 0.476 357 K N 1.395 121.816 120.400 0.035 0.000 2.562 357 K HA 0.326 4.689 4.320 0.071 0.000 0.206 357 K C -2.531 174.151 176.600 0.137 0.000 1.033 357 K CA -1.725 54.596 56.287 0.055 0.000 1.029 357 K CB 1.967 34.474 32.500 0.012 0.000 1.393 357 K HN 0.152 nan 8.250 nan 0.000 0.539 358 P HA 0.033 nan 4.420 nan 0.000 0.275 358 P C -0.524 176.892 177.300 0.192 0.000 1.266 358 P CA -0.788 62.402 63.100 0.151 0.000 0.793 358 P CB 0.672 32.408 31.700 0.060 0.000 1.074 359 L N 0.660 121.887 121.223 0.007 0.000 2.260 359 L HA 0.426 4.809 4.340 0.071 0.000 0.289 359 L C -0.697 176.130 176.870 -0.071 0.000 1.057 359 L CA 0.653 55.331 54.840 -0.271 0.000 0.811 359 L CB -0.159 41.354 42.059 -0.910 0.000 1.184 359 L HN 0.234 nan 8.230 nan 0.000 0.429 360 T N 6.819 121.388 114.554 0.025 0.000 2.848 360 T HA 0.769 5.162 4.350 0.071 0.000 0.285 360 T C -0.826 173.961 174.700 0.145 0.000 0.995 360 T CA -0.108 61.984 62.100 -0.012 0.000 0.970 360 T CB 0.906 69.775 68.868 0.001 0.000 0.976 360 T HN 0.541 nan 8.240 nan 0.000 0.441 361 F N -0.394 119.593 119.950 0.061 0.000 2.831 361 F HA 0.768 5.337 4.527 0.071 0.000 0.318 361 F C -1.702 174.161 175.800 0.105 0.000 1.174 361 F CA -1.537 56.540 58.000 0.129 0.000 0.918 361 F CB 0.497 39.679 39.000 0.303 0.000 1.364 361 F HN 0.269 nan 8.300 nan 0.000 0.475 362 D N 1.411 122.062 120.400 0.418 0.000 2.193 362 D HA 0.538 5.220 4.640 0.071 0.000 0.249 362 D C -1.264 175.275 176.300 0.399 0.000 1.034 362 D CA -0.209 53.962 54.000 0.285 0.000 0.902 362 D CB 1.925 42.857 40.800 0.219 0.000 1.182 362 D HN 0.682 nan 8.370 nan 0.000 0.436 363 L N 2.383 123.784 121.223 0.296 0.000 2.377 363 L HA 0.471 4.854 4.340 0.071 0.000 0.270 363 L C -1.892 175.188 176.870 0.351 0.000 0.991 363 L CA -0.954 54.098 54.840 0.354 0.000 0.851 363 L CB 1.004 43.267 42.059 0.342 0.000 1.218 363 L HN 0.311 nan 8.230 nan 0.000 0.420 364 L N 6.503 127.931 121.223 0.343 0.000 2.292 364 L HA 0.668 5.050 4.340 0.071 0.000 0.284 364 L C -0.977 176.133 176.870 0.400 0.000 1.065 364 L CA 0.012 55.034 54.840 0.304 0.000 0.806 364 L CB 0.924 43.127 42.059 0.240 0.000 1.175 364 L HN 0.680 nan 8.230 nan 0.000 0.431 365 Y N 2.654 123.030 120.300 0.126 0.000 2.581 365 Y HA 0.582 5.174 4.550 0.071 0.000 0.345 365 Y C -0.790 174.830 175.900 -0.467 0.000 1.036 365 Y CA -1.583 56.450 58.100 -0.111 0.000 1.042 365 Y CB 0.785 39.255 38.460 0.017 0.000 1.289 365 Y HN 0.705 nan 8.280 nan 0.000 0.471 366 N N 0.870 119.030 118.700 -0.899 0.000 2.458 366 N HA 0.085 4.868 4.740 0.071 0.000 0.270 366 N C -0.635 174.821 175.510 -0.090 0.000 1.102 366 N CA -0.258 52.375 53.050 -0.695 0.000 0.967 366 N CB 1.115 39.189 38.487 -0.688 0.000 1.078 366 N HN 0.805 nan 8.380 nan 0.000 0.471 367 T N 1.488 115.961 114.554 -0.135 0.000 2.658 367 T HA 0.013 4.405 4.350 0.071 0.000 0.252 367 T C 0.268 175.042 174.700 0.123 0.000 1.021 367 T CA 0.741 62.844 62.100 0.005 0.000 1.169 367 T CB -0.407 68.450 68.868 -0.018 0.000 1.015 367 T HN 0.746 nan 8.240 nan 0.000 0.489 368 S N 1.883 117.708 115.700 0.209 0.000 2.606 368 S HA 0.155 4.668 4.470 0.071 0.000 0.290 368 S C 0.344 174.976 174.600 0.054 0.000 1.103 368 S CA -0.847 57.401 58.200 0.079 0.000 0.870 368 S CB 1.149 64.337 63.200 -0.020 0.000 1.077 368 S HN 0.602 nan 8.310 nan 0.000 0.448 369 D N 1.939 122.328 120.400 -0.018 0.000 2.084 369 D HA -0.099 4.584 4.640 0.071 0.000 0.194 369 D C 1.972 178.229 176.300 -0.073 0.000 0.990 369 D CA 1.467 55.451 54.000 -0.026 0.000 0.826 369 D CB -0.075 40.704 40.800 -0.034 0.000 0.971 369 D HN 0.423 nan 8.370 nan 0.000 0.453 370 L N 1.668 122.805 121.223 -0.143 0.000 1.990 370 L HA -0.226 4.156 4.340 0.071 0.000 0.213 370 L C 2.234 179.037 176.870 -0.112 0.000 1.072 370 L CA 1.959 56.693 54.840 -0.177 0.000 0.755 370 L CB -0.979 40.920 42.059 -0.268 0.000 0.889 370 L HN 0.119 nan 8.230 nan 0.000 0.432 371 H N -0.345 118.749 119.070 0.039 0.000 2.423 371 H HA -0.116 4.483 4.556 0.070 0.000 0.297 371 H C 2.205 177.325 175.328 -0.346 0.000 1.075 371 H CA 1.467 57.514 56.048 -0.002 0.000 1.342 371 H CB -0.267 29.572 29.762 0.128 0.000 1.395 371 H HN 0.471 nan 8.280 nan 0.000 0.530 372 K N 1.612 121.842 120.400 -0.283 0.000 2.001 372 K HA -0.129 4.234 4.320 0.071 0.000 0.208 372 K C 1.975 178.429 176.600 -0.244 0.000 1.048 372 K CA 1.144 57.144 56.287 -0.479 0.000 0.932 372 K CB 0.119 32.564 32.500 -0.093 0.000 0.715 372 K HN 0.124 nan 8.250 nan 0.000 0.437 373 K N 0.622 120.947 120.400 -0.126 0.000 2.063 373 K HA -0.137 4.226 4.320 0.071 0.000 0.208 373 K C 2.171 178.719 176.600 -0.087 0.000 1.048 373 K CA 1.649 57.882 56.287 -0.090 0.000 0.928 373 K CB -0.176 32.282 32.500 -0.071 0.000 0.713 373 K HN 0.181 nan 8.250 nan 0.000 0.442 374 L N 0.189 121.376 121.223 -0.060 0.000 2.093 374 L HA -0.131 4.251 4.340 0.071 0.000 0.208 374 L C 2.555 179.413 176.870 -0.021 0.000 1.085 374 L CA 0.929 55.759 54.840 -0.017 0.000 0.755 374 L CB -0.579 41.512 42.059 0.053 0.000 0.904 374 L HN 0.185 nan 8.230 nan 0.000 0.435 375 A N 0.389 123.164 122.820 -0.075 0.000 1.933 375 A HA -0.153 4.210 4.320 0.071 0.000 0.218 375 A C 2.230 179.735 177.584 -0.132 0.000 1.175 375 A CA 1.482 53.447 52.037 -0.120 0.000 0.628 375 A CB -0.575 18.241 19.000 -0.307 0.000 0.814 375 A HN 0.361 nan 8.150 nan 0.000 0.444 376 I N -0.557 119.939 120.570 -0.123 0.000 2.286 376 I HA -0.196 4.017 4.170 0.071 0.000 0.245 376 I C 2.924 178.987 176.117 -0.090 0.000 1.104 376 I CA 0.935 62.184 61.300 -0.086 0.000 1.397 376 I CB -0.257 37.702 38.000 -0.067 0.000 1.072 376 I HN 0.333 nan 8.210 nan 0.000 0.417 377 A N 0.349 123.109 122.820 -0.101 0.000 1.930 377 A HA -0.119 4.243 4.320 0.071 0.000 0.217 377 A C 2.423 179.906 177.584 -0.168 0.000 1.175 377 A CA 1.446 53.419 52.037 -0.108 0.000 0.627 377 A CB -0.858 18.085 19.000 -0.095 0.000 0.815 377 A HN 0.218 nan 8.150 nan 0.000 0.443 378 V N -0.008 119.757 119.914 -0.247 0.000 2.295 378 V HA -0.265 3.898 4.120 0.071 0.000 0.246 378 V C 3.083 178.943 176.094 -0.390 0.000 1.049 378 V CA 1.923 63.926 62.300 -0.496 0.000 1.024 378 V CB -1.351 30.009 31.823 -0.772 0.000 0.648 378 V HN 0.621 nan 8.190 nan 0.000 0.447 379 A N -0.309 122.396 122.820 -0.192 0.000 1.884 379 A HA -0.332 4.031 4.320 0.071 0.000 0.219 379 A C 2.589 180.174 177.584 0.001 0.000 1.197 379 A CA 2.804 54.823 52.037 -0.030 0.000 0.637 379 A CB -1.062 17.919 19.000 -0.032 0.000 0.827 379 A HN 0.530 nan 8.150 nan 0.000 0.450 380 S N -0.550 115.127 115.700 -0.039 0.000 2.348 380 S HA -0.148 4.365 4.470 0.071 0.000 0.221 380 S C 1.940 176.539 174.600 -0.003 0.000 1.033 380 S CA 1.518 59.707 58.200 -0.019 0.000 1.010 380 S CB -0.575 62.605 63.200 -0.035 0.000 0.891 380 S HN 0.461 nan 8.310 nan 0.000 0.442 381 I N 0.070 120.609 120.570 -0.052 0.000 2.127 381 I HA -0.205 4.008 4.170 0.071 0.000 0.241 381 I C 2.317 178.483 176.117 0.082 0.000 1.075 381 I CA 1.444 62.721 61.300 -0.037 0.000 1.334 381 I CB -0.414 37.499 38.000 -0.145 0.000 1.040 381 I HN 0.430 nan 8.210 nan 0.000 0.405 382 W N 1.395 122.683 121.300 -0.020 0.000 2.363 382 W HA -0.190 4.513 4.660 0.072 0.000 0.296 382 W C 2.694 179.201 176.519 -0.019 0.000 1.212 382 W CA 1.168 58.506 57.345 -0.012 0.000 1.260 382 W CB -0.833 28.620 29.460 -0.012 0.000 1.131 382 W HN 0.101 nan 8.180 nan 0.000 0.530 383 K N 1.716 122.233 120.400 0.194 0.000 1.985 383 K HA -0.205 4.158 4.320 0.071 0.000 0.210 383 K C 2.005 178.652 176.600 0.077 0.000 1.047 383 K CA 2.551 58.893 56.287 0.092 0.000 0.932 383 K CB -0.814 31.714 32.500 0.046 0.000 0.716 383 K HN 0.143 nan 8.250 nan 0.000 0.439 384 K N -0.856 119.585 120.400 0.069 0.000 2.296 384 K HA -0.006 4.356 4.320 0.071 0.000 0.200 384 K C 0.963 177.605 176.600 0.069 0.000 1.048 384 K CA 1.235 57.554 56.287 0.054 0.000 0.966 384 K CB -0.061 32.460 32.500 0.036 0.000 0.754 384 K HN 0.031 nan 8.250 nan 0.000 0.466 385 N N 0.459 119.221 118.700 0.104 0.000 2.409 385 N HA 0.003 4.785 4.740 0.071 0.000 0.174 385 N C 1.135 176.708 175.510 0.105 0.000 1.037 385 N CA 0.559 53.674 53.050 0.109 0.000 0.898 385 N CB 0.309 38.880 38.487 0.139 0.000 1.010 385 N HN 0.200 nan 8.380 nan 0.000 0.445 386 L N -1.464 119.826 121.223 0.112 0.000 3.174 386 L HA 0.437 4.820 4.340 0.071 0.000 0.283 386 L C 0.698 177.589 176.870 0.035 0.000 1.187 386 L CA 0.549 55.428 54.840 0.065 0.000 1.018 386 L CB 0.202 42.294 42.059 0.055 0.000 1.433 386 L HN 0.169 nan 8.230 nan 0.000 0.593 387 G N 0.719 109.545 108.800 0.043 0.000 2.147 387 G HA2 -0.201 3.802 3.960 0.071 0.000 0.244 387 G HA3 -0.201 3.802 3.960 0.071 0.000 0.244 387 G C 0.145 175.044 174.900 -0.002 0.000 1.005 387 G CA 0.404 45.518 45.100 0.024 0.000 0.713 387 G HN 0.878 nan 8.290 nan 0.000 0.515 388 V N -2.464 117.440 119.914 -0.015 0.000 2.617 388 V HA 0.771 4.934 4.120 0.071 0.000 0.298 388 V C 0.032 176.066 176.094 -0.100 0.000 1.048 388 V CA -1.646 60.609 62.300 -0.074 0.000 0.964 388 V CB 1.818 33.580 31.823 -0.101 0.000 1.004 388 V HN 0.206 nan 8.190 nan 0.000 0.466 389 N N 2.586 121.187 118.700 -0.165 0.000 2.419 389 N HA 0.597 5.379 4.740 0.071 0.000 0.277 389 N C -1.039 174.242 175.510 -0.381 0.000 1.006 389 N CA -0.274 52.667 53.050 -0.182 0.000 0.923 389 N CB 2.122 40.548 38.487 -0.102 0.000 1.140 389 N HN 0.627 nan 8.380 nan 0.000 0.488 390 V N 2.460 122.189 119.914 -0.307 0.000 2.540 390 V HA 0.325 4.488 4.120 0.071 0.000 0.302 390 V C -0.298 175.699 176.094 -0.161 0.000 1.035 390 V CA -0.888 61.168 62.300 -0.407 0.000 0.873 390 V CB 1.764 33.402 31.823 -0.308 0.000 0.992 390 V HN 0.591 nan 8.190 nan 0.000 0.428 391 N N 3.696 122.336 118.700 -0.101 0.000 2.444 391 N HA 0.557 5.340 4.740 0.071 0.000 0.262 391 N C -1.028 174.531 175.510 0.082 0.000 0.974 391 N CA -0.591 52.464 53.050 0.008 0.000 0.933 391 N CB 1.434 39.938 38.487 0.028 0.000 1.137 391 N HN 0.444 nan 8.380 nan 0.000 0.498 392 L N 2.459 123.748 121.223 0.110 0.000 2.367 392 L HA 0.245 4.627 4.340 0.071 0.000 0.275 392 L C 0.030 177.023 176.870 0.205 0.000 1.129 392 L CA 0.461 55.427 54.840 0.210 0.000 0.839 392 L CB 0.346 42.547 42.059 0.237 0.000 1.133 392 L HN 0.543 nan 8.230 nan 0.000 0.453 393 E N 3.131 123.460 120.200 0.215 0.000 2.275 393 E HA 0.356 4.749 4.350 0.071 0.000 0.270 393 E C -1.179 175.271 176.600 -0.250 0.000 0.882 393 E CA -0.857 55.568 56.400 0.042 0.000 0.758 393 E CB 1.767 31.504 29.700 0.061 0.000 1.195 393 E HN 0.563 nan 8.360 nan 0.000 0.419 394 N N 2.531 120.980 118.700 -0.420 0.000 2.430 394 N HA 0.329 5.112 4.740 0.071 0.000 0.298 394 N C -0.750 174.583 175.510 -0.295 0.000 1.130 394 N CA -0.629 51.976 53.050 -0.742 0.000 0.894 394 N CB 2.163 40.152 38.487 -0.829 0.000 1.209 394 N HN 0.461 nan 8.380 nan 0.000 0.503 395 Q N -0.261 119.403 119.800 -0.227 0.000 2.379 395 Q HA 0.170 4.552 4.340 0.071 0.000 0.278 395 Q C -1.017 174.964 176.000 -0.032 0.000 1.068 395 Q CA -0.771 54.995 55.803 -0.062 0.000 0.816 395 Q CB 2.720 31.483 28.738 0.041 0.000 1.387 395 Q HN 0.669 nan 8.270 nan 0.000 0.413 396 E N 1.679 121.894 120.200 0.026 0.000 2.437 396 E HA -0.147 4.246 4.350 0.071 0.000 0.263 396 E C 0.338 177.049 176.600 0.185 0.000 1.030 396 E CA 0.158 56.608 56.400 0.085 0.000 0.934 396 E CB 0.524 30.274 29.700 0.084 0.000 0.943 396 E HN 0.789 nan 8.360 nan 0.000 0.444 397 W N 4.911 126.216 121.300 0.008 0.000 2.290 397 W HA -0.318 4.386 4.660 0.072 0.000 0.323 397 W C 1.776 178.385 176.519 0.150 0.000 1.260 397 W CA 1.807 59.200 57.345 0.080 0.000 1.266 397 W CB -0.094 29.386 29.460 0.034 0.000 1.149 397 W HN 0.594 nan 8.180 nan 0.000 0.482 398 K N -0.082 120.380 120.400 0.103 0.000 2.032 398 K HA -0.181 4.182 4.320 0.071 0.000 0.209 398 K C 1.850 178.417 176.600 -0.056 0.000 1.048 398 K CA 2.425 58.692 56.287 -0.033 0.000 0.927 398 K CB -0.854 31.683 32.500 0.061 0.000 0.712 398 K HN 0.108 nan 8.250 nan 0.000 0.441 399 T N 1.112 115.674 114.554 0.014 0.000 2.821 399 T HA -0.121 4.272 4.350 0.071 0.000 0.267 399 T C 1.517 176.210 174.700 -0.013 0.000 1.046 399 T CA 1.282 63.384 62.100 0.005 0.000 1.139 399 T CB -0.393 68.494 68.868 0.032 0.000 0.871 399 T HN 0.323 nan 8.240 nan 0.000 0.454 400 F N 2.065 121.918 119.950 -0.161 0.000 2.095 400 F HA -0.079 4.490 4.527 0.070 0.000 0.298 400 F C 1.874 177.477 175.800 -0.329 0.000 1.104 400 F CA 1.236 59.103 58.000 -0.222 0.000 1.232 400 F CB -0.576 38.322 39.000 -0.171 0.000 0.987 400 F HN 0.040 nan 8.300 nan 0.000 0.475 401 L N 0.198 121.107 121.223 -0.524 0.000 2.042 401 L HA -0.236 4.147 4.340 0.071 0.000 0.210 401 L C 2.234 178.883 176.870 -0.367 0.000 1.076 401 L CA 2.021 56.487 54.840 -0.623 0.000 0.749 401 L CB -0.994 40.746 42.059 -0.532 0.000 0.893 401 L HN 0.244 nan 8.230 nan 0.000 0.432 402 D N -0.683 119.602 120.400 -0.191 0.000 2.144 402 D HA -0.172 4.510 4.640 0.071 0.000 0.200 402 D C 1.956 178.197 176.300 -0.100 0.000 0.978 402 D CA 1.562 55.524 54.000 -0.063 0.000 0.833 402 D CB 0.215 40.993 40.800 -0.037 0.000 0.961 402 D HN 0.125 nan 8.370 nan 0.000 0.470 403 T N -0.304 114.144 114.554 -0.177 0.000 2.684 403 T HA -0.144 4.249 4.350 0.071 0.000 0.267 403 T C 1.988 176.530 174.700 -0.263 0.000 1.036 403 T CA 1.219 63.218 62.100 -0.168 0.000 1.148 403 T CB -0.230 68.536 68.868 -0.170 0.000 0.863 403 T HN 0.170 nan 8.240 nan 0.000 0.436 404 R N 0.006 120.160 120.500 -0.576 0.000 2.096 404 R HA -0.080 4.303 4.340 0.071 0.000 0.235 404 R C 2.506 178.662 176.300 -0.241 0.000 1.127 404 R CA 1.217 56.855 56.100 -0.769 0.000 0.968 404 R CB -0.329 29.338 30.300 -1.055 0.000 0.861 404 R HN 0.490 nan 8.270 nan 0.000 0.440 405 H N 0.830 119.824 119.070 -0.126 0.000 2.387 405 H HA -0.080 4.518 4.556 0.071 0.000 0.299 405 H C 1.974 177.381 175.328 0.132 0.000 1.090 405 H CA 1.321 57.376 56.048 0.012 0.000 1.332 405 H CB 0.110 29.834 29.762 -0.063 0.000 1.386 405 H HN 0.381 nan 8.280 nan 0.000 0.516 406 Q N -0.497 119.403 119.800 0.167 0.000 2.224 406 Q HA -0.016 4.366 4.340 0.071 0.000 0.203 406 Q C 1.372 177.413 176.000 0.068 0.000 0.970 406 Q CA 0.780 56.649 55.803 0.110 0.000 0.865 406 Q CB 0.331 29.102 28.738 0.055 0.000 0.922 406 Q HN 0.619 nan 8.270 nan 0.000 0.445 407 G N 1.410 110.278 108.800 0.114 0.000 2.143 407 G HA2 -0.273 3.730 3.960 0.071 0.000 0.249 407 G HA3 -0.273 3.730 3.960 0.071 0.000 0.249 407 G C 0.463 175.392 174.900 0.048 0.000 0.981 407 G CA 0.537 45.573 45.100 -0.107 0.000 0.665 407 G HN 0.418 nan 8.290 nan 0.000 0.528 408 T N -0.849 113.811 114.554 0.176 0.000 3.843 408 T HA 0.607 4.999 4.350 0.071 0.000 0.227 408 T C 0.014 174.862 174.700 0.247 0.000 1.043 408 T CA 0.179 62.354 62.100 0.125 0.000 1.012 408 T CB -0.784 68.127 68.868 0.072 0.000 1.279 408 T HN 1.664 nan 8.240 nan 0.000 0.730 409 F N -1.864 118.039 119.950 -0.078 0.000 2.817 409 F HA 0.676 5.246 4.527 0.072 0.000 0.317 409 F C -0.921 174.818 175.800 -0.102 0.000 1.168 409 F CA -1.409 56.551 58.000 -0.066 0.000 0.911 409 F CB 0.542 39.493 39.000 -0.082 0.000 1.337 409 F HN -0.119 nan 8.300 nan 0.000 0.464 410 D N 0.497 120.800 120.400 -0.161 0.000 2.845 410 D HA 0.312 4.995 4.640 0.071 0.000 0.272 410 D C -0.342 175.528 176.300 -0.716 0.000 1.275 410 D CA 1.163 54.840 54.000 -0.538 0.000 1.029 410 D CB 0.662 41.310 40.800 -0.252 0.000 1.131 410 D HN 0.245 nan 8.370 nan 0.000 0.423 411 V N 0.304 120.111 119.914 -0.178 0.000 2.735 411 V HA 0.783 4.945 4.120 0.071 0.000 0.310 411 V C -0.816 175.489 176.094 0.351 0.000 1.061 411 V CA -0.844 61.460 62.300 0.007 0.000 0.913 411 V CB 1.935 33.733 31.823 -0.041 0.000 1.005 411 V HN 0.341 nan 8.190 nan 0.000 0.428 412 A N 3.557 126.582 122.820 0.343 0.000 2.486 412 A HA 0.762 5.125 4.320 0.071 0.000 0.300 412 A C -0.562 177.128 177.584 0.177 0.000 1.048 412 A CA -0.755 51.426 52.037 0.240 0.000 0.696 412 A CB 1.758 20.684 19.000 -0.124 0.000 1.278 412 A HN 0.726 nan 8.150 nan 0.000 0.405 413 R N 1.242 121.867 120.500 0.208 0.000 2.537 413 R HA 0.538 4.920 4.340 0.071 0.000 0.280 413 R C -0.334 175.752 176.300 -0.357 0.000 1.058 413 R CA 1.028 57.013 56.100 -0.192 0.000 1.057 413 R CB 0.549 30.806 30.300 -0.071 0.000 0.973 413 R HN 1.305 nan 8.270 nan 0.000 0.438 414 A N 2.001 124.325 122.820 -0.826 0.000 2.609 414 A HA 0.714 5.077 4.320 0.071 0.000 0.291 414 A C -1.080 175.974 177.584 -0.883 0.000 1.096 414 A CA -0.205 51.369 52.037 -0.772 0.000 0.684 414 A CB 2.022 20.338 19.000 -1.140 0.000 1.282 414 A HN 0.776 nan 8.150 nan 0.000 0.412 415 G N -0.254 108.336 108.800 -0.351 0.000 2.739 415 G HA2 0.532 4.534 3.960 0.071 0.000 0.292 415 G HA3 0.532 4.534 3.960 0.071 0.000 0.292 415 G C -1.380 173.677 174.900 0.263 0.000 1.444 415 G CA -0.192 44.909 45.100 0.003 0.000 1.144 415 G HN 0.916 nan 8.290 nan 0.000 0.550 416 W N 2.870 124.286 121.300 0.192 0.000 2.656 416 W HA 0.577 5.282 4.660 0.075 0.000 0.327 416 W C -1.314 175.012 176.519 -0.322 0.000 1.041 416 W CA -0.846 56.447 57.345 -0.086 0.000 1.229 416 W CB 2.066 31.432 29.460 -0.156 0.000 1.397 416 W HN 0.515 nan 8.180 nan 0.000 0.479 417 c N 4.240 122.241 118.600 -1.000 0.000 2.417 417 c HA 0.660 5.272 4.570 0.071 0.000 0.324 417 c C 0.821 174.378 174.090 -0.888 0.000 1.240 417 c CA -0.490 55.382 56.329 -0.761 0.000 1.632 417 c CB 0.617 42.753 42.510 -0.623 0.000 2.241 417 c HN 0.700 nan 8.230 nan 0.000 0.499 418 A N 2.344 124.920 122.820 -0.405 0.000 2.531 418 A HA 0.190 4.553 4.320 0.071 0.000 0.236 418 A C 0.882 178.327 177.584 -0.233 0.000 1.062 418 A CA 0.336 52.204 52.037 -0.282 0.000 0.760 418 A CB 0.225 19.204 19.000 -0.034 0.000 0.995 418 A HN 0.922 nan 8.150 nan 0.000 0.501 419 D N -0.656 119.658 120.400 -0.142 0.000 2.327 419 D HA 0.152 4.835 4.640 0.071 0.000 0.205 419 D C -0.293 176.159 176.300 0.254 0.000 0.989 419 D CA 1.556 55.616 54.000 0.101 0.000 0.873 419 D CB 0.094 40.998 40.800 0.174 0.000 0.955 419 D HN 0.666 nan 8.370 nan 0.000 0.515 420 Y N -1.867 118.463 120.300 0.050 0.000 2.581 420 Y HA 0.441 5.032 4.550 0.068 0.000 0.337 420 Y C -0.728 175.160 175.900 -0.020 0.000 1.108 420 Y CA -1.616 56.494 58.100 0.017 0.000 1.033 420 Y CB 0.302 38.760 38.460 -0.004 0.000 1.318 420 Y HN -0.408 nan 8.280 nan 0.000 0.459 421 N N 2.851 121.579 118.700 0.046 0.000 2.605 421 N HA 0.217 5.000 4.740 0.071 0.000 0.258 421 N C -1.082 174.368 175.510 -0.101 0.000 1.156 421 N CA 0.450 53.467 53.050 -0.055 0.000 1.008 421 N CB -0.195 38.295 38.487 0.005 0.000 1.354 421 N HN 0.754 nan 8.380 nan 0.000 0.509 422 E N 2.431 122.469 120.200 -0.270 0.000 2.388 422 E HA 0.208 4.601 4.350 0.071 0.000 0.282 422 E C -2.398 173.906 176.600 -0.494 0.000 1.026 422 E CA -1.342 54.850 56.400 -0.346 0.000 0.820 422 E CB 1.671 31.163 29.700 -0.348 0.000 1.226 422 E HN 0.073 nan 8.360 nan 0.000 0.432 423 P HA -0.125 nan 4.420 nan 0.000 0.219 423 P C 1.175 178.120 177.300 -0.592 0.000 1.146 423 P CA 1.992 64.690 63.100 -0.669 0.000 0.808 423 P CB 0.047 31.137 31.700 -1.018 0.000 0.779 424 T N -4.325 109.879 114.554 -0.583 0.000 2.962 424 T HA -0.095 4.297 4.350 0.071 0.000 0.270 424 T C 1.997 176.514 174.700 -0.306 0.000 1.088 424 T CA 1.245 63.155 62.100 -0.317 0.000 1.127 424 T CB -1.197 67.633 68.868 -0.062 0.000 0.883 424 T HN 0.004 nan 8.240 nan 0.000 0.493 425 S N 0.065 115.441 115.700 -0.539 0.000 2.402 425 S HA -0.064 4.448 4.470 0.071 0.000 0.233 425 S C 1.384 175.873 174.600 -0.184 0.000 1.030 425 S CA 0.995 58.841 58.200 -0.590 0.000 1.003 425 S CB -0.583 61.952 63.200 -1.108 0.000 0.813 425 S HN 0.561 nan 8.310 nan 0.000 0.477 426 F N 0.964 120.700 119.950 -0.357 0.000 2.164 426 F HA 0.294 4.862 4.527 0.068 0.000 0.287 426 F C 2.051 177.632 175.800 -0.365 0.000 1.086 426 F CA 0.670 58.385 58.000 -0.476 0.000 1.249 426 F CB -0.574 38.037 39.000 -0.648 0.000 1.059 426 F HN 0.099 nan 8.300 nan 0.000 0.490 427 L N 0.112 121.312 121.223 -0.038 0.000 2.079 427 L HA -0.271 4.111 4.340 0.071 0.000 0.210 427 L C 1.952 178.874 176.870 0.087 0.000 1.081 427 L CA 1.078 55.994 54.840 0.127 0.000 0.752 427 L CB -0.768 41.336 42.059 0.075 0.000 0.896 427 L HN 0.176 nan 8.230 nan 0.000 0.433 428 N N -0.378 118.206 118.700 -0.193 0.000 2.364 428 N HA -0.152 4.630 4.740 0.071 0.000 0.183 428 N C 1.937 177.284 175.510 -0.272 0.000 1.022 428 N CA 1.806 54.637 53.050 -0.366 0.000 0.883 428 N CB -0.470 37.342 38.487 -1.124 0.000 0.965 428 N HN 0.487 nan 8.380 nan 0.000 0.438 429 T N -2.192 112.188 114.554 -0.290 0.000 2.995 429 T HA 0.016 4.409 4.350 0.071 0.000 0.269 429 T C 1.494 176.089 174.700 -0.175 0.000 1.091 429 T CA 0.655 62.591 62.100 -0.273 0.000 1.128 429 T CB -0.007 68.443 68.868 -0.696 0.000 0.891 429 T HN -0.028 nan 8.240 nan 0.000 0.492 430 M N 0.806 120.358 119.600 -0.079 0.000 2.495 430 M HA 0.413 4.935 4.480 0.071 0.000 0.237 430 M C 0.330 176.703 176.300 0.121 0.000 1.131 430 M CA -0.128 55.097 55.300 -0.124 0.000 1.032 430 M CB -0.735 31.552 32.600 -0.522 0.000 1.513 430 M HN 0.305 nan 8.290 nan 0.000 0.488 431 L N -0.034 121.337 121.223 0.248 0.000 2.485 431 L HA 0.025 4.407 4.340 0.071 0.000 0.275 431 L C 1.866 178.819 176.870 0.137 0.000 1.207 431 L CA -0.343 54.663 54.840 0.277 0.000 0.855 431 L CB 0.187 42.374 42.059 0.214 0.000 1.114 431 L HN 0.157 nan 8.230 nan 0.000 0.485 432 S N 1.165 116.928 115.700 0.104 0.000 2.393 432 S HA -0.222 4.291 4.470 0.071 0.000 0.234 432 S C 1.091 175.702 174.600 0.018 0.000 1.064 432 S CA 2.099 60.313 58.200 0.025 0.000 1.088 432 S CB -0.292 62.917 63.200 0.015 0.000 0.939 432 S HN 0.937 nan 8.310 nan 0.000 0.448 433 D N 0.372 120.796 120.400 0.040 0.000 2.491 433 D HA 0.173 4.856 4.640 0.071 0.000 0.228 433 D C -0.003 176.318 176.300 0.035 0.000 1.183 433 D CA -0.075 53.942 54.000 0.028 0.000 0.827 433 D CB -0.191 40.628 40.800 0.032 0.000 0.989 433 D HN 0.134 nan 8.370 nan 0.000 0.494 434 S N 0.198 115.926 115.700 0.046 0.000 2.548 434 S HA 0.155 4.668 4.470 0.071 0.000 0.277 434 S C 1.545 176.141 174.600 -0.006 0.000 1.315 434 S CA -0.036 58.206 58.200 0.070 0.000 1.050 434 S CB 1.008 64.279 63.200 0.118 0.000 0.918 434 S HN 0.293 nan 8.310 nan 0.000 0.497 435 S N 3.866 119.548 115.700 -0.030 0.000 2.474 435 S HA -0.089 4.424 4.470 0.071 0.000 0.235 435 S C 0.999 175.572 174.600 -0.044 0.000 0.997 435 S CA 1.124 59.290 58.200 -0.058 0.000 0.949 435 S CB -0.677 62.468 63.200 -0.092 0.000 0.766 435 S HN 0.863 nan 8.310 nan 0.000 0.517 436 N N 1.573 120.223 118.700 -0.083 0.000 2.398 436 N HA 0.104 4.886 4.740 0.071 0.000 0.188 436 N C 0.217 175.591 175.510 -0.228 0.000 1.122 436 N CA -0.035 52.917 53.050 -0.163 0.000 0.866 436 N CB -0.092 38.232 38.487 -0.272 0.000 0.970 436 N HN 0.246 nan 8.380 nan 0.000 0.462 437 N N 1.466 120.054 118.700 -0.187 0.000 2.819 437 N HA -0.005 4.777 4.740 0.071 0.000 0.284 437 N C 0.420 175.705 175.510 -0.375 0.000 1.196 437 N CA 0.245 53.147 53.050 -0.247 0.000 1.114 437 N CB 0.161 38.544 38.487 -0.174 0.000 1.437 437 N HN 0.222 nan 8.380 nan 0.000 0.518 438 T N -2.047 112.297 114.554 -0.349 0.000 3.148 438 T HA 0.105 4.498 4.350 0.071 0.000 0.253 438 T C 1.573 176.275 174.700 0.003 0.000 1.134 438 T CA 0.361 62.266 62.100 -0.325 0.000 1.051 438 T CB 0.204 68.823 68.868 -0.414 0.000 0.959 438 T HN 0.264 nan 8.240 nan 0.000 0.525 439 A N 0.964 123.751 122.820 -0.056 0.000 2.119 439 A HA 0.157 4.519 4.320 0.071 0.000 0.216 439 A C 0.858 178.533 177.584 0.152 0.000 1.152 439 A CA 0.520 52.599 52.037 0.071 0.000 0.708 439 A CB -0.810 18.137 19.000 -0.088 0.000 0.805 439 A HN 0.679 nan 8.150 nan 0.000 0.460 440 H N -3.613 115.470 119.070 0.021 0.000 2.791 440 H HA -0.232 4.367 4.556 0.071 0.000 0.302 440 H C -0.314 175.029 175.328 0.024 0.000 1.198 440 H CA 1.071 57.127 56.048 0.013 0.000 1.145 440 H CB -2.356 27.401 29.762 -0.007 0.000 1.385 440 H HN 0.685 nan 8.280 nan 0.000 0.409 441 Y N 1.565 121.816 120.300 -0.083 0.000 2.327 441 Y HA 0.381 4.974 4.550 0.071 0.000 0.336 441 Y C -0.285 175.557 175.900 -0.096 0.000 1.035 441 Y CA -0.789 57.243 58.100 -0.114 0.000 1.165 441 Y CB 0.743 39.075 38.460 -0.213 0.000 1.181 441 Y HN 0.054 nan 8.280 nan 0.000 0.494 442 K N 5.462 125.537 120.400 -0.541 0.000 2.559 442 K HA 0.318 4.680 4.320 0.071 0.000 0.249 442 K C -1.213 175.052 176.600 -0.558 0.000 0.958 442 K CA -0.620 55.416 56.287 -0.418 0.000 0.901 442 K CB 1.645 34.036 32.500 -0.182 0.000 1.124 442 K HN 0.560 nan 8.250 nan 0.000 0.437 443 S N 3.536 118.912 115.700 -0.541 0.000 2.707 443 S HA 0.360 4.872 4.470 0.071 0.000 0.312 443 S C -2.194 172.396 174.600 -0.016 0.000 1.116 443 S CA -1.616 56.411 58.200 -0.288 0.000 1.078 443 S CB 1.294 64.319 63.200 -0.293 0.000 0.997 443 S HN 0.190 nan 8.310 nan 0.000 0.477 444 P HA -0.058 nan 4.420 nan 0.000 0.216 444 P C 1.446 178.777 177.300 0.051 0.000 1.150 444 P CA 1.545 64.658 63.100 0.022 0.000 0.837 444 P CB 0.140 31.841 31.700 0.003 0.000 0.786 445 A N -1.416 121.444 122.820 0.066 0.000 1.930 445 A HA -0.189 4.174 4.320 0.071 0.000 0.217 445 A C 2.083 179.734 177.584 0.113 0.000 1.175 445 A CA 1.225 53.309 52.037 0.078 0.000 0.627 445 A CB -1.781 17.271 19.000 0.087 0.000 0.815 445 A HN 0.151 nan 8.150 nan 0.000 0.443 446 F N 1.307 121.287 119.950 0.050 0.000 2.102 446 F HA -0.175 4.395 4.527 0.070 0.000 0.298 446 F C 1.764 177.610 175.800 0.077 0.000 1.105 446 F CA 2.089 60.147 58.000 0.097 0.000 1.239 446 F CB -0.220 38.896 39.000 0.193 0.000 0.991 446 F HN 0.225 nan 8.300 nan 0.000 0.474 447 D N 0.431 120.911 120.400 0.133 0.000 2.123 447 D HA -0.216 4.466 4.640 0.071 0.000 0.196 447 D C 2.124 178.398 176.300 -0.044 0.000 0.992 447 D CA 1.597 55.624 54.000 0.045 0.000 0.833 447 D CB -0.382 40.477 40.800 0.098 0.000 0.954 447 D HN 0.216 nan 8.370 nan 0.000 0.455 448 K N 0.811 121.194 120.400 -0.028 0.000 2.057 448 K HA -0.042 4.320 4.320 0.071 0.000 0.206 448 K C 2.150 178.711 176.600 -0.067 0.000 1.050 448 K CA 0.779 57.048 56.287 -0.030 0.000 0.935 448 K CB -0.579 31.916 32.500 -0.008 0.000 0.715 448 K HN 0.108 nan 8.250 nan 0.000 0.439 449 L N 0.402 121.560 121.223 -0.107 0.000 1.990 449 L HA -0.219 4.164 4.340 0.071 0.000 0.213 449 L C 2.223 179.003 176.870 -0.149 0.000 1.072 449 L CA 1.038 55.799 54.840 -0.131 0.000 0.755 449 L CB -0.558 41.405 42.059 -0.161 0.000 0.889 449 L HN 0.211 nan 8.230 nan 0.000 0.432 450 I N -0.020 120.413 120.570 -0.229 0.000 2.315 450 I HA -0.186 4.027 4.170 0.071 0.000 0.248 450 I C 2.801 178.905 176.117 -0.022 0.000 1.117 450 I CA 1.452 62.676 61.300 -0.126 0.000 1.404 450 I CB -1.714 36.164 38.000 -0.203 0.000 1.071 450 I HN 0.165 nan 8.210 nan 0.000 0.419 451 A N 0.643 123.450 122.820 -0.022 0.000 1.933 451 A HA -0.192 4.171 4.320 0.071 0.000 0.218 451 A C 1.872 179.448 177.584 -0.013 0.000 1.175 451 A CA 1.736 53.781 52.037 0.013 0.000 0.628 451 A CB -0.573 18.437 19.000 0.017 0.000 0.814 451 A HN 0.346 nan 8.150 nan 0.000 0.444 452 D N -0.302 120.077 120.400 -0.033 0.000 2.310 452 D HA -0.094 4.588 4.640 0.071 0.000 0.212 452 D C 2.199 178.467 176.300 -0.054 0.000 0.965 452 D CA 1.623 55.598 54.000 -0.043 0.000 0.879 452 D CB -0.583 40.188 40.800 -0.049 0.000 0.921 452 D HN 0.657 nan 8.370 nan 0.000 0.510 453 T N -1.166 113.356 114.554 -0.053 0.000 2.803 453 T HA -0.124 4.269 4.350 0.071 0.000 0.269 453 T C 1.869 176.554 174.700 -0.025 0.000 1.052 453 T CA 0.770 62.825 62.100 -0.076 0.000 1.136 453 T CB -0.343 68.500 68.868 -0.041 0.000 0.864 453 T HN 0.178 nan 8.240 nan 0.000 0.467 454 L N -0.807 120.408 121.223 -0.013 0.000 2.607 454 L HA 0.382 4.765 4.340 0.071 0.000 0.228 454 L C 1.897 178.741 176.870 -0.043 0.000 1.123 454 L CA 0.074 54.895 54.840 -0.032 0.000 0.890 454 L CB 0.084 42.080 42.059 -0.105 0.000 1.103 454 L HN 0.099 nan 8.230 nan 0.000 0.468 455 K N -0.092 120.285 120.400 -0.038 0.000 2.404 455 K HA 0.101 4.464 4.320 0.071 0.000 0.194 455 K C 0.117 176.704 176.600 -0.021 0.000 1.023 455 K CA 0.150 56.420 56.287 -0.029 0.000 1.094 455 K CB 0.460 32.944 32.500 -0.027 0.000 0.841 455 K HN 0.128 nan 8.250 nan 0.000 0.523 456 V N -3.496 116.404 119.914 -0.024 0.000 2.919 456 V HA 0.805 4.968 4.120 0.071 0.000 0.316 456 V C -0.073 176.018 176.094 -0.005 0.000 1.077 456 V CA -1.165 61.123 62.300 -0.020 0.000 0.977 456 V CB 1.844 33.645 31.823 -0.038 0.000 1.039 456 V HN -0.147 nan 8.190 nan 0.000 0.441 457 A N 1.244 124.068 122.820 0.008 0.000 2.855 457 A HA 0.604 4.966 4.320 0.071 0.000 0.301 457 A C -0.242 177.356 177.584 0.023 0.000 1.076 457 A CA -0.012 52.042 52.037 0.027 0.000 1.004 457 A CB -0.687 18.346 19.000 0.054 0.000 1.152 457 A HN 0.937 nan 8.150 nan 0.000 0.531 458 D N -0.828 119.574 120.400 0.003 0.000 2.757 458 D HA 0.356 5.039 4.640 0.071 0.000 0.249 458 D C 0.036 176.326 176.300 -0.016 0.000 1.168 458 D CA -0.302 53.698 54.000 -0.001 0.000 0.870 458 D CB 1.610 42.405 40.800 -0.008 0.000 1.411 458 D HN -0.011 nan 8.370 nan 0.000 0.525 459 D N 1.425 121.826 120.400 0.002 0.000 2.117 459 D HA -0.103 4.580 4.640 0.071 0.000 0.198 459 D C 1.469 177.755 176.300 -0.024 0.000 0.982 459 D CA 1.238 55.240 54.000 0.004 0.000 0.828 459 D CB 0.220 41.039 40.800 0.031 0.000 0.967 459 D HN 0.451 nan 8.370 nan 0.000 0.464 460 T N 0.327 114.871 114.554 -0.018 0.000 2.708 460 T HA -0.172 4.221 4.350 0.071 0.000 0.266 460 T C 1.930 176.594 174.700 -0.060 0.000 1.037 460 T CA 1.181 63.266 62.100 -0.026 0.000 1.146 460 T CB -0.204 68.657 68.868 -0.012 0.000 0.865 460 T HN 0.158 nan 8.240 nan 0.000 0.435 461 Q N 0.393 120.156 119.800 -0.062 0.000 2.077 461 Q HA -0.132 4.251 4.340 0.071 0.000 0.206 461 Q C 2.477 178.377 176.000 -0.166 0.000 0.989 461 Q CA 1.575 57.326 55.803 -0.087 0.000 0.853 461 Q CB -0.063 28.637 28.738 -0.065 0.000 0.907 461 Q HN 0.333 nan 8.270 nan 0.000 0.418 462 R N -0.785 119.587 120.500 -0.213 0.000 2.092 462 R HA -0.076 4.307 4.340 0.071 0.000 0.231 462 R C 2.219 178.096 176.300 -0.704 0.000 1.119 462 R CA 1.558 57.387 56.100 -0.453 0.000 0.970 462 R CB -0.030 30.086 30.300 -0.307 0.000 0.864 462 R HN 0.140 nan 8.270 nan 0.000 0.440 463 S N 0.667 116.179 115.700 -0.313 0.000 2.383 463 S HA -0.104 4.408 4.470 0.071 0.000 0.227 463 S C 1.467 176.014 174.600 -0.089 0.000 1.026 463 S CA 1.257 59.391 58.200 -0.111 0.000 0.981 463 S CB -0.054 63.157 63.200 0.018 0.000 0.818 463 S HN 0.450 nan 8.310 nan 0.000 0.472 464 E N 1.134 121.269 120.200 -0.109 0.000 2.077 464 E HA -0.087 4.305 4.350 0.071 0.000 0.193 464 E C 1.915 178.469 176.600 -0.076 0.000 0.989 464 E CA 0.883 57.245 56.400 -0.064 0.000 0.800 464 E CB -0.335 29.334 29.700 -0.052 0.000 0.746 464 E HN 0.417 nan 8.360 nan 0.000 0.452 465 L N 0.177 121.303 121.223 -0.162 0.000 2.141 465 L HA -0.168 4.214 4.340 0.071 0.000 0.209 465 L C 2.227 179.061 176.870 -0.060 0.000 1.094 465 L CA 0.804 55.559 54.840 -0.143 0.000 0.763 465 L CB -0.357 41.582 42.059 -0.200 0.000 0.908 465 L HN 0.124 nan 8.230 nan 0.000 0.437 466 Y N -0.099 120.175 120.300 -0.044 0.000 2.200 466 Y HA -0.155 4.438 4.550 0.071 0.000 0.290 466 Y C 2.627 178.514 175.900 -0.020 0.000 1.137 466 Y CA 0.500 58.572 58.100 -0.048 0.000 1.163 466 Y CB -1.179 37.244 38.460 -0.062 0.000 0.988 466 Y HN 0.109 nan 8.280 nan 0.000 0.518 467 A N 0.374 123.278 122.820 0.139 0.000 1.902 467 A HA -0.214 4.149 4.320 0.071 0.000 0.217 467 A C 2.222 179.853 177.584 0.078 0.000 1.181 467 A CA 1.890 53.978 52.037 0.084 0.000 0.623 467 A CB -0.536 18.493 19.000 0.048 0.000 0.818 467 A HN 0.424 nan 8.150 nan 0.000 0.443 468 K N -0.399 120.035 120.400 0.057 0.000 2.155 468 K HA 0.057 4.420 4.320 0.071 0.000 0.203 468 K C 2.211 178.868 176.600 0.094 0.000 1.052 468 K CA 0.882 57.203 56.287 0.058 0.000 0.948 468 K CB -0.237 32.279 32.500 0.025 0.000 0.728 468 K HN 0.440 nan 8.250 nan 0.000 0.448 469 A N 1.664 124.542 122.820 0.096 0.000 1.929 469 A HA -0.139 4.223 4.320 0.071 0.000 0.216 469 A C 1.924 179.702 177.584 0.324 0.000 1.176 469 A CA 1.154 53.283 52.037 0.152 0.000 0.628 469 A CB -0.144 18.836 19.000 -0.033 0.000 0.816 469 A HN 0.122 nan 8.150 nan 0.000 0.444 470 E N 0.193 120.524 120.200 0.217 0.000 2.077 470 E HA -0.213 4.179 4.350 0.071 0.000 0.193 470 E C 2.155 178.846 176.600 0.153 0.000 0.989 470 E CA 1.404 57.910 56.400 0.176 0.000 0.800 470 E CB -0.377 29.390 29.700 0.112 0.000 0.746 470 E HN 0.782 nan 8.360 nan 0.000 0.452 471 Q N 0.244 120.127 119.800 0.138 0.000 2.124 471 Q HA -0.214 4.168 4.340 0.071 0.000 0.202 471 Q C 2.193 178.279 176.000 0.143 0.000 0.977 471 Q CA 1.467 57.345 55.803 0.125 0.000 0.850 471 Q CB -0.109 28.686 28.738 0.096 0.000 0.901 471 Q HN 0.118 nan 8.270 nan 0.000 0.429 472 Q N 0.779 120.688 119.800 0.183 0.000 2.050 472 Q HA -0.173 4.209 4.340 0.071 0.000 0.202 472 Q C 1.823 177.934 176.000 0.184 0.000 0.980 472 Q CA 1.161 57.094 55.803 0.216 0.000 0.840 472 Q CB -0.292 28.635 28.738 0.316 0.000 0.898 472 Q HN 0.283 nan 8.270 nan 0.000 0.424 473 L N 0.875 122.183 121.223 0.141 0.000 2.042 473 L HA -0.167 4.216 4.340 0.071 0.000 0.210 473 L C 1.834 178.661 176.870 -0.072 0.000 1.076 473 L CA 2.452 57.220 54.840 -0.121 0.000 0.749 473 L CB -0.947 41.002 42.059 -0.184 0.000 0.893 473 L HN 0.431 nan 8.230 nan 0.000 0.432 474 D N -1.145 119.283 120.400 0.047 0.000 2.183 474 D HA -0.215 4.468 4.640 0.071 0.000 0.203 474 D C 2.255 178.618 176.300 0.105 0.000 0.969 474 D CA 1.012 55.079 54.000 0.112 0.000 0.842 474 D CB 0.023 40.961 40.800 0.230 0.000 0.957 474 D HN 0.241 nan 8.370 nan 0.000 0.484 475 K N -0.093 120.370 120.400 0.105 0.000 2.057 475 K HA -0.117 4.245 4.320 0.071 0.000 0.207 475 K C 0.791 177.434 176.600 0.072 0.000 1.049 475 K CA 1.470 57.816 56.287 0.098 0.000 0.931 475 K CB 0.113 32.678 32.500 0.109 0.000 0.714 475 K HN 0.103 nan 8.250 nan 0.000 0.440 476 D N 0.253 120.697 120.400 0.074 0.000 2.349 476 D HA 0.011 4.693 4.640 0.071 0.000 0.215 476 D C -0.251 176.058 176.300 0.016 0.000 1.016 476 D CA 0.340 54.389 54.000 0.081 0.000 0.870 476 D CB 0.378 41.307 40.800 0.216 0.000 0.917 476 D HN 0.007 nan 8.370 nan 0.000 0.524 477 S N 0.169 115.848 115.700 -0.033 0.000 3.524 477 S HA -0.239 4.274 4.470 0.071 0.000 0.377 477 S C 1.384 175.920 174.600 -0.106 0.000 0.949 477 S CA 0.276 58.431 58.200 -0.075 0.000 1.264 477 S CB -1.118 62.036 63.200 -0.076 0.000 0.918 477 S HN 0.528 nan 8.310 nan 0.000 0.517 478 A N 0.553 123.236 122.820 -0.228 0.000 1.898 478 A HA 0.276 4.639 4.320 0.071 0.000 0.216 478 A C 1.034 178.467 177.584 -0.253 0.000 1.181 478 A CA 1.451 53.272 52.037 -0.360 0.000 0.620 478 A CB -0.340 18.096 19.000 -0.940 0.000 0.819 478 A HN 1.065 nan 8.150 nan 0.000 0.442 479 I N -5.258 115.175 120.570 -0.228 0.000 3.445 479 I HA 0.682 4.895 4.170 0.071 0.000 0.303 479 I C -1.165 174.965 176.117 0.022 0.000 1.129 479 I CA -1.252 59.998 61.300 -0.084 0.000 0.989 479 I CB 2.225 40.113 38.000 -0.187 0.000 1.314 479 I HN -0.222 nan 8.210 nan 0.000 0.488 480 V N 1.888 121.901 119.914 0.165 0.000 2.340 480 V HA 0.408 4.570 4.120 0.071 0.000 0.277 480 V C -2.501 173.755 176.094 0.270 0.000 1.017 480 V CA -1.488 60.949 62.300 0.229 0.000 0.820 480 V CB 0.597 32.653 31.823 0.388 0.000 1.028 480 V HN 0.583 nan 8.190 nan 0.000 0.436 481 P HA 0.173 nan 4.420 nan 0.000 0.267 481 P C 0.497 177.907 177.300 0.183 0.000 1.205 481 P CA 0.401 63.604 63.100 0.171 0.000 0.765 481 P CB 1.526 33.293 31.700 0.112 0.000 0.828 482 V N 2.906 122.887 119.914 0.111 0.000 2.784 482 V HA 0.185 4.347 4.120 0.071 0.000 0.231 482 V C 0.027 176.136 176.094 0.025 0.000 1.128 482 V CA 1.112 63.471 62.300 0.098 0.000 1.178 482 V CB -0.619 31.263 31.823 0.099 0.000 0.943 482 V HN 0.564 nan 8.190 nan 0.000 0.500 483 Y N -2.437 117.797 120.300 -0.111 0.000 2.609 483 Y HA 0.743 5.334 4.550 0.070 0.000 0.336 483 Y C -1.577 174.180 175.900 -0.238 0.000 1.129 483 Y CA -2.474 55.474 58.100 -0.253 0.000 1.040 483 Y CB 0.525 38.874 38.460 -0.185 0.000 1.310 483 Y HN 0.098 nan 8.280 nan 0.000 0.460 484 Y N 1.599 122.123 120.300 0.374 0.000 2.313 484 Y HA 0.402 4.995 4.550 0.072 0.000 0.332 484 Y C -0.333 175.899 175.900 0.554 0.000 1.071 484 Y CA -0.945 57.385 58.100 0.382 0.000 1.169 484 Y CB 0.138 38.811 38.460 0.354 0.000 1.192 484 Y HN 0.540 nan 8.280 nan 0.000 0.487 485 Y N 1.561 122.179 120.300 0.530 0.000 2.330 485 Y HA 0.383 4.976 4.550 0.071 0.000 0.341 485 Y C 0.535 176.668 175.900 0.389 0.000 1.278 485 Y CA -1.048 57.348 58.100 0.494 0.000 1.453 485 Y CB 0.432 39.143 38.460 0.418 0.000 1.342 485 Y HN 0.395 nan 8.280 nan 0.000 0.590 486 V N -0.373 119.823 119.914 0.470 0.000 2.881 486 V HA 0.516 4.679 4.120 0.071 0.000 0.316 486 V C -0.446 175.864 176.094 0.360 0.000 1.070 486 V CA -1.306 61.185 62.300 0.318 0.000 0.976 486 V CB 1.915 33.806 31.823 0.114 0.000 1.038 486 V HN 0.729 nan 8.190 nan 0.000 0.446 487 N N 2.305 121.082 118.700 0.128 0.000 2.521 487 N HA 0.573 5.356 4.740 0.071 0.000 0.236 487 N C -0.439 175.018 175.510 -0.088 0.000 1.067 487 N CA 0.204 53.132 53.050 -0.204 0.000 0.939 487 N CB 0.755 38.916 38.487 -0.543 0.000 1.201 487 N HN 1.186 nan 8.380 nan 0.000 0.511 488 A N 4.045 126.833 122.820 -0.053 0.000 2.304 488 A HA 0.804 5.166 4.320 0.071 0.000 0.314 488 A C -0.209 177.332 177.584 -0.072 0.000 1.187 488 A CA -0.728 51.293 52.037 -0.028 0.000 0.810 488 A CB 0.807 19.781 19.000 -0.043 0.000 1.183 488 A HN 0.824 nan 8.150 nan 0.000 0.487 489 R N 1.370 121.822 120.500 -0.081 0.000 2.733 489 R HA 0.725 5.108 4.340 0.071 0.000 0.272 489 R C -2.000 174.168 176.300 -0.220 0.000 1.029 489 R CA -0.946 55.054 56.100 -0.167 0.000 0.888 489 R CB 0.821 30.979 30.300 -0.237 0.000 1.251 489 R HN 0.421 nan 8.270 nan 0.000 0.464 490 L N 1.478 122.479 121.223 -0.369 0.000 2.309 490 L HA 0.708 5.091 4.340 0.071 0.000 0.282 490 L C -0.772 175.833 176.870 -0.442 0.000 1.036 490 L CA -1.335 53.165 54.840 -0.566 0.000 0.806 490 L CB 1.972 43.298 42.059 -1.221 0.000 1.220 490 L HN 0.348 nan 8.230 nan 0.000 0.429 491 V N 2.989 122.755 119.914 -0.247 0.000 2.577 491 V HA 0.322 4.485 4.120 0.071 0.000 0.303 491 V C -0.040 175.969 176.094 -0.141 0.000 1.042 491 V CA -1.134 61.065 62.300 -0.169 0.000 0.872 491 V CB 1.931 33.587 31.823 -0.280 0.000 0.998 491 V HN 0.596 nan 8.190 nan 0.000 0.423 492 K N 5.003 125.228 120.400 -0.291 0.000 2.469 492 K HA 0.142 4.505 4.320 0.071 0.000 0.274 492 K C -1.604 174.509 176.600 -0.812 0.000 0.983 492 K CA -1.464 54.304 56.287 -0.866 0.000 0.974 492 K CB 0.861 32.397 32.500 -1.606 0.000 0.913 492 K HN 0.301 nan 8.250 nan 0.000 0.493 493 P HA -0.137 nan 4.420 nan 0.000 0.219 493 P C 0.672 177.835 177.300 -0.228 0.000 1.146 493 P CA 1.300 64.180 63.100 -0.366 0.000 0.808 493 P CB -0.078 31.504 31.700 -0.197 0.000 0.779 494 W N -1.843 119.337 121.300 -0.199 0.000 3.256 494 W HA 0.332 5.035 4.660 0.071 0.000 0.269 494 W C -0.496 175.907 176.519 -0.193 0.000 1.310 494 W CA -0.263 56.959 57.345 -0.206 0.000 1.673 494 W CB -1.249 27.960 29.460 -0.419 0.000 1.115 494 W HN -0.386 nan 8.180 nan 0.000 0.686 495 V N 3.175 122.948 119.914 -0.234 0.000 2.372 495 V HA 0.552 4.715 4.120 0.071 0.000 0.261 495 V C 0.968 176.887 176.094 -0.293 0.000 1.055 495 V CA -0.312 61.865 62.300 -0.205 0.000 0.930 495 V CB -0.120 31.566 31.823 -0.229 0.000 1.031 495 V HN 0.214 nan 8.190 nan 0.000 0.479 496 G N 2.721 111.162 108.800 -0.597 0.000 2.425 496 G HA2 0.544 4.546 3.960 0.071 0.000 0.302 496 G HA3 0.544 4.546 3.960 0.071 0.000 0.302 496 G C 0.865 175.274 174.900 -0.817 0.000 1.159 496 G CA 0.191 44.692 45.100 -0.998 0.000 0.865 496 G HN 1.465 nan 8.290 nan 0.000 0.515 497 G N -1.036 107.585 108.800 -0.298 0.000 2.176 497 G HA2 -0.257 3.745 3.960 0.071 0.000 0.232 497 G HA3 -0.257 3.745 3.960 0.071 0.000 0.232 497 G C 0.173 175.117 174.900 0.073 0.000 0.986 497 G CA 0.545 45.655 45.100 0.016 0.000 0.643 497 G HN 1.141 nan 8.290 nan 0.000 0.522 498 Y N 3.137 123.387 120.300 -0.082 0.000 2.595 498 Y HA 0.463 5.073 4.550 0.100 0.000 0.347 498 Y C 1.847 177.719 175.900 -0.047 0.000 1.025 498 Y CA 0.476 58.539 58.100 -0.062 0.000 1.295 498 Y CB 0.696 39.098 38.460 -0.096 0.000 1.147 498 Y HN 0.256 nan 8.280 nan 0.000 0.515 499 T N 0.410 114.779 114.554 -0.309 0.000 2.985 499 T HA 0.086 4.479 4.350 0.071 0.000 0.266 499 T C 1.746 176.236 174.700 -0.350 0.000 1.076 499 T CA 0.787 62.748 62.100 -0.231 0.000 1.135 499 T CB -0.455 68.336 68.868 -0.128 0.000 0.890 499 T HN 1.168 nan 8.240 nan 0.000 0.480 500 G N 1.543 109.918 108.800 -0.708 0.000 2.168 500 G HA2 -0.290 3.713 3.960 0.071 0.000 0.263 500 G HA3 -0.290 3.713 3.960 0.071 0.000 0.263 500 G C 0.910 175.641 174.900 -0.283 0.000 0.977 500 G CA 0.558 45.328 45.100 -0.550 0.000 0.659 500 G HN 0.538 nan 8.290 nan 0.000 0.533 501 K N 0.077 120.342 120.400 -0.225 0.000 2.379 501 K HA 0.059 4.421 4.320 0.071 0.000 0.194 501 K C 0.501 177.035 176.600 -0.110 0.000 1.031 501 K CA 0.264 56.475 56.287 -0.126 0.000 1.037 501 K CB 0.298 32.746 32.500 -0.087 0.000 0.824 501 K HN 0.449 nan 8.250 nan 0.000 0.516 502 D N 2.297 122.616 120.400 -0.135 0.000 2.325 502 D HA 0.034 4.717 4.640 0.071 0.000 0.251 502 D C -1.622 174.666 176.300 -0.021 0.000 1.196 502 D CA -2.226 51.728 54.000 -0.077 0.000 0.866 502 D CB 1.422 42.188 40.800 -0.058 0.000 1.101 502 D HN -0.074 nan 8.370 nan 0.000 0.476 503 P HA -0.009 nan 4.420 nan 0.000 0.245 503 P C 1.005 178.425 177.300 0.200 0.000 1.212 503 P CA 0.414 63.592 63.100 0.131 0.000 0.774 503 P CB 0.374 32.154 31.700 0.135 0.000 0.999 504 L N -0.987 120.312 121.223 0.127 0.000 2.616 504 L HA 0.170 4.553 4.340 0.071 0.000 0.229 504 L C 0.544 177.511 176.870 0.162 0.000 1.110 504 L CA 0.178 55.102 54.840 0.140 0.000 0.884 504 L CB -0.878 41.222 42.059 0.069 0.000 1.115 504 L HN -0.002 nan 8.230 nan 0.000 0.481 505 D N 1.207 121.651 120.400 0.073 0.000 2.723 505 D HA -0.208 4.474 4.640 0.071 0.000 0.236 505 D C 0.054 176.357 176.300 0.005 0.000 1.138 505 D CA 0.282 54.277 54.000 -0.008 0.000 0.676 505 D CB -0.843 39.891 40.800 -0.110 0.000 1.069 505 D HN 0.147 nan 8.370 nan 0.000 0.430 506 N N 0.995 119.703 118.700 0.012 0.000 3.178 506 N HA 0.114 4.897 4.740 0.071 0.000 0.300 506 N C -0.158 175.312 175.510 -0.067 0.000 1.242 506 N CA -0.140 52.886 53.050 -0.041 0.000 1.192 506 N CB 0.009 38.520 38.487 0.041 0.000 1.463 506 N HN 0.311 nan 8.380 nan 0.000 0.539 507 I N 1.634 122.161 120.570 -0.073 0.000 2.529 507 I HA 0.082 4.295 4.170 0.071 0.000 0.284 507 I C 0.162 176.174 176.117 -0.175 0.000 1.082 507 I CA -0.784 60.525 61.300 0.014 0.000 1.406 507 I CB -0.306 37.752 38.000 0.096 0.000 1.405 507 I HN 0.161 nan 8.210 nan 0.000 0.548 508 Y N 4.439 124.784 120.300 0.075 0.000 2.341 508 Y HA 0.311 4.900 4.550 0.065 0.000 0.338 508 Y C 1.115 177.068 175.900 0.087 0.000 0.965 508 Y CA -0.707 57.437 58.100 0.074 0.000 1.108 508 Y CB 1.505 40.008 38.460 0.071 0.000 1.180 508 Y HN 0.288 nan 8.280 nan 0.000 0.458 509 V N 3.013 123.038 119.914 0.186 0.000 2.594 509 V HA -0.285 3.878 4.120 0.071 0.000 0.253 509 V C 2.066 178.326 176.094 0.276 0.000 1.069 509 V CA 2.122 64.497 62.300 0.124 0.000 1.082 509 V CB -0.526 31.207 31.823 -0.150 0.000 0.680 509 V HN 0.821 nan 8.190 nan 0.000 0.469 510 K N 0.422 121.052 120.400 0.382 0.000 2.360 510 K HA -0.166 4.196 4.320 0.071 0.000 0.201 510 K C 1.240 177.945 176.600 0.175 0.000 1.046 510 K CA 1.721 58.151 56.287 0.238 0.000 0.945 510 K CB -0.305 32.234 32.500 0.065 0.000 0.750 510 K HN 0.403 nan 8.250 nan 0.000 0.464 511 N N 0.618 119.437 118.700 0.198 0.000 2.336 511 N HA 0.159 4.942 4.740 0.071 0.000 0.189 511 N C 0.028 175.672 175.510 0.223 0.000 1.113 511 N CA 0.232 53.394 53.050 0.187 0.000 0.858 511 N CB 0.230 38.826 38.487 0.182 0.000 0.970 511 N HN 0.194 nan 8.380 nan 0.000 0.471 512 L N 0.300 121.645 121.223 0.203 0.000 2.365 512 L HA 0.486 4.869 4.340 0.071 0.000 0.267 512 L C -0.760 176.256 176.870 0.243 0.000 1.033 512 L CA -1.174 53.749 54.840 0.139 0.000 0.802 512 L CB 0.960 43.049 42.059 0.049 0.000 1.267 512 L HN 0.087 nan 8.230 nan 0.000 0.457 513 Y N -1.224 119.126 120.300 0.085 0.000 2.565 513 Y HA 0.539 5.119 4.550 0.050 0.000 0.330 513 Y C -1.216 174.747 175.900 0.105 0.000 1.150 513 Y CA -1.452 56.700 58.100 0.086 0.000 1.055 513 Y CB 0.629 39.134 38.460 0.076 0.000 1.337 513 Y HN 0.115 nan 8.280 nan 0.000 0.457 514 I N 4.486 125.194 120.570 0.231 0.000 2.325 514 I HA 0.303 4.516 4.170 0.071 0.000 0.291 514 I C 0.249 176.534 176.117 0.281 0.000 1.019 514 I CA -1.056 60.376 61.300 0.220 0.000 1.302 514 I CB 0.570 38.688 38.000 0.197 0.000 1.401 514 I HN 0.644 nan 8.210 nan 0.000 0.485 515 I N 5.332 126.075 120.570 0.288 0.000 2.519 515 I HA 0.106 4.319 4.170 0.071 0.000 0.287 515 I C 0.978 177.260 176.117 0.275 0.000 1.047 515 I CA -0.588 60.886 61.300 0.290 0.000 1.381 515 I CB 0.443 38.603 38.000 0.267 0.000 1.417 515 I HN 0.462 nan 8.210 nan 0.000 0.540 516 K N 6.148 126.656 120.400 0.181 0.000 2.437 516 K HA -0.022 4.340 4.320 0.071 0.000 0.277 516 K C -0.345 176.320 176.600 0.108 0.000 1.073 516 K CA 0.411 56.754 56.287 0.093 0.000 1.105 516 K CB 0.064 32.588 32.500 0.040 0.000 0.881 516 K HN 0.608 nan 8.250 nan 0.000 0.475 517 H N 0.000 118.973 119.070 -0.161 0.000 2.539 517 H HA 0.000 4.599 4.556 0.072 0.000 0.296 517 H CA 0.000 55.932 56.048 -0.194 0.000 1.023 517 H CB 0.000 29.569 29.762 -0.323 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496