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 1b1h_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 0.000 177.630 177.584 0.077 0.000 1.274 1 A CA 0.000 52.123 52.037 0.143 0.000 0.836 1 A CB 0.000 19.129 19.000 0.216 0.000 0.831 2 D N 1.951 122.404 120.400 0.087 0.000 2.477 2 D HA 0.407 5.091 4.640 0.073 0.000 0.239 2 D C -0.320 175.940 176.300 -0.066 0.000 1.102 2 D CA 0.063 54.077 54.000 0.022 0.000 0.901 2 D CB 1.524 42.356 40.800 0.053 0.000 1.026 2 D HN 0.267 nan 8.370 nan 0.000 0.515 3 V N 4.031 123.817 119.914 -0.213 0.000 2.439 3 V HA 0.150 4.314 4.120 0.073 0.000 0.271 3 V C -1.686 174.261 176.094 -0.244 0.000 1.040 3 V CA -1.223 60.787 62.300 -0.483 0.000 1.002 3 V CB 0.394 31.906 31.823 -0.518 0.000 1.000 3 V HN 0.311 nan 8.190 nan 0.000 0.477 4 P HA 0.143 nan 4.420 nan 0.000 0.265 4 P C -0.070 177.196 177.300 -0.057 0.000 1.187 4 P CA -0.001 63.065 63.100 -0.056 0.000 0.766 4 P CB 0.389 32.097 31.700 0.013 0.000 0.820 5 A N 2.707 125.510 122.820 -0.028 0.000 2.567 5 A HA 0.391 4.755 4.320 0.073 0.000 0.240 5 A C 1.608 179.185 177.584 -0.011 0.000 1.053 5 A CA 0.781 52.805 52.037 -0.021 0.000 0.755 5 A CB -1.205 17.790 19.000 -0.008 0.000 0.978 5 A HN 0.937 nan 8.150 nan 0.000 0.507 6 G N 0.539 109.332 108.800 -0.012 0.000 2.241 6 G HA2 -0.108 3.896 3.960 0.073 0.000 0.244 6 G HA3 -0.108 3.896 3.960 0.073 0.000 0.244 6 G C 0.688 175.593 174.900 0.008 0.000 0.998 6 G CA 0.608 45.709 45.100 0.001 0.000 0.621 6 G HN 2.387 nan 8.290 nan 0.000 0.519 7 V N 0.362 120.275 119.914 -0.001 0.000 2.614 7 V HA 0.658 4.822 4.120 0.073 0.000 0.291 7 V C 0.247 176.351 176.094 0.016 0.000 1.049 7 V CA -0.275 62.041 62.300 0.026 0.000 1.038 7 V CB 1.355 33.211 31.823 0.055 0.000 0.980 7 V HN 0.396 nan 8.190 nan 0.000 0.481 8 Q N 4.990 124.817 119.800 0.046 0.000 2.274 8 Q HA 0.525 4.909 4.340 0.073 0.000 0.256 8 Q C -0.807 175.232 176.000 0.064 0.000 0.927 8 Q CA -0.430 55.396 55.803 0.037 0.000 0.939 8 Q CB 1.959 30.717 28.738 0.034 0.000 1.201 8 Q HN 0.779 nan 8.270 nan 0.000 0.426 9 L N 1.709 122.960 121.223 0.046 0.000 2.350 9 L HA 0.472 4.856 4.340 0.073 0.000 0.275 9 L C 0.392 177.293 176.870 0.052 0.000 1.099 9 L CA -0.693 54.193 54.840 0.077 0.000 0.808 9 L CB 0.987 43.078 42.059 0.054 0.000 1.149 9 L HN 0.648 nan 8.230 nan 0.000 0.442 10 A N 1.437 124.297 122.820 0.066 0.000 2.425 10 A HA 0.052 4.416 4.320 0.073 0.000 0.242 10 A C 0.650 178.226 177.584 -0.013 0.000 1.077 10 A CA -0.297 51.735 52.037 -0.007 0.000 0.781 10 A CB 0.172 19.153 19.000 -0.030 0.000 1.020 10 A HN 0.843 nan 8.150 nan 0.000 0.494 11 D N -0.004 120.367 120.400 -0.049 0.000 2.117 11 D HA -0.045 4.639 4.640 0.073 0.000 0.198 11 D C 0.701 176.986 176.300 -0.025 0.000 0.982 11 D CA 1.492 55.470 54.000 -0.035 0.000 0.828 11 D CB 0.092 40.862 40.800 -0.051 0.000 0.967 11 D HN 0.578 nan 8.370 nan 0.000 0.464 12 K N 1.301 121.676 120.400 -0.042 0.000 2.253 12 K HA 0.100 4.464 4.320 0.073 0.000 0.277 12 K C -0.512 176.090 176.600 0.004 0.000 1.053 12 K CA -0.326 55.946 56.287 -0.025 0.000 0.892 12 K CB 0.606 33.077 32.500 -0.049 0.000 1.102 12 K HN -0.230 nan 8.250 nan 0.000 0.469 13 Q N 3.454 123.271 119.800 0.029 0.000 2.771 13 Q HA 0.118 4.502 4.340 0.073 0.000 0.239 13 Q C -0.702 175.332 176.000 0.057 0.000 1.231 13 Q CA -0.134 55.706 55.803 0.061 0.000 1.056 13 Q CB 1.059 29.845 28.738 0.080 0.000 1.284 13 Q HN 0.749 nan 8.270 nan 0.000 0.558 14 T N -1.554 113.024 114.554 0.040 0.000 2.907 14 T HA 0.771 5.165 4.350 0.073 0.000 0.292 14 T C -0.639 174.069 174.700 0.014 0.000 1.043 14 T CA -0.886 61.225 62.100 0.018 0.000 1.003 14 T CB 1.907 70.776 68.868 0.001 0.000 1.084 14 T HN 0.226 nan 8.240 nan 0.000 0.483 15 L N 1.748 122.948 121.223 -0.038 0.000 2.422 15 L HA 0.813 5.196 4.340 0.073 0.000 0.264 15 L C -1.525 175.264 176.870 -0.135 0.000 0.984 15 L CA -0.741 54.058 54.840 -0.068 0.000 0.819 15 L CB 2.397 44.387 42.059 -0.115 0.000 1.330 15 L HN 0.713 nan 8.230 nan 0.000 0.410 16 V N 4.858 124.701 119.914 -0.118 0.000 2.407 16 V HA 0.610 4.774 4.120 0.073 0.000 0.291 16 V C -0.345 175.641 176.094 -0.180 0.000 1.018 16 V CA -0.554 61.656 62.300 -0.151 0.000 0.842 16 V CB 1.590 33.368 31.823 -0.074 0.000 0.996 16 V HN 0.699 nan 8.190 nan 0.000 0.426 17 R N 2.948 123.268 120.500 -0.301 0.000 2.562 17 R HA 0.455 4.839 4.340 0.073 0.000 0.298 17 R C -0.538 175.677 176.300 -0.142 0.000 0.961 17 R CA -0.831 55.115 56.100 -0.256 0.000 0.881 17 R CB 1.875 31.909 30.300 -0.444 0.000 1.159 17 R HN 0.685 nan 8.270 nan 0.000 0.450 18 N N 0.778 119.457 118.700 -0.036 0.000 2.530 18 N HA 0.017 4.801 4.740 0.073 0.000 0.277 18 N C -0.093 175.449 175.510 0.053 0.000 1.168 18 N CA 0.029 53.081 53.050 0.003 0.000 0.979 18 N CB 0.823 39.325 38.487 0.024 0.000 1.141 18 N HN 0.478 nan 8.380 nan 0.000 0.459 19 N N 1.074 119.742 118.700 -0.053 0.000 2.241 19 N HA 0.234 5.018 4.740 0.073 0.000 0.238 19 N C 0.684 175.741 175.510 -0.756 0.000 1.244 19 N CA 0.539 53.484 53.050 -0.175 0.000 0.880 19 N CB 0.143 38.625 38.487 -0.007 0.000 1.179 19 N HN 0.759 nan 8.380 nan 0.000 0.513 20 G N -0.134 108.146 108.800 -0.865 0.000 2.609 20 G HA2 -0.317 3.687 3.960 0.073 0.000 0.235 20 G HA3 -0.317 3.687 3.960 0.073 0.000 0.235 20 G C 0.138 174.689 174.900 -0.582 0.000 1.177 20 G CA 0.841 45.317 45.100 -1.039 0.000 0.707 20 G HN 1.073 nan 8.290 nan 0.000 0.513 21 S N -1.173 114.232 115.700 -0.492 0.000 2.636 21 S HA 0.552 5.066 4.470 0.073 0.000 0.266 21 S C -1.016 173.503 174.600 -0.135 0.000 1.147 21 S CA 0.173 58.211 58.200 -0.270 0.000 0.815 21 S CB 2.028 65.028 63.200 -0.333 0.000 1.119 21 S HN 1.138 nan 8.310 nan 0.000 0.470 22 E N 1.475 121.687 120.200 0.020 0.000 2.344 22 E HA 0.418 4.812 4.350 0.073 0.000 0.270 22 E C 0.309 177.014 176.600 0.175 0.000 1.021 22 E CA -0.532 55.933 56.400 0.108 0.000 0.887 22 E CB 0.723 30.513 29.700 0.151 0.000 0.997 22 E HN 0.913 nan 8.360 nan 0.000 0.429 23 V N 2.643 122.634 119.914 0.128 0.000 2.963 23 V HA -0.006 4.158 4.120 0.073 0.000 0.306 23 V C 1.099 177.328 176.094 0.224 0.000 1.077 23 V CA 0.000 62.383 62.300 0.138 0.000 1.124 23 V CB 0.964 32.754 31.823 -0.055 0.000 0.987 23 V HN 0.877 nan 8.190 nan 0.000 0.487 24 Q N 1.600 121.526 119.800 0.210 0.000 2.084 24 Q HA 0.049 4.433 4.340 0.073 0.000 0.202 24 Q C 1.061 177.154 176.000 0.155 0.000 0.978 24 Q CA 1.771 57.664 55.803 0.149 0.000 0.844 24 Q CB 0.134 28.924 28.738 0.087 0.000 0.898 24 Q HN 1.001 nan 8.270 nan 0.000 0.426 25 S N -2.538 113.233 115.700 0.118 0.000 2.645 25 S HA 0.262 4.776 4.470 0.073 0.000 0.268 25 S C -1.016 173.540 174.600 -0.073 0.000 1.110 25 S CA -0.787 57.482 58.200 0.115 0.000 0.823 25 S CB 0.131 63.372 63.200 0.068 0.000 1.091 25 S HN 0.162 nan 8.310 nan 0.000 0.466 26 L N 1.288 122.421 121.223 -0.152 0.000 2.693 26 L HA 0.390 4.774 4.340 0.073 0.000 0.235 26 L C 0.139 176.902 176.870 -0.179 0.000 1.127 26 L CA -0.074 54.620 54.840 -0.242 0.000 0.914 26 L CB 0.279 42.112 42.059 -0.377 0.000 1.193 26 L HN 0.580 nan 8.230 nan 0.000 0.502 27 D N 1.468 121.766 120.400 -0.169 0.000 2.325 27 D HA 0.111 4.795 4.640 0.073 0.000 0.251 27 D C -1.679 174.562 176.300 -0.099 0.000 1.196 27 D CA -1.893 52.062 54.000 -0.075 0.000 0.866 27 D CB 1.924 42.784 40.800 0.100 0.000 1.101 27 D HN -0.117 nan 8.370 nan 0.000 0.476 28 P HA -0.117 nan 4.420 nan 0.000 0.218 28 P C 0.320 177.535 177.300 -0.141 0.000 1.146 28 P CA 1.297 64.219 63.100 -0.297 0.000 0.813 28 P CB 0.058 31.454 31.700 -0.506 0.000 0.778 29 H N -1.743 117.314 119.070 -0.022 0.000 2.539 29 H HA 0.177 4.777 4.556 0.073 0.000 0.269 29 H C 1.169 176.519 175.328 0.037 0.000 0.980 29 H CA 0.062 56.111 56.048 0.002 0.000 1.152 29 H CB 0.311 30.077 29.762 0.006 0.000 1.407 29 H HN -0.018 nan 8.280 nan 0.000 0.564 30 K N 0.931 121.413 120.400 0.135 0.000 2.402 30 K HA 0.189 4.553 4.320 0.073 0.000 0.204 30 K C 0.376 177.026 176.600 0.083 0.000 1.056 30 K CA 0.055 56.402 56.287 0.101 0.000 1.069 30 K CB 1.080 33.632 32.500 0.087 0.000 0.888 30 K HN 0.365 nan 8.250 nan 0.000 0.546 31 I N -0.848 119.770 120.570 0.079 0.000 2.676 31 I HA 0.293 4.507 4.170 0.073 0.000 0.309 31 I C 0.390 176.620 176.117 0.188 0.000 0.990 31 I CA -0.507 60.841 61.300 0.081 0.000 1.168 31 I CB 1.435 39.435 38.000 0.001 0.000 1.343 31 I HN 0.025 nan 8.210 nan 0.000 0.482 32 E N 2.438 122.762 120.200 0.206 0.000 2.744 32 E HA 0.344 4.738 4.350 0.073 0.000 0.210 32 E C 0.160 176.923 176.600 0.272 0.000 0.950 32 E CA -0.502 56.128 56.400 0.382 0.000 1.282 32 E CB 0.714 30.605 29.700 0.318 0.000 1.123 32 E HN 0.838 nan 8.360 nan 0.000 0.544 33 G N 0.340 109.272 108.800 0.220 0.000 2.788 33 G HA2 0.398 4.402 3.960 0.073 0.000 0.293 33 G HA3 0.398 4.402 3.960 0.073 0.000 0.293 33 G C 0.711 175.704 174.900 0.154 0.000 1.305 33 G CA -0.544 44.737 45.100 0.302 0.000 1.005 33 G HN -0.054 nan 8.290 nan 0.000 0.496 34 V N 0.995 120.994 119.914 0.142 0.000 2.307 34 V HA -0.066 4.098 4.120 0.073 0.000 0.245 34 V C -0.202 175.896 176.094 0.008 0.000 1.045 34 V CA 2.141 64.465 62.300 0.040 0.000 1.024 34 V CB -0.856 31.006 31.823 0.066 0.000 0.651 34 V HN 0.509 nan 8.190 nan 0.000 0.449 35 P HA -0.117 nan 4.420 nan 0.000 0.215 35 P C 1.445 178.656 177.300 -0.148 0.000 1.153 35 P CA 1.247 64.248 63.100 -0.166 0.000 0.853 35 P CB 0.038 31.521 31.700 -0.362 0.000 0.788 36 E N -0.665 119.512 120.200 -0.038 0.000 2.051 36 E HA -0.110 4.284 4.350 0.073 0.000 0.192 36 E C 2.148 178.649 176.600 -0.165 0.000 0.991 36 E CA 1.472 57.822 56.400 -0.083 0.000 0.799 36 E CB -1.115 28.593 29.700 0.013 0.000 0.748 36 E HN 0.130 nan 8.360 nan 0.000 0.449 37 S N 0.811 116.423 115.700 -0.147 0.000 2.402 37 S HA -0.086 4.428 4.470 0.073 0.000 0.229 37 S C 1.567 176.029 174.600 -0.230 0.000 1.021 37 S CA 0.727 58.804 58.200 -0.205 0.000 0.974 37 S CB -0.264 62.810 63.200 -0.211 0.000 0.800 37 S HN 0.240 nan 8.310 nan 0.000 0.484 38 N N 1.471 120.036 118.700 -0.225 0.000 2.069 38 N HA -0.064 4.720 4.740 0.073 0.000 0.191 38 N C 1.703 176.942 175.510 -0.452 0.000 1.031 38 N CA 1.050 53.941 53.050 -0.265 0.000 0.852 38 N CB -0.655 37.723 38.487 -0.182 0.000 1.018 38 N HN 0.229 nan 8.380 nan 0.000 0.423 39 V N 0.219 119.770 119.914 -0.605 0.000 2.379 39 V HA -0.108 4.056 4.120 0.073 0.000 0.245 39 V C 2.451 178.340 176.094 -0.342 0.000 1.044 39 V CA 1.365 63.253 62.300 -0.686 0.000 1.036 39 V CB -0.676 30.730 31.823 -0.695 0.000 0.664 39 V HN 0.288 nan 8.190 nan 0.000 0.453 40 S N -0.305 115.260 115.700 -0.225 0.000 2.374 40 S HA -0.250 4.264 4.470 0.073 0.000 0.227 40 S C 2.180 176.762 174.600 -0.030 0.000 1.037 40 S CA 1.713 59.884 58.200 -0.047 0.000 1.024 40 S CB -0.278 62.881 63.200 -0.069 0.000 0.861 40 S HN 0.530 nan 8.310 nan 0.000 0.456 41 R N 0.367 120.782 120.500 -0.141 0.000 2.152 41 R HA -0.053 4.331 4.340 0.073 0.000 0.232 41 R C 1.489 177.785 176.300 -0.007 0.000 1.117 41 R CA 1.466 57.487 56.100 -0.132 0.000 0.981 41 R CB -0.268 29.728 30.300 -0.506 0.000 0.870 41 R HN 0.423 nan 8.270 nan 0.000 0.451 42 D N 0.007 120.377 120.400 -0.050 0.000 2.277 42 D HA -0.026 4.658 4.640 0.073 0.000 0.208 42 D C 1.719 178.020 176.300 0.003 0.000 0.962 42 D CA 0.858 54.891 54.000 0.055 0.000 0.865 42 D CB 0.290 41.079 40.800 -0.019 0.000 0.939 42 D HN 0.221 nan 8.370 nan 0.000 0.510 43 L N -1.434 119.710 121.223 -0.131 0.000 2.388 43 L HA 0.169 4.553 4.340 0.073 0.000 0.209 43 L C -0.012 176.537 176.870 -0.535 0.000 1.061 43 L CA 0.306 54.913 54.840 -0.388 0.000 0.834 43 L CB 0.343 42.024 42.059 -0.630 0.000 1.029 43 L HN -0.176 nan 8.230 nan 0.000 0.473 44 F N -0.014 119.957 119.950 0.034 0.000 2.507 44 F HA 0.394 4.964 4.527 0.072 0.000 0.325 44 F C 0.032 175.868 175.800 0.061 0.000 1.116 44 F CA -0.844 57.186 58.000 0.049 0.000 0.930 44 F CB 1.609 40.647 39.000 0.063 0.000 1.146 44 F HN -0.190 nan 8.300 nan 0.000 0.447 45 E N 1.997 122.332 120.200 0.225 0.000 2.165 45 E HA 0.572 4.965 4.350 0.073 0.000 0.266 45 E C 0.075 176.844 176.600 0.282 0.000 0.889 45 E CA -0.507 56.044 56.400 0.252 0.000 0.756 45 E CB 1.304 31.179 29.700 0.292 0.000 1.131 45 E HN 0.825 nan 8.360 nan 0.000 0.411 46 G N 2.988 111.967 108.800 0.298 0.000 2.494 46 G HA2 0.097 4.101 3.960 0.073 0.000 0.270 46 G HA3 0.097 4.101 3.960 0.073 0.000 0.270 46 G C 0.891 175.940 174.900 0.249 0.000 1.423 46 G CA -0.454 44.875 45.100 0.382 0.000 1.055 46 G HN 0.606 nan 8.290 nan 0.000 0.536 47 L N -1.364 119.874 121.223 0.025 0.000 2.017 47 L HA 0.049 4.433 4.340 0.073 0.000 0.208 47 L C 0.593 177.394 176.870 -0.115 0.000 1.073 47 L CA 0.753 55.424 54.840 -0.282 0.000 0.745 47 L CB -0.485 41.175 42.059 -0.666 0.000 0.894 47 L HN 0.112 nan 8.230 nan 0.000 0.432 48 L N -1.298 119.879 121.223 -0.077 0.000 2.301 48 L HA 0.557 4.940 4.340 0.073 0.000 0.264 48 L C -0.286 176.654 176.870 0.116 0.000 1.016 48 L CA -0.486 54.352 54.840 -0.002 0.000 0.821 48 L CB 1.986 43.984 42.059 -0.102 0.000 1.346 48 L HN -0.039 nan 8.230 nan 0.000 0.429 49 I N -3.293 117.369 120.570 0.154 0.000 3.145 49 I HA 0.681 4.895 4.170 0.073 0.000 0.313 49 I C -0.538 175.679 176.117 0.168 0.000 1.122 49 I CA -0.746 60.646 61.300 0.154 0.000 0.987 49 I CB 2.230 40.191 38.000 -0.064 0.000 1.236 49 I HN 0.332 nan 8.210 nan 0.000 0.453 50 S N 1.753 117.598 115.700 0.242 0.000 2.562 50 S HA 0.244 4.758 4.470 0.073 0.000 0.275 50 S C -0.495 174.195 174.600 0.150 0.000 1.281 50 S CA -0.620 57.729 58.200 0.247 0.000 1.045 50 S CB 0.834 64.232 63.200 0.329 0.000 0.962 50 S HN 0.794 nan 8.310 nan 0.000 0.503 51 D N 0.750 121.252 120.400 0.170 0.000 2.376 51 D HA 0.025 4.708 4.640 0.073 0.000 0.268 51 D C 1.597 177.976 176.300 0.133 0.000 1.252 51 D CA -0.559 53.526 54.000 0.141 0.000 1.041 51 D CB -0.357 40.567 40.800 0.206 0.000 1.109 51 D HN 0.274 nan 8.370 nan 0.000 0.552 52 V N -3.317 116.669 119.914 0.121 0.000 3.078 52 V HA -0.041 4.123 4.120 0.073 0.000 0.265 52 V C 1.212 177.321 176.094 0.026 0.000 1.122 52 V CA 1.352 63.711 62.300 0.099 0.000 1.141 52 V CB -1.158 30.722 31.823 0.096 0.000 0.735 52 V HN 0.521 nan 8.190 nan 0.000 0.498 53 E N 0.384 120.572 120.200 -0.020 0.000 2.526 53 E HA 0.408 4.802 4.350 0.073 0.000 0.208 53 E C 1.574 178.006 176.600 -0.280 0.000 0.997 53 E CA 0.468 56.773 56.400 -0.157 0.000 0.961 53 E CB 0.856 30.459 29.700 -0.161 0.000 1.030 53 E HN 0.741 nan 8.360 nan 0.000 0.483 54 G N 1.740 110.451 108.800 -0.148 0.000 2.179 54 G HA2 -0.192 3.812 3.960 0.073 0.000 0.220 54 G HA3 -0.192 3.812 3.960 0.073 0.000 0.220 54 G C 0.030 174.914 174.900 -0.027 0.000 0.990 54 G CA -0.401 44.656 45.100 -0.073 0.000 0.646 54 G HN 0.311 nan 8.290 nan 0.000 0.517 55 H N 1.468 120.630 119.070 0.153 0.000 2.722 55 H HA 0.325 4.902 4.556 0.034 0.000 0.328 55 H C -2.310 173.150 175.328 0.221 0.000 1.067 55 H CA -1.425 54.732 56.048 0.183 0.000 1.447 55 H CB 0.586 30.453 29.762 0.175 0.000 1.469 55 H HN 0.125 nan 8.280 nan 0.000 0.544 56 P HA 0.018 nan 4.420 nan 0.000 0.264 56 P C -0.419 177.135 177.300 0.422 0.000 1.193 56 P CA 0.573 63.896 63.100 0.372 0.000 0.763 56 P CB 0.712 32.694 31.700 0.470 0.000 0.810 57 S N 3.659 119.582 115.700 0.371 0.000 2.638 57 S HA 0.567 5.080 4.470 0.073 0.000 0.274 57 S C -2.846 172.015 174.600 0.436 0.000 1.157 57 S CA -1.487 56.956 58.200 0.406 0.000 0.826 57 S CB 1.287 64.660 63.200 0.288 0.000 1.139 57 S HN 0.191 nan 8.310 nan 0.000 0.474 58 P HA 0.252 nan 4.420 nan 0.000 0.264 58 P C 0.000 177.493 177.300 0.322 0.000 1.193 58 P CA 0.297 63.675 63.100 0.463 0.000 0.763 58 P CB 0.411 32.313 31.700 0.337 0.000 0.810 59 G N 1.375 110.324 108.800 0.248 0.000 3.306 59 G HA2 0.121 4.125 3.960 0.073 0.000 0.202 59 G HA3 0.121 4.125 3.960 0.073 0.000 0.202 59 G C 0.984 175.978 174.900 0.157 0.000 1.673 59 G CA -0.266 44.999 45.100 0.276 0.000 0.776 59 G HN 0.259 nan 8.290 nan 0.000 0.740 60 V N 1.899 121.881 119.914 0.114 0.000 2.515 60 V HA 0.166 4.330 4.120 0.073 0.000 0.250 60 V C 1.830 177.864 176.094 -0.101 0.000 1.058 60 V CA 1.348 63.630 62.300 -0.031 0.000 1.064 60 V CB -0.822 31.056 31.823 0.092 0.000 0.675 60 V HN 0.609 nan 8.190 nan 0.000 0.461 61 A N 0.921 123.734 122.820 -0.012 0.000 2.362 61 A HA 0.290 4.654 4.320 0.073 0.000 0.276 61 A C 1.244 178.973 177.584 0.242 0.000 1.153 61 A CA -0.101 52.028 52.037 0.153 0.000 0.813 61 A CB 0.154 19.356 19.000 0.337 0.000 1.081 61 A HN 0.637 nan 8.150 nan 0.000 0.507 62 E N 2.659 122.945 120.200 0.145 0.000 2.318 62 E HA 0.051 4.445 4.350 0.073 0.000 0.193 62 E C 0.456 177.117 176.600 0.102 0.000 0.998 62 E CA 0.549 56.987 56.400 0.064 0.000 0.859 62 E CB 0.049 29.695 29.700 -0.090 0.000 0.812 62 E HN 0.624 nan 8.360 nan 0.000 0.492 63 K N 0.025 120.552 120.400 0.211 0.000 2.575 63 K HA 0.346 4.710 4.320 0.073 0.000 0.279 63 K C -2.089 174.723 176.600 0.353 0.000 0.969 63 K CA -0.852 55.429 56.287 -0.010 0.000 0.868 63 K CB 1.405 33.821 32.500 -0.141 0.000 1.457 63 K HN 0.164 nan 8.250 nan 0.000 0.426 64 W N 0.294 121.665 121.300 0.118 0.000 3.137 64 W HA 0.675 5.374 4.660 0.065 0.000 0.324 64 W C -1.400 175.086 176.519 -0.054 0.000 1.253 64 W CA -0.618 56.715 57.345 -0.020 0.000 1.183 64 W CB 0.968 30.312 29.460 -0.194 0.000 1.424 64 W HN 0.631 nan 8.180 nan 0.000 0.566 65 E N 1.131 121.363 120.200 0.053 0.000 2.433 65 E HA 0.530 4.923 4.350 0.073 0.000 0.273 65 E C -1.275 175.183 176.600 -0.237 0.000 0.950 65 E CA -1.185 55.166 56.400 -0.082 0.000 0.796 65 E CB 2.006 31.647 29.700 -0.099 0.000 1.330 65 E HN 0.529 nan 8.360 nan 0.000 0.455 66 N N -0.860 117.570 118.700 -0.450 0.000 2.284 66 N HA 0.550 5.334 4.740 0.073 0.000 0.289 66 N C -1.555 173.586 175.510 -0.615 0.000 1.179 66 N CA -1.070 51.478 53.050 -0.837 0.000 0.774 66 N CB 1.644 39.071 38.487 -1.767 0.000 1.548 66 N HN 0.171 nan 8.380 nan 0.000 0.473 67 K N 0.928 120.987 120.400 -0.569 0.000 2.367 67 K HA 0.337 4.701 4.320 0.073 0.000 0.263 67 K C -0.934 175.400 176.600 -0.443 0.000 1.000 67 K CA -0.239 55.797 56.287 -0.418 0.000 0.891 67 K CB 0.199 32.537 32.500 -0.271 0.000 1.117 67 K HN 0.651 nan 8.250 nan 0.000 0.443 68 D N 4.331 124.422 120.400 -0.515 0.000 2.983 68 D HA -0.243 4.441 4.640 0.073 0.000 0.225 68 D C -0.510 175.570 176.300 -0.367 0.000 1.174 68 D CA 1.310 55.041 54.000 -0.448 0.000 0.831 68 D CB -1.226 39.453 40.800 -0.202 0.000 1.104 68 D HN 0.709 nan 8.370 nan 0.000 0.421 69 F N -2.306 117.513 119.950 -0.219 0.000 3.034 69 F HA -0.322 4.248 4.527 0.072 0.000 0.286 69 F C 1.579 177.440 175.800 0.101 0.000 0.804 69 F CA 1.434 59.391 58.000 -0.071 0.000 1.161 69 F CB -2.138 36.959 39.000 0.163 0.000 1.317 69 F HN 0.221 nan 8.300 nan 0.000 0.453 70 K N -1.124 119.270 120.400 -0.011 0.000 2.403 70 K HA 0.410 4.774 4.320 0.073 0.000 0.199 70 K C 0.183 176.798 176.600 0.025 0.000 1.199 70 K CA 0.636 56.959 56.287 0.061 0.000 0.924 70 K CB 1.180 33.681 32.500 0.002 0.000 1.137 70 K HN -0.007 nan 8.250 nan 0.000 0.510 71 V N 1.850 121.671 119.914 -0.156 0.000 2.378 71 V HA 0.270 4.434 4.120 0.073 0.000 0.288 71 V C -1.543 174.411 176.094 -0.234 0.000 1.016 71 V CA -0.699 61.540 62.300 -0.102 0.000 0.840 71 V CB 0.784 32.541 31.823 -0.111 0.000 0.994 71 V HN 0.177 nan 8.190 nan 0.000 0.431 72 W N 2.533 123.781 121.300 -0.085 0.000 2.417 72 W HA 0.624 5.327 4.660 0.072 0.000 0.315 72 W C 0.201 176.549 176.519 -0.284 0.000 1.045 72 W CA -0.422 56.847 57.345 -0.125 0.000 1.221 72 W CB 1.914 31.457 29.460 0.139 0.000 1.309 72 W HN 0.373 nan 8.180 nan 0.000 0.453 73 T N 4.361 118.757 114.554 -0.264 0.000 2.770 73 T HA 0.481 4.875 4.350 0.073 0.000 0.283 73 T C -1.011 173.382 174.700 -0.513 0.000 0.988 73 T CA -0.476 61.439 62.100 -0.309 0.000 0.957 73 T CB 0.261 68.984 68.868 -0.242 0.000 0.930 73 T HN -0.020 nan 8.240 nan 0.000 0.443 74 F N 2.933 122.835 119.950 -0.081 0.000 2.411 74 F HA 0.317 4.887 4.527 0.071 0.000 0.352 74 F C 0.972 176.670 175.800 -0.170 0.000 1.123 74 F CA -1.024 56.980 58.000 0.006 0.000 1.044 74 F CB 0.971 40.014 39.000 0.072 0.000 1.135 74 F HN 0.503 nan 8.300 nan 0.000 0.461 75 H N 5.461 124.690 119.070 0.265 0.000 2.761 75 H HA 0.301 4.900 4.556 0.072 0.000 0.284 75 H C -0.147 175.255 175.328 0.123 0.000 1.105 75 H CA -0.331 55.808 56.048 0.151 0.000 1.352 75 H CB 0.804 30.612 29.762 0.076 0.000 1.423 75 H HN 0.462 nan 8.280 nan 0.000 0.464 76 L N 4.217 125.542 121.223 0.169 0.000 2.331 76 L HA 0.237 4.621 4.340 0.073 0.000 0.278 76 L C 1.179 178.046 176.870 -0.006 0.000 1.106 76 L CA -0.628 54.256 54.840 0.073 0.000 0.824 76 L CB 0.661 42.773 42.059 0.088 0.000 1.142 76 L HN 0.488 nan 8.230 nan 0.000 0.443 77 R N 2.294 122.710 120.500 -0.139 0.000 2.570 77 R HA 0.045 4.428 4.340 0.073 0.000 0.277 77 R C 0.258 176.418 176.300 -0.232 0.000 1.039 77 R CA -0.306 55.648 56.100 -0.243 0.000 1.065 77 R CB 0.672 30.694 30.300 -0.462 0.000 0.964 77 R HN 0.643 nan 8.270 nan 0.000 0.428 78 E N 1.596 121.623 120.200 -0.289 0.000 2.265 78 E HA -0.175 4.219 4.350 0.073 0.000 0.196 78 E C 0.478 176.990 176.600 -0.146 0.000 0.996 78 E CA 1.247 57.430 56.400 -0.362 0.000 0.832 78 E CB 0.009 29.490 29.700 -0.365 0.000 0.756 78 E HN 0.749 nan 8.360 nan 0.000 0.491 79 N N 0.598 119.237 118.700 -0.102 0.000 2.276 79 N HA 0.070 4.854 4.740 0.073 0.000 0.212 79 N C -0.224 175.307 175.510 0.036 0.000 1.127 79 N CA -0.031 53.015 53.050 -0.008 0.000 0.834 79 N CB 0.178 38.678 38.487 0.021 0.000 1.014 79 N HN -0.090 nan 8.380 nan 0.000 0.491 80 A N 0.755 123.562 122.820 -0.021 0.000 2.450 80 A HA 0.430 4.794 4.320 0.073 0.000 0.255 80 A C 0.054 177.680 177.584 0.072 0.000 1.096 80 A CA -0.038 52.017 52.037 0.029 0.000 0.778 80 A CB 0.298 19.266 19.000 -0.053 0.000 1.031 80 A HN 0.356 nan 8.150 nan 0.000 0.494 81 K N 1.195 121.652 120.400 0.095 0.000 2.482 81 K HA 0.410 4.774 4.320 0.073 0.000 0.257 81 K C -1.325 175.311 176.600 0.061 0.000 0.969 81 K CA -0.544 55.806 56.287 0.105 0.000 0.842 81 K CB 1.582 34.178 32.500 0.160 0.000 1.359 81 K HN 0.753 nan 8.250 nan 0.000 0.441 82 W N 0.422 121.808 121.300 0.143 0.000 2.089 82 W HA 0.044 4.750 4.660 0.077 0.000 0.362 82 W C 1.667 178.249 176.519 0.104 0.000 1.362 82 W CA -0.079 57.342 57.345 0.126 0.000 1.460 82 W CB 0.669 30.194 29.460 0.108 0.000 1.204 82 W HN 0.729 nan 8.180 nan 0.000 0.657 83 S N -0.545 115.380 115.700 0.375 0.000 2.507 83 S HA -0.210 4.304 4.470 0.073 0.000 0.235 83 S C 0.886 175.594 174.600 0.180 0.000 0.988 83 S CA 1.349 59.679 58.200 0.216 0.000 0.944 83 S CB -0.479 62.820 63.200 0.165 0.000 0.762 83 S HN 0.607 nan 8.310 nan 0.000 0.526 84 D N 0.056 120.581 120.400 0.209 0.000 2.339 84 D HA 0.279 4.963 4.640 0.073 0.000 0.217 84 D C 1.383 177.768 176.300 0.142 0.000 1.050 84 D CA 0.487 54.572 54.000 0.142 0.000 0.856 84 D CB -0.510 40.354 40.800 0.107 0.000 0.922 84 D HN 0.500 nan 8.370 nan 0.000 0.518 85 G N 0.301 109.209 108.800 0.180 0.000 2.195 85 G HA2 -0.274 3.730 3.960 0.073 0.000 0.246 85 G HA3 -0.274 3.730 3.960 0.073 0.000 0.246 85 G C 0.517 175.526 174.900 0.182 0.000 0.984 85 G CA 0.455 45.650 45.100 0.158 0.000 0.633 85 G HN 0.788 nan 8.290 nan 0.000 0.525 86 T N 0.024 114.716 114.554 0.229 0.000 2.913 86 T HA 0.595 4.989 4.350 0.073 0.000 0.297 86 T C -2.260 172.652 174.700 0.353 0.000 1.029 86 T CA -1.350 60.895 62.100 0.241 0.000 1.104 86 T CB 2.069 71.044 68.868 0.178 0.000 0.964 86 T HN 0.092 nan 8.240 nan 0.000 0.532 87 P HA 0.253 nan 4.420 nan 0.000 0.271 87 P C -0.613 176.901 177.300 0.356 0.000 1.218 87 P CA -0.553 62.711 63.100 0.273 0.000 0.780 87 P CB 0.408 32.248 31.700 0.234 0.000 0.901 88 V N 3.268 123.290 119.914 0.180 0.000 2.432 88 V HA 0.334 4.498 4.120 0.073 0.000 0.271 88 V C 0.915 177.133 176.094 0.207 0.000 1.046 88 V CA 0.170 62.528 62.300 0.097 0.000 0.945 88 V CB 0.466 32.185 31.823 -0.174 0.000 0.992 88 V HN 0.740 nan 8.190 nan 0.000 0.471 89 T N 1.943 116.647 114.554 0.250 0.000 2.883 89 T HA 0.683 5.077 4.350 0.073 0.000 0.284 89 T C 1.114 175.900 174.700 0.143 0.000 1.041 89 T CA -0.062 62.135 62.100 0.162 0.000 1.007 89 T CB 1.959 70.923 68.868 0.159 0.000 1.220 89 T HN 0.564 nan 8.240 nan 0.000 0.552 90 A N -0.166 122.627 122.820 -0.046 0.000 2.015 90 A HA -0.055 4.309 4.320 0.073 0.000 0.219 90 A C 2.110 179.648 177.584 -0.077 0.000 1.163 90 A CA 1.146 53.141 52.037 -0.070 0.000 0.646 90 A CB -1.278 17.670 19.000 -0.086 0.000 0.806 90 A HN 0.942 nan 8.150 nan 0.000 0.448 91 H N 0.450 119.602 119.070 0.136 0.000 2.421 91 H HA -0.103 4.497 4.556 0.074 0.000 0.298 91 H C 1.281 176.687 175.328 0.131 0.000 1.087 91 H CA 1.451 57.576 56.048 0.127 0.000 1.330 91 H CB -0.268 29.544 29.762 0.083 0.000 1.388 91 H HN 0.498 nan 8.280 nan 0.000 0.526 92 D N 0.512 121.039 120.400 0.213 0.000 2.117 92 D HA -0.122 4.562 4.640 0.073 0.000 0.197 92 D C 2.028 178.310 176.300 -0.030 0.000 0.987 92 D CA 0.813 54.900 54.000 0.145 0.000 0.829 92 D CB -0.418 40.505 40.800 0.205 0.000 0.961 92 D HN 0.279 nan 8.370 nan 0.000 0.460 93 F N 0.843 120.660 119.950 -0.221 0.000 2.186 93 F HA -0.132 4.438 4.527 0.072 0.000 0.299 93 F C 2.540 178.099 175.800 -0.403 0.000 1.090 93 F CA 0.383 58.002 58.000 -0.635 0.000 1.307 93 F CB -0.612 37.346 39.000 -1.735 0.000 1.019 93 F HN -0.189 nan 8.300 nan 0.000 0.489 94 V N -0.573 119.394 119.914 0.089 0.000 2.261 94 V HA -0.346 3.818 4.120 0.073 0.000 0.246 94 V C 2.100 178.341 176.094 0.244 0.000 1.047 94 V CA 2.136 64.607 62.300 0.285 0.000 1.015 94 V CB -0.925 31.084 31.823 0.311 0.000 0.642 94 V HN 0.412 nan 8.190 nan 0.000 0.446 95 Y N 1.473 121.847 120.300 0.124 0.000 2.128 95 Y HA -0.269 4.325 4.550 0.073 0.000 0.284 95 Y C 2.722 178.701 175.900 0.131 0.000 1.154 95 Y CA 1.995 60.154 58.100 0.099 0.000 1.149 95 Y CB -0.500 37.989 38.460 0.048 0.000 0.976 95 Y HN 0.225 nan 8.280 nan 0.000 0.505 96 S N -0.407 115.345 115.700 0.086 0.000 2.356 96 S HA -0.207 4.306 4.470 0.073 0.000 0.223 96 S C 1.542 176.289 174.600 0.244 0.000 1.032 96 S CA 1.498 59.775 58.200 0.128 0.000 1.005 96 S CB -0.724 62.611 63.200 0.225 0.000 0.867 96 S HN 0.650 nan 8.310 nan 0.000 0.449 97 W N 2.194 123.513 121.300 0.032 0.000 2.402 97 W HA 0.054 4.757 4.660 0.071 0.000 0.286 97 W C 2.448 178.934 176.519 -0.055 0.000 1.221 97 W CA -0.048 57.325 57.345 0.047 0.000 1.257 97 W CB -1.119 28.475 29.460 0.223 0.000 1.120 97 W HN 0.409 nan 8.180 nan 0.000 0.551 98 Q N -0.166 119.724 119.800 0.150 0.000 2.084 98 Q HA -0.199 4.185 4.340 0.073 0.000 0.202 98 Q C 2.309 178.224 176.000 -0.142 0.000 0.978 98 Q CA 1.719 57.530 55.803 0.014 0.000 0.844 98 Q CB -0.400 28.345 28.738 0.012 0.000 0.898 98 Q HN 0.261 nan 8.270 nan 0.000 0.426 99 R N 0.495 120.806 120.500 -0.316 0.000 2.081 99 R HA -0.165 4.219 4.340 0.073 0.000 0.235 99 R C 2.211 178.243 176.300 -0.446 0.000 1.131 99 R CA 0.962 56.829 56.100 -0.389 0.000 0.960 99 R CB -0.233 29.780 30.300 -0.479 0.000 0.856 99 R HN 0.222 nan 8.270 nan 0.000 0.436 100 L N 0.645 121.469 121.223 -0.665 0.000 2.042 100 L HA -0.082 4.302 4.340 0.073 0.000 0.210 100 L C 2.188 178.906 176.870 -0.254 0.000 1.076 100 L CA 2.219 56.698 54.840 -0.601 0.000 0.749 100 L CB -0.575 41.182 42.059 -0.503 0.000 0.893 100 L HN 0.258 nan 8.230 nan 0.000 0.432 101 A N -1.366 121.359 122.820 -0.157 0.000 1.968 101 A HA -0.121 4.243 4.320 0.073 0.000 0.217 101 A C 1.025 178.566 177.584 -0.071 0.000 1.169 101 A CA 0.727 52.715 52.037 -0.082 0.000 0.638 101 A CB -0.752 18.234 19.000 -0.023 0.000 0.812 101 A HN 0.512 nan 8.150 nan 0.000 0.446 102 D N 0.028 120.377 120.400 -0.084 0.000 2.434 102 D HA 0.114 4.798 4.640 0.073 0.000 0.252 102 D C -1.610 174.660 176.300 -0.050 0.000 1.185 102 D CA -1.822 52.144 54.000 -0.056 0.000 0.886 102 D CB 1.010 41.773 40.800 -0.061 0.000 1.148 102 D HN 0.036 nan 8.370 nan 0.000 0.483 103 P HA -0.114 nan 4.420 nan 0.000 0.219 103 P C 0.735 178.023 177.300 -0.020 0.000 1.146 103 P CA 0.740 63.824 63.100 -0.026 0.000 0.808 103 P CB 0.260 31.950 31.700 -0.016 0.000 0.779 104 N N -1.144 117.547 118.700 -0.014 0.000 2.309 104 N HA -0.067 4.717 4.740 0.073 0.000 0.182 104 N C 1.430 176.940 175.510 0.000 0.000 1.018 104 N CA 1.258 54.306 53.050 -0.003 0.000 0.876 104 N CB -1.047 37.443 38.487 0.004 0.000 0.972 104 N HN 0.185 nan 8.380 nan 0.000 0.434 105 T N 0.452 114.999 114.554 -0.012 0.000 2.995 105 T HA 0.132 4.526 4.350 0.073 0.000 0.269 105 T C 1.032 175.732 174.700 -0.000 0.000 1.091 105 T CA 0.774 62.875 62.100 0.001 0.000 1.128 105 T CB -0.213 68.634 68.868 -0.035 0.000 0.891 105 T HN 0.369 nan 8.240 nan 0.000 0.492 106 A N 1.725 124.532 122.820 -0.021 0.000 2.745 106 A HA -0.157 4.207 4.320 0.073 0.000 0.296 106 A C 0.919 178.479 177.584 -0.040 0.000 1.500 106 A CA 0.652 52.668 52.037 -0.034 0.000 0.766 106 A CB -2.258 16.723 19.000 -0.032 0.000 1.030 106 A HN 0.491 nan 8.150 nan 0.000 0.489 107 S N 0.354 116.035 115.700 -0.031 0.000 2.549 107 S HA 0.430 4.944 4.470 0.073 0.000 0.283 107 S C -0.072 174.509 174.600 -0.031 0.000 1.320 107 S CA -0.573 57.626 58.200 -0.002 0.000 1.058 107 S CB 0.630 63.834 63.200 0.006 0.000 0.882 107 S HN 0.468 nan 8.310 nan 0.000 0.498 108 P HA -0.041 nan 4.420 nan 0.000 0.226 108 P C 0.108 177.359 177.300 -0.081 0.000 1.153 108 P CA 0.986 64.023 63.100 -0.105 0.000 0.777 108 P CB -0.023 31.621 31.700 -0.093 0.000 0.794 109 Y N -0.577 119.727 120.300 0.008 0.000 2.607 109 Y HA 0.431 5.025 4.550 0.074 0.000 0.266 109 Y C 2.305 178.166 175.900 -0.065 0.000 1.178 109 Y CA -0.193 57.910 58.100 0.006 0.000 1.226 109 Y CB -0.455 38.024 38.460 0.032 0.000 1.144 109 Y HN -0.062 nan 8.280 nan 0.000 0.528 110 A N -0.648 122.180 122.820 0.013 0.000 1.948 110 A HA -0.219 4.145 4.320 0.073 0.000 0.220 110 A C 2.329 179.846 177.584 -0.112 0.000 1.177 110 A CA 2.282 54.286 52.037 -0.055 0.000 0.636 110 A CB -0.700 18.261 19.000 -0.066 0.000 0.815 110 A HN 0.328 nan 8.150 nan 0.000 0.449 111 S N -1.947 113.643 115.700 -0.182 0.000 2.547 111 S HA -0.075 4.439 4.470 0.073 0.000 0.235 111 S C 1.482 175.583 174.600 -0.831 0.000 0.980 111 S CA 0.678 58.642 58.200 -0.393 0.000 0.941 111 S CB -0.501 62.496 63.200 -0.339 0.000 0.763 111 S HN 0.643 nan 8.310 nan 0.000 0.532 112 Y N 2.092 122.016 120.300 -0.628 0.000 2.274 112 Y HA -0.035 4.557 4.550 0.071 0.000 0.290 112 Y C 1.645 177.317 175.900 -0.381 0.000 1.145 112 Y CA 1.003 58.786 58.100 -0.527 0.000 1.203 112 Y CB -0.269 38.107 38.460 -0.140 0.000 0.984 112 Y HN 0.229 nan 8.280 nan 0.000 0.533 113 L N -0.693 120.386 121.223 -0.239 0.000 2.395 113 L HA -0.167 4.217 4.340 0.073 0.000 0.218 113 L C 2.115 178.864 176.870 -0.201 0.000 1.130 113 L CA 0.845 55.570 54.840 -0.192 0.000 0.826 113 L CB -0.370 41.622 42.059 -0.112 0.000 0.941 113 L HN 0.254 nan 8.230 nan 0.000 0.451 114 Q N -1.058 118.578 119.800 -0.272 0.000 2.137 114 Q HA -0.129 4.255 4.340 0.073 0.000 0.198 114 Q C 2.056 177.843 176.000 -0.356 0.000 0.960 114 Q CA 1.091 56.744 55.803 -0.250 0.000 0.847 114 Q CB -0.017 28.636 28.738 -0.141 0.000 0.915 114 Q HN 0.422 nan 8.270 nan 0.000 0.448 115 Y N -0.071 120.049 120.300 -0.300 0.000 2.274 115 Y HA -0.058 4.535 4.550 0.072 0.000 0.290 115 Y C 2.346 178.050 175.900 -0.326 0.000 1.145 115 Y CA 1.109 59.044 58.100 -0.275 0.000 1.203 115 Y CB -0.992 37.375 38.460 -0.154 0.000 0.984 115 Y HN 0.127 nan 8.280 nan 0.000 0.533 116 G N -2.466 106.229 108.800 -0.175 0.000 2.985 116 G HA2 -0.024 3.980 3.960 0.073 0.000 0.209 116 G HA3 -0.024 3.980 3.960 0.073 0.000 0.209 116 G C -0.346 174.553 174.900 -0.003 0.000 1.165 116 G CA 0.127 45.238 45.100 0.018 0.000 0.776 116 G HN 0.639 nan 8.290 nan 0.000 0.541 117 H N -1.449 117.626 119.070 0.007 0.000 2.770 117 H HA -0.141 4.458 4.556 0.073 0.000 0.309 117 H C 0.022 175.326 175.328 -0.040 0.000 1.206 117 H CA -0.121 55.921 56.048 -0.010 0.000 1.147 117 H CB -1.873 27.881 29.762 -0.014 0.000 1.422 117 H HN 0.289 nan 8.280 nan 0.000 0.420 118 I N 0.765 121.350 120.570 0.025 0.000 2.648 118 I HA 0.139 4.353 4.170 0.073 0.000 0.284 118 I C 1.250 177.404 176.117 0.061 0.000 1.153 118 I CA 0.856 62.185 61.300 0.048 0.000 1.426 118 I CB 0.466 38.544 38.000 0.129 0.000 1.381 118 I HN 0.488 nan 8.210 nan 0.000 0.571 119 A N 5.452 128.304 122.820 0.053 0.000 2.531 119 A HA 0.163 4.527 4.320 0.073 0.000 0.236 119 A C 1.088 178.704 177.584 0.053 0.000 1.062 119 A CA 0.043 52.110 52.037 0.050 0.000 0.760 119 A CB -0.264 18.757 19.000 0.035 0.000 0.995 119 A HN 0.900 nan 8.150 nan 0.000 0.501 120 N N -0.626 118.102 118.700 0.047 0.000 2.936 120 N HA -0.221 4.563 4.740 0.073 0.000 0.236 120 N C 0.580 176.112 175.510 0.037 0.000 0.930 120 N CA 1.218 54.292 53.050 0.040 0.000 0.966 120 N CB -1.487 37.024 38.487 0.039 0.000 1.090 120 N HN 0.788 nan 8.380 nan 0.000 0.592 121 I N 1.697 122.290 120.570 0.037 0.000 2.208 121 I HA -0.189 4.025 4.170 0.073 0.000 0.245 121 I C 1.705 177.829 176.117 0.012 0.000 1.097 121 I CA 1.861 63.173 61.300 0.020 0.000 1.363 121 I CB -0.145 37.855 38.000 -0.000 0.000 1.051 121 I HN 0.060 nan 8.210 nan 0.000 0.413 122 D N 0.689 121.102 120.400 0.022 0.000 2.092 122 D HA -0.198 4.486 4.640 0.073 0.000 0.193 122 D C 1.871 178.181 176.300 0.017 0.000 0.994 122 D CA 1.612 55.624 54.000 0.021 0.000 0.828 122 D CB -0.461 40.360 40.800 0.036 0.000 0.963 122 D HN 0.370 nan 8.370 nan 0.000 0.450 123 D N -0.033 120.380 120.400 0.020 0.000 2.149 123 D HA -0.093 4.591 4.640 0.073 0.000 0.198 123 D C 2.237 178.545 176.300 0.013 0.000 0.990 123 D CA 0.401 54.411 54.000 0.017 0.000 0.839 123 D CB -0.241 40.571 40.800 0.020 0.000 0.948 123 D HN 0.270 nan 8.370 nan 0.000 0.460 124 I N 0.406 120.984 120.570 0.013 0.000 2.202 124 I HA -0.206 4.008 4.170 0.073 0.000 0.242 124 I C 2.325 178.441 176.117 -0.001 0.000 1.091 124 I CA 0.685 61.990 61.300 0.008 0.000 1.368 124 I CB -0.083 37.924 38.000 0.011 0.000 1.058 124 I HN -0.031 nan 8.210 nan 0.000 0.410 125 I N 0.769 121.335 120.570 -0.006 0.000 2.286 125 I HA -0.274 3.939 4.170 0.073 0.000 0.248 125 I C 2.568 178.682 176.117 -0.006 0.000 1.115 125 I CA 1.329 62.621 61.300 -0.013 0.000 1.392 125 I CB -0.453 37.536 38.000 -0.019 0.000 1.065 125 I HN 0.186 nan 8.210 nan 0.000 0.418 126 A N 0.226 123.046 122.820 0.000 0.000 2.168 126 A HA 0.182 4.546 4.320 0.073 0.000 0.215 126 A C 1.935 179.521 177.584 0.003 0.000 1.152 126 A CA 0.987 53.026 52.037 0.003 0.000 0.716 126 A CB -0.647 18.357 19.000 0.008 0.000 0.794 126 A HN 0.603 nan 8.150 nan 0.000 0.465 127 G N -0.807 107.995 108.800 0.003 0.000 2.143 127 G HA2 -0.295 3.709 3.960 0.073 0.000 0.249 127 G HA3 -0.295 3.709 3.960 0.073 0.000 0.249 127 G C 0.857 175.761 174.900 0.007 0.000 0.981 127 G CA 0.803 45.905 45.100 0.004 0.000 0.665 127 G HN 0.561 nan 8.290 nan 0.000 0.528 128 K N -0.392 120.013 120.400 0.009 0.000 2.243 128 K HA 0.144 4.508 4.320 0.073 0.000 0.201 128 K C 1.043 177.651 176.600 0.012 0.000 1.051 128 K CA 0.824 57.117 56.287 0.010 0.000 0.970 128 K CB 0.192 32.699 32.500 0.011 0.000 0.755 128 K HN 0.338 nan 8.250 nan 0.000 0.465 129 K N 0.944 121.352 120.400 0.014 0.000 2.375 129 K HA 0.303 4.666 4.320 0.073 0.000 0.249 129 K C -2.739 173.871 176.600 0.017 0.000 0.942 129 K CA -2.354 53.943 56.287 0.017 0.000 0.806 129 K CB 2.052 34.564 32.500 0.020 0.000 1.227 129 K HN -0.182 nan 8.250 nan 0.000 0.430 130 P HA 0.018 nan 4.420 nan 0.000 0.272 130 P C -0.055 177.259 177.300 0.024 0.000 1.240 130 P CA -0.114 62.997 63.100 0.019 0.000 0.791 130 P CB 0.869 32.582 31.700 0.023 0.000 0.978 131 A N 1.580 124.412 122.820 0.021 0.000 2.070 131 A HA -0.138 4.226 4.320 0.073 0.000 0.220 131 A C 1.861 179.472 177.584 0.045 0.000 1.159 131 A CA 2.152 54.203 52.037 0.024 0.000 0.656 131 A CB -1.933 17.068 19.000 0.002 0.000 0.800 131 A HN 0.685 nan 8.150 nan 0.000 0.453 132 T N -2.737 111.847 114.554 0.049 0.000 3.098 132 T HA -0.080 4.314 4.350 0.073 0.000 0.266 132 T C 0.768 175.504 174.700 0.060 0.000 1.145 132 T CA 1.435 63.572 62.100 0.063 0.000 1.092 132 T CB -0.364 68.539 68.868 0.058 0.000 0.908 132 T HN 0.358 nan 8.240 nan 0.000 0.526 133 D N 0.321 120.752 120.400 0.050 0.000 2.340 133 D HA 0.245 4.929 4.640 0.073 0.000 0.220 133 D C 0.389 176.722 176.300 0.055 0.000 1.039 133 D CA -0.211 53.817 54.000 0.046 0.000 0.866 133 D CB -0.196 40.626 40.800 0.036 0.000 0.913 133 D HN 0.335 nan 8.370 nan 0.000 0.523 134 L N 0.444 121.711 121.223 0.072 0.000 2.483 134 L HA 0.271 4.655 4.340 0.073 0.000 0.276 134 L C 1.234 178.159 176.870 0.091 0.000 1.213 134 L CA 0.164 55.059 54.840 0.093 0.000 0.843 134 L CB 0.785 42.922 42.059 0.130 0.000 1.107 134 L HN 0.029 nan 8.230 nan 0.000 0.487 135 G N 5.125 113.977 108.800 0.087 0.000 3.353 135 G HA2 0.413 4.417 3.960 0.073 0.000 0.247 135 G HA3 0.413 4.417 3.960 0.073 0.000 0.247 135 G C -0.484 174.437 174.900 0.036 0.000 1.025 135 G CA 0.410 45.543 45.100 0.056 0.000 1.863 135 G HN 0.760 nan 8.290 nan 0.000 0.635 136 V N -2.010 117.923 119.914 0.032 0.000 2.789 136 V HA 0.962 5.126 4.120 0.073 0.000 0.311 136 V C -0.701 175.364 176.094 -0.047 0.000 1.073 136 V CA -1.420 60.825 62.300 -0.091 0.000 0.921 136 V CB 2.033 33.867 31.823 0.018 0.000 1.009 136 V HN 0.525 nan 8.190 nan 0.000 0.426 137 K N 2.714 123.022 120.400 -0.153 0.000 2.556 137 K HA 0.901 5.265 4.320 0.073 0.000 0.274 137 K C -1.058 175.555 176.600 0.021 0.000 0.966 137 K CA -0.537 55.749 56.287 -0.001 0.000 0.865 137 K CB 2.415 34.919 32.500 0.005 0.000 1.444 137 K HN 1.348 nan 8.250 nan 0.000 0.433 138 A N 2.767 125.645 122.820 0.098 0.000 2.249 138 A HA 0.392 4.756 4.320 0.073 0.000 0.314 138 A C 0.624 178.224 177.584 0.028 0.000 1.290 138 A CA -0.951 51.103 52.037 0.029 0.000 0.893 138 A CB -0.125 18.741 19.000 -0.224 0.000 1.165 138 A HN 0.778 nan 8.150 nan 0.000 0.530 139 L N 0.979 122.208 121.223 0.010 0.000 2.240 139 L HA 0.096 4.480 4.340 0.073 0.000 0.211 139 L C 0.438 177.332 176.870 0.039 0.000 1.106 139 L CA 0.980 55.834 54.840 0.024 0.000 0.793 139 L CB -0.456 41.610 42.059 0.011 0.000 0.927 139 L HN 0.934 nan 8.230 nan 0.000 0.446 140 D N -4.807 115.599 120.400 0.011 0.000 2.779 140 D HA 0.055 4.739 4.640 0.073 0.000 0.331 140 D C -0.064 176.171 176.300 -0.109 0.000 1.331 140 D CA -0.635 53.374 54.000 0.017 0.000 0.866 140 D CB 0.175 41.001 40.800 0.042 0.000 1.409 140 D HN -0.348 nan 8.370 nan 0.000 0.486 141 D N -1.449 118.863 120.400 -0.145 0.000 2.221 141 D HA -0.103 4.581 4.640 0.073 0.000 0.204 141 D C 0.559 176.562 176.300 -0.495 0.000 0.982 141 D CA 1.273 55.060 54.000 -0.354 0.000 0.857 141 D CB -0.071 40.450 40.800 -0.465 0.000 0.934 141 D HN 0.397 nan 8.370 nan 0.000 0.475 142 H N -1.263 117.826 119.070 0.031 0.000 2.528 142 H HA 0.306 4.906 4.556 0.073 0.000 0.282 142 H C -0.179 175.179 175.328 0.049 0.000 1.097 142 H CA 0.117 56.189 56.048 0.039 0.000 1.121 142 H CB 0.394 30.189 29.762 0.054 0.000 1.590 142 H HN -0.124 nan 8.280 nan 0.000 0.553 143 T N 1.432 116.035 114.554 0.081 0.000 2.949 143 T HA 0.211 4.605 4.350 0.073 0.000 0.300 143 T C -1.173 173.575 174.700 0.080 0.000 0.988 143 T CA -0.526 61.610 62.100 0.059 0.000 0.993 143 T CB 1.231 70.125 68.868 0.045 0.000 0.984 143 T HN 0.056 nan 8.240 nan 0.000 0.442 144 F N 3.033 122.936 119.950 -0.079 0.000 2.426 144 F HA 0.581 5.151 4.527 0.072 0.000 0.348 144 F C -0.006 175.816 175.800 0.037 0.000 1.124 144 F CA -1.179 56.773 58.000 -0.080 0.000 1.008 144 F CB 1.094 39.966 39.000 -0.214 0.000 1.139 144 F HN 0.512 nan 8.300 nan 0.000 0.452 145 E N 5.884 125.832 120.200 -0.420 0.000 2.165 145 E HA 0.534 4.928 4.350 0.073 0.000 0.266 145 E C -1.834 174.514 176.600 -0.420 0.000 0.889 145 E CA -0.682 55.543 56.400 -0.292 0.000 0.756 145 E CB 1.767 31.374 29.700 -0.155 0.000 1.131 145 E HN 0.507 nan 8.360 nan 0.000 0.411 146 V N 3.799 123.602 119.914 -0.184 0.000 2.417 146 V HA 0.339 4.503 4.120 0.073 0.000 0.291 146 V C -0.138 175.968 176.094 0.020 0.000 1.024 146 V CA -0.590 61.656 62.300 -0.090 0.000 0.861 146 V CB 1.833 33.758 31.823 0.168 0.000 0.985 146 V HN 0.707 nan 8.190 nan 0.000 0.436 147 T N 6.681 121.229 114.554 -0.010 0.000 2.770 147 T HA 0.630 5.023 4.350 0.073 0.000 0.283 147 T C -0.248 174.448 174.700 -0.006 0.000 0.988 147 T CA -0.271 61.829 62.100 0.001 0.000 0.957 147 T CB 0.710 69.572 68.868 -0.009 0.000 0.930 147 T HN 0.343 nan 8.240 nan 0.000 0.443 148 L N 2.097 123.312 121.223 -0.013 0.000 2.375 148 L HA 0.452 4.836 4.340 0.073 0.000 0.268 148 L C 1.598 178.477 176.870 0.015 0.000 1.058 148 L CA -0.813 54.013 54.840 -0.024 0.000 0.803 148 L CB 1.348 43.366 42.059 -0.069 0.000 1.212 148 L HN 0.721 nan 8.230 nan 0.000 0.451 149 S N -0.944 114.780 115.700 0.039 0.000 2.558 149 S HA 0.075 4.589 4.470 0.073 0.000 0.217 149 S C 0.200 174.796 174.600 -0.007 0.000 0.975 149 S CA -0.203 58.012 58.200 0.026 0.000 0.912 149 S CB -0.291 62.939 63.200 0.051 0.000 0.776 149 S HN 0.777 nan 8.310 nan 0.000 0.526 150 E N -0.423 119.763 120.200 -0.024 0.000 2.423 150 E HA 0.476 4.870 4.350 0.073 0.000 0.280 150 E C -3.569 173.032 176.600 0.002 0.000 1.030 150 E CA -2.724 53.648 56.400 -0.045 0.000 0.812 150 E CB 0.350 29.971 29.700 -0.132 0.000 1.313 150 E HN -0.046 nan 8.360 nan 0.000 0.456 151 P HA 0.134 nan 4.420 nan 0.000 0.271 151 P C -0.810 176.543 177.300 0.089 0.000 1.220 151 P CA -0.289 62.906 63.100 0.159 0.000 0.768 151 P CB 0.696 32.526 31.700 0.216 0.000 0.848 152 V N 6.800 126.806 119.914 0.155 0.000 2.380 152 V HA 0.181 4.344 4.120 0.073 0.000 0.272 152 V C -1.719 174.376 176.094 0.002 0.000 1.011 152 V CA -1.303 60.936 62.300 -0.102 0.000 0.826 152 V CB 1.647 33.364 31.823 -0.177 0.000 1.040 152 V HN 0.414 nan 8.190 nan 0.000 0.441 153 P HA -0.111 nan 4.420 nan 0.000 0.220 153 P C 0.974 178.387 177.300 0.188 0.000 1.148 153 P CA 1.243 64.165 63.100 -0.296 0.000 0.803 153 P CB -0.004 31.348 31.700 -0.580 0.000 0.782 154 Y N -4.559 115.809 120.300 0.112 0.000 2.493 154 Y HA 0.336 4.929 4.550 0.072 0.000 0.275 154 Y C 1.754 177.517 175.900 -0.228 0.000 1.183 154 Y CA -0.993 57.084 58.100 -0.038 0.000 1.258 154 Y CB -1.369 37.064 38.460 -0.046 0.000 1.108 154 Y HN -0.216 nan 8.280 nan 0.000 0.521 155 F N 2.534 122.220 119.950 -0.439 0.000 2.087 155 F HA -0.306 4.266 4.527 0.076 0.000 0.299 155 F C 2.387 177.828 175.800 -0.598 0.000 1.100 155 F CA 1.861 59.485 58.000 -0.628 0.000 1.226 155 F CB -0.889 37.577 39.000 -0.890 0.000 0.983 155 F HN 0.330 nan 8.300 nan 0.000 0.479 156 Y N 0.028 119.885 120.300 -0.739 0.000 2.333 156 Y HA -0.079 4.512 4.550 0.068 0.000 0.290 156 Y C 2.003 177.691 175.900 -0.353 0.000 1.144 156 Y CA 1.357 59.107 58.100 -0.584 0.000 1.228 156 Y CB -1.429 36.882 38.460 -0.248 0.000 0.985 156 Y HN 0.044 nan 8.280 nan 0.000 0.542 157 K N 0.228 120.014 120.400 -1.023 0.000 2.209 157 K HA -0.098 4.266 4.320 0.073 0.000 0.204 157 K C 1.641 178.058 176.600 -0.305 0.000 1.048 157 K CA 1.387 57.349 56.287 -0.541 0.000 0.940 157 K CB -0.254 32.015 32.500 -0.384 0.000 0.729 157 K HN 0.276 nan 8.250 nan 0.000 0.451 158 L N 0.706 121.613 121.223 -0.527 0.000 2.201 158 L HA -0.116 4.268 4.340 0.073 0.000 0.212 158 L C 1.704 178.503 176.870 -0.118 0.000 1.105 158 L CA 1.365 55.950 54.840 -0.425 0.000 0.775 158 L CB -0.349 41.243 42.059 -0.778 0.000 0.913 158 L HN 0.144 nan 8.230 nan 0.000 0.440 159 L N -0.764 120.310 121.223 -0.249 0.000 2.622 159 L HA -0.050 4.334 4.340 0.073 0.000 0.233 159 L C 1.950 178.834 176.870 0.023 0.000 1.156 159 L CA 0.133 54.898 54.840 -0.124 0.000 0.866 159 L CB -0.605 41.289 42.059 -0.275 0.000 0.980 159 L HN 0.250 nan 8.230 nan 0.000 0.448 160 V N -4.880 115.079 119.914 0.074 0.000 3.541 160 V HA 0.005 4.169 4.120 0.073 0.000 0.267 160 V C 1.307 177.472 176.094 0.118 0.000 1.213 160 V CA 0.060 62.439 62.300 0.133 0.000 1.149 160 V CB -0.908 31.016 31.823 0.167 0.000 0.822 160 V HN 0.342 nan 8.190 nan 0.000 0.462 161 H N 1.735 120.787 119.070 -0.031 0.000 2.629 161 H HA 0.226 4.825 4.556 0.072 0.000 0.357 161 H C -1.800 173.388 175.328 -0.233 0.000 1.121 161 H CA -1.305 54.620 56.048 -0.206 0.000 1.406 161 H CB 2.138 31.634 29.762 -0.443 0.000 1.456 161 H HN 0.097 nan 8.280 nan 0.000 0.579 162 P HA -0.167 nan 4.420 nan 0.000 0.218 162 P C 1.555 178.636 177.300 -0.366 0.000 1.149 162 P CA 1.745 64.562 63.100 -0.472 0.000 0.817 162 P CB 0.092 31.489 31.700 -0.505 0.000 0.785 163 S N -0.672 114.753 115.700 -0.459 0.000 2.419 163 S HA -0.111 4.403 4.470 0.073 0.000 0.233 163 S C 1.554 176.118 174.600 -0.059 0.000 1.016 163 S CA 1.500 59.596 58.200 -0.174 0.000 0.974 163 S CB -1.643 61.418 63.200 -0.232 0.000 0.786 163 S HN 0.153 nan 8.310 nan 0.000 0.492 164 V N -1.025 118.836 119.914 -0.088 0.000 3.342 164 V HA 0.417 4.581 4.120 0.073 0.000 0.322 164 V C 0.407 176.711 176.094 0.350 0.000 1.370 164 V CA -0.625 61.664 62.300 -0.019 0.000 1.170 164 V CB -0.752 30.945 31.823 -0.211 0.000 1.101 164 V HN 0.272 nan 8.190 nan 0.000 0.442 165 S N 3.226 119.022 115.700 0.159 0.000 2.617 165 S HA 0.466 4.980 4.470 0.073 0.000 0.269 165 S C -2.212 172.397 174.600 0.015 0.000 1.292 165 S CA -0.561 57.725 58.200 0.144 0.000 1.010 165 S CB 1.137 64.384 63.200 0.077 0.000 0.944 165 S HN 0.483 nan 8.310 nan 0.000 0.536 166 P HA 0.318 nan 4.420 nan 0.000 0.277 166 P C -0.998 176.350 177.300 0.081 0.000 1.240 166 P CA -0.415 62.541 63.100 -0.239 0.000 0.798 166 P CB 0.772 32.093 31.700 -0.631 0.000 0.979 167 V N -1.682 118.280 119.914 0.080 0.000 2.823 167 V HA 0.630 4.794 4.120 0.073 0.000 0.312 167 V C -2.684 173.331 176.094 -0.131 0.000 1.072 167 V CA -3.048 59.205 62.300 -0.079 0.000 0.937 167 V CB 1.782 33.354 31.823 -0.418 0.000 1.013 167 V HN 0.368 nan 8.190 nan 0.000 0.430 168 P HA 0.268 nan 4.420 nan 0.000 0.284 168 P C 0.288 177.230 177.300 -0.597 0.000 1.343 168 P CA -0.252 62.377 63.100 -0.785 0.000 0.826 168 P CB 1.483 32.629 31.700 -0.922 0.000 0.956 169 K N 3.332 123.375 120.400 -0.596 0.000 2.059 169 K HA -0.208 4.156 4.320 0.073 0.000 0.212 169 K C 1.909 178.212 176.600 -0.495 0.000 1.050 169 K CA 2.501 58.313 56.287 -0.791 0.000 0.927 169 K CB -0.267 31.556 32.500 -1.128 0.000 0.714 169 K HN 0.452 nan 8.250 nan 0.000 0.447 170 S N 0.036 115.499 115.700 -0.394 0.000 2.382 170 S HA -0.117 4.397 4.470 0.073 0.000 0.228 170 S C 2.163 176.661 174.600 -0.171 0.000 1.027 170 S CA 1.002 59.048 58.200 -0.257 0.000 0.991 170 S CB -0.356 62.722 63.200 -0.205 0.000 0.823 170 S HN 0.421 nan 8.310 nan 0.000 0.469 171 A N 1.401 124.141 122.820 -0.132 0.000 1.929 171 A HA 0.167 4.531 4.320 0.073 0.000 0.216 171 A C 2.407 180.054 177.584 0.105 0.000 1.176 171 A CA 1.322 53.444 52.037 0.141 0.000 0.628 171 A CB -1.007 18.119 19.000 0.209 0.000 0.816 171 A HN 0.430 nan 8.150 nan 0.000 0.444 172 V N 0.271 120.021 119.914 -0.273 0.000 2.261 172 V HA -0.273 3.891 4.120 0.073 0.000 0.246 172 V C 2.414 178.460 176.094 -0.080 0.000 1.047 172 V CA 2.331 64.432 62.300 -0.331 0.000 1.015 172 V CB -0.825 30.714 31.823 -0.473 0.000 0.642 172 V HN 0.623 nan 8.190 nan 0.000 0.446 173 E N -0.322 119.801 120.200 -0.128 0.000 2.150 173 E HA -0.241 4.153 4.350 0.073 0.000 0.193 173 E C 2.251 178.776 176.600 -0.125 0.000 0.985 173 E CA 1.164 57.505 56.400 -0.098 0.000 0.814 173 E CB -0.062 29.558 29.700 -0.132 0.000 0.752 173 E HN 0.526 nan 8.360 nan 0.000 0.466 174 K N -0.060 120.213 120.400 -0.212 0.000 2.137 174 K HA -0.040 4.324 4.320 0.073 0.000 0.202 174 K C 1.057 177.342 176.600 -0.526 0.000 1.052 174 K CA 0.819 56.837 56.287 -0.448 0.000 0.961 174 K CB 0.208 32.283 32.500 -0.709 0.000 0.741 174 K HN 0.013 nan 8.250 nan 0.000 0.452 175 F N 0.032 120.029 119.950 0.078 0.000 2.706 175 F HA 0.317 4.888 4.527 0.073 0.000 0.308 175 F C 1.367 177.257 175.800 0.150 0.000 1.095 175 F CA 0.190 58.261 58.000 0.118 0.000 1.244 175 F CB 0.534 39.631 39.000 0.161 0.000 1.063 175 F HN 0.247 nan 8.300 nan 0.000 0.582 176 G N 1.967 110.933 108.800 0.277 0.000 2.622 176 G HA2 -0.469 3.535 3.960 0.073 0.000 0.307 176 G HA3 -0.469 3.535 3.960 0.073 0.000 0.307 176 G C 0.766 175.891 174.900 0.374 0.000 1.226 176 G CA 0.822 46.072 45.100 0.250 0.000 0.997 176 G HN 0.399 nan 8.290 nan 0.000 0.551 177 D N 0.486 121.039 120.400 0.255 0.000 2.378 177 D HA 0.084 4.768 4.640 0.073 0.000 0.227 177 D C 1.602 177.984 176.300 0.136 0.000 1.012 177 D CA 1.235 55.359 54.000 0.207 0.000 0.905 177 D CB 0.094 40.967 40.800 0.121 0.000 0.895 177 D HN 0.358 nan 8.370 nan 0.000 0.532 178 K N 0.353 120.863 120.400 0.183 0.000 2.372 178 K HA 0.069 4.432 4.320 0.073 0.000 0.200 178 K C 1.399 178.069 176.600 0.117 0.000 1.022 178 K CA -0.255 56.091 56.287 0.097 0.000 1.125 178 K CB -0.343 32.219 32.500 0.103 0.000 0.855 178 K HN 0.485 nan 8.250 nan 0.000 0.524 179 W N 1.858 123.244 121.300 0.144 0.000 2.364 179 W HA -0.170 4.533 4.660 0.072 0.000 0.281 179 W C 0.883 177.448 176.519 0.077 0.000 1.219 179 W CA 1.591 59.014 57.345 0.130 0.000 1.220 179 W CB -1.203 28.369 29.460 0.187 0.000 1.127 179 W HN 0.005 nan 8.180 nan 0.000 0.556 180 T N -0.909 113.314 114.554 -0.551 0.000 3.129 180 T HA 0.010 4.404 4.350 0.073 0.000 0.251 180 T C 0.905 175.559 174.700 -0.077 0.000 1.117 180 T CA 0.072 61.869 62.100 -0.505 0.000 1.034 180 T CB -0.157 68.336 68.868 -0.625 0.000 0.968 180 T HN -0.056 nan 8.240 nan 0.000 0.526 181 Q N 1.790 121.557 119.800 -0.054 0.000 2.421 181 Q HA 0.193 4.577 4.340 0.073 0.000 0.255 181 Q C -1.618 174.377 176.000 -0.008 0.000 1.013 181 Q CA -2.031 53.769 55.803 -0.004 0.000 0.895 181 Q CB 0.931 29.619 28.738 -0.082 0.000 1.271 181 Q HN 0.128 nan 8.270 nan 0.000 0.460 182 P HA -0.193 nan 4.420 nan 0.000 0.216 182 P C 0.635 177.923 177.300 -0.020 0.000 1.153 182 P CA 2.160 65.273 63.100 0.022 0.000 0.858 182 P CB 0.176 31.902 31.700 0.043 0.000 0.789 183 A N -1.200 121.582 122.820 -0.062 0.000 2.066 183 A HA -0.115 4.249 4.320 0.073 0.000 0.218 183 A C 1.866 179.350 177.584 -0.167 0.000 1.157 183 A CA 1.434 53.417 52.037 -0.090 0.000 0.670 183 A CB -0.755 18.188 19.000 -0.095 0.000 0.804 183 A HN 0.157 nan 8.150 nan 0.000 0.453 184 N N -1.110 117.437 118.700 -0.255 0.000 2.407 184 N HA 0.183 4.967 4.740 0.073 0.000 0.182 184 N C 0.475 175.948 175.510 -0.061 0.000 1.079 184 N CA -0.169 52.636 53.050 -0.409 0.000 0.882 184 N CB 0.171 38.138 38.487 -0.866 0.000 1.106 184 N HN 0.504 nan 8.380 nan 0.000 0.461 185 I N 1.787 122.377 120.570 0.033 0.000 2.754 185 I HA -0.002 4.212 4.170 0.073 0.000 0.285 185 I C -0.685 175.553 176.117 0.202 0.000 1.166 185 I CA 0.059 61.480 61.300 0.202 0.000 1.417 185 I CB 0.696 38.764 38.000 0.112 0.000 1.382 185 I HN -0.300 nan 8.210 nan 0.000 0.588 186 V N 5.798 125.900 119.914 0.314 0.000 2.525 186 V HA 0.420 4.583 4.120 0.073 0.000 0.299 186 V C -0.162 176.208 176.094 0.460 0.000 1.034 186 V CA -0.476 61.982 62.300 0.263 0.000 0.863 186 V CB 1.849 33.717 31.823 0.074 0.000 0.999 186 V HN 0.875 nan 8.190 nan 0.000 0.423 187 T N 0.202 114.986 114.554 0.385 0.000 2.916 187 T HA 0.478 4.872 4.350 0.073 0.000 0.292 187 T C 0.199 175.064 174.700 0.276 0.000 1.055 187 T CA -0.659 61.578 62.100 0.229 0.000 1.009 187 T CB 2.099 70.812 68.868 -0.257 0.000 1.118 187 T HN 0.629 nan 8.240 nan 0.000 0.497 188 N N -0.119 118.587 118.700 0.010 0.000 2.170 188 N HA 0.216 4.999 4.740 0.073 0.000 0.222 188 N C 0.626 176.116 175.510 -0.033 0.000 1.218 188 N CA -0.317 52.647 53.050 -0.143 0.000 0.889 188 N CB 0.388 38.453 38.487 -0.703 0.000 1.083 188 N HN 0.811 nan 8.380 nan 0.000 0.520 189 G N 0.011 108.728 108.800 -0.138 0.000 2.510 189 G HA2 0.515 4.519 3.960 0.073 0.000 0.280 189 G HA3 0.515 4.519 3.960 0.073 0.000 0.280 189 G C 0.812 175.325 174.900 -0.646 0.000 1.386 189 G CA -0.002 44.925 45.100 -0.288 0.000 1.047 189 G HN 0.211 nan 8.290 nan 0.000 0.527 190 A N -1.741 120.483 122.820 -0.992 0.000 2.121 190 A HA 0.272 4.636 4.320 0.073 0.000 0.218 190 A C 0.410 177.469 177.584 -0.875 0.000 1.154 190 A CA 0.873 52.228 52.037 -1.138 0.000 0.679 190 A CB -0.348 18.087 19.000 -0.942 0.000 0.795 190 A HN 0.455 nan 8.150 nan 0.000 0.458 191 Y N -1.124 119.030 120.300 -0.243 0.000 2.587 191 Y HA 0.581 5.172 4.550 0.069 0.000 0.337 191 Y C 0.279 176.097 175.900 -0.136 0.000 1.065 191 Y CA -0.901 57.115 58.100 -0.140 0.000 1.126 191 Y CB 1.536 39.933 38.460 -0.105 0.000 1.279 191 Y HN -0.077 nan 8.280 nan 0.000 0.489 192 K N 1.089 121.527 120.400 0.063 0.000 2.340 192 K HA 0.505 4.869 4.320 0.073 0.000 0.244 192 K C -1.762 174.851 176.600 0.021 0.000 0.973 192 K CA -1.228 55.066 56.287 0.012 0.000 0.828 192 K CB 2.544 35.060 32.500 0.027 0.000 1.226 192 K HN 0.404 nan 8.250 nan 0.000 0.437 193 L N 2.530 123.747 121.223 -0.011 0.000 2.281 193 L HA 0.171 4.555 4.340 0.073 0.000 0.285 193 L C 0.988 177.872 176.870 0.024 0.000 1.074 193 L CA 0.610 55.444 54.840 -0.010 0.000 0.817 193 L CB 0.642 42.683 42.059 -0.031 0.000 1.168 193 L HN 0.675 nan 8.230 nan 0.000 0.434 194 K N 3.446 123.866 120.400 0.033 0.000 2.108 194 K HA 0.200 4.563 4.320 0.073 0.000 0.204 194 K C -0.121 176.510 176.600 0.052 0.000 1.036 194 K CA 0.408 56.719 56.287 0.041 0.000 0.965 194 K CB 0.391 32.915 32.500 0.041 0.000 0.804 194 K HN 0.728 nan 8.250 nan 0.000 0.454 195 N N -0.744 117.996 118.700 0.066 0.000 2.242 195 N HA 0.114 4.898 4.740 0.073 0.000 0.292 195 N C -2.022 173.599 175.510 0.184 0.000 1.125 195 N CA -0.491 52.620 53.050 0.101 0.000 0.783 195 N CB 1.637 40.170 38.487 0.077 0.000 1.558 195 N HN 0.112 nan 8.380 nan 0.000 0.472 196 W N 2.633 123.919 121.300 -0.025 0.000 2.664 196 W HA 0.444 5.150 4.660 0.076 0.000 0.314 196 W C -2.006 174.498 176.519 -0.025 0.000 1.010 196 W CA -0.670 56.658 57.345 -0.028 0.000 1.306 196 W CB 0.378 29.811 29.460 -0.045 0.000 1.254 196 W HN 0.099 nan 8.180 nan 0.000 0.404 197 V N 6.904 126.989 119.914 0.285 0.000 2.313 197 V HA 0.232 4.396 4.120 0.073 0.000 0.278 197 V C 0.324 176.480 176.094 0.103 0.000 1.017 197 V CA -1.014 61.333 62.300 0.078 0.000 0.823 197 V CB 1.127 32.985 31.823 0.059 0.000 1.010 197 V HN 0.194 nan 8.190 nan 0.000 0.443 198 V N 5.722 125.594 119.914 -0.070 0.000 2.644 198 V HA -0.004 4.160 4.120 0.073 0.000 0.305 198 V C 1.274 177.395 176.094 0.044 0.000 1.053 198 V CA 0.972 63.268 62.300 -0.007 0.000 1.186 198 V CB -0.605 31.132 31.823 -0.143 0.000 0.895 198 V HN 1.150 nan 8.190 nan 0.000 0.490 199 N N 1.917 120.671 118.700 0.090 0.000 2.800 199 N HA -0.221 4.563 4.740 0.073 0.000 0.250 199 N C 0.882 176.422 175.510 0.050 0.000 1.078 199 N CA 1.142 54.227 53.050 0.060 0.000 0.804 199 N CB -0.425 38.082 38.487 0.034 0.000 1.135 199 N HN 0.899 nan 8.380 nan 0.000 0.565 200 E N -0.187 120.054 120.200 0.069 0.000 3.596 200 E HA 0.249 4.643 4.350 0.073 0.000 0.188 200 E C -0.007 176.630 176.600 0.062 0.000 1.232 200 E CA 0.064 56.496 56.400 0.052 0.000 1.460 200 E CB 0.774 30.499 29.700 0.043 0.000 1.513 200 E HN 0.351 nan 8.360 nan 0.000 0.530 201 R N -0.092 120.466 120.500 0.097 0.000 2.690 201 R HA 0.484 4.868 4.340 0.073 0.000 0.269 201 R C -1.637 174.742 176.300 0.131 0.000 1.037 201 R CA -0.686 55.467 56.100 0.088 0.000 0.877 201 R CB 0.648 30.979 30.300 0.051 0.000 1.255 201 R HN 0.002 nan 8.270 nan 0.000 0.467 202 I N 1.962 122.578 120.570 0.077 0.000 2.436 202 I HA 0.397 4.611 4.170 0.073 0.000 0.289 202 I C -0.811 175.330 176.117 0.040 0.000 1.010 202 I CA -1.251 60.064 61.300 0.026 0.000 1.098 202 I CB 2.340 40.257 38.000 -0.139 0.000 1.266 202 I HN 0.314 nan 8.210 nan 0.000 0.434 203 V N 7.322 127.255 119.914 0.033 0.000 2.448 203 V HA 0.485 4.649 4.120 0.073 0.000 0.295 203 V C -0.110 175.993 176.094 0.016 0.000 1.025 203 V CA -0.532 61.779 62.300 0.018 0.000 0.859 203 V CB 1.830 33.666 31.823 0.022 0.000 0.988 203 V HN 0.468 nan 8.190 nan 0.000 0.431 204 L N 4.996 126.221 121.223 0.004 0.000 2.334 204 L HA 0.748 5.132 4.340 0.073 0.000 0.273 204 L C -0.061 176.870 176.870 0.100 0.000 1.013 204 L CA -0.567 54.291 54.840 0.031 0.000 0.816 204 L CB 2.034 44.080 42.059 -0.022 0.000 1.278 204 L HN 0.787 nan 8.230 nan 0.000 0.431 205 E N 1.864 122.172 120.200 0.180 0.000 2.312 205 E HA 0.411 4.805 4.350 0.073 0.000 0.267 205 E C -0.852 175.886 176.600 0.230 0.000 0.894 205 E CA -1.132 55.390 56.400 0.203 0.000 0.773 205 E CB 2.175 31.934 29.700 0.097 0.000 1.241 205 E HN 0.456 nan 8.360 nan 0.000 0.432 206 R N 1.730 122.312 120.500 0.137 0.000 2.566 206 R HA -0.099 4.284 4.340 0.073 0.000 0.273 206 R C -0.632 175.589 176.300 -0.132 0.000 0.981 206 R CA 0.170 56.166 56.100 -0.173 0.000 1.091 206 R CB 0.229 30.467 30.300 -0.103 0.000 0.924 206 R HN 0.593 nan 8.270 nan 0.000 0.411 207 N N 6.124 124.686 118.700 -0.231 0.000 2.500 207 N HA 0.173 4.957 4.740 0.073 0.000 0.236 207 N C -1.945 173.542 175.510 -0.039 0.000 1.022 207 N CA -2.398 50.597 53.050 -0.092 0.000 0.935 207 N CB 1.432 39.862 38.487 -0.095 0.000 1.147 207 N HN 0.401 nan 8.380 nan 0.000 0.512 208 P HA -0.114 nan 4.420 nan 0.000 0.225 208 P C 0.507 177.832 177.300 0.042 0.000 1.148 208 P CA 1.009 64.116 63.100 0.012 0.000 0.779 208 P CB 0.524 32.234 31.700 0.016 0.000 0.780 209 Q N -1.480 118.363 119.800 0.071 0.000 2.389 209 Q HA -0.041 4.343 4.340 0.073 0.000 0.204 209 Q C 0.632 176.709 176.000 0.129 0.000 0.944 209 Q CA -0.020 55.843 55.803 0.100 0.000 0.908 209 Q CB -0.797 28.017 28.738 0.126 0.000 1.002 209 Q HN 0.346 nan 8.270 nan 0.000 0.493 210 Y N 2.445 122.721 120.300 -0.039 0.000 2.810 210 Y HA -0.193 4.398 4.550 0.069 0.000 0.332 210 Y C 1.348 177.208 175.900 -0.067 0.000 1.243 210 Y CA -0.466 57.584 58.100 -0.084 0.000 1.537 210 Y CB 0.297 38.626 38.460 -0.218 0.000 1.265 210 Y HN 0.240 nan 8.280 nan 0.000 0.572 211 W N 4.101 125.093 121.300 -0.515 0.000 2.350 211 W HA -0.190 4.511 4.660 0.069 0.000 0.289 211 W C 0.267 176.487 176.519 -0.499 0.000 1.215 211 W CA 1.346 58.428 57.345 -0.437 0.000 1.236 211 W CB -0.375 28.878 29.460 -0.346 0.000 1.130 211 W HN 0.526 nan 8.180 nan 0.000 0.541 212 D N 0.736 120.056 120.400 -1.800 0.000 2.427 212 D HA -0.019 4.665 4.640 0.073 0.000 0.224 212 D C 1.471 177.466 176.300 -0.508 0.000 1.157 212 D CA 0.032 53.303 54.000 -1.215 0.000 0.828 212 D CB -0.634 39.120 40.800 -1.744 0.000 0.974 212 D HN 0.008 nan 8.370 nan 0.000 0.498 213 N N 0.502 119.026 118.700 -0.293 0.000 2.132 213 N HA -0.224 4.560 4.740 0.073 0.000 0.191 213 N C 1.661 177.130 175.510 -0.069 0.000 1.015 213 N CA 1.698 54.710 53.050 -0.063 0.000 0.864 213 N CB -0.025 38.444 38.487 -0.030 0.000 1.006 213 N HN 0.165 nan 8.380 nan 0.000 0.430 214 A N 0.063 122.834 122.820 -0.082 0.000 2.024 214 A HA -0.125 4.239 4.320 0.073 0.000 0.220 214 A C 1.946 179.504 177.584 -0.044 0.000 1.164 214 A CA 1.351 53.359 52.037 -0.049 0.000 0.643 214 A CB -0.291 18.686 19.000 -0.038 0.000 0.806 214 A HN 0.390 nan 8.150 nan 0.000 0.451 215 K N -0.565 119.797 120.400 -0.064 0.000 2.393 215 K HA 0.056 4.420 4.320 0.073 0.000 0.193 215 K C -0.125 176.471 176.600 -0.006 0.000 1.026 215 K CA 0.174 56.439 56.287 -0.037 0.000 1.064 215 K CB 0.116 32.584 32.500 -0.053 0.000 0.833 215 K HN 0.309 nan 8.250 nan 0.000 0.521 216 T N 0.976 115.522 114.554 -0.013 0.000 2.901 216 T HA 0.059 4.453 4.350 0.073 0.000 0.301 216 T C 1.275 175.998 174.700 0.038 0.000 1.012 216 T CA -0.156 61.949 62.100 0.008 0.000 1.135 216 T CB 1.732 70.555 68.868 -0.076 0.000 0.936 216 T HN -0.190 nan 8.240 nan 0.000 0.539 217 V N 2.818 122.790 119.914 0.097 0.000 2.911 217 V HA 0.168 4.332 4.120 0.073 0.000 0.237 217 V C 0.986 177.159 176.094 0.131 0.000 1.156 217 V CA 0.165 62.531 62.300 0.109 0.000 1.180 217 V CB 0.144 32.056 31.823 0.147 0.000 0.932 217 V HN 0.719 nan 8.190 nan 0.000 0.483 218 I N 2.736 123.417 120.570 0.184 0.000 2.598 218 I HA 0.056 4.270 4.170 0.073 0.000 0.284 218 I C 0.994 177.252 176.117 0.234 0.000 1.140 218 I CA 0.596 62.010 61.300 0.189 0.000 1.420 218 I CB 0.389 38.494 38.000 0.176 0.000 1.387 218 I HN 0.328 nan 8.210 nan 0.000 0.553 219 N N 4.379 123.174 118.700 0.159 0.000 2.415 219 N HA -0.012 4.772 4.740 0.073 0.000 0.176 219 N C 0.434 176.051 175.510 0.179 0.000 1.042 219 N CA 0.489 53.625 53.050 0.144 0.000 0.902 219 N CB 0.626 39.158 38.487 0.075 0.000 0.986 219 N HN 0.656 nan 8.380 nan 0.000 0.447 220 Q N 0.389 120.266 119.800 0.130 0.000 2.320 220 Q HA 0.417 4.801 4.340 0.073 0.000 0.272 220 Q C -2.143 173.827 176.000 -0.051 0.000 1.023 220 Q CA -0.460 55.380 55.803 0.061 0.000 0.855 220 Q CB 2.426 31.183 28.738 0.031 0.000 1.367 220 Q HN -0.107 nan 8.270 nan 0.000 0.406 221 V N 2.583 122.405 119.914 -0.154 0.000 2.709 221 V HA 0.721 4.885 4.120 0.073 0.000 0.308 221 V C -1.339 174.613 176.094 -0.238 0.000 1.062 221 V CA -0.034 62.104 62.300 -0.270 0.000 0.901 221 V CB 2.415 33.965 31.823 -0.455 0.000 1.003 221 V HN 0.893 nan 8.190 nan 0.000 0.425 222 T N 6.446 120.840 114.554 -0.266 0.000 2.823 222 T HA 0.601 4.995 4.350 0.073 0.000 0.279 222 T C -1.358 173.140 174.700 -0.337 0.000 0.998 222 T CA 0.050 62.039 62.100 -0.186 0.000 0.994 222 T CB 1.012 69.816 68.868 -0.106 0.000 0.960 222 T HN 0.566 nan 8.240 nan 0.000 0.448 223 Y N 2.456 122.690 120.300 -0.110 0.000 2.331 223 Y HA 0.548 5.140 4.550 0.070 0.000 0.338 223 Y C 0.156 176.003 175.900 -0.090 0.000 0.992 223 Y CA -0.866 57.164 58.100 -0.116 0.000 1.121 223 Y CB 0.896 39.262 38.460 -0.156 0.000 1.184 223 Y HN 0.388 nan 8.280 nan 0.000 0.469 224 L N 5.959 127.199 121.223 0.028 0.000 2.352 224 L HA 0.530 4.914 4.340 0.073 0.000 0.269 224 L C -1.991 174.868 176.870 -0.018 0.000 1.034 224 L CA -1.969 52.875 54.840 0.007 0.000 0.806 224 L CB 1.988 44.039 42.059 -0.013 0.000 1.244 224 L HN 0.423 nan 8.230 nan 0.000 0.447 225 P HA 0.269 nan 4.420 nan 0.000 0.253 225 P C -0.407 176.850 177.300 -0.072 0.000 1.863 225 P CA -0.083 62.982 63.100 -0.058 0.000 1.145 225 P CB -0.002 31.698 31.700 0.001 0.000 1.666 226 I N 1.115 121.639 120.570 -0.077 0.000 2.363 226 I HA 0.036 4.250 4.170 0.073 0.000 0.292 226 I C 1.666 177.731 176.117 -0.087 0.000 1.075 226 I CA 0.089 61.355 61.300 -0.057 0.000 1.333 226 I CB 0.824 38.807 38.000 -0.029 0.000 1.415 226 I HN 0.022 nan 8.210 nan 0.000 0.502 227 S N 2.347 118.008 115.700 -0.064 0.000 2.501 227 S HA -0.029 4.484 4.470 0.073 0.000 0.220 227 S C 1.025 175.608 174.600 -0.028 0.000 0.997 227 S CA -0.283 57.878 58.200 -0.065 0.000 0.919 227 S CB 0.092 63.272 63.200 -0.033 0.000 0.778 227 S HN 0.604 nan 8.310 nan 0.000 0.523 228 S N 1.314 117.006 115.700 -0.013 0.000 2.448 228 S HA 0.245 4.759 4.470 0.073 0.000 0.279 228 S C 0.634 175.231 174.600 -0.005 0.000 1.195 228 S CA -0.536 57.662 58.200 -0.003 0.000 1.051 228 S CB 0.707 63.910 63.200 0.004 0.000 0.948 228 S HN 0.350 nan 8.310 nan 0.000 0.493 229 E N 3.568 123.762 120.200 -0.010 0.000 2.204 229 E HA -0.066 4.328 4.350 0.073 0.000 0.194 229 E C 1.865 178.463 176.600 -0.003 0.000 0.989 229 E CA 0.887 57.284 56.400 -0.005 0.000 0.824 229 E CB -0.137 29.549 29.700 -0.023 0.000 0.756 229 E HN 0.567 nan 8.360 nan 0.000 0.477 230 V N 0.642 120.555 119.914 -0.002 0.000 2.307 230 V HA -0.265 3.899 4.120 0.073 0.000 0.245 230 V C 2.092 178.192 176.094 0.011 0.000 1.045 230 V CA 2.205 64.508 62.300 0.004 0.000 1.024 230 V CB -0.696 31.129 31.823 0.003 0.000 0.651 230 V HN 0.346 nan 8.190 nan 0.000 0.449 231 T N -0.581 113.980 114.554 0.010 0.000 2.788 231 T HA -0.203 4.191 4.350 0.073 0.000 0.268 231 T C 1.770 176.485 174.700 0.023 0.000 1.044 231 T CA 1.637 63.746 62.100 0.015 0.000 1.139 231 T CB -0.372 68.502 68.868 0.011 0.000 0.867 231 T HN 0.525 nan 8.240 nan 0.000 0.454 232 D N 1.062 121.474 120.400 0.020 0.000 2.104 232 D HA -0.093 4.591 4.640 0.073 0.000 0.194 232 D C 2.150 178.480 176.300 0.049 0.000 0.994 232 D CA 0.833 54.851 54.000 0.030 0.000 0.830 232 D CB -0.462 40.351 40.800 0.023 0.000 0.959 232 D HN 0.186 nan 8.370 nan 0.000 0.452 233 V N 1.136 121.063 119.914 0.021 0.000 2.343 233 V HA -0.237 3.926 4.120 0.073 0.000 0.247 233 V C 2.252 178.398 176.094 0.087 0.000 1.051 233 V CA 1.763 64.077 62.300 0.023 0.000 1.036 233 V CB -0.646 31.168 31.823 -0.014 0.000 0.654 233 V HN 0.243 nan 8.190 nan 0.000 0.451 234 N N 0.428 119.163 118.700 0.057 0.000 2.104 234 N HA -0.158 4.626 4.740 0.073 0.000 0.190 234 N C 1.946 177.498 175.510 0.071 0.000 1.024 234 N CA 1.429 54.514 53.050 0.057 0.000 0.853 234 N CB -0.360 38.147 38.487 0.034 0.000 1.008 234 N HN 0.494 nan 8.380 nan 0.000 0.424 235 R N -0.695 119.848 120.500 0.071 0.000 2.193 235 R HA -0.050 4.333 4.340 0.073 0.000 0.213 235 R C 1.875 178.225 176.300 0.083 0.000 1.055 235 R CA 0.409 56.545 56.100 0.060 0.000 0.995 235 R CB -0.251 30.074 30.300 0.042 0.000 0.893 235 R HN 0.339 nan 8.270 nan 0.000 0.459 236 Y N 1.640 121.929 120.300 -0.019 0.000 2.133 236 Y HA -0.151 4.441 4.550 0.071 0.000 0.287 236 Y C 2.042 177.931 175.900 -0.019 0.000 1.134 236 Y CA 1.457 59.538 58.100 -0.032 0.000 1.133 236 Y CB 0.054 38.480 38.460 -0.057 0.000 0.987 236 Y HN -0.196 nan 8.280 nan 0.000 0.502 237 R N -0.062 120.551 120.500 0.188 0.000 2.189 237 R HA -0.095 4.289 4.340 0.073 0.000 0.223 237 R C 2.438 178.743 176.300 0.009 0.000 1.092 237 R CA 1.191 57.339 56.100 0.080 0.000 0.989 237 R CB -0.444 29.933 30.300 0.129 0.000 0.876 237 R HN 0.496 nan 8.270 nan 0.000 0.457 238 S N -0.864 114.845 115.700 0.015 0.000 2.489 238 S HA 0.037 4.551 4.470 0.073 0.000 0.228 238 S C 1.483 176.082 174.600 -0.002 0.000 0.995 238 S CA 0.819 59.024 58.200 0.009 0.000 0.934 238 S CB 0.468 63.677 63.200 0.015 0.000 0.771 238 S HN 0.492 nan 8.310 nan 0.000 0.522 239 G N 0.729 109.512 108.800 -0.028 0.000 2.184 239 G HA2 -0.244 3.760 3.960 0.073 0.000 0.206 239 G HA3 -0.244 3.760 3.960 0.073 0.000 0.206 239 G C 0.571 175.472 174.900 0.001 0.000 0.995 239 G CA 0.397 45.494 45.100 -0.005 0.000 0.651 239 G HN 0.513 nan 8.290 nan 0.000 0.511 240 E N -0.254 119.941 120.200 -0.008 0.000 2.072 240 E HA 0.138 4.532 4.350 0.073 0.000 0.190 240 E C 0.835 177.432 176.600 -0.003 0.000 0.982 240 E CA 0.432 56.832 56.400 -0.000 0.000 0.803 240 E CB 0.010 29.712 29.700 0.004 0.000 0.755 240 E HN 0.602 nan 8.360 nan 0.000 0.453 241 I N 1.554 122.116 120.570 -0.013 0.000 2.377 241 I HA 0.072 4.286 4.170 0.073 0.000 0.293 241 I C 0.301 176.389 176.117 -0.048 0.000 0.987 241 I CA -0.561 60.742 61.300 0.006 0.000 1.185 241 I CB 1.654 39.700 38.000 0.077 0.000 1.341 241 I HN -0.025 nan 8.210 nan 0.000 0.455 242 D N 5.459 125.844 120.400 -0.025 0.000 2.277 242 D HA 0.147 4.831 4.640 0.073 0.000 0.209 242 D C 0.248 176.545 176.300 -0.005 0.000 0.970 242 D CA 1.294 55.248 54.000 -0.075 0.000 0.874 242 D CB 0.566 41.361 40.800 -0.009 0.000 0.982 242 D HN 0.404 nan 8.370 nan 0.000 0.504 243 M N 0.919 120.526 119.600 0.012 0.000 2.213 243 M HA 0.163 4.687 4.480 0.073 0.000 0.286 243 M C -0.179 176.105 176.300 -0.028 0.000 1.008 243 M CA -0.464 54.808 55.300 -0.047 0.000 0.937 243 M CB 2.648 35.132 32.600 -0.194 0.000 1.600 243 M HN -0.207 nan 8.290 nan 0.000 0.450 244 T N -0.519 113.986 114.554 -0.083 0.000 2.726 244 T HA 0.278 4.672 4.350 0.073 0.000 0.294 244 T C -0.174 174.506 174.700 -0.034 0.000 1.013 244 T CA -0.294 61.768 62.100 -0.064 0.000 0.996 244 T CB 0.896 69.662 68.868 -0.170 0.000 1.016 244 T HN 0.479 nan 8.240 nan 0.000 0.529 245 Y N 1.742 121.976 120.300 -0.110 0.000 2.296 245 Y HA 0.259 4.854 4.550 0.075 0.000 0.343 245 Y C 1.001 176.839 175.900 -0.105 0.000 1.292 245 Y CA -0.981 57.056 58.100 -0.104 0.000 1.490 245 Y CB 0.480 38.885 38.460 -0.092 0.000 1.359 245 Y HN 0.808 nan 8.280 nan 0.000 0.599 246 N N 2.428 120.627 118.700 -0.835 0.000 3.170 246 N HA 0.153 4.937 4.740 0.073 0.000 0.305 246 N C -1.810 173.478 175.510 -0.371 0.000 1.499 246 N CA -0.295 52.450 53.050 -0.508 0.000 1.110 246 N CB -0.624 37.584 38.487 -0.464 0.000 1.390 246 N HN 0.374 nan 8.380 nan 0.000 0.508 247 N N 1.024 119.616 118.700 -0.180 0.000 2.461 247 N HA 0.322 5.106 4.740 0.073 0.000 0.284 247 N C -0.812 174.670 175.510 -0.048 0.000 1.049 247 N CA -0.278 52.765 53.050 -0.012 0.000 0.889 247 N CB 1.462 40.018 38.487 0.116 0.000 1.365 247 N HN 0.225 nan 8.380 nan 0.000 0.499 248 M N 2.518 122.055 119.600 -0.105 0.000 2.363 248 M HA 0.469 4.993 4.480 0.073 0.000 0.343 248 M C -2.273 173.967 176.300 -0.100 0.000 1.165 248 M CA -2.112 53.127 55.300 -0.102 0.000 1.046 248 M CB 1.539 34.029 32.600 -0.184 0.000 1.648 248 M HN 0.177 nan 8.290 nan 0.000 0.452 249 P HA 0.233 nan 4.420 nan 0.000 0.276 249 P C 0.610 177.903 177.300 -0.012 0.000 1.230 249 P CA -0.115 62.967 63.100 -0.030 0.000 0.776 249 P CB 1.022 32.720 31.700 -0.004 0.000 0.888 250 I N 1.801 122.344 120.570 -0.045 0.000 2.394 250 I HA -0.259 3.955 4.170 0.073 0.000 0.251 250 I C 2.022 178.143 176.117 0.006 0.000 1.136 250 I CA 1.538 62.819 61.300 -0.032 0.000 1.425 250 I CB -0.333 37.628 38.000 -0.064 0.000 1.079 250 I HN 0.354 nan 8.210 nan 0.000 0.425 251 E N 0.650 120.850 120.200 -0.000 0.000 2.085 251 E HA -0.183 4.210 4.350 0.073 0.000 0.194 251 E C 1.888 178.498 176.600 0.016 0.000 0.994 251 E CA 1.326 57.729 56.400 0.005 0.000 0.801 251 E CB -0.026 29.674 29.700 -0.001 0.000 0.743 251 E HN 0.473 nan 8.360 nan 0.000 0.453 252 L N -1.429 119.814 121.223 0.034 0.000 2.701 252 L HA 0.197 4.581 4.340 0.073 0.000 0.238 252 L C 1.534 178.427 176.870 0.038 0.000 1.106 252 L CA -0.313 54.541 54.840 0.024 0.000 0.898 252 L CB 0.054 42.121 42.059 0.014 0.000 1.188 252 L HN 0.063 nan 8.230 nan 0.000 0.508 253 F N 1.785 121.696 119.950 -0.066 0.000 2.095 253 F HA -0.253 4.316 4.527 0.070 0.000 0.298 253 F C 2.644 178.404 175.800 -0.066 0.000 1.104 253 F CA 1.740 59.696 58.000 -0.075 0.000 1.232 253 F CB 0.078 39.028 39.000 -0.084 0.000 0.987 253 F HN 0.063 nan 8.300 nan 0.000 0.475 254 Q N 0.750 120.542 119.800 -0.013 0.000 2.096 254 Q HA -0.220 4.164 4.340 0.073 0.000 0.204 254 Q C 2.143 178.037 176.000 -0.177 0.000 0.982 254 Q CA 1.937 57.675 55.803 -0.108 0.000 0.850 254 Q CB -0.655 28.073 28.738 -0.018 0.000 0.901 254 Q HN 0.457 nan 8.270 nan 0.000 0.422 255 K N 0.422 120.748 120.400 -0.123 0.000 2.057 255 K HA -0.067 4.297 4.320 0.073 0.000 0.207 255 K C 2.287 178.791 176.600 -0.159 0.000 1.049 255 K CA 0.885 57.105 56.287 -0.112 0.000 0.931 255 K CB -0.224 32.235 32.500 -0.068 0.000 0.714 255 K HN 0.103 nan 8.250 nan 0.000 0.440 256 L N 0.909 122.000 121.223 -0.220 0.000 2.083 256 L HA -0.186 4.197 4.340 0.073 0.000 0.209 256 L C 2.433 179.122 176.870 -0.303 0.000 1.083 256 L CA 0.985 55.678 54.840 -0.246 0.000 0.752 256 L CB -0.339 41.551 42.059 -0.281 0.000 0.899 256 L HN 0.074 nan 8.230 nan 0.000 0.433 257 K N 0.476 120.609 120.400 -0.446 0.000 2.147 257 K HA -0.134 4.230 4.320 0.073 0.000 0.205 257 K C 1.938 178.413 176.600 -0.208 0.000 1.049 257 K CA 1.373 57.438 56.287 -0.370 0.000 0.936 257 K CB 0.077 32.316 32.500 -0.435 0.000 0.722 257 K HN 0.081 nan 8.250 nan 0.000 0.446 258 K N 0.061 120.357 120.400 -0.173 0.000 2.314 258 K HA 0.043 4.407 4.320 0.073 0.000 0.198 258 K C 1.658 178.203 176.600 -0.091 0.000 1.045 258 K CA 0.699 56.919 56.287 -0.110 0.000 0.988 258 K CB 0.340 32.786 32.500 -0.090 0.000 0.783 258 K HN 0.318 nan 8.250 nan 0.000 0.484 259 E N 0.777 120.918 120.200 -0.100 0.000 2.102 259 E HA 0.042 4.436 4.350 0.073 0.000 0.190 259 E C 0.968 177.531 176.600 -0.062 0.000 0.971 259 E CA 0.673 57.031 56.400 -0.069 0.000 0.821 259 E CB 0.323 29.987 29.700 -0.061 0.000 0.777 259 E HN 0.275 nan 8.360 nan 0.000 0.460 260 I N -2.314 118.207 120.570 -0.082 0.000 2.948 260 I HA 0.267 4.481 4.170 0.073 0.000 0.308 260 I C -2.298 173.766 176.117 -0.088 0.000 1.478 260 I CA -1.687 59.574 61.300 -0.066 0.000 0.843 260 I CB 1.147 39.124 38.000 -0.039 0.000 2.100 260 I HN -0.220 nan 8.210 nan 0.000 0.625 261 P HA -0.203 nan 4.420 nan 0.000 0.216 261 P C 0.780 178.037 177.300 -0.073 0.000 1.154 261 P CA 1.672 64.716 63.100 -0.092 0.000 0.865 261 P CB 0.021 31.677 31.700 -0.074 0.000 0.789 262 N N -0.111 118.554 118.700 -0.058 0.000 2.520 262 N HA -0.093 4.690 4.740 0.073 0.000 0.185 262 N C 1.506 176.981 175.510 -0.059 0.000 1.068 262 N CA 0.839 53.860 53.050 -0.049 0.000 0.911 262 N CB -0.386 38.077 38.487 -0.040 0.000 0.961 262 N HN 0.457 nan 8.380 nan 0.000 0.446 263 E N -0.218 119.940 120.200 -0.070 0.000 2.452 263 E HA 0.111 4.504 4.350 0.073 0.000 0.197 263 E C -0.262 176.275 176.600 -0.105 0.000 1.022 263 E CA -0.011 56.342 56.400 -0.077 0.000 0.890 263 E CB 0.799 30.477 29.700 -0.036 0.000 0.918 263 E HN -0.026 nan 8.360 nan 0.000 0.496 264 V N 3.912 123.764 119.914 -0.104 0.000 2.356 264 V HA 0.123 4.287 4.120 0.073 0.000 0.258 264 V C 0.051 176.124 176.094 -0.036 0.000 1.065 264 V CA -0.272 61.972 62.300 -0.093 0.000 0.935 264 V CB 0.136 31.875 31.823 -0.139 0.000 1.061 264 V HN 0.112 nan 8.190 nan 0.000 0.484 265 R N 4.008 124.497 120.500 -0.018 0.000 2.254 265 R HA 0.590 4.974 4.340 0.073 0.000 0.318 265 R C -0.830 175.488 176.300 0.029 0.000 1.031 265 R CA -0.494 55.618 56.100 0.021 0.000 0.905 265 R CB 1.559 31.914 30.300 0.091 0.000 1.050 265 R HN 0.414 nan 8.270 nan 0.000 0.456 266 V N 4.131 124.058 119.914 0.023 0.000 2.447 266 V HA 0.346 4.510 4.120 0.073 0.000 0.292 266 V C -0.386 175.705 176.094 -0.005 0.000 1.021 266 V CA -0.679 61.635 62.300 0.023 0.000 0.850 266 V CB 1.949 33.808 31.823 0.061 0.000 1.005 266 V HN 0.682 nan 8.190 nan 0.000 0.426 267 D N 4.560 124.947 120.400 -0.022 0.000 2.552 267 D HA 0.473 5.157 4.640 0.073 0.000 0.239 267 D C -2.852 173.449 176.300 0.001 0.000 1.139 267 D CA -1.459 52.521 54.000 -0.034 0.000 0.914 267 D CB 2.971 43.727 40.800 -0.074 0.000 1.461 267 D HN 0.200 nan 8.370 nan 0.000 0.462 268 P HA 0.047 nan 4.420 nan 0.000 0.267 268 P C -0.995 176.439 177.300 0.224 0.000 1.200 268 P CA 0.274 63.406 63.100 0.054 0.000 0.772 268 P CB 0.262 31.953 31.700 -0.016 0.000 0.855 269 Y N 1.751 122.163 120.300 0.187 0.000 2.399 269 Y HA 0.311 4.907 4.550 0.075 0.000 0.327 269 Y C -0.929 175.129 175.900 0.264 0.000 1.111 269 Y CA -1.217 56.988 58.100 0.175 0.000 1.047 269 Y CB 1.244 39.787 38.460 0.138 0.000 1.259 269 Y HN 0.150 nan 8.280 nan 0.000 0.434 270 L N 6.084 127.405 121.223 0.164 0.000 2.480 270 L HA 0.321 4.705 4.340 0.073 0.000 0.243 270 L C -0.826 175.972 176.870 -0.120 0.000 1.315 270 L CA 0.196 55.004 54.840 -0.053 0.000 1.231 270 L CB -0.625 41.402 42.059 -0.054 0.000 1.444 270 L HN 0.534 nan 8.230 nan 0.000 0.409 271 c N -0.475 118.034 118.600 -0.153 0.000 2.797 271 c HA 0.667 5.281 4.570 0.073 0.000 0.306 271 c C 0.356 174.625 174.090 0.298 0.000 1.207 271 c CA -0.637 55.613 56.329 -0.131 0.000 1.507 271 c CB 2.225 44.175 42.510 -0.934 0.000 2.028 271 c HN 0.447 nan 8.230 nan 0.000 0.475 272 T N 1.409 116.239 114.554 0.460 0.000 2.824 272 T HA 0.415 4.809 4.350 0.073 0.000 0.282 272 T C -1.278 173.787 174.700 0.609 0.000 0.993 272 T CA -0.176 62.234 62.100 0.516 0.000 0.967 272 T CB 0.802 69.898 68.868 0.379 0.000 0.960 272 T HN 0.537 nan 8.240 nan 0.000 0.441 273 Y N 4.781 125.151 120.300 0.117 0.000 2.320 273 Y HA 0.556 5.149 4.550 0.072 0.000 0.334 273 Y C -0.771 175.047 175.900 -0.137 0.000 1.055 273 Y CA -0.828 57.135 58.100 -0.229 0.000 1.143 273 Y CB 0.416 38.111 38.460 -1.274 0.000 1.193 273 Y HN 0.698 nan 8.280 nan 0.000 0.477 274 Y N 2.310 122.514 120.300 -0.160 0.000 2.670 274 Y HA 0.581 5.175 4.550 0.072 0.000 0.334 274 Y C -2.342 173.346 175.900 -0.353 0.000 1.185 274 Y CA -2.397 55.626 58.100 -0.127 0.000 1.053 274 Y CB 0.595 39.058 38.460 0.006 0.000 1.298 274 Y HN 0.399 nan 8.280 nan 0.000 0.459 275 Y N 1.209 121.625 120.300 0.192 0.000 2.353 275 Y HA 0.309 4.904 4.550 0.074 0.000 0.340 275 Y C 0.282 176.283 175.900 0.168 0.000 0.972 275 Y CA -0.732 57.442 58.100 0.123 0.000 1.157 275 Y CB 1.347 39.962 38.460 0.257 0.000 1.157 275 Y HN 0.671 nan 8.280 nan 0.000 0.495 276 E N 4.650 124.932 120.200 0.138 0.000 2.217 276 E HA 0.272 4.666 4.350 0.073 0.000 0.279 276 E C -0.917 175.810 176.600 0.212 0.000 1.068 276 E CA -0.211 56.300 56.400 0.185 0.000 0.882 276 E CB 0.459 30.186 29.700 0.045 0.000 1.039 276 E HN 0.609 nan 8.360 nan 0.000 0.418 277 I N 4.217 124.848 120.570 0.101 0.000 2.385 277 I HA 0.074 4.288 4.170 0.073 0.000 0.294 277 I C 0.426 176.469 176.117 -0.123 0.000 0.988 277 I CA -0.736 60.514 61.300 -0.083 0.000 1.265 277 I CB 1.103 39.033 38.000 -0.116 0.000 1.388 277 I HN 0.488 nan 8.210 nan 0.000 0.480 278 N N 4.835 123.271 118.700 -0.439 0.000 2.421 278 N HA 0.043 4.826 4.740 0.073 0.000 0.260 278 N C 0.412 175.784 175.510 -0.229 0.000 1.173 278 N CA 0.239 52.956 53.050 -0.556 0.000 0.960 278 N CB 0.114 37.864 38.487 -1.227 0.000 1.273 278 N HN 0.437 nan 8.380 nan 0.000 0.497 279 N N 1.694 120.357 118.700 -0.063 0.000 2.453 279 N HA -0.159 4.624 4.740 0.073 0.000 0.183 279 N C 1.078 176.585 175.510 -0.004 0.000 1.041 279 N CA 0.818 53.876 53.050 0.013 0.000 0.900 279 N CB 0.101 38.642 38.487 0.090 0.000 0.961 279 N HN 0.747 nan 8.380 nan 0.000 0.443 280 Q N -0.610 119.157 119.800 -0.055 0.000 2.319 280 Q HA 0.127 4.511 4.340 0.073 0.000 0.202 280 Q C 0.004 175.954 176.000 -0.083 0.000 0.896 280 Q CA 0.182 55.945 55.803 -0.067 0.000 0.942 280 Q CB 0.391 29.079 28.738 -0.084 0.000 1.083 280 Q HN 0.007 nan 8.270 nan 0.000 0.510 281 K N 1.154 121.510 120.400 -0.073 0.000 2.323 281 K HA 0.570 4.934 4.320 0.073 0.000 0.259 281 K C -1.033 175.579 176.600 0.019 0.000 0.947 281 K CA -0.544 55.719 56.287 -0.039 0.000 0.819 281 K CB 1.633 34.093 32.500 -0.066 0.000 1.109 281 K HN 0.209 nan 8.250 nan 0.000 0.429 282 A N 4.680 127.475 122.820 -0.041 0.000 2.498 282 A HA 0.215 4.579 4.320 0.073 0.000 0.239 282 A C -1.704 175.763 177.584 -0.195 0.000 1.068 282 A CA -0.881 51.091 52.037 -0.108 0.000 0.766 282 A CB -0.035 18.915 19.000 -0.082 0.000 1.003 282 A HN 0.695 nan 8.150 nan 0.000 0.497 283 P HA 0.138 nan 4.420 nan 0.000 0.261 283 P C 0.084 177.062 177.300 -0.536 0.000 1.352 283 P CA 0.233 63.078 63.100 -0.425 0.000 0.891 283 P CB -0.006 31.490 31.700 -0.341 0.000 1.383 284 F N 1.738 121.603 119.950 -0.143 0.000 2.802 284 F HA 0.001 4.572 4.527 0.074 0.000 0.300 284 F C 1.861 177.589 175.800 -0.120 0.000 1.168 284 F CA 0.426 58.319 58.000 -0.178 0.000 1.433 284 F CB -0.960 37.892 39.000 -0.245 0.000 1.115 284 F HN 0.059 nan 8.300 nan 0.000 0.582 285 N N -0.784 117.915 118.700 -0.002 0.000 2.398 285 N HA -0.081 4.703 4.740 0.073 0.000 0.188 285 N C -0.225 175.274 175.510 -0.018 0.000 1.122 285 N CA 0.294 53.341 53.050 -0.006 0.000 0.866 285 N CB -0.353 38.120 38.487 -0.024 0.000 0.970 285 N HN 0.107 nan 8.380 nan 0.000 0.462 286 D N 0.686 121.064 120.400 -0.038 0.000 2.317 286 D HA 0.045 4.729 4.640 0.073 0.000 0.234 286 D C 0.922 177.213 176.300 -0.015 0.000 1.112 286 D CA -0.482 53.501 54.000 -0.029 0.000 0.840 286 D CB 2.136 42.912 40.800 -0.039 0.000 1.078 286 D HN -0.164 nan 8.370 nan 0.000 0.486 287 V N 5.799 125.713 119.914 0.000 0.000 2.469 287 V HA -0.234 3.930 4.120 0.073 0.000 0.251 287 V C 2.118 178.208 176.094 -0.006 0.000 1.064 287 V CA 1.808 64.112 62.300 0.007 0.000 1.066 287 V CB -0.200 31.637 31.823 0.022 0.000 0.667 287 V HN 0.530 nan 8.190 nan 0.000 0.461 288 R N -0.777 119.721 120.500 -0.004 0.000 2.096 288 R HA -0.101 4.283 4.340 0.073 0.000 0.235 288 R C 2.146 178.431 176.300 -0.025 0.000 1.127 288 R CA 1.576 57.674 56.100 -0.003 0.000 0.968 288 R CB -0.555 29.754 30.300 0.014 0.000 0.861 288 R HN 0.493 nan 8.270 nan 0.000 0.440 289 V N 1.162 121.052 119.914 -0.040 0.000 2.307 289 V HA -0.225 3.939 4.120 0.073 0.000 0.245 289 V C 2.305 178.334 176.094 -0.110 0.000 1.045 289 V CA 1.704 63.941 62.300 -0.105 0.000 1.024 289 V CB -0.483 31.238 31.823 -0.170 0.000 0.651 289 V HN 0.297 nan 8.190 nan 0.000 0.449 290 R N -0.092 120.374 120.500 -0.057 0.000 2.081 290 R HA -0.144 4.240 4.340 0.073 0.000 0.235 290 R C 2.382 178.638 176.300 -0.075 0.000 1.131 290 R CA 1.946 58.018 56.100 -0.047 0.000 0.960 290 R CB -0.911 29.381 30.300 -0.014 0.000 0.856 290 R HN 0.483 nan 8.270 nan 0.000 0.436 291 T N 1.118 115.628 114.554 -0.073 0.000 2.746 291 T HA -0.140 4.254 4.350 0.073 0.000 0.267 291 T C 1.989 176.619 174.700 -0.117 0.000 1.039 291 T CA 1.433 63.470 62.100 -0.105 0.000 1.142 291 T CB -0.237 68.589 68.868 -0.070 0.000 0.866 291 T HN 0.400 nan 8.240 nan 0.000 0.444 292 A N 1.300 124.064 122.820 -0.093 0.000 1.877 292 A HA 0.004 4.368 4.320 0.073 0.000 0.216 292 A C 2.310 179.826 177.584 -0.112 0.000 1.186 292 A CA 1.210 53.194 52.037 -0.089 0.000 0.620 292 A CB -0.848 18.091 19.000 -0.101 0.000 0.822 292 A HN 0.476 nan 8.150 nan 0.000 0.443 293 L N -0.681 120.428 121.223 -0.189 0.000 2.046 293 L HA -0.208 4.176 4.340 0.073 0.000 0.208 293 L C 2.647 179.611 176.870 0.156 0.000 1.077 293 L CA 1.942 56.639 54.840 -0.238 0.000 0.747 293 L CB -0.478 41.330 42.059 -0.419 0.000 0.896 293 L HN 0.482 nan 8.230 nan 0.000 0.432 294 K N 0.745 121.164 120.400 0.031 0.000 2.009 294 K HA -0.190 4.174 4.320 0.073 0.000 0.210 294 K C 2.139 178.669 176.600 -0.116 0.000 1.049 294 K CA 1.464 57.738 56.287 -0.021 0.000 0.929 294 K CB -0.089 32.288 32.500 -0.205 0.000 0.714 294 K HN 0.226 nan 8.250 nan 0.000 0.440 295 L N 0.152 121.256 121.223 -0.199 0.000 2.109 295 L HA -0.075 4.309 4.340 0.073 0.000 0.207 295 L C 2.537 179.450 176.870 0.070 0.000 1.086 295 L CA 1.006 55.748 54.840 -0.163 0.000 0.760 295 L CB -0.418 41.574 42.059 -0.112 0.000 0.910 295 L HN 0.277 nan 8.230 nan 0.000 0.437 296 A N -0.224 122.688 122.820 0.153 0.000 2.119 296 A HA -0.025 4.339 4.320 0.073 0.000 0.217 296 A C 1.231 179.000 177.584 0.309 0.000 1.153 296 A CA 0.186 52.367 52.037 0.240 0.000 0.692 296 A CB -0.379 18.768 19.000 0.246 0.000 0.799 296 A HN 0.303 nan 8.150 nan 0.000 0.458 297 L N 0.643 122.074 121.223 0.346 0.000 2.410 297 L HA 0.154 4.538 4.340 0.073 0.000 0.273 297 L C -0.592 176.344 176.870 0.110 0.000 1.152 297 L CA -0.388 54.525 54.840 0.121 0.000 0.855 297 L CB 0.584 42.705 42.059 0.104 0.000 1.129 297 L HN 0.107 nan 8.230 nan 0.000 0.463 298 D N 4.585 125.014 120.400 0.049 0.000 2.479 298 D HA 0.146 4.830 4.640 0.073 0.000 0.218 298 D C 1.071 177.406 176.300 0.058 0.000 1.131 298 D CA -0.183 53.856 54.000 0.066 0.000 0.916 298 D CB 0.801 41.624 40.800 0.039 0.000 1.022 298 D HN 0.543 nan 8.370 nan 0.000 0.515 299 R N 2.065 122.633 120.500 0.113 0.000 2.096 299 R HA -0.148 4.236 4.340 0.073 0.000 0.235 299 R C 1.461 177.802 176.300 0.069 0.000 1.127 299 R CA 1.430 57.603 56.100 0.120 0.000 0.968 299 R CB 0.009 30.442 30.300 0.222 0.000 0.861 299 R HN 0.385 nan 8.270 nan 0.000 0.440 300 D N 0.618 121.046 120.400 0.047 0.000 2.097 300 D HA -0.137 4.547 4.640 0.073 0.000 0.195 300 D C 1.699 177.998 176.300 -0.001 0.000 0.989 300 D CA 1.195 55.205 54.000 0.017 0.000 0.827 300 D CB 0.045 40.848 40.800 0.004 0.000 0.966 300 D HN 0.146 nan 8.370 nan 0.000 0.456 301 I N -0.012 120.557 120.570 -0.002 0.000 2.142 301 I HA -0.243 3.971 4.170 0.073 0.000 0.240 301 I C 2.346 178.441 176.117 -0.037 0.000 1.078 301 I CA 0.836 62.125 61.300 -0.019 0.000 1.343 301 I CB -0.274 37.714 38.000 -0.019 0.000 1.046 301 I HN 0.125 nan 8.210 nan 0.000 0.405 302 I N -0.106 120.443 120.570 -0.034 0.000 2.142 302 I HA -0.273 3.941 4.170 0.073 0.000 0.240 302 I C 2.490 178.553 176.117 -0.089 0.000 1.078 302 I CA 1.381 62.648 61.300 -0.056 0.000 1.343 302 I CB -0.345 37.638 38.000 -0.028 0.000 1.046 302 I HN -0.006 nan 8.210 nan 0.000 0.405 303 V N 0.871 120.741 119.914 -0.073 0.000 2.270 303 V HA -0.258 3.905 4.120 0.073 0.000 0.245 303 V C 1.729 177.743 176.094 -0.133 0.000 1.043 303 V CA 2.458 64.670 62.300 -0.146 0.000 1.014 303 V CB -0.799 30.980 31.823 -0.073 0.000 0.645 303 V HN 0.464 nan 8.190 nan 0.000 0.447 304 N N -1.100 117.557 118.700 -0.072 0.000 2.405 304 N HA 0.015 4.799 4.740 0.073 0.000 0.175 304 N C 1.666 177.145 175.510 -0.051 0.000 1.051 304 N CA 0.415 53.432 53.050 -0.057 0.000 0.899 304 N CB 0.201 38.671 38.487 -0.029 0.000 1.000 304 N HN 0.427 nan 8.380 nan 0.000 0.451 305 K N 0.035 120.404 120.400 -0.052 0.000 2.225 305 K HA 0.105 4.469 4.320 0.073 0.000 0.204 305 K C 1.996 178.563 176.600 -0.055 0.000 1.047 305 K CA 0.466 56.727 56.287 -0.044 0.000 0.970 305 K CB 0.004 32.485 32.500 -0.032 0.000 0.939 305 K HN -0.002 nan 8.250 nan 0.000 0.472 306 V N 0.590 120.463 119.914 -0.070 0.000 2.407 306 V HA -0.058 4.105 4.120 0.073 0.000 0.245 306 V C 1.957 177.991 176.094 -0.100 0.000 1.041 306 V CA 1.612 63.865 62.300 -0.077 0.000 1.040 306 V CB -0.014 31.762 31.823 -0.078 0.000 0.671 306 V HN 0.185 nan 8.190 nan 0.000 0.455 307 K N 0.329 120.642 120.400 -0.144 0.000 2.172 307 K HA 0.083 4.447 4.320 0.073 0.000 0.203 307 K C 1.018 177.508 176.600 -0.183 0.000 1.040 307 K CA 0.654 56.821 56.287 -0.200 0.000 0.974 307 K CB -0.103 32.205 32.500 -0.320 0.000 0.857 307 K HN 0.603 nan 8.250 nan 0.000 0.464 308 N N 1.379 119.973 118.700 -0.175 0.000 2.650 308 N HA -0.220 4.564 4.740 0.073 0.000 0.272 308 N C -0.494 174.953 175.510 -0.105 0.000 1.058 308 N CA 0.360 53.340 53.050 -0.116 0.000 0.765 308 N CB -0.339 38.120 38.487 -0.046 0.000 0.902 308 N HN 0.470 nan 8.380 nan 0.000 0.551 309 Q N -0.361 119.300 119.800 -0.232 0.000 2.164 309 Q HA 0.209 4.593 4.340 0.073 0.000 0.226 309 Q C 1.276 177.169 176.000 -0.180 0.000 0.813 309 Q CA 0.507 56.115 55.803 -0.325 0.000 0.978 309 Q CB 0.936 29.237 28.738 -0.729 0.000 1.149 309 Q HN 0.685 nan 8.270 nan 0.000 0.489 310 G N 0.967 109.685 108.800 -0.137 0.000 2.192 310 G HA2 -0.153 3.851 3.960 0.073 0.000 0.193 310 G HA3 -0.153 3.851 3.960 0.073 0.000 0.193 310 G C -0.305 174.541 174.900 -0.090 0.000 0.999 310 G CA -0.367 44.687 45.100 -0.076 0.000 0.659 310 G HN 0.248 nan 8.290 nan 0.000 0.503 311 D N 0.300 120.584 120.400 -0.194 0.000 2.362 311 D HA 0.443 5.127 4.640 0.073 0.000 0.242 311 D C 0.194 176.468 176.300 -0.043 0.000 1.132 311 D CA 0.229 54.127 54.000 -0.169 0.000 0.907 311 D CB 1.709 42.138 40.800 -0.618 0.000 1.195 311 D HN 0.110 nan 8.370 nan 0.000 0.429 312 L N 2.250 123.550 121.223 0.129 0.000 2.317 312 L HA 0.307 4.691 4.340 0.073 0.000 0.281 312 L C -2.307 174.683 176.870 0.200 0.000 1.024 312 L CA -1.710 53.253 54.840 0.205 0.000 0.810 312 L CB 1.595 43.849 42.059 0.326 0.000 1.240 312 L HN 0.072 nan 8.230 nan 0.000 0.427 313 P HA 0.135 nan 4.420 nan 0.000 0.265 313 P C -1.171 176.198 177.300 0.116 0.000 1.193 313 P CA -0.027 63.213 63.100 0.234 0.000 0.765 313 P CB 0.680 32.594 31.700 0.355 0.000 0.823 314 A N 3.270 126.000 122.820 -0.150 0.000 2.325 314 A HA 0.571 4.935 4.320 0.073 0.000 0.333 314 A C -0.491 176.955 177.584 -0.231 0.000 1.155 314 A CA -0.378 51.265 52.037 -0.658 0.000 0.814 314 A CB 0.409 18.776 19.000 -1.055 0.000 1.206 314 A HN 0.707 nan 8.150 nan 0.000 0.482 315 Y N 0.061 120.182 120.300 -0.298 0.000 2.672 315 Y HA 0.481 5.075 4.550 0.073 0.000 0.252 315 Y C 0.267 176.124 175.900 -0.071 0.000 1.132 315 Y CA -0.149 57.757 58.100 -0.322 0.000 1.228 315 Y CB -0.417 37.367 38.460 -1.125 0.000 1.310 315 Y HN 0.671 nan 8.280 nan 0.000 0.549 316 S N -1.808 113.729 115.700 -0.270 0.000 2.720 316 S HA 0.353 4.866 4.470 0.073 0.000 0.287 316 S C -0.352 174.237 174.600 -0.018 0.000 1.168 316 S CA -0.524 57.618 58.200 -0.097 0.000 0.832 316 S CB 1.409 64.489 63.200 -0.201 0.000 1.166 316 S HN 0.111 nan 8.310 nan 0.000 0.493 317 Y N 1.905 122.094 120.300 -0.185 0.000 2.190 317 Y HA 0.296 4.892 4.550 0.076 0.000 0.290 317 Y C 1.150 176.843 175.900 -0.345 0.000 1.115 317 Y CA 1.172 59.135 58.100 -0.229 0.000 1.107 317 Y CB -0.875 37.440 38.460 -0.242 0.000 1.033 317 Y HN 0.721 nan 8.280 nan 0.000 0.502 318 T N 5.235 119.477 114.554 -0.521 0.000 2.867 318 T HA 0.120 4.514 4.350 0.073 0.000 0.297 318 T C -2.561 171.591 174.700 -0.913 0.000 0.989 318 T CA -0.784 60.692 62.100 -1.039 0.000 1.159 318 T CB 0.670 69.173 68.868 -0.608 0.000 0.928 318 T HN 0.092 nan 8.240 nan 0.000 0.538 319 P HA 0.122 nan 4.420 nan 0.000 0.268 319 P C -1.681 174.980 177.300 -1.066 0.000 1.204 319 P CA -1.457 60.912 63.100 -1.218 0.000 0.768 319 P CB 0.274 31.161 31.700 -1.356 0.000 0.842 320 P HA -0.125 nan 4.420 nan 0.000 0.226 320 P C 0.426 177.566 177.300 -0.267 0.000 1.153 320 P CA 1.413 64.237 63.100 -0.461 0.000 0.777 320 P CB -0.313 31.222 31.700 -0.276 0.000 0.794 321 Y N -2.043 118.068 120.300 -0.316 0.000 2.493 321 Y HA 0.379 4.972 4.550 0.071 0.000 0.275 321 Y C 0.549 176.348 175.900 -0.168 0.000 1.183 321 Y CA -1.084 56.902 58.100 -0.190 0.000 1.258 321 Y CB -1.761 36.611 38.460 -0.147 0.000 1.108 321 Y HN -0.322 nan 8.280 nan 0.000 0.521 322 T N 2.170 116.475 114.554 -0.415 0.000 2.940 322 T HA -0.089 4.305 4.350 0.073 0.000 0.309 322 T C -0.129 174.479 174.700 -0.153 0.000 1.056 322 T CA -0.141 61.773 62.100 -0.309 0.000 1.137 322 T CB 0.353 68.969 68.868 -0.420 0.000 0.976 322 T HN 0.277 nan 8.240 nan 0.000 0.547 323 D N 1.109 121.455 120.400 -0.089 0.000 2.389 323 D HA 0.230 4.914 4.640 0.073 0.000 0.263 323 D C 1.262 177.532 176.300 -0.049 0.000 1.255 323 D CA 1.303 55.284 54.000 -0.032 0.000 0.914 323 D CB -0.223 40.581 40.800 0.006 0.000 1.116 323 D HN 0.849 nan 8.370 nan 0.000 0.502 324 G N 2.518 111.309 108.800 -0.015 0.000 2.201 324 G HA2 -0.106 3.898 3.960 0.073 0.000 0.212 324 G HA3 -0.106 3.898 3.960 0.073 0.000 0.212 324 G C 0.326 175.247 174.900 0.036 0.000 0.994 324 G CA 0.131 45.248 45.100 0.029 0.000 0.644 324 G HN 0.897 nan 8.290 nan 0.000 0.508 325 A N 0.269 123.058 122.820 -0.050 0.000 2.320 325 A HA 0.751 5.115 4.320 0.073 0.000 0.287 325 A C 0.330 177.900 177.584 -0.024 0.000 1.181 325 A CA 0.606 52.603 52.037 -0.066 0.000 0.831 325 A CB 0.695 19.579 19.000 -0.193 0.000 1.102 325 A HN 0.599 nan 8.150 nan 0.000 0.513 326 K N 3.977 124.382 120.400 0.008 0.000 2.920 326 K HA 0.432 4.796 4.320 0.073 0.000 0.175 326 K C -1.283 175.326 176.600 0.015 0.000 1.099 326 K CA -0.176 56.117 56.287 0.011 0.000 0.939 326 K CB 0.135 32.646 32.500 0.018 0.000 1.148 326 K HN 0.749 nan 8.250 nan 0.000 0.613 327 L N 2.024 123.255 121.223 0.013 0.000 2.399 327 L HA 0.427 4.811 4.340 0.073 0.000 0.266 327 L C 0.043 176.930 176.870 0.029 0.000 1.114 327 L CA -1.257 53.606 54.840 0.040 0.000 0.804 327 L CB 1.518 43.618 42.059 0.068 0.000 1.146 327 L HN 0.043 nan 8.230 nan 0.000 0.451 328 V N 1.493 121.415 119.914 0.012 0.000 2.383 328 V HA 0.112 4.276 4.120 0.073 0.000 0.275 328 V C 0.315 176.314 176.094 -0.158 0.000 1.036 328 V CA -0.544 61.722 62.300 -0.057 0.000 0.889 328 V CB 1.206 33.007 31.823 -0.037 0.000 0.985 328 V HN 0.741 nan 8.190 nan 0.000 0.459 329 E N 8.162 128.153 120.200 -0.348 0.000 2.217 329 E HA 0.199 4.593 4.350 0.073 0.000 0.279 329 E C -2.122 174.169 176.600 -0.514 0.000 1.068 329 E CA -1.544 54.391 56.400 -0.776 0.000 0.882 329 E CB 0.924 30.128 29.700 -0.826 0.000 1.039 329 E HN 0.478 nan 8.360 nan 0.000 0.418 330 P HA -0.040 nan 4.420 nan 0.000 0.269 330 P C 0.217 177.213 177.300 -0.506 0.000 1.215 330 P CA -0.036 62.786 63.100 -0.463 0.000 0.780 330 P CB 0.846 32.211 31.700 -0.557 0.000 0.898 331 E N 1.500 121.508 120.200 -0.320 0.000 2.110 331 E HA -0.141 4.252 4.350 0.073 0.000 0.193 331 E C 1.927 178.103 176.600 -0.706 0.000 0.988 331 E CA 1.314 57.546 56.400 -0.279 0.000 0.804 331 E CB -0.498 29.202 29.700 0.001 0.000 0.745 331 E HN 0.719 nan 8.360 nan 0.000 0.458 332 W N -0.065 120.678 121.300 -0.929 0.000 2.364 332 W HA -0.170 4.534 4.660 0.073 0.000 0.281 332 W C 1.666 177.809 176.519 -0.627 0.000 1.219 332 W CA 0.274 56.755 57.345 -1.441 0.000 1.220 332 W CB -1.148 27.762 29.460 -0.917 0.000 1.127 332 W HN -0.055 nan 8.180 nan 0.000 0.556 333 F N 2.981 122.385 119.950 -0.910 0.000 2.365 333 F HA -0.037 4.534 4.527 0.073 0.000 0.300 333 F C 2.025 177.670 175.800 -0.258 0.000 1.090 333 F CA 1.629 59.246 58.000 -0.637 0.000 1.408 333 F CB -0.155 38.265 39.000 -0.968 0.000 1.060 333 F HN -0.211 nan 8.300 nan 0.000 0.534 334 K N -1.104 119.154 120.400 -0.236 0.000 2.393 334 K HA -0.017 4.347 4.320 0.073 0.000 0.193 334 K C 0.074 176.740 176.600 0.110 0.000 1.026 334 K CA -0.158 56.071 56.287 -0.096 0.000 1.064 334 K CB -0.072 32.421 32.500 -0.013 0.000 0.833 334 K HN 0.042 nan 8.250 nan 0.000 0.521 335 W N 2.519 123.830 121.300 0.018 0.000 2.049 335 W HA 0.115 4.820 4.660 0.074 0.000 0.356 335 W C 1.070 177.602 176.519 0.021 0.000 1.323 335 W CA -1.529 55.844 57.345 0.046 0.000 1.336 335 W CB -0.272 29.253 29.460 0.109 0.000 1.176 335 W HN -0.082 nan 8.180 nan 0.000 0.623 336 S N 0.130 116.003 115.700 0.287 0.000 2.614 336 S HA 0.036 4.549 4.470 0.073 0.000 0.265 336 S C 0.793 175.507 174.600 0.190 0.000 1.303 336 S CA -0.396 57.899 58.200 0.158 0.000 1.000 336 S CB 1.234 64.489 63.200 0.091 0.000 0.935 336 S HN 0.409 nan 8.310 nan 0.000 0.551 337 Q N 0.509 120.386 119.800 0.129 0.000 2.167 337 Q HA -0.151 4.233 4.340 0.073 0.000 0.202 337 Q C 2.240 178.320 176.000 0.133 0.000 0.970 337 Q CA 1.954 57.840 55.803 0.139 0.000 0.855 337 Q CB -0.530 28.265 28.738 0.096 0.000 0.911 337 Q HN 0.901 nan 8.270 nan 0.000 0.438 338 Q N -0.027 119.832 119.800 0.097 0.000 2.061 338 Q HA -0.249 4.135 4.340 0.073 0.000 0.204 338 Q C 1.962 178.008 176.000 0.077 0.000 0.984 338 Q CA 1.931 57.777 55.803 0.072 0.000 0.846 338 Q CB -0.166 28.598 28.738 0.043 0.000 0.902 338 Q HN 0.349 nan 8.270 nan 0.000 0.421 339 K N -0.049 120.401 120.400 0.083 0.000 2.097 339 K HA -0.154 4.210 4.320 0.073 0.000 0.205 339 K C 2.150 178.861 176.600 0.185 0.000 1.050 339 K CA 1.079 57.390 56.287 0.040 0.000 0.938 339 K CB 0.022 32.469 32.500 -0.089 0.000 0.718 339 K HN 0.156 nan 8.250 nan 0.000 0.442 340 R N 0.383 121.088 120.500 0.342 0.000 2.073 340 R HA -0.090 4.294 4.340 0.073 0.000 0.234 340 R C 2.075 178.499 176.300 0.208 0.000 1.134 340 R CA 1.627 57.951 56.100 0.372 0.000 0.952 340 R CB -0.368 30.125 30.300 0.322 0.000 0.850 340 R HN 0.286 nan 8.270 nan 0.000 0.433 341 N N 0.639 119.431 118.700 0.153 0.000 2.104 341 N HA -0.158 4.626 4.740 0.073 0.000 0.190 341 N C 1.618 177.179 175.510 0.084 0.000 1.024 341 N CA 1.124 54.240 53.050 0.110 0.000 0.853 341 N CB -0.224 38.319 38.487 0.093 0.000 1.008 341 N HN 0.186 nan 8.380 nan 0.000 0.424 342 E N 0.894 121.137 120.200 0.071 0.000 2.051 342 E HA -0.180 4.214 4.350 0.073 0.000 0.192 342 E C 1.870 178.502 176.600 0.052 0.000 0.991 342 E CA 0.791 57.217 56.400 0.044 0.000 0.799 342 E CB -0.268 29.439 29.700 0.012 0.000 0.748 342 E HN 0.404 nan 8.360 nan 0.000 0.449 343 E N 0.983 121.233 120.200 0.084 0.000 2.085 343 E HA -0.136 4.258 4.350 0.073 0.000 0.194 343 E C 1.875 178.525 176.600 0.083 0.000 0.994 343 E CA 1.541 58.005 56.400 0.107 0.000 0.801 343 E CB -0.317 29.521 29.700 0.231 0.000 0.743 343 E HN 0.180 nan 8.360 nan 0.000 0.453 344 A N 0.794 123.661 122.820 0.078 0.000 1.877 344 A HA -0.229 4.135 4.320 0.073 0.000 0.216 344 A C 2.121 179.720 177.584 0.026 0.000 1.186 344 A CA 2.001 54.061 52.037 0.039 0.000 0.620 344 A CB -0.512 18.515 19.000 0.044 0.000 0.822 344 A HN 0.238 nan 8.150 nan 0.000 0.443 345 K N -0.389 120.033 120.400 0.037 0.000 2.057 345 K HA -0.169 4.195 4.320 0.073 0.000 0.207 345 K C 2.248 178.869 176.600 0.035 0.000 1.049 345 K CA 1.603 57.909 56.287 0.032 0.000 0.931 345 K CB -0.172 32.348 32.500 0.035 0.000 0.714 345 K HN 0.537 nan 8.250 nan 0.000 0.440 346 K N 1.471 121.892 120.400 0.035 0.000 2.032 346 K HA -0.157 4.207 4.320 0.073 0.000 0.209 346 K C 2.069 178.691 176.600 0.037 0.000 1.048 346 K CA 1.246 57.552 56.287 0.033 0.000 0.927 346 K CB -0.116 32.402 32.500 0.031 0.000 0.712 346 K HN 0.047 nan 8.250 nan 0.000 0.441 347 L N 0.985 122.230 121.223 0.037 0.000 2.083 347 L HA -0.194 4.190 4.340 0.073 0.000 0.209 347 L C 2.461 179.362 176.870 0.051 0.000 1.083 347 L CA 0.999 55.860 54.840 0.036 0.000 0.752 347 L CB -0.350 41.724 42.059 0.024 0.000 0.899 347 L HN 0.254 nan 8.230 nan 0.000 0.433 348 L N -0.656 120.600 121.223 0.055 0.000 2.141 348 L HA -0.151 4.233 4.340 0.073 0.000 0.209 348 L C 2.852 179.827 176.870 0.175 0.000 1.094 348 L CA 0.934 55.850 54.840 0.128 0.000 0.763 348 L CB -0.652 41.440 42.059 0.054 0.000 0.908 348 L HN 0.253 nan 8.230 nan 0.000 0.437 349 A N 0.099 122.976 122.820 0.095 0.000 1.902 349 A HA -0.216 4.147 4.320 0.073 0.000 0.217 349 A C 2.113 179.718 177.584 0.034 0.000 1.181 349 A CA 1.538 53.614 52.037 0.065 0.000 0.623 349 A CB -0.376 18.649 19.000 0.041 0.000 0.818 349 A HN 0.427 nan 8.150 nan 0.000 0.443 350 E N -0.282 119.937 120.200 0.032 0.000 2.110 350 E HA -0.082 4.312 4.350 0.073 0.000 0.193 350 E C 1.960 178.557 176.600 -0.005 0.000 0.988 350 E CA 0.880 57.286 56.400 0.010 0.000 0.804 350 E CB -0.243 29.466 29.700 0.015 0.000 0.745 350 E HN 0.606 nan 8.360 nan 0.000 0.458 351 A N 0.026 122.862 122.820 0.027 0.000 2.235 351 A HA 0.205 4.569 4.320 0.073 0.000 0.208 351 A C 1.681 179.153 177.584 -0.188 0.000 1.172 351 A CA 0.932 52.966 52.037 -0.005 0.000 0.786 351 A CB -0.294 18.788 19.000 0.137 0.000 0.804 351 A HN 0.363 nan 8.150 nan 0.000 0.479 352 G N -2.318 106.368 108.800 -0.191 0.000 2.179 352 G HA2 -0.208 3.796 3.960 0.073 0.000 0.220 352 G HA3 -0.208 3.796 3.960 0.073 0.000 0.220 352 G C -0.036 174.615 174.900 -0.416 0.000 0.990 352 G CA -0.078 44.828 45.100 -0.324 0.000 0.646 352 G HN 0.309 nan 8.290 nan 0.000 0.517 353 F N 2.202 122.126 119.950 -0.043 0.000 2.399 353 F HA 0.616 5.187 4.527 0.074 0.000 0.342 353 F C 1.192 176.977 175.800 -0.025 0.000 1.106 353 F CA 0.659 58.637 58.000 -0.037 0.000 1.196 353 F CB 1.560 40.535 39.000 -0.042 0.000 1.163 353 F HN 0.243 nan 8.300 nan 0.000 0.547 354 T N -1.316 113.331 114.554 0.155 0.000 2.838 354 T HA 0.657 5.051 4.350 0.073 0.000 0.292 354 T C 0.711 175.460 174.700 0.081 0.000 1.113 354 T CA -0.380 61.770 62.100 0.083 0.000 1.008 354 T CB 1.390 70.277 68.868 0.033 0.000 1.259 354 T HN 0.550 nan 8.240 nan 0.000 0.520 355 A N 0.418 123.268 122.820 0.051 0.000 1.908 355 A HA -0.082 4.282 4.320 0.073 0.000 0.218 355 A C 1.906 179.513 177.584 0.039 0.000 1.181 355 A CA 2.465 54.526 52.037 0.040 0.000 0.627 355 A CB -1.422 17.594 19.000 0.027 0.000 0.818 355 A HN 1.008 nan 8.150 nan 0.000 0.445 356 D N -0.766 119.653 120.400 0.033 0.000 2.178 356 D HA -0.072 4.612 4.640 0.073 0.000 0.202 356 D C 0.585 176.907 176.300 0.036 0.000 0.974 356 D CA 1.010 55.026 54.000 0.027 0.000 0.841 356 D CB 0.010 40.819 40.800 0.015 0.000 0.953 356 D HN 0.364 nan 8.370 nan 0.000 0.478 357 K N 1.121 121.554 120.400 0.055 0.000 2.762 357 K HA 0.271 4.635 4.320 0.073 0.000 0.180 357 K C -2.563 174.144 176.600 0.179 0.000 1.067 357 K CA -1.524 54.811 56.287 0.079 0.000 0.973 357 K CB 2.013 34.533 32.500 0.034 0.000 1.290 357 K HN 0.215 nan 8.250 nan 0.000 0.604 358 P HA 0.085 nan 4.420 nan 0.000 0.277 358 P C -0.450 176.940 177.300 0.149 0.000 1.276 358 P CA -0.798 62.390 63.100 0.147 0.000 0.788 358 P CB 0.758 32.487 31.700 0.049 0.000 1.114 359 L N 0.507 121.655 121.223 -0.126 0.000 2.260 359 L HA 0.424 4.807 4.340 0.073 0.000 0.289 359 L C -0.639 176.181 176.870 -0.082 0.000 1.057 359 L CA 0.631 55.255 54.840 -0.360 0.000 0.811 359 L CB -0.029 41.521 42.059 -0.848 0.000 1.184 359 L HN 0.261 nan 8.230 nan 0.000 0.429 360 T N 6.738 121.312 114.554 0.033 0.000 2.879 360 T HA 0.731 5.125 4.350 0.073 0.000 0.290 360 T C -0.876 173.924 174.700 0.167 0.000 0.993 360 T CA -0.143 61.961 62.100 0.007 0.000 0.975 360 T CB 0.851 69.724 68.868 0.010 0.000 0.981 360 T HN 0.492 nan 8.240 nan 0.000 0.439 361 F N -0.430 119.558 119.950 0.063 0.000 2.745 361 F HA 0.718 5.289 4.527 0.073 0.000 0.316 361 F C -1.379 174.493 175.800 0.119 0.000 1.155 361 F CA -1.371 56.711 58.000 0.137 0.000 0.937 361 F CB 0.822 40.008 39.000 0.311 0.000 1.361 361 F HN 0.223 nan 8.300 nan 0.000 0.472 362 D N 1.558 122.192 120.400 0.390 0.000 2.225 362 D HA 0.445 5.129 4.640 0.073 0.000 0.249 362 D C -1.237 175.273 176.300 0.351 0.000 1.052 362 D CA -0.105 54.047 54.000 0.253 0.000 0.909 362 D CB 2.493 43.428 40.800 0.225 0.000 1.186 362 D HN 0.516 nan 8.370 nan 0.000 0.431 363 L N 2.776 124.153 121.223 0.256 0.000 2.353 363 L HA 0.311 4.695 4.340 0.073 0.000 0.270 363 L C -1.396 175.670 176.870 0.326 0.000 1.003 363 L CA -0.806 54.224 54.840 0.317 0.000 0.862 363 L CB 1.097 43.305 42.059 0.249 0.000 1.221 363 L HN 0.221 nan 8.230 nan 0.000 0.430 364 L N 6.523 127.940 121.223 0.324 0.000 2.292 364 L HA 0.645 5.029 4.340 0.073 0.000 0.284 364 L C -1.063 176.026 176.870 0.364 0.000 1.065 364 L CA 0.008 55.014 54.840 0.276 0.000 0.806 364 L CB 0.901 43.096 42.059 0.227 0.000 1.175 364 L HN 0.615 nan 8.230 nan 0.000 0.431 365 Y N 2.518 122.851 120.300 0.054 0.000 2.588 365 Y HA 0.585 5.178 4.550 0.073 0.000 0.343 365 Y C -0.898 174.634 175.900 -0.613 0.000 1.065 365 Y CA -1.567 56.386 58.100 -0.246 0.000 1.038 365 Y CB 0.748 39.172 38.460 -0.060 0.000 1.297 365 Y HN 0.712 nan 8.280 nan 0.000 0.467 366 N N 0.542 118.636 118.700 -1.010 0.000 2.514 366 N HA 0.112 4.896 4.740 0.073 0.000 0.277 366 N C -0.615 174.848 175.510 -0.078 0.000 1.126 366 N CA -0.309 52.338 53.050 -0.671 0.000 0.978 366 N CB 1.193 39.360 38.487 -0.533 0.000 1.106 366 N HN 0.794 nan 8.380 nan 0.000 0.461 367 T N 1.234 115.728 114.554 -0.099 0.000 2.718 367 T HA 0.075 4.468 4.350 0.073 0.000 0.265 367 T C 0.308 175.101 174.700 0.155 0.000 1.014 367 T CA 0.620 62.745 62.100 0.042 0.000 1.172 367 T CB -0.438 68.430 68.868 0.001 0.000 1.007 367 T HN 0.731 nan 8.240 nan 0.000 0.500 368 S N 1.942 117.786 115.700 0.240 0.000 2.606 368 S HA 0.171 4.685 4.470 0.073 0.000 0.290 368 S C 0.223 174.862 174.600 0.066 0.000 1.103 368 S CA -0.857 57.413 58.200 0.117 0.000 0.870 368 S CB 1.237 64.499 63.200 0.104 0.000 1.077 368 S HN 0.578 nan 8.310 nan 0.000 0.448 369 D N 1.775 122.169 120.400 -0.009 0.000 2.103 369 D HA -0.069 4.615 4.640 0.073 0.000 0.199 369 D C 1.918 178.169 176.300 -0.082 0.000 0.978 369 D CA 1.317 55.301 54.000 -0.026 0.000 0.829 369 D CB -0.021 40.763 40.800 -0.027 0.000 0.981 369 D HN 0.426 nan 8.370 nan 0.000 0.464 370 L N 1.436 122.569 121.223 -0.150 0.000 2.017 370 L HA -0.180 4.204 4.340 0.073 0.000 0.208 370 L C 2.187 178.955 176.870 -0.170 0.000 1.073 370 L CA 1.884 56.607 54.840 -0.195 0.000 0.745 370 L CB -0.791 41.100 42.059 -0.280 0.000 0.894 370 L HN 0.068 nan 8.230 nan 0.000 0.432 371 H N -0.171 118.901 119.070 0.004 0.000 2.389 371 H HA -0.124 4.475 4.556 0.073 0.000 0.299 371 H C 2.172 177.262 175.328 -0.397 0.000 1.081 371 H CA 1.530 57.545 56.048 -0.055 0.000 1.345 371 H CB -0.198 29.591 29.762 0.045 0.000 1.393 371 H HN 0.461 nan 8.280 nan 0.000 0.520 372 K N 1.629 121.801 120.400 -0.380 0.000 2.025 372 K HA -0.128 4.236 4.320 0.073 0.000 0.207 372 K C 1.959 178.401 176.600 -0.264 0.000 1.049 372 K CA 1.179 57.137 56.287 -0.550 0.000 0.933 372 K CB 0.141 32.551 32.500 -0.149 0.000 0.714 372 K HN 0.139 nan 8.250 nan 0.000 0.438 373 K N 0.659 120.970 120.400 -0.147 0.000 2.063 373 K HA -0.125 4.239 4.320 0.073 0.000 0.208 373 K C 2.228 178.766 176.600 -0.103 0.000 1.048 373 K CA 1.489 57.714 56.287 -0.104 0.000 0.928 373 K CB -0.176 32.275 32.500 -0.082 0.000 0.713 373 K HN 0.167 nan 8.250 nan 0.000 0.442 374 L N 0.485 121.656 121.223 -0.087 0.000 2.046 374 L HA -0.201 4.183 4.340 0.073 0.000 0.208 374 L C 2.610 179.452 176.870 -0.047 0.000 1.077 374 L CA 1.217 56.028 54.840 -0.048 0.000 0.747 374 L CB -0.583 41.484 42.059 0.014 0.000 0.896 374 L HN 0.226 nan 8.230 nan 0.000 0.432 375 A N 0.104 122.873 122.820 -0.085 0.000 1.933 375 A HA -0.162 4.202 4.320 0.073 0.000 0.218 375 A C 2.201 179.702 177.584 -0.137 0.000 1.175 375 A CA 1.379 53.348 52.037 -0.114 0.000 0.628 375 A CB -0.615 18.259 19.000 -0.210 0.000 0.814 375 A HN 0.360 nan 8.150 nan 0.000 0.444 376 I N -0.294 120.199 120.570 -0.128 0.000 2.179 376 I HA -0.285 3.929 4.170 0.073 0.000 0.242 376 I C 2.985 179.043 176.117 -0.098 0.000 1.088 376 I CA 1.102 62.348 61.300 -0.090 0.000 1.357 376 I CB -0.358 37.600 38.000 -0.070 0.000 1.051 376 I HN 0.359 nan 8.210 nan 0.000 0.409 377 A N 0.368 123.123 122.820 -0.108 0.000 1.902 377 A HA -0.146 4.217 4.320 0.073 0.000 0.217 377 A C 2.437 179.917 177.584 -0.173 0.000 1.181 377 A CA 1.684 53.653 52.037 -0.113 0.000 0.623 377 A CB -0.967 17.972 19.000 -0.102 0.000 0.818 377 A HN 0.235 nan 8.150 nan 0.000 0.443 378 V N -0.114 119.646 119.914 -0.257 0.000 2.343 378 V HA -0.261 3.902 4.120 0.073 0.000 0.247 378 V C 3.063 178.886 176.094 -0.453 0.000 1.051 378 V CA 1.964 63.959 62.300 -0.508 0.000 1.036 378 V CB -1.213 30.164 31.823 -0.743 0.000 0.654 378 V HN 0.625 nan 8.190 nan 0.000 0.451 379 A N -0.743 121.936 122.820 -0.234 0.000 1.902 379 A HA -0.250 4.113 4.320 0.073 0.000 0.217 379 A C 2.568 180.142 177.584 -0.016 0.000 1.181 379 A CA 2.320 54.321 52.037 -0.059 0.000 0.623 379 A CB -0.810 18.162 19.000 -0.047 0.000 0.818 379 A HN 0.495 nan 8.150 nan 0.000 0.443 380 S N -0.568 115.100 115.700 -0.053 0.000 2.368 380 S HA -0.103 4.411 4.470 0.073 0.000 0.224 380 S C 1.903 176.497 174.600 -0.009 0.000 1.029 380 S CA 1.384 59.569 58.200 -0.025 0.000 0.988 380 S CB -0.508 62.670 63.200 -0.038 0.000 0.838 380 S HN 0.478 nan 8.310 nan 0.000 0.462 381 I N -0.064 120.472 120.570 -0.057 0.000 2.202 381 I HA -0.141 4.073 4.170 0.073 0.000 0.242 381 I C 2.165 178.338 176.117 0.094 0.000 1.091 381 I CA 0.990 62.271 61.300 -0.031 0.000 1.368 381 I CB -0.359 37.567 38.000 -0.124 0.000 1.058 381 I HN 0.407 nan 8.210 nan 0.000 0.410 382 W N 1.527 122.810 121.300 -0.027 0.000 2.363 382 W HA -0.182 4.522 4.660 0.074 0.000 0.296 382 W C 2.657 179.158 176.519 -0.030 0.000 1.212 382 W CA 1.070 58.401 57.345 -0.023 0.000 1.260 382 W CB -0.781 28.660 29.460 -0.032 0.000 1.131 382 W HN 0.097 nan 8.180 nan 0.000 0.530 383 K N 1.158 121.666 120.400 0.179 0.000 2.002 383 K HA -0.188 4.176 4.320 0.073 0.000 0.209 383 K C 2.035 178.677 176.600 0.070 0.000 1.048 383 K CA 2.009 58.347 56.287 0.085 0.000 0.930 383 K CB -0.697 31.828 32.500 0.043 0.000 0.714 383 K HN -0.057 nan 8.250 nan 0.000 0.438 384 K N -0.270 120.169 120.400 0.065 0.000 2.025 384 K HA -0.111 4.253 4.320 0.073 0.000 0.207 384 K C 1.502 178.140 176.600 0.063 0.000 1.049 384 K CA 1.738 58.056 56.287 0.051 0.000 0.933 384 K CB -0.121 32.402 32.500 0.038 0.000 0.714 384 K HN 0.138 nan 8.250 nan 0.000 0.438 385 N N 0.240 118.995 118.700 0.092 0.000 2.333 385 N HA -0.076 4.708 4.740 0.073 0.000 0.178 385 N C 1.195 176.762 175.510 0.095 0.000 1.018 385 N CA 0.720 53.830 53.050 0.100 0.000 0.882 385 N CB 0.203 38.771 38.487 0.135 0.000 0.984 385 N HN 0.167 nan 8.380 nan 0.000 0.434 386 L N -1.629 119.654 121.223 0.099 0.000 3.039 386 L HA 0.430 4.814 4.340 0.073 0.000 0.269 386 L C 0.725 177.607 176.870 0.020 0.000 1.169 386 L CA 0.507 55.378 54.840 0.052 0.000 0.986 386 L CB 0.167 42.247 42.059 0.035 0.000 1.377 386 L HN 0.188 nan 8.230 nan 0.000 0.575 387 G N 0.654 109.473 108.800 0.031 0.000 2.147 387 G HA2 -0.207 3.797 3.960 0.073 0.000 0.244 387 G HA3 -0.207 3.797 3.960 0.073 0.000 0.244 387 G C 0.153 175.043 174.900 -0.016 0.000 1.005 387 G CA 0.417 45.524 45.100 0.013 0.000 0.713 387 G HN 0.823 nan 8.290 nan 0.000 0.515 388 V N -2.540 117.358 119.914 -0.027 0.000 2.612 388 V HA 0.804 4.968 4.120 0.073 0.000 0.301 388 V C -0.035 176.007 176.094 -0.087 0.000 1.046 388 V CA -1.743 60.506 62.300 -0.084 0.000 0.946 388 V CB 1.873 33.618 31.823 -0.130 0.000 1.003 388 V HN 0.187 nan 8.190 nan 0.000 0.459 389 N N 2.252 120.866 118.700 -0.144 0.000 2.400 389 N HA 0.682 5.466 4.740 0.073 0.000 0.288 389 N C -0.983 174.342 175.510 -0.308 0.000 1.024 389 N CA -0.291 52.671 53.050 -0.147 0.000 0.894 389 N CB 2.130 40.564 38.487 -0.089 0.000 1.173 389 N HN 0.635 nan 8.380 nan 0.000 0.487 390 V N 2.044 121.807 119.914 -0.252 0.000 2.735 390 V HA 0.363 4.527 4.120 0.073 0.000 0.310 390 V C -0.328 175.688 176.094 -0.130 0.000 1.061 390 V CA -0.926 61.171 62.300 -0.339 0.000 0.913 390 V CB 2.046 33.688 31.823 -0.302 0.000 1.005 390 V HN 0.596 nan 8.190 nan 0.000 0.428 391 N N 3.390 122.041 118.700 -0.082 0.000 2.501 391 N HA 0.504 5.288 4.740 0.073 0.000 0.245 391 N C -0.986 174.562 175.510 0.064 0.000 0.974 391 N CA -0.606 52.448 53.050 0.006 0.000 0.941 391 N CB 1.205 39.707 38.487 0.024 0.000 1.122 391 N HN 0.403 nan 8.380 nan 0.000 0.507 392 L N 2.239 123.516 121.223 0.090 0.000 2.426 392 L HA 0.196 4.580 4.340 0.073 0.000 0.271 392 L C 0.173 177.143 176.870 0.166 0.000 1.169 392 L CA 0.587 55.537 54.840 0.184 0.000 0.836 392 L CB 0.389 42.586 42.059 0.229 0.000 1.112 392 L HN 0.520 nan 8.230 nan 0.000 0.465 393 E N 2.794 123.085 120.200 0.152 0.000 2.263 393 E HA 0.320 4.713 4.350 0.073 0.000 0.268 393 E C -1.189 175.229 176.600 -0.303 0.000 0.884 393 E CA -0.830 55.567 56.400 -0.005 0.000 0.766 393 E CB 1.594 31.311 29.700 0.029 0.000 1.196 393 E HN 0.564 nan 8.360 nan 0.000 0.416 394 N N 2.686 121.115 118.700 -0.452 0.000 2.456 394 N HA 0.277 5.061 4.740 0.073 0.000 0.296 394 N C -0.700 174.615 175.510 -0.325 0.000 1.102 394 N CA -0.582 52.009 53.050 -0.764 0.000 0.924 394 N CB 2.016 40.084 38.487 -0.698 0.000 1.186 394 N HN 0.446 nan 8.380 nan 0.000 0.492 395 Q N 0.156 119.791 119.800 -0.274 0.000 2.389 395 Q HA 0.255 4.639 4.340 0.073 0.000 0.277 395 Q C -0.950 175.023 176.000 -0.045 0.000 1.082 395 Q CA -0.865 54.887 55.803 -0.084 0.000 0.810 395 Q CB 2.295 31.055 28.738 0.036 0.000 1.374 395 Q HN 0.538 nan 8.270 nan 0.000 0.422 396 E N 1.060 121.275 120.200 0.024 0.000 2.418 396 E HA -0.116 4.278 4.350 0.073 0.000 0.261 396 E C 0.463 177.177 176.600 0.190 0.000 1.070 396 E CA 0.109 56.561 56.400 0.087 0.000 0.931 396 E CB 0.485 30.235 29.700 0.083 0.000 0.954 396 E HN 0.730 nan 8.360 nan 0.000 0.439 397 W N 3.400 124.715 121.300 0.026 0.000 2.301 397 W HA -0.348 4.356 4.660 0.074 0.000 0.325 397 W C 1.809 178.416 176.519 0.148 0.000 1.250 397 W CA 2.107 59.511 57.345 0.100 0.000 1.261 397 W CB -0.070 29.418 29.460 0.047 0.000 1.157 397 W HN 0.577 nan 8.180 nan 0.000 0.473 398 K N -0.466 119.997 120.400 0.105 0.000 2.063 398 K HA -0.195 4.169 4.320 0.073 0.000 0.208 398 K C 1.988 178.549 176.600 -0.065 0.000 1.048 398 K CA 2.404 58.659 56.287 -0.054 0.000 0.928 398 K CB -0.407 32.131 32.500 0.063 0.000 0.713 398 K HN 0.047 nan 8.250 nan 0.000 0.442 399 T N 0.692 115.255 114.554 0.015 0.000 2.777 399 T HA -0.128 4.266 4.350 0.073 0.000 0.266 399 T C 1.347 176.046 174.700 -0.002 0.000 1.040 399 T CA 1.213 63.319 62.100 0.010 0.000 1.141 399 T CB -0.371 68.518 68.868 0.036 0.000 0.868 399 T HN 0.301 nan 8.240 nan 0.000 0.444 400 F N 2.248 122.106 119.950 -0.153 0.000 2.091 400 F HA -0.099 4.472 4.527 0.072 0.000 0.299 400 F C 1.864 177.483 175.800 -0.302 0.000 1.103 400 F CA 1.225 59.100 58.000 -0.208 0.000 1.228 400 F CB -0.631 38.270 39.000 -0.166 0.000 0.984 400 F HN 0.054 nan 8.300 nan 0.000 0.477 401 L N -0.070 120.840 121.223 -0.522 0.000 2.046 401 L HA -0.208 4.176 4.340 0.073 0.000 0.208 401 L C 2.240 178.917 176.870 -0.322 0.000 1.077 401 L CA 1.875 56.350 54.840 -0.608 0.000 0.747 401 L CB -1.040 40.675 42.059 -0.574 0.000 0.896 401 L HN 0.185 nan 8.230 nan 0.000 0.432 402 D N -0.225 120.070 120.400 -0.175 0.000 2.117 402 D HA -0.176 4.508 4.640 0.073 0.000 0.197 402 D C 2.007 178.271 176.300 -0.061 0.000 0.987 402 D CA 1.671 55.640 54.000 -0.053 0.000 0.829 402 D CB 0.159 40.937 40.800 -0.037 0.000 0.961 402 D HN 0.105 nan 8.370 nan 0.000 0.460 403 T N -0.276 114.200 114.554 -0.130 0.000 2.720 403 T HA -0.146 4.248 4.350 0.073 0.000 0.268 403 T C 2.006 176.619 174.700 -0.145 0.000 1.037 403 T CA 1.267 63.305 62.100 -0.104 0.000 1.144 403 T CB -0.199 68.601 68.868 -0.113 0.000 0.864 403 T HN 0.190 nan 8.240 nan 0.000 0.444 404 R N -0.025 120.207 120.500 -0.445 0.000 2.096 404 R HA -0.055 4.328 4.340 0.073 0.000 0.235 404 R C 2.486 178.733 176.300 -0.088 0.000 1.127 404 R CA 1.134 56.894 56.100 -0.567 0.000 0.968 404 R CB -0.317 29.423 30.300 -0.934 0.000 0.861 404 R HN 0.497 nan 8.270 nan 0.000 0.440 405 H N 0.787 119.815 119.070 -0.070 0.000 2.389 405 H HA -0.072 4.528 4.556 0.073 0.000 0.299 405 H C 1.944 177.361 175.328 0.147 0.000 1.081 405 H CA 1.317 57.384 56.048 0.032 0.000 1.345 405 H CB 0.161 29.895 29.762 -0.048 0.000 1.393 405 H HN 0.364 nan 8.280 nan 0.000 0.520 406 Q N -0.413 119.509 119.800 0.202 0.000 2.224 406 Q HA -0.011 4.373 4.340 0.073 0.000 0.203 406 Q C 1.235 177.292 176.000 0.095 0.000 0.970 406 Q CA 0.731 56.615 55.803 0.134 0.000 0.865 406 Q CB 0.335 29.121 28.738 0.079 0.000 0.922 406 Q HN 0.611 nan 8.270 nan 0.000 0.445 407 G N 1.483 110.389 108.800 0.178 0.000 2.160 407 G HA2 -0.260 3.744 3.960 0.073 0.000 0.244 407 G HA3 -0.260 3.744 3.960 0.073 0.000 0.244 407 G C 0.293 175.209 174.900 0.027 0.000 1.022 407 G CA 0.482 45.546 45.100 -0.059 0.000 0.741 407 G HN 0.396 nan 8.290 nan 0.000 0.508 408 T N -1.122 113.553 114.554 0.202 0.000 3.389 408 T HA 0.619 5.013 4.350 0.073 0.000 0.238 408 T C -0.007 174.841 174.700 0.246 0.000 1.178 408 T CA 0.074 62.252 62.100 0.130 0.000 1.117 408 T CB -0.622 68.294 68.868 0.081 0.000 1.177 408 T HN 1.627 nan 8.240 nan 0.000 0.653 409 F N -1.720 118.202 119.950 -0.047 0.000 2.779 409 F HA 0.710 5.281 4.527 0.074 0.000 0.316 409 F C -0.958 174.801 175.800 -0.069 0.000 1.164 409 F CA -1.332 56.647 58.000 -0.036 0.000 0.924 409 F CB 0.606 39.578 39.000 -0.047 0.000 1.348 409 F HN -0.120 nan 8.300 nan 0.000 0.467 410 D N 0.472 120.851 120.400 -0.034 0.000 2.999 410 D HA 0.329 5.013 4.640 0.073 0.000 0.273 410 D C -0.428 175.556 176.300 -0.527 0.000 1.485 410 D CA 1.048 54.823 54.000 -0.375 0.000 1.101 410 D CB 0.588 41.374 40.800 -0.023 0.000 1.109 410 D HN 0.254 nan 8.370 nan 0.000 0.368 411 V N 0.365 120.261 119.914 -0.030 0.000 2.789 411 V HA 0.769 4.933 4.120 0.073 0.000 0.311 411 V C -0.798 175.522 176.094 0.376 0.000 1.073 411 V CA -0.902 61.473 62.300 0.125 0.000 0.921 411 V CB 1.899 33.770 31.823 0.080 0.000 1.009 411 V HN 0.357 nan 8.190 nan 0.000 0.426 412 A N 3.626 126.643 122.820 0.329 0.000 2.414 412 A HA 0.795 5.159 4.320 0.073 0.000 0.306 412 A C -0.371 177.346 177.584 0.221 0.000 1.054 412 A CA -0.771 51.390 52.037 0.207 0.000 0.724 412 A CB 1.706 20.560 19.000 -0.243 0.000 1.267 412 A HN 0.750 nan 8.150 nan 0.000 0.418 413 R N 1.114 121.773 120.500 0.265 0.000 2.679 413 R HA 0.505 4.889 4.340 0.073 0.000 0.268 413 R C -0.390 175.706 176.300 -0.340 0.000 1.044 413 R CA 1.039 57.060 56.100 -0.132 0.000 1.105 413 R CB 0.520 30.803 30.300 -0.028 0.000 0.989 413 R HN 1.307 nan 8.270 nan 0.000 0.447 414 A N 1.604 123.936 122.820 -0.814 0.000 2.606 414 A HA 0.668 5.032 4.320 0.073 0.000 0.293 414 A C -1.074 175.974 177.584 -0.893 0.000 1.082 414 A CA -0.157 51.383 52.037 -0.828 0.000 0.685 414 A CB 2.016 20.285 19.000 -1.217 0.000 1.284 414 A HN 0.789 nan 8.150 nan 0.000 0.408 415 G N 0.125 108.713 108.800 -0.353 0.000 2.711 415 G HA2 0.516 4.520 3.960 0.073 0.000 0.288 415 G HA3 0.516 4.520 3.960 0.073 0.000 0.288 415 G C -1.259 173.779 174.900 0.231 0.000 1.451 415 G CA -0.188 44.927 45.100 0.025 0.000 1.186 415 G HN 0.881 nan 8.290 nan 0.000 0.560 416 W N 3.181 124.607 121.300 0.210 0.000 2.529 416 W HA 0.575 5.280 4.660 0.076 0.000 0.321 416 W C -1.171 175.188 176.519 -0.266 0.000 1.047 416 W CA -0.799 56.510 57.345 -0.060 0.000 1.216 416 W CB 1.949 31.314 29.460 -0.158 0.000 1.357 416 W HN 0.476 nan 8.180 nan 0.000 0.489 417 c N 4.499 122.554 118.600 -0.910 0.000 2.417 417 c HA 0.637 5.251 4.570 0.073 0.000 0.324 417 c C 0.861 174.399 174.090 -0.921 0.000 1.240 417 c CA -0.553 55.332 56.329 -0.741 0.000 1.632 417 c CB 0.542 42.674 42.510 -0.631 0.000 2.241 417 c HN 0.718 nan 8.230 nan 0.000 0.499 418 A N 2.354 124.902 122.820 -0.454 0.000 2.555 418 A HA 0.144 4.508 4.320 0.073 0.000 0.233 418 A C 0.859 178.269 177.584 -0.289 0.000 1.060 418 A CA 0.495 52.333 52.037 -0.331 0.000 0.759 418 A CB 0.206 19.168 19.000 -0.062 0.000 0.995 418 A HN 0.928 nan 8.150 nan 0.000 0.506 419 D N -1.036 119.242 120.400 -0.204 0.000 2.380 419 D HA 0.171 4.855 4.640 0.073 0.000 0.212 419 D C -0.356 176.064 176.300 0.199 0.000 1.021 419 D CA 1.426 55.443 54.000 0.028 0.000 0.884 419 D CB 0.210 41.059 40.800 0.081 0.000 1.001 419 D HN 0.666 nan 8.370 nan 0.000 0.506 420 Y N -1.521 118.805 120.300 0.042 0.000 2.544 420 Y HA 0.463 5.055 4.550 0.070 0.000 0.342 420 Y C -0.640 175.247 175.900 -0.022 0.000 1.062 420 Y CA -1.516 56.592 58.100 0.013 0.000 1.023 420 Y CB 0.411 38.871 38.460 -0.001 0.000 1.308 420 Y HN -0.403 nan 8.280 nan 0.000 0.457 421 N N 3.139 121.881 118.700 0.071 0.000 2.895 421 N HA 0.160 4.943 4.740 0.073 0.000 0.277 421 N C -1.075 174.399 175.510 -0.060 0.000 1.185 421 N CA 0.475 53.512 53.050 -0.022 0.000 1.106 421 N CB -0.264 38.238 38.487 0.026 0.000 1.422 421 N HN 0.771 nan 8.380 nan 0.000 0.521 422 E N 1.913 121.998 120.200 -0.191 0.000 2.378 422 E HA 0.220 4.614 4.350 0.073 0.000 0.283 422 E C -2.381 173.966 176.600 -0.422 0.000 0.979 422 E CA -1.489 54.746 56.400 -0.275 0.000 0.795 422 E CB 1.792 31.316 29.700 -0.292 0.000 1.221 422 E HN 0.048 nan 8.360 nan 0.000 0.428 423 P HA -0.147 nan 4.420 nan 0.000 0.217 423 P C 1.172 178.123 177.300 -0.581 0.000 1.148 423 P CA 2.093 64.808 63.100 -0.642 0.000 0.828 423 P CB 0.086 31.171 31.700 -1.025 0.000 0.783 424 T N -4.680 109.523 114.554 -0.585 0.000 3.007 424 T HA -0.080 4.314 4.350 0.073 0.000 0.270 424 T C 1.965 176.471 174.700 -0.323 0.000 1.107 424 T CA 1.197 63.111 62.100 -0.311 0.000 1.118 424 T CB -1.110 67.736 68.868 -0.036 0.000 0.889 424 T HN -0.010 nan 8.240 nan 0.000 0.506 425 S N -0.147 115.201 115.700 -0.586 0.000 2.399 425 S HA 0.005 4.519 4.470 0.073 0.000 0.231 425 S C 1.293 175.740 174.600 -0.256 0.000 1.022 425 S CA 0.718 58.488 58.200 -0.717 0.000 0.983 425 S CB -0.544 61.988 63.200 -1.113 0.000 0.803 425 S HN 0.563 nan 8.310 nan 0.000 0.480 426 F N 0.960 120.694 119.950 -0.362 0.000 2.188 426 F HA 0.320 4.889 4.527 0.070 0.000 0.289 426 F C 1.962 177.580 175.800 -0.304 0.000 1.082 426 F CA 0.530 58.266 58.000 -0.440 0.000 1.282 426 F CB -0.576 38.029 39.000 -0.659 0.000 1.060 426 F HN 0.095 nan 8.300 nan 0.000 0.493 427 L N 0.083 121.305 121.223 -0.002 0.000 2.127 427 L HA -0.250 4.134 4.340 0.073 0.000 0.211 427 L C 1.930 178.880 176.870 0.133 0.000 1.089 427 L CA 0.979 55.919 54.840 0.166 0.000 0.757 427 L CB -0.716 41.400 42.059 0.094 0.000 0.899 427 L HN 0.152 nan 8.230 nan 0.000 0.434 428 N N -0.421 118.190 118.700 -0.148 0.000 2.364 428 N HA -0.145 4.639 4.740 0.073 0.000 0.183 428 N C 1.901 177.278 175.510 -0.221 0.000 1.022 428 N CA 1.762 54.639 53.050 -0.288 0.000 0.883 428 N CB -0.407 37.494 38.487 -0.977 0.000 0.965 428 N HN 0.462 nan 8.380 nan 0.000 0.438 429 T N -2.410 111.974 114.554 -0.284 0.000 3.072 429 T HA 0.053 4.446 4.350 0.073 0.000 0.266 429 T C 1.378 175.954 174.700 -0.207 0.000 1.127 429 T CA 0.542 62.467 62.100 -0.292 0.000 1.107 429 T CB -0.008 68.427 68.868 -0.721 0.000 0.910 429 T HN -0.019 nan 8.240 nan 0.000 0.513 430 M N 0.752 120.285 119.600 -0.111 0.000 2.383 430 M HA 0.415 4.939 4.480 0.073 0.000 0.247 430 M C 0.257 176.578 176.300 0.034 0.000 1.117 430 M CA -0.145 55.036 55.300 -0.199 0.000 0.995 430 M CB -0.534 31.676 32.600 -0.650 0.000 1.480 430 M HN 0.292 nan 8.290 nan 0.000 0.485 431 L N 0.184 121.531 121.223 0.208 0.000 2.456 431 L HA 0.038 4.422 4.340 0.073 0.000 0.272 431 L C 1.782 178.722 176.870 0.117 0.000 1.189 431 L CA -0.289 54.706 54.840 0.257 0.000 0.846 431 L CB 0.431 42.628 42.059 0.229 0.000 1.111 431 L HN 0.184 nan 8.230 nan 0.000 0.475 432 S N 1.126 116.879 115.700 0.087 0.000 2.372 432 S HA -0.206 4.308 4.470 0.073 0.000 0.227 432 S C 1.149 175.760 174.600 0.018 0.000 1.044 432 S CA 1.975 60.182 58.200 0.012 0.000 1.050 432 S CB -0.263 62.938 63.200 0.001 0.000 0.901 432 S HN 0.921 nan 8.310 nan 0.000 0.447 433 D N 0.447 120.873 120.400 0.044 0.000 2.342 433 D HA 0.154 4.838 4.640 0.073 0.000 0.221 433 D C 0.306 176.629 176.300 0.038 0.000 1.101 433 D CA -0.047 53.973 54.000 0.034 0.000 0.837 433 D CB -0.335 40.487 40.800 0.038 0.000 0.938 433 D HN 0.157 nan 8.370 nan 0.000 0.508 434 S N 0.315 116.048 115.700 0.056 0.000 2.549 434 S HA 0.121 4.635 4.470 0.073 0.000 0.283 434 S C 1.559 176.162 174.600 0.005 0.000 1.320 434 S CA 0.069 58.314 58.200 0.075 0.000 1.058 434 S CB 0.825 64.093 63.200 0.113 0.000 0.882 434 S HN 0.292 nan 8.310 nan 0.000 0.498 435 S N 3.878 119.569 115.700 -0.015 0.000 2.474 435 S HA -0.091 4.423 4.470 0.073 0.000 0.235 435 S C 0.946 175.533 174.600 -0.023 0.000 0.997 435 S CA 1.170 59.348 58.200 -0.037 0.000 0.949 435 S CB -0.640 62.516 63.200 -0.073 0.000 0.766 435 S HN 0.859 nan 8.310 nan 0.000 0.517 436 N N 1.674 120.334 118.700 -0.066 0.000 2.336 436 N HA 0.135 4.919 4.740 0.073 0.000 0.189 436 N C 0.024 175.393 175.510 -0.235 0.000 1.113 436 N CA -0.044 52.917 53.050 -0.149 0.000 0.858 436 N CB -0.050 38.286 38.487 -0.251 0.000 0.970 436 N HN 0.256 nan 8.380 nan 0.000 0.471 437 N N 1.222 119.806 118.700 -0.195 0.000 2.605 437 N HA 0.012 4.795 4.740 0.073 0.000 0.258 437 N C 0.376 175.635 175.510 -0.417 0.000 1.156 437 N CA 0.183 53.072 53.050 -0.267 0.000 1.008 437 N CB 0.335 38.715 38.487 -0.178 0.000 1.354 437 N HN 0.196 nan 8.380 nan 0.000 0.509 438 T N -1.086 113.219 114.554 -0.415 0.000 3.107 438 T HA 0.174 4.568 4.350 0.073 0.000 0.249 438 T C 1.537 176.142 174.700 -0.160 0.000 1.096 438 T CA 0.240 62.070 62.100 -0.451 0.000 1.012 438 T CB 0.230 68.824 68.868 -0.458 0.000 0.977 438 T HN 0.271 nan 8.240 nan 0.000 0.527 439 A N 1.345 124.077 122.820 -0.147 0.000 2.119 439 A HA 0.028 4.392 4.320 0.073 0.000 0.217 439 A C 0.974 178.610 177.584 0.086 0.000 1.153 439 A CA 0.450 52.490 52.037 0.004 0.000 0.692 439 A CB -0.881 18.045 19.000 -0.124 0.000 0.799 439 A HN 0.754 nan 8.150 nan 0.000 0.458 440 H N -3.195 115.868 119.070 -0.012 0.000 2.791 440 H HA -0.234 4.366 4.556 0.074 0.000 0.302 440 H C -0.434 174.896 175.328 0.004 0.000 1.198 440 H CA 1.088 57.127 56.048 -0.016 0.000 1.145 440 H CB -2.070 27.666 29.762 -0.043 0.000 1.385 440 H HN 0.728 nan 8.280 nan 0.000 0.409 441 Y N 1.542 121.785 120.300 -0.093 0.000 2.313 441 Y HA 0.401 4.995 4.550 0.074 0.000 0.332 441 Y C -0.147 175.686 175.900 -0.111 0.000 1.071 441 Y CA -0.394 57.631 58.100 -0.125 0.000 1.169 441 Y CB 0.895 39.219 38.460 -0.228 0.000 1.192 441 Y HN 0.043 nan 8.280 nan 0.000 0.487 442 K N 5.087 125.154 120.400 -0.555 0.000 2.656 442 K HA 0.302 4.665 4.320 0.073 0.000 0.241 442 K C -1.363 174.900 176.600 -0.562 0.000 0.967 442 K CA -0.562 55.469 56.287 -0.426 0.000 0.946 442 K CB 1.577 33.967 32.500 -0.184 0.000 1.164 442 K HN 0.542 nan 8.250 nan 0.000 0.459 443 S N 3.296 118.644 115.700 -0.586 0.000 2.707 443 S HA 0.370 4.884 4.470 0.073 0.000 0.312 443 S C -2.152 172.420 174.600 -0.046 0.000 1.116 443 S CA -1.803 56.200 58.200 -0.329 0.000 1.078 443 S CB 1.087 64.076 63.200 -0.352 0.000 0.997 443 S HN 0.216 nan 8.310 nan 0.000 0.477 444 P HA -0.027 nan 4.420 nan 0.000 0.218 444 P C 1.329 178.662 177.300 0.056 0.000 1.148 444 P CA 1.258 64.370 63.100 0.020 0.000 0.822 444 P CB 0.140 31.842 31.700 0.003 0.000 0.784 445 A N -1.249 121.614 122.820 0.070 0.000 1.898 445 A HA -0.170 4.194 4.320 0.073 0.000 0.216 445 A C 2.099 179.761 177.584 0.130 0.000 1.181 445 A CA 1.172 53.261 52.037 0.088 0.000 0.620 445 A CB -1.767 17.287 19.000 0.091 0.000 0.819 445 A HN 0.154 nan 8.150 nan 0.000 0.442 446 F N 1.355 121.341 119.950 0.060 0.000 2.102 446 F HA -0.192 4.379 4.527 0.072 0.000 0.298 446 F C 1.781 177.632 175.800 0.084 0.000 1.105 446 F CA 2.131 60.195 58.000 0.108 0.000 1.239 446 F CB -0.173 38.956 39.000 0.215 0.000 0.991 446 F HN 0.231 nan 8.300 nan 0.000 0.474 447 D N 0.439 120.960 120.400 0.202 0.000 2.123 447 D HA -0.214 4.470 4.640 0.073 0.000 0.196 447 D C 2.111 178.412 176.300 0.001 0.000 0.992 447 D CA 1.496 55.561 54.000 0.108 0.000 0.833 447 D CB -0.433 40.441 40.800 0.124 0.000 0.954 447 D HN 0.169 nan 8.370 nan 0.000 0.455 448 K N 0.833 121.236 120.400 0.006 0.000 2.097 448 K HA -0.025 4.339 4.320 0.073 0.000 0.205 448 K C 2.124 178.696 176.600 -0.048 0.000 1.050 448 K CA 0.705 56.986 56.287 -0.009 0.000 0.938 448 K CB -0.549 31.954 32.500 0.005 0.000 0.718 448 K HN 0.139 nan 8.250 nan 0.000 0.442 449 L N 0.260 121.427 121.223 -0.093 0.000 2.042 449 L HA -0.181 4.203 4.340 0.073 0.000 0.210 449 L C 2.128 178.914 176.870 -0.140 0.000 1.076 449 L CA 0.795 55.560 54.840 -0.125 0.000 0.749 449 L CB -0.467 41.497 42.059 -0.159 0.000 0.893 449 L HN 0.169 nan 8.230 nan 0.000 0.432 450 I N 0.065 120.513 120.570 -0.203 0.000 2.286 450 I HA -0.190 4.024 4.170 0.073 0.000 0.245 450 I C 2.857 178.979 176.117 0.007 0.000 1.104 450 I CA 1.457 62.700 61.300 -0.095 0.000 1.397 450 I CB -1.600 36.320 38.000 -0.133 0.000 1.072 450 I HN 0.155 nan 8.210 nan 0.000 0.417 451 A N 0.803 123.629 122.820 0.009 0.000 1.908 451 A HA -0.229 4.135 4.320 0.073 0.000 0.218 451 A C 1.916 179.502 177.584 0.002 0.000 1.181 451 A CA 2.003 54.061 52.037 0.035 0.000 0.627 451 A CB -0.677 18.343 19.000 0.033 0.000 0.818 451 A HN 0.356 nan 8.150 nan 0.000 0.445 452 D N -0.412 119.976 120.400 -0.020 0.000 2.263 452 D HA -0.112 4.571 4.640 0.073 0.000 0.208 452 D C 2.223 178.495 176.300 -0.047 0.000 0.971 452 D CA 1.744 55.723 54.000 -0.035 0.000 0.867 452 D CB -0.551 40.222 40.800 -0.045 0.000 0.929 452 D HN 0.678 nan 8.370 nan 0.000 0.492 453 T N -1.459 113.068 114.554 -0.045 0.000 2.833 453 T HA -0.093 4.301 4.350 0.073 0.000 0.269 453 T C 1.811 176.507 174.700 -0.007 0.000 1.054 453 T CA 0.638 62.697 62.100 -0.069 0.000 1.135 453 T CB -0.286 68.541 68.868 -0.068 0.000 0.869 453 T HN 0.161 nan 8.240 nan 0.000 0.466 454 L N -0.429 120.800 121.223 0.010 0.000 2.653 454 L HA 0.389 4.773 4.340 0.073 0.000 0.231 454 L C 1.948 178.797 176.870 -0.035 0.000 1.153 454 L CA 0.109 54.944 54.840 -0.009 0.000 0.933 454 L CB 0.064 42.084 42.059 -0.065 0.000 1.175 454 L HN 0.159 nan 8.230 nan 0.000 0.473 455 K N -0.187 120.195 120.400 -0.030 0.000 2.358 455 K HA 0.132 4.496 4.320 0.073 0.000 0.197 455 K C 0.114 176.703 176.600 -0.018 0.000 1.025 455 K CA -0.015 56.256 56.287 -0.026 0.000 1.104 455 K CB 0.943 33.427 32.500 -0.027 0.000 0.855 455 K HN 0.139 nan 8.250 nan 0.000 0.531 456 V N -2.922 116.981 119.914 -0.020 0.000 2.769 456 V HA 0.748 4.912 4.120 0.073 0.000 0.312 456 V C -0.131 175.963 176.094 -0.001 0.000 1.058 456 V CA -1.001 61.289 62.300 -0.016 0.000 0.952 456 V CB 1.699 33.501 31.823 -0.034 0.000 1.019 456 V HN -0.090 nan 8.190 nan 0.000 0.445 457 A N 1.851 124.678 122.820 0.011 0.000 2.911 457 A HA 0.541 4.905 4.320 0.073 0.000 0.304 457 A C -0.052 177.546 177.584 0.025 0.000 1.144 457 A CA -0.062 51.993 52.037 0.030 0.000 0.988 457 A CB -0.656 18.377 19.000 0.055 0.000 1.141 457 A HN 0.921 nan 8.150 nan 0.000 0.552 458 D N -0.626 119.778 120.400 0.006 0.000 2.757 458 D HA 0.262 4.946 4.640 0.073 0.000 0.249 458 D C -0.395 175.898 176.300 -0.011 0.000 1.168 458 D CA -0.279 53.722 54.000 0.002 0.000 0.870 458 D CB 1.686 42.483 40.800 -0.006 0.000 1.411 458 D HN 0.001 nan 8.370 nan 0.000 0.525 459 D N 1.530 121.932 120.400 0.004 0.000 2.144 459 D HA -0.091 4.593 4.640 0.073 0.000 0.200 459 D C 1.587 177.873 176.300 -0.024 0.000 0.978 459 D CA 1.314 55.316 54.000 0.003 0.000 0.833 459 D CB 0.317 41.137 40.800 0.033 0.000 0.961 459 D HN 0.455 nan 8.370 nan 0.000 0.470 460 T N 0.431 114.974 114.554 -0.018 0.000 2.777 460 T HA -0.133 4.261 4.350 0.073 0.000 0.266 460 T C 1.924 176.590 174.700 -0.057 0.000 1.040 460 T CA 0.965 63.049 62.100 -0.026 0.000 1.141 460 T CB -0.197 68.665 68.868 -0.012 0.000 0.868 460 T HN 0.225 nan 8.240 nan 0.000 0.444 461 Q N 0.400 120.162 119.800 -0.062 0.000 2.124 461 Q HA -0.031 4.353 4.340 0.073 0.000 0.202 461 Q C 2.541 178.443 176.000 -0.163 0.000 0.977 461 Q CA 1.038 56.790 55.803 -0.086 0.000 0.850 461 Q CB -0.128 28.572 28.738 -0.064 0.000 0.901 461 Q HN 0.380 nan 8.270 nan 0.000 0.429 462 R N 0.049 120.431 120.500 -0.197 0.000 2.073 462 R HA -0.113 4.270 4.340 0.073 0.000 0.234 462 R C 2.318 178.243 176.300 -0.625 0.000 1.134 462 R CA 1.638 57.489 56.100 -0.414 0.000 0.952 462 R CB -0.065 30.065 30.300 -0.285 0.000 0.850 462 R HN 0.088 nan 8.270 nan 0.000 0.433 463 S N 0.454 115.985 115.700 -0.282 0.000 2.399 463 S HA -0.133 4.381 4.470 0.073 0.000 0.231 463 S C 1.549 176.099 174.600 -0.082 0.000 1.022 463 S CA 1.310 59.448 58.200 -0.102 0.000 0.983 463 S CB -0.097 63.105 63.200 0.004 0.000 0.803 463 S HN 0.423 nan 8.310 nan 0.000 0.480 464 E N 0.660 120.796 120.200 -0.106 0.000 2.106 464 E HA -0.023 4.371 4.350 0.073 0.000 0.192 464 E C 1.913 178.467 176.600 -0.076 0.000 0.984 464 E CA 0.691 57.053 56.400 -0.063 0.000 0.806 464 E CB -0.158 29.511 29.700 -0.051 0.000 0.750 464 E HN 0.413 nan 8.360 nan 0.000 0.458 465 L N -0.020 121.105 121.223 -0.162 0.000 2.156 465 L HA -0.161 4.223 4.340 0.073 0.000 0.208 465 L C 2.099 178.925 176.870 -0.072 0.000 1.095 465 L CA 0.753 55.502 54.840 -0.151 0.000 0.770 465 L CB -0.259 41.665 42.059 -0.224 0.000 0.914 465 L HN 0.168 nan 8.230 nan 0.000 0.439 466 Y N -0.185 120.085 120.300 -0.051 0.000 2.242 466 Y HA -0.137 4.457 4.550 0.073 0.000 0.291 466 Y C 2.623 178.502 175.900 -0.035 0.000 1.137 466 Y CA 0.495 58.560 58.100 -0.059 0.000 1.181 466 Y CB -1.159 37.262 38.460 -0.065 0.000 0.989 466 Y HN 0.105 nan 8.280 nan 0.000 0.527 467 A N 0.305 123.199 122.820 0.123 0.000 1.902 467 A HA -0.226 4.138 4.320 0.073 0.000 0.217 467 A C 2.198 179.822 177.584 0.067 0.000 1.181 467 A CA 1.957 54.038 52.037 0.074 0.000 0.623 467 A CB -0.549 18.476 19.000 0.042 0.000 0.818 467 A HN 0.413 nan 8.150 nan 0.000 0.443 468 K N -0.226 120.201 120.400 0.046 0.000 2.097 468 K HA 0.061 4.425 4.320 0.073 0.000 0.205 468 K C 2.252 178.896 176.600 0.073 0.000 1.050 468 K CA 1.005 57.319 56.287 0.045 0.000 0.938 468 K CB -0.304 32.204 32.500 0.015 0.000 0.718 468 K HN 0.428 nan 8.250 nan 0.000 0.442 469 A N 1.653 124.508 122.820 0.058 0.000 1.902 469 A HA -0.195 4.169 4.320 0.073 0.000 0.217 469 A C 1.945 179.686 177.584 0.261 0.000 1.181 469 A CA 1.455 53.533 52.037 0.068 0.000 0.623 469 A CB -0.279 18.643 19.000 -0.129 0.000 0.818 469 A HN 0.160 nan 8.150 nan 0.000 0.443 470 E N -0.043 120.271 120.200 0.189 0.000 2.106 470 E HA -0.206 4.188 4.350 0.073 0.000 0.192 470 E C 2.198 178.887 176.600 0.149 0.000 0.984 470 E CA 1.347 57.848 56.400 0.168 0.000 0.806 470 E CB -0.364 29.397 29.700 0.103 0.000 0.750 470 E HN 0.788 nan 8.360 nan 0.000 0.458 471 Q N 0.323 120.200 119.800 0.129 0.000 2.124 471 Q HA -0.220 4.164 4.340 0.073 0.000 0.202 471 Q C 2.206 178.292 176.000 0.143 0.000 0.977 471 Q CA 1.459 57.333 55.803 0.119 0.000 0.850 471 Q CB -0.123 28.668 28.738 0.088 0.000 0.901 471 Q HN 0.094 nan 8.270 nan 0.000 0.429 472 Q N 0.890 120.799 119.800 0.182 0.000 2.050 472 Q HA -0.169 4.215 4.340 0.073 0.000 0.202 472 Q C 1.838 177.960 176.000 0.203 0.000 0.980 472 Q CA 1.166 57.102 55.803 0.221 0.000 0.840 472 Q CB -0.321 28.604 28.738 0.311 0.000 0.898 472 Q HN 0.312 nan 8.270 nan 0.000 0.424 473 L N 0.670 121.997 121.223 0.174 0.000 2.042 473 L HA -0.179 4.205 4.340 0.073 0.000 0.210 473 L C 1.849 178.685 176.870 -0.057 0.000 1.076 473 L CA 2.505 57.291 54.840 -0.090 0.000 0.749 473 L CB -0.829 41.125 42.059 -0.176 0.000 0.893 473 L HN 0.420 nan 8.230 nan 0.000 0.432 474 D N -0.972 119.464 120.400 0.060 0.000 2.117 474 D HA -0.248 4.436 4.640 0.073 0.000 0.198 474 D C 2.266 178.642 176.300 0.126 0.000 0.982 474 D CA 1.371 55.450 54.000 0.133 0.000 0.828 474 D CB -0.061 40.883 40.800 0.240 0.000 0.967 474 D HN 0.245 nan 8.370 nan 0.000 0.464 475 K N -0.172 120.304 120.400 0.126 0.000 2.074 475 K HA -0.166 4.198 4.320 0.073 0.000 0.209 475 K C 0.995 177.647 176.600 0.087 0.000 1.048 475 K CA 1.754 58.110 56.287 0.114 0.000 0.926 475 K CB 0.012 32.583 32.500 0.119 0.000 0.713 475 K HN 0.145 nan 8.250 nan 0.000 0.444 476 D N 0.144 120.599 120.400 0.091 0.000 2.355 476 D HA 0.010 4.694 4.640 0.073 0.000 0.218 476 D C -0.222 176.098 176.300 0.033 0.000 1.004 476 D CA 0.410 54.469 54.000 0.098 0.000 0.880 476 D CB 0.278 41.218 40.800 0.232 0.000 0.911 476 D HN 0.045 nan 8.370 nan 0.000 0.528 477 S N 0.011 115.703 115.700 -0.012 0.000 3.524 477 S HA -0.246 4.268 4.470 0.073 0.000 0.377 477 S C 1.394 175.940 174.600 -0.090 0.000 0.949 477 S CA 0.294 58.464 58.200 -0.051 0.000 1.264 477 S CB -1.206 61.965 63.200 -0.049 0.000 0.918 477 S HN 0.515 nan 8.310 nan 0.000 0.517 478 A N 0.389 123.076 122.820 -0.221 0.000 1.930 478 A HA 0.276 4.640 4.320 0.073 0.000 0.217 478 A C 0.985 178.436 177.584 -0.223 0.000 1.175 478 A CA 1.456 53.295 52.037 -0.329 0.000 0.627 478 A CB -0.385 18.061 19.000 -0.922 0.000 0.815 478 A HN 1.074 nan 8.150 nan 0.000 0.443 479 I N -5.472 114.982 120.570 -0.194 0.000 3.239 479 I HA 0.666 4.880 4.170 0.073 0.000 0.314 479 I C -1.074 175.077 176.117 0.057 0.000 1.126 479 I CA -1.300 59.968 61.300 -0.053 0.000 0.973 479 I CB 2.319 40.227 38.000 -0.153 0.000 1.252 479 I HN -0.253 nan 8.210 nan 0.000 0.463 480 V N 2.725 122.762 119.914 0.205 0.000 2.275 480 V HA 0.406 4.570 4.120 0.073 0.000 0.272 480 V C -2.372 173.899 176.094 0.296 0.000 1.028 480 V CA -1.520 60.940 62.300 0.266 0.000 0.810 480 V CB 0.546 32.625 31.823 0.427 0.000 1.043 480 V HN 0.594 nan 8.190 nan 0.000 0.453 481 P HA 0.214 nan 4.420 nan 0.000 0.271 481 P C 0.454 177.861 177.300 0.178 0.000 1.220 481 P CA 0.279 63.486 63.100 0.179 0.000 0.768 481 P CB 1.640 33.409 31.700 0.114 0.000 0.848 482 V N 2.743 122.711 119.914 0.089 0.000 2.870 482 V HA 0.198 4.362 4.120 0.073 0.000 0.232 482 V C -0.042 176.055 176.094 0.004 0.000 1.161 482 V CA 1.029 63.365 62.300 0.060 0.000 1.204 482 V CB -0.585 31.231 31.823 -0.012 0.000 1.003 482 V HN 0.550 nan 8.190 nan 0.000 0.499 483 Y N -2.378 117.834 120.300 -0.146 0.000 2.609 483 Y HA 0.745 5.338 4.550 0.072 0.000 0.336 483 Y C -1.585 174.157 175.900 -0.264 0.000 1.129 483 Y CA -2.468 55.473 58.100 -0.265 0.000 1.040 483 Y CB 0.549 38.891 38.460 -0.197 0.000 1.310 483 Y HN 0.088 nan 8.280 nan 0.000 0.460 484 Y N 1.631 122.152 120.300 0.368 0.000 2.327 484 Y HA 0.389 4.983 4.550 0.074 0.000 0.336 484 Y C -0.321 175.900 175.900 0.534 0.000 1.035 484 Y CA -0.879 57.444 58.100 0.372 0.000 1.165 484 Y CB 0.156 38.818 38.460 0.337 0.000 1.181 484 Y HN 0.554 nan 8.280 nan 0.000 0.494 485 Y N 1.724 122.345 120.300 0.536 0.000 2.426 485 Y HA 0.312 4.906 4.550 0.074 0.000 0.344 485 Y C 0.588 176.714 175.900 0.377 0.000 1.256 485 Y CA -0.706 57.689 58.100 0.491 0.000 1.451 485 Y CB 0.396 39.099 38.460 0.404 0.000 1.342 485 Y HN 0.402 nan 8.280 nan 0.000 0.600 486 V N -0.031 120.143 119.914 0.433 0.000 2.881 486 V HA 0.496 4.660 4.120 0.073 0.000 0.316 486 V C -0.390 175.898 176.094 0.324 0.000 1.070 486 V CA -1.306 61.168 62.300 0.290 0.000 0.976 486 V CB 1.886 33.764 31.823 0.091 0.000 1.038 486 V HN 0.740 nan 8.190 nan 0.000 0.446 487 N N 2.377 121.152 118.700 0.125 0.000 2.521 487 N HA 0.567 5.351 4.740 0.073 0.000 0.236 487 N C -0.433 175.011 175.510 -0.110 0.000 1.067 487 N CA 0.155 53.088 53.050 -0.195 0.000 0.939 487 N CB 0.738 38.855 38.487 -0.617 0.000 1.201 487 N HN 1.180 nan 8.380 nan 0.000 0.511 488 A N 4.068 126.840 122.820 -0.081 0.000 2.318 488 A HA 0.820 5.183 4.320 0.073 0.000 0.317 488 A C -0.250 177.278 177.584 -0.093 0.000 1.159 488 A CA -0.711 51.291 52.037 -0.058 0.000 0.799 488 A CB 0.758 19.697 19.000 -0.103 0.000 1.194 488 A HN 0.810 nan 8.150 nan 0.000 0.479 489 R N 1.430 121.880 120.500 -0.084 0.000 2.733 489 R HA 0.747 5.131 4.340 0.073 0.000 0.272 489 R C -1.839 174.345 176.300 -0.194 0.000 1.029 489 R CA -0.964 55.039 56.100 -0.160 0.000 0.888 489 R CB 0.963 31.126 30.300 -0.228 0.000 1.251 489 R HN 0.418 nan 8.270 nan 0.000 0.464 490 L N 1.270 122.289 121.223 -0.341 0.000 2.317 490 L HA 0.721 5.105 4.340 0.073 0.000 0.281 490 L C -0.750 175.890 176.870 -0.383 0.000 1.024 490 L CA -1.368 53.166 54.840 -0.510 0.000 0.810 490 L CB 1.989 43.362 42.059 -1.144 0.000 1.240 490 L HN 0.336 nan 8.230 nan 0.000 0.427 491 V N 2.896 122.701 119.914 -0.181 0.000 2.525 491 V HA 0.318 4.482 4.120 0.073 0.000 0.299 491 V C -0.022 176.000 176.094 -0.120 0.000 1.034 491 V CA -1.101 61.131 62.300 -0.113 0.000 0.863 491 V CB 1.908 33.618 31.823 -0.187 0.000 0.999 491 V HN 0.607 nan 8.190 nan 0.000 0.423 492 K N 4.927 125.149 120.400 -0.297 0.000 2.440 492 K HA 0.153 4.517 4.320 0.073 0.000 0.270 492 K C -1.651 174.501 176.600 -0.746 0.000 0.980 492 K CA -1.474 54.304 56.287 -0.848 0.000 0.953 492 K CB 0.803 32.234 32.500 -1.781 0.000 0.925 492 K HN 0.290 nan 8.250 nan 0.000 0.497 493 P HA -0.101 nan 4.420 nan 0.000 0.222 493 P C 0.615 177.801 177.300 -0.190 0.000 1.147 493 P CA 1.131 64.042 63.100 -0.314 0.000 0.790 493 P CB -0.041 31.560 31.700 -0.165 0.000 0.780 494 W N -1.953 119.239 121.300 -0.180 0.000 3.256 494 W HA 0.320 5.024 4.660 0.073 0.000 0.269 494 W C -0.478 175.955 176.519 -0.143 0.000 1.310 494 W CA -0.217 57.029 57.345 -0.164 0.000 1.673 494 W CB -1.192 28.052 29.460 -0.360 0.000 1.115 494 W HN -0.390 nan 8.180 nan 0.000 0.686 495 V N 3.052 122.844 119.914 -0.202 0.000 2.368 495 V HA 0.604 4.768 4.120 0.073 0.000 0.266 495 V C 0.892 176.829 176.094 -0.262 0.000 1.045 495 V CA -0.323 61.870 62.300 -0.178 0.000 0.899 495 V CB 0.071 31.763 31.823 -0.219 0.000 1.006 495 V HN 0.202 nan 8.190 nan 0.000 0.470 496 G N 2.626 111.097 108.800 -0.549 0.000 2.437 496 G HA2 0.566 4.570 3.960 0.073 0.000 0.319 496 G HA3 0.566 4.570 3.960 0.073 0.000 0.319 496 G C 0.810 175.231 174.900 -0.799 0.000 1.158 496 G CA 0.105 44.660 45.100 -0.908 0.000 0.899 496 G HN 1.451 nan 8.290 nan 0.000 0.502 497 G N -1.258 107.352 108.800 -0.316 0.000 2.195 497 G HA2 -0.246 3.758 3.960 0.073 0.000 0.224 497 G HA3 -0.246 3.758 3.960 0.073 0.000 0.224 497 G C 0.102 175.045 174.900 0.072 0.000 0.990 497 G CA 0.568 45.660 45.100 -0.014 0.000 0.639 497 G HN 1.205 nan 8.290 nan 0.000 0.514 498 Y N 2.939 123.187 120.300 -0.087 0.000 2.504 498 Y HA 0.488 5.099 4.550 0.102 0.000 0.339 498 Y C 1.731 177.604 175.900 -0.046 0.000 0.974 498 Y CA 0.426 58.489 58.100 -0.061 0.000 1.232 498 Y CB 1.068 39.473 38.460 -0.093 0.000 1.108 498 Y HN 0.266 nan 8.280 nan 0.000 0.509 499 T N 0.805 115.129 114.554 -0.383 0.000 2.896 499 T HA 0.121 4.515 4.350 0.073 0.000 0.263 499 T C 1.692 176.100 174.700 -0.487 0.000 1.050 499 T CA 0.946 62.856 62.100 -0.317 0.000 1.140 499 T CB -0.568 68.195 68.868 -0.175 0.000 0.877 499 T HN 1.309 nan 8.240 nan 0.000 0.457 500 G N 1.358 109.649 108.800 -0.848 0.000 2.179 500 G HA2 -0.258 3.746 3.960 0.073 0.000 0.260 500 G HA3 -0.258 3.746 3.960 0.073 0.000 0.260 500 G C 0.946 175.667 174.900 -0.298 0.000 0.977 500 G CA 0.464 45.188 45.100 -0.627 0.000 0.641 500 G HN 0.517 nan 8.290 nan 0.000 0.533 501 K N 0.276 120.533 120.400 -0.238 0.000 2.418 501 K HA 0.050 4.414 4.320 0.073 0.000 0.195 501 K C 0.521 177.055 176.600 -0.110 0.000 1.035 501 K CA 0.392 56.598 56.287 -0.135 0.000 1.003 501 K CB 0.181 32.618 32.500 -0.104 0.000 0.793 501 K HN 0.484 nan 8.250 nan 0.000 0.494 502 D N 1.901 122.228 120.400 -0.122 0.000 2.316 502 D HA 0.057 4.741 4.640 0.073 0.000 0.245 502 D C -1.678 174.621 176.300 -0.003 0.000 1.171 502 D CA -2.318 51.644 54.000 -0.062 0.000 0.856 502 D CB 1.511 42.287 40.800 -0.040 0.000 1.090 502 D HN -0.098 nan 8.370 nan 0.000 0.476 503 P HA -0.012 nan 4.420 nan 0.000 0.237 503 P C 1.094 178.522 177.300 0.214 0.000 1.178 503 P CA 0.435 63.620 63.100 0.142 0.000 0.766 503 P CB 0.437 32.221 31.700 0.139 0.000 0.876 504 L N -1.165 120.142 121.223 0.139 0.000 2.554 504 L HA 0.166 4.550 4.340 0.073 0.000 0.225 504 L C 0.491 177.460 176.870 0.166 0.000 1.104 504 L CA 0.169 55.093 54.840 0.140 0.000 0.866 504 L CB -0.886 41.219 42.059 0.077 0.000 1.047 504 L HN -0.019 nan 8.230 nan 0.000 0.468 505 D N 1.552 122.012 120.400 0.099 0.000 2.699 505 D HA -0.195 4.489 4.640 0.073 0.000 0.239 505 D C 0.029 176.347 176.300 0.030 0.000 1.136 505 D CA 0.314 54.334 54.000 0.034 0.000 0.668 505 D CB -0.887 39.873 40.800 -0.068 0.000 1.060 505 D HN 0.138 nan 8.370 nan 0.000 0.429 506 N N 1.304 120.025 118.700 0.034 0.000 3.124 506 N HA 0.084 4.868 4.740 0.073 0.000 0.284 506 N C 0.159 175.623 175.510 -0.077 0.000 1.209 506 N CA -0.201 52.828 53.050 -0.036 0.000 1.149 506 N CB 0.087 38.606 38.487 0.053 0.000 1.434 506 N HN 0.331 nan 8.380 nan 0.000 0.529 507 I N 1.677 122.200 120.570 -0.078 0.000 2.634 507 I HA 0.041 4.255 4.170 0.073 0.000 0.284 507 I C 0.196 176.188 176.117 -0.208 0.000 1.124 507 I CA -0.260 61.038 61.300 -0.003 0.000 1.417 507 I CB -0.364 37.666 38.000 0.048 0.000 1.396 507 I HN 0.183 nan 8.210 nan 0.000 0.571 508 Y N 4.019 124.370 120.300 0.085 0.000 2.350 508 Y HA 0.286 4.876 4.550 0.067 0.000 0.338 508 Y C 1.039 176.992 175.900 0.089 0.000 0.961 508 Y CA -0.677 57.472 58.100 0.081 0.000 1.100 508 Y CB 1.623 40.136 38.460 0.088 0.000 1.179 508 Y HN 0.251 nan 8.280 nan 0.000 0.454 509 V N 3.128 123.145 119.914 0.172 0.000 2.913 509 V HA -0.265 3.899 4.120 0.073 0.000 0.260 509 V C 2.046 178.298 176.094 0.264 0.000 1.098 509 V CA 1.971 64.332 62.300 0.100 0.000 1.121 509 V CB -0.545 31.175 31.823 -0.173 0.000 0.714 509 V HN 0.800 nan 8.190 nan 0.000 0.487 510 K N 0.303 120.933 120.400 0.384 0.000 2.360 510 K HA -0.158 4.205 4.320 0.073 0.000 0.201 510 K C 1.300 178.020 176.600 0.199 0.000 1.046 510 K CA 1.624 58.073 56.287 0.270 0.000 0.945 510 K CB -0.290 32.284 32.500 0.124 0.000 0.750 510 K HN 0.401 nan 8.250 nan 0.000 0.464 511 N N 0.654 119.482 118.700 0.213 0.000 2.353 511 N HA 0.142 4.926 4.740 0.073 0.000 0.185 511 N C 0.347 175.988 175.510 0.218 0.000 1.098 511 N CA 0.275 53.444 53.050 0.199 0.000 0.872 511 N CB 0.180 38.787 38.487 0.201 0.000 0.970 511 N HN 0.184 nan 8.380 nan 0.000 0.467 512 L N 0.222 121.554 121.223 0.183 0.000 2.416 512 L HA 0.437 4.821 4.340 0.073 0.000 0.263 512 L C -0.586 176.403 176.870 0.198 0.000 1.065 512 L CA -1.115 53.783 54.840 0.096 0.000 0.798 512 L CB 0.705 42.774 42.059 0.017 0.000 1.267 512 L HN 0.091 nan 8.230 nan 0.000 0.467 513 Y N -1.504 118.852 120.300 0.093 0.000 2.592 513 Y HA 0.595 5.178 4.550 0.055 0.000 0.334 513 Y C -1.225 174.745 175.900 0.116 0.000 1.136 513 Y CA -1.445 56.711 58.100 0.094 0.000 1.042 513 Y CB 0.852 39.361 38.460 0.083 0.000 1.325 513 Y HN 0.106 nan 8.280 nan 0.000 0.457 514 I N 4.120 124.857 120.570 0.279 0.000 2.312 514 I HA 0.341 4.555 4.170 0.073 0.000 0.290 514 I C 0.072 176.380 176.117 0.319 0.000 1.008 514 I CA -0.995 60.462 61.300 0.261 0.000 1.226 514 I CB 0.869 38.999 38.000 0.217 0.000 1.371 514 I HN 0.647 nan 8.210 nan 0.000 0.468 515 I N 5.317 126.096 120.570 0.348 0.000 2.575 515 I HA 0.098 4.312 4.170 0.073 0.000 0.285 515 I C 1.041 177.334 176.117 0.293 0.000 1.085 515 I CA -0.419 61.075 61.300 0.325 0.000 1.403 515 I CB 0.502 38.688 38.000 0.311 0.000 1.409 515 I HN 0.489 nan 8.210 nan 0.000 0.557 516 K N 6.220 126.726 120.400 0.177 0.000 2.484 516 K HA 0.034 4.398 4.320 0.073 0.000 0.280 516 K C -0.468 176.203 176.600 0.118 0.000 1.013 516 K CA 0.286 56.619 56.287 0.075 0.000 1.029 516 K CB 0.253 32.769 32.500 0.027 0.000 0.902 516 K HN 0.702 nan 8.250 nan 0.000 0.481 517 H N 0.000 118.998 119.070 -0.120 0.000 2.539 517 H HA 0.000 4.600 4.556 0.074 0.000 0.296 517 H CA 0.000 55.965 56.048 -0.138 0.000 1.023 517 H CB 0.000 29.646 29.762 -0.193 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496