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 3g25_1_B DATA FIRST_RESID 0 DATA SEQUENCE AXEKYILSID QGTTSSRAIL FNQKGEIAGV AQREFKQYFP QSGWVEHDAN DATA SEQUENCE EIWTSVLAVX TEVINENDVR ADQIAGIGIT NQRETTVVWD KHTGRPIYHA DATA SEQUENCE IVWQSRQTQS ICSELKQQGY EQTFRDKTGL LLDPYFAGTK VKWILDNVEG DATA SEQUENCE AREKAENGDL LFGTIDTWLV WKLSGKAAHI TDYSNASRTL XFNIHDLEWD DATA SEQUENCE DELLELLTVP KNXLPEVKAS SEVYGKTIDY HFYGQEVPIA GVAGDQQAAL DATA SEQUENCE FGQACFERGD VKNTYGTGGF XLXNTGDKAV KSESGLLTTI AYGIDGKVNY DATA SEQUENCE ALEGSIFVSG SAIQWLRDGL RXINSAPQSE SYATRVDSTE GVYVVPAFVG DATA SEQUENCE LGTPYWDSEA RGAIFGLTRG TEKEHFIRAT LESLCYQTRD VXEAXSKDSG DATA SEQUENCE IDVQSLRVDG GAVKNNFIXQ FQADIVNTSV ERPEIQETTA LGAAFLAGLA DATA SEQUENCE VGFWESKDDI AKNWKLEEKF DPKXDEGERE KLYRGWKKAV EATQVFKTE 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.604 177.584 0.033 0.000 1.274 0 A CA 0.000 52.058 52.037 0.035 0.000 0.836 0 A CB 0.000 19.029 19.000 0.048 0.000 0.831 3 K N 1.441 121.711 120.400 -0.216 0.000 2.340 3 K HA 0.660 4.052 4.320 -1.546 0.000 0.244 3 K C -1.118 175.256 176.600 -0.376 0.000 0.973 3 K CA -0.615 55.606 56.287 -0.110 0.000 0.828 3 K CB 1.472 34.004 32.500 0.054 0.000 1.226 3 K HN 0.439 nan 8.250 nan 0.000 0.437 4 Y N -0.104 120.103 120.300 -0.155 0.000 2.638 4 Y HA 0.463 4.086 4.550 -1.546 0.000 0.339 4 Y C -0.022 175.534 175.900 -0.572 0.000 1.084 4 Y CA -1.276 56.651 58.100 -0.290 0.000 1.068 4 Y CB 1.506 39.922 38.460 -0.072 0.000 1.294 4 Y HN 0.196 nan 8.280 nan 0.000 0.480 5 I N 2.739 123.105 120.570 -0.339 0.000 2.412 5 I HA 0.271 3.513 4.170 -1.546 0.000 0.296 5 I C -0.886 175.277 176.117 0.076 0.000 0.987 5 I CA -0.743 60.409 61.300 -0.246 0.000 1.180 5 I CB 1.490 39.321 38.000 -0.281 0.000 1.340 5 I HN 0.394 nan 8.210 nan 0.000 0.455 6 L N 5.990 127.249 121.223 0.061 0.000 2.282 6 L HA 0.469 3.881 4.340 -1.546 0.000 0.288 6 L C -0.089 176.879 176.870 0.163 0.000 1.033 6 L CA 0.320 55.237 54.840 0.128 0.000 0.807 6 L CB 1.463 43.598 42.059 0.127 0.000 1.209 6 L HN 0.598 nan 8.230 nan 0.000 0.423 7 S N 5.861 121.701 115.700 0.234 0.000 2.478 7 S HA 0.717 4.260 4.470 -1.546 0.000 0.312 7 S C -0.737 173.978 174.600 0.192 0.000 1.094 7 S CA -0.741 57.608 58.200 0.247 0.000 1.081 7 S CB 0.505 63.947 63.200 0.403 0.000 1.007 7 S HN 0.477 nan 8.310 nan 0.000 0.475 8 I N 4.371 125.035 120.570 0.156 0.000 2.362 8 I HA 0.393 3.635 4.170 -1.546 0.000 0.289 8 I C -0.249 175.951 176.117 0.139 0.000 0.994 8 I CA -0.803 60.577 61.300 0.133 0.000 1.158 8 I CB 1.389 39.455 38.000 0.111 0.000 1.315 8 I HN 0.626 nan 8.210 nan 0.000 0.451 9 D N 6.249 126.736 120.400 0.145 0.000 2.460 9 D HA 0.097 3.809 4.640 -1.546 0.000 0.232 9 D C -0.282 176.112 176.300 0.157 0.000 1.079 9 D CA -0.324 53.767 54.000 0.153 0.000 0.864 9 D CB 0.972 41.872 40.800 0.167 0.000 1.048 9 D HN 0.254 nan 8.370 nan 0.000 0.523 10 Q N 3.251 123.143 119.800 0.153 0.000 2.490 10 Q HA 0.395 3.808 4.340 -1.546 0.000 0.226 10 Q C 0.016 176.154 176.000 0.231 0.000 1.132 10 Q CA -0.481 55.425 55.803 0.170 0.000 0.928 10 Q CB 0.693 29.510 28.738 0.132 0.000 1.299 10 Q HN 0.634 nan 8.270 nan 0.000 0.528 11 G N 1.783 110.757 108.800 0.289 0.000 2.563 11 G HA2 0.197 3.229 3.960 -1.546 0.000 0.283 11 G HA3 0.197 3.229 3.960 -1.546 0.000 0.283 11 G C 0.689 175.873 174.900 0.473 0.000 1.309 11 G CA -0.093 45.206 45.100 0.332 0.000 1.022 11 G HN 0.556 nan 8.290 nan 0.000 0.501 12 T N -0.551 114.298 114.554 0.492 0.000 2.857 12 T HA -0.087 3.335 4.350 -1.546 0.000 0.266 12 T C 2.367 177.214 174.700 0.246 0.000 1.048 12 T CA 2.017 64.467 62.100 0.583 0.000 1.139 12 T CB -0.215 69.061 68.868 0.680 0.000 0.874 12 T HN 0.700 nan 8.240 nan 0.000 0.455 13 T N -1.230 113.330 114.554 0.011 0.000 2.975 13 T HA 0.352 3.774 4.350 -1.546 0.000 0.257 13 T C 0.614 174.947 174.700 -0.612 0.000 1.003 13 T CA 0.122 61.976 62.100 -0.410 0.000 0.932 13 T CB 0.223 69.022 68.868 -0.114 0.000 1.087 13 T HN 0.408 nan 8.240 nan 0.000 0.512 14 S N -0.030 115.607 115.700 -0.106 0.000 2.565 14 S HA 0.701 4.244 4.470 -1.546 0.000 0.269 14 S C -1.293 173.526 174.600 0.366 0.000 1.153 14 S CA -0.763 57.517 58.200 0.133 0.000 0.835 14 S CB 1.820 65.056 63.200 0.061 0.000 1.122 14 S HN 0.132 nan 8.310 nan 0.000 0.462 15 S N 0.931 116.824 115.700 0.322 0.000 2.509 15 S HA 0.702 4.245 4.470 -1.546 0.000 0.297 15 S C -0.604 174.080 174.600 0.140 0.000 1.118 15 S CA -0.937 57.389 58.200 0.210 0.000 1.074 15 S CB 0.830 64.111 63.200 0.135 0.000 1.038 15 S HN 0.641 nan 8.310 nan 0.000 0.498 16 R N 1.062 121.638 120.500 0.126 0.000 2.628 16 R HA 0.739 4.152 4.340 -1.546 0.000 0.288 16 R C -1.192 175.165 176.300 0.094 0.000 0.980 16 R CA -0.791 55.369 56.100 0.101 0.000 0.891 16 R CB 2.025 32.393 30.300 0.112 0.000 1.188 16 R HN 0.634 nan 8.270 nan 0.000 0.450 17 A N 4.039 126.899 122.820 0.067 0.000 2.330 17 A HA 0.723 4.116 4.320 -1.546 0.000 0.313 17 A C -0.566 177.037 177.584 0.032 0.000 1.124 17 A CA -0.678 51.398 52.037 0.065 0.000 0.774 17 A CB 0.814 19.843 19.000 0.048 0.000 1.198 17 A HN 0.667 nan 8.150 nan 0.000 0.465 18 I N 2.661 123.253 120.570 0.035 0.000 2.582 18 I HA 0.332 3.575 4.170 -1.546 0.000 0.292 18 I C -0.866 175.181 176.117 -0.117 0.000 1.066 18 I CA -0.469 60.777 61.300 -0.091 0.000 1.053 18 I CB 2.090 40.009 38.000 -0.135 0.000 1.241 18 I HN 0.501 nan 8.210 nan 0.000 0.421 19 L N 5.415 126.509 121.223 -0.215 0.000 2.307 19 L HA 0.524 3.936 4.340 -1.546 0.000 0.282 19 L C -1.132 175.599 176.870 -0.231 0.000 1.051 19 L CA -0.366 54.402 54.840 -0.120 0.000 0.804 19 L CB 1.010 42.968 42.059 -0.168 0.000 1.197 19 L HN 0.377 nan 8.230 nan 0.000 0.431 20 F N 1.502 121.599 119.950 0.244 0.000 2.507 20 F HA 0.339 3.938 4.527 -1.547 0.000 0.325 20 F C 0.371 176.436 175.800 0.442 0.000 1.116 20 F CA -0.971 57.241 58.000 0.353 0.000 0.930 20 F CB 1.562 40.816 39.000 0.424 0.000 1.146 20 F HN 0.523 nan 8.300 nan 0.000 0.447 21 N N 1.308 120.387 118.700 0.632 0.000 2.405 21 N HA 0.087 3.899 4.740 -1.546 0.000 0.269 21 N C 0.788 176.636 175.510 0.563 0.000 1.249 21 N CA -0.519 52.795 53.050 0.441 0.000 0.974 21 N CB 0.340 38.992 38.487 0.275 0.000 1.204 21 N HN 0.589 nan 8.380 nan 0.000 0.565 22 Q N 0.022 119.995 119.800 0.287 0.000 2.181 22 Q HA -0.117 3.296 4.340 -1.546 0.000 0.205 22 Q C 0.690 176.930 176.000 0.401 0.000 0.980 22 Q CA 1.623 57.447 55.803 0.035 0.000 0.862 22 Q CB -0.130 28.369 28.738 -0.398 0.000 0.905 22 Q HN 0.678 nan 8.270 nan 0.000 0.429 23 K N -1.155 119.428 120.400 0.305 0.000 2.439 23 K HA -0.005 3.388 4.320 -1.546 0.000 0.197 23 K C 1.022 177.827 176.600 0.341 0.000 1.041 23 K CA 0.594 57.047 56.287 0.277 0.000 0.970 23 K CB 0.086 32.697 32.500 0.185 0.000 0.773 23 K HN 0.443 nan 8.250 nan 0.000 0.479 24 G N 1.738 110.836 108.800 0.497 0.000 2.157 24 G HA2 -0.244 2.788 3.960 -1.546 0.000 0.239 24 G HA3 -0.244 2.788 3.960 -1.546 0.000 0.239 24 G C -0.403 174.806 174.900 0.516 0.000 0.982 24 G CA -0.181 45.209 45.100 0.484 0.000 0.650 24 G HN 0.372 nan 8.290 nan 0.000 0.527 25 E N -0.256 120.201 120.200 0.429 0.000 2.349 25 E HA 0.555 3.978 4.350 -1.546 0.000 0.265 25 E C 0.467 177.242 176.600 0.290 0.000 1.064 25 E CA -0.699 55.890 56.400 0.315 0.000 0.886 25 E CB 1.339 31.167 29.700 0.214 0.000 1.036 25 E HN 0.346 nan 8.360 nan 0.000 0.413 26 I N 1.887 122.522 120.570 0.108 0.000 2.471 26 I HA 0.050 3.293 4.170 -1.546 0.000 0.286 26 I C 0.701 176.790 176.117 -0.046 0.000 1.079 26 I CA 0.308 61.524 61.300 -0.140 0.000 1.398 26 I CB 0.929 38.825 38.000 -0.173 0.000 1.403 26 I HN 0.636 nan 8.210 nan 0.000 0.530 27 A N 5.180 127.956 122.820 -0.073 0.000 2.390 27 A HA 0.650 4.042 4.320 -1.546 0.000 0.232 27 A C 0.684 178.193 177.584 -0.126 0.000 1.233 27 A CA 0.225 52.239 52.037 -0.037 0.000 0.907 27 A CB 0.174 19.201 19.000 0.046 0.000 0.967 27 A HN 0.860 nan 8.150 nan 0.000 0.512 28 G N -1.279 107.431 108.800 -0.150 0.000 2.402 28 G HA2 0.483 3.516 3.960 -1.546 0.000 0.301 28 G HA3 0.483 3.516 3.960 -1.546 0.000 0.301 28 G C -1.698 173.125 174.900 -0.129 0.000 1.615 28 G CA -0.164 44.857 45.100 -0.132 0.000 0.889 28 G HN 0.645 nan 8.290 nan 0.000 0.647 29 V N -0.027 119.838 119.914 -0.082 0.000 2.888 29 V HA 0.932 4.124 4.120 -1.546 0.000 0.309 29 V C 0.126 176.203 176.094 -0.029 0.000 1.114 29 V CA -0.193 62.074 62.300 -0.055 0.000 0.940 29 V CB 1.613 33.412 31.823 -0.040 0.000 1.021 29 V HN 2.035 nan 8.190 nan 0.000 0.426 30 A N 3.436 126.250 122.820 -0.011 0.000 2.515 30 A HA 0.925 4.318 4.320 -1.546 0.000 0.298 30 A C -1.120 176.477 177.584 0.021 0.000 1.059 30 A CA -0.577 51.460 52.037 -0.001 0.000 0.698 30 A CB 2.254 21.248 19.000 -0.010 0.000 1.289 30 A HN 0.850 nan 8.150 nan 0.000 0.404 31 Q N 1.263 121.079 119.800 0.026 0.000 2.345 31 Q HA 0.645 4.058 4.340 -1.546 0.000 0.275 31 Q C -1.655 174.371 176.000 0.042 0.000 1.063 31 Q CA -0.795 55.035 55.803 0.046 0.000 0.819 31 Q CB 1.718 30.486 28.738 0.052 0.000 1.356 31 Q HN 0.680 nan 8.270 nan 0.000 0.418 32 R N 2.420 122.958 120.500 0.064 0.000 2.564 32 R HA 0.358 3.770 4.340 -1.546 0.000 0.284 32 R C -1.150 175.213 176.300 0.105 0.000 1.031 32 R CA -0.561 55.577 56.100 0.064 0.000 0.904 32 R CB 2.026 32.358 30.300 0.053 0.000 1.199 32 R HN 0.781 nan 8.270 nan 0.000 0.443 33 E N 2.322 122.552 120.200 0.050 0.000 2.349 33 E HA 0.405 3.827 4.350 -1.546 0.000 0.262 33 E C -0.423 176.208 176.600 0.050 0.000 1.088 33 E CA -0.281 56.102 56.400 -0.027 0.000 0.899 33 E CB 0.789 30.438 29.700 -0.086 0.000 1.044 33 E HN 0.364 nan 8.360 nan 0.000 0.420 34 F N -1.468 118.444 119.950 -0.063 0.000 2.613 34 F HA 0.516 4.114 4.527 -1.548 0.000 0.314 34 F C -0.501 175.220 175.800 -0.133 0.000 1.075 34 F CA -1.516 56.432 58.000 -0.087 0.000 0.945 34 F CB 0.857 39.804 39.000 -0.089 0.000 1.310 34 F HN 0.084 nan 8.300 nan 0.000 0.467 35 K N 1.438 121.833 120.400 -0.008 0.000 2.350 35 K HA 0.201 3.593 4.320 -1.546 0.000 0.279 35 K C -0.756 175.657 176.600 -0.311 0.000 1.027 35 K CA -0.412 55.727 56.287 -0.246 0.000 0.969 35 K CB 0.586 32.870 32.500 -0.360 0.000 0.954 35 K HN 0.595 nan 8.250 nan 0.000 0.474 36 Q N 3.269 122.798 119.800 -0.452 0.000 2.290 36 Q HA 0.204 3.617 4.340 -1.546 0.000 0.259 36 Q C -1.259 174.209 176.000 -0.888 0.000 0.941 36 Q CA -0.312 55.214 55.803 -0.462 0.000 0.912 36 Q CB 1.167 29.634 28.738 -0.450 0.000 1.244 36 Q HN 0.465 nan 8.270 nan 0.000 0.441 37 Y N 1.624 121.565 120.300 -0.598 0.000 2.341 37 Y HA 0.399 4.021 4.550 -1.548 0.000 0.337 37 Y C -0.192 175.369 175.900 -0.565 0.000 1.014 37 Y CA -0.707 57.095 58.100 -0.496 0.000 1.111 37 Y CB 1.031 39.342 38.460 -0.247 0.000 1.194 37 Y HN 0.419 nan 8.280 nan 0.000 0.462 38 F N 4.177 124.221 119.950 0.157 0.000 2.550 38 F HA 0.326 3.924 4.527 -1.548 0.000 0.348 38 F C -1.744 174.097 175.800 0.068 0.000 1.219 38 F CA -1.716 56.347 58.000 0.105 0.000 1.203 38 F CB 0.831 39.850 39.000 0.031 0.000 1.436 38 F HN 0.420 nan 8.300 nan 0.000 0.541 39 P HA -0.036 nan 4.420 nan 0.000 0.225 39 P C -0.234 176.935 177.300 -0.218 0.000 1.156 39 P CA 1.130 64.251 63.100 0.035 0.000 0.787 39 P CB 0.611 32.359 31.700 0.080 0.000 0.802 40 Q N -1.756 117.817 119.800 -0.378 0.000 2.565 40 Q HA 0.357 3.769 4.340 -1.546 0.000 0.294 40 Q C -0.726 175.134 176.000 -0.234 0.000 1.005 40 Q CA -0.845 54.650 55.803 -0.513 0.000 0.771 40 Q CB 1.600 29.632 28.738 -1.177 0.000 1.486 40 Q HN -0.220 nan 8.270 nan 0.000 0.422 41 S N -0.347 115.274 115.700 -0.132 0.000 2.546 41 S HA 0.254 3.796 4.470 -1.546 0.000 0.290 41 S C 1.105 175.784 174.600 0.132 0.000 1.262 41 S CA 1.511 59.709 58.200 -0.003 0.000 1.083 41 S CB -0.574 62.635 63.200 0.014 0.000 0.859 41 S HN 0.920 nan 8.310 nan 0.000 0.495 42 G N 4.180 113.051 108.800 0.120 0.000 2.184 42 G HA2 -0.258 2.775 3.960 -1.546 0.000 0.264 42 G HA3 -0.258 2.775 3.960 -1.546 0.000 0.264 42 G C -0.105 174.974 174.900 0.299 0.000 0.975 42 G CA 0.307 45.510 45.100 0.172 0.000 0.642 42 G HN 0.641 nan 8.290 nan 0.000 0.536 43 W N -0.271 121.045 121.300 0.026 0.000 2.313 43 W HA 0.647 4.380 4.660 -1.545 0.000 0.328 43 W C 0.166 176.745 176.519 0.100 0.000 1.197 43 W CA -0.814 56.542 57.345 0.019 0.000 1.235 43 W CB 1.339 30.823 29.460 0.040 0.000 1.158 43 W HN 0.216 nan 8.180 nan 0.000 0.578 44 V N 2.571 122.606 119.914 0.201 0.000 2.612 44 V HA 0.347 3.539 4.120 -1.546 0.000 0.301 44 V C -0.497 175.547 176.094 -0.084 0.000 1.059 44 V CA -1.211 61.154 62.300 0.108 0.000 0.886 44 V CB 1.552 33.371 31.823 -0.006 0.000 1.007 44 V HN 0.502 nan 8.190 nan 0.000 0.426 45 E N 2.135 122.286 120.200 -0.080 0.000 2.369 45 E HA 0.676 4.098 4.350 -1.546 0.000 0.270 45 E C -1.440 175.097 176.600 -0.105 0.000 0.909 45 E CA -0.915 55.405 56.400 -0.133 0.000 0.775 45 E CB 2.911 32.602 29.700 -0.015 0.000 1.270 45 E HN 0.804 nan 8.360 nan 0.000 0.445 46 H N -0.309 118.709 119.070 -0.087 0.000 2.797 46 H HA 0.210 3.838 4.556 -1.545 0.000 0.372 46 H C -1.154 174.021 175.328 -0.256 0.000 1.168 46 H CA -1.040 55.005 56.048 -0.007 0.000 1.163 46 H CB 1.868 31.708 29.762 0.130 0.000 1.778 46 H HN 0.322 nan 8.280 nan 0.000 0.551 47 D N 1.267 121.667 120.400 -0.001 0.000 2.347 47 D HA 0.146 3.858 4.640 -1.546 0.000 0.235 47 D C 0.652 176.969 176.300 0.030 0.000 1.149 47 D CA -0.130 53.858 54.000 -0.022 0.000 0.850 47 D CB 1.440 42.284 40.800 0.073 0.000 1.061 47 D HN 0.704 nan 8.370 nan 0.000 0.487 48 A N 4.796 127.596 122.820 -0.034 0.000 2.067 48 A HA -0.175 3.217 4.320 -1.546 0.000 0.219 48 A C 1.826 179.542 177.584 0.221 0.000 1.158 48 A CA 0.779 52.764 52.037 -0.086 0.000 0.661 48 A CB -0.158 18.477 19.000 -0.609 0.000 0.801 48 A HN 0.591 nan 8.150 nan 0.000 0.452 49 N N 0.267 119.089 118.700 0.203 0.000 2.142 49 N HA -0.136 3.677 4.740 -1.546 0.000 0.186 49 N C 1.525 177.185 175.510 0.250 0.000 1.023 49 N CA 1.570 54.810 53.050 0.316 0.000 0.852 49 N CB -0.360 38.263 38.487 0.226 0.000 0.998 49 N HN 0.671 nan 8.380 nan 0.000 0.424 50 E N 0.483 120.772 120.200 0.148 0.000 2.204 50 E HA -0.002 3.420 4.350 -1.546 0.000 0.194 50 E C 1.920 178.507 176.600 -0.023 0.000 0.989 50 E CA 0.345 56.799 56.400 0.090 0.000 0.824 50 E CB 0.058 29.834 29.700 0.127 0.000 0.756 50 E HN 0.358 nan 8.360 nan 0.000 0.477 51 I N 0.579 121.093 120.570 -0.092 0.000 2.286 51 I HA -0.221 3.022 4.170 -1.546 0.000 0.245 51 I C 2.366 178.490 176.117 0.012 0.000 1.104 51 I CA 0.849 61.979 61.300 -0.283 0.000 1.397 51 I CB -0.299 37.532 38.000 -0.281 0.000 1.072 51 I HN 0.381 nan 8.210 nan 0.000 0.417 52 W N 2.318 123.629 121.300 0.019 0.000 2.333 52 W HA -0.308 3.423 4.660 -1.548 0.000 0.316 52 W C 2.654 179.119 176.519 -0.090 0.000 1.215 52 W CA 2.275 59.579 57.345 -0.068 0.000 1.278 52 W CB -0.273 29.133 29.460 -0.090 0.000 1.154 52 W HN 0.275 nan 8.180 nan 0.000 0.486 53 T N -1.087 113.353 114.554 -0.191 0.000 2.833 53 T HA -0.250 3.172 4.350 -1.546 0.000 0.269 53 T C 2.083 176.630 174.700 -0.255 0.000 1.054 53 T CA 2.177 64.092 62.100 -0.309 0.000 1.135 53 T CB -1.060 67.745 68.868 -0.105 0.000 0.869 53 T HN 0.257 nan 8.240 nan 0.000 0.466 54 S N 1.066 116.677 115.700 -0.148 0.000 2.399 54 S HA -0.058 3.484 4.470 -1.546 0.000 0.231 54 S C 2.037 176.563 174.600 -0.124 0.000 1.022 54 S CA 0.971 59.121 58.200 -0.082 0.000 0.983 54 S CB -0.978 62.228 63.200 0.009 0.000 0.803 54 S HN 0.397 nan 8.310 nan 0.000 0.480 55 V N 1.901 121.696 119.914 -0.200 0.000 2.379 55 V HA -0.022 3.170 4.120 -1.546 0.000 0.245 55 V C 2.567 178.474 176.094 -0.311 0.000 1.044 55 V CA 1.546 63.729 62.300 -0.195 0.000 1.036 55 V CB -0.787 30.954 31.823 -0.136 0.000 0.664 55 V HN 0.454 nan 8.190 nan 0.000 0.453 56 L N 0.109 120.989 121.223 -0.571 0.000 2.083 56 L HA -0.170 3.243 4.340 -1.546 0.000 0.209 56 L C 2.726 179.430 176.870 -0.277 0.000 1.083 56 L CA 1.535 56.062 54.840 -0.522 0.000 0.752 56 L CB -0.754 40.883 42.059 -0.702 0.000 0.899 56 L HN 0.371 nan 8.230 nan 0.000 0.433 57 A N 0.007 122.693 122.820 -0.223 0.000 1.877 57 A HA -0.077 3.316 4.320 -1.546 0.000 0.216 57 A C 1.406 178.941 177.584 -0.082 0.000 1.186 57 A CA 1.418 53.378 52.037 -0.127 0.000 0.620 57 A CB -0.970 17.976 19.000 -0.090 0.000 0.822 57 A HN 0.224 nan 8.150 nan 0.000 0.443 61 E N 1.107 121.295 120.200 -0.020 0.000 2.047 61 E HA 0.012 3.435 4.350 -1.546 0.000 0.191 61 E C 2.088 178.665 176.600 -0.037 0.000 0.987 61 E CA 1.389 57.774 56.400 -0.025 0.000 0.799 61 E CB -0.076 29.609 29.700 -0.025 0.000 0.752 61 E HN 0.292 nan 8.360 nan 0.000 0.449 62 V N 1.238 121.128 119.914 -0.040 0.000 2.515 62 V HA -0.185 3.008 4.120 -1.546 0.000 0.250 62 V C 1.883 177.918 176.094 -0.099 0.000 1.058 62 V CA 1.128 63.391 62.300 -0.062 0.000 1.064 62 V CB -0.143 31.651 31.823 -0.047 0.000 0.675 62 V HN 0.262 nan 8.190 nan 0.000 0.461 63 I N 0.216 120.723 120.570 -0.105 0.000 2.406 63 I HA -0.119 3.124 4.170 -1.546 0.000 0.249 63 I C 2.120 178.126 176.117 -0.186 0.000 1.122 63 I CA 1.505 62.686 61.300 -0.197 0.000 1.431 63 I CB -1.479 36.330 38.000 -0.319 0.000 1.087 63 I HN 0.457 nan 8.210 nan 0.000 0.424 64 N N 0.473 119.114 118.700 -0.099 0.000 2.300 64 N HA -0.109 3.704 4.740 -1.546 0.000 0.179 64 N C 0.961 176.430 175.510 -0.069 0.000 1.016 64 N CA 0.636 53.644 53.050 -0.069 0.000 0.876 64 N CB 0.164 38.644 38.487 -0.011 0.000 0.979 64 N HN 0.423 nan 8.380 nan 0.000 0.432 65 E N -0.183 119.976 120.200 -0.068 0.000 2.498 65 E HA 0.165 3.588 4.350 -1.546 0.000 0.203 65 E C -0.159 176.400 176.600 -0.068 0.000 1.013 65 E CA -0.119 56.246 56.400 -0.058 0.000 0.927 65 E CB 0.456 30.131 29.700 -0.043 0.000 1.012 65 E HN 0.290 nan 8.360 nan 0.000 0.482 66 N N 0.161 118.803 118.700 -0.095 0.000 3.184 66 N HA 0.180 3.992 4.740 -1.546 0.000 0.353 66 N C -0.448 174.994 175.510 -0.114 0.000 1.441 66 N CA -0.473 52.514 53.050 -0.106 0.000 0.723 66 N CB 0.748 39.153 38.487 -0.137 0.000 1.547 66 N HN -0.097 nan 8.380 nan 0.000 0.624 67 D N 1.094 121.420 120.400 -0.124 0.000 3.035 67 D HA 0.263 3.975 4.640 -1.546 0.000 0.290 67 D C -0.825 175.396 176.300 -0.132 0.000 1.360 67 D CA 0.180 54.122 54.000 -0.096 0.000 0.862 67 D CB 0.707 41.482 40.800 -0.042 0.000 1.078 67 D HN 0.024 nan 8.370 nan 0.000 0.487 68 V N 0.971 120.760 119.914 -0.207 0.000 2.638 68 V HA 0.353 3.546 4.120 -1.546 0.000 0.306 68 V C 0.300 176.270 176.094 -0.205 0.000 1.052 68 V CA -0.877 61.271 62.300 -0.253 0.000 0.885 68 V CB 2.862 34.367 31.823 -0.530 0.000 0.999 68 V HN 0.037 nan 8.190 nan 0.000 0.424 69 R N 2.230 122.643 120.500 -0.145 0.000 2.596 69 R HA 0.632 4.045 4.340 -1.546 0.000 0.267 69 R C 1.333 177.522 176.300 -0.186 0.000 1.026 69 R CA -0.063 55.917 56.100 -0.201 0.000 1.087 69 R CB 1.521 31.738 30.300 -0.138 0.000 1.132 69 R HN 0.808 nan 8.270 nan 0.000 0.531 70 A N 1.438 124.060 122.820 -0.330 0.000 1.940 70 A HA -0.233 3.159 4.320 -1.546 0.000 0.219 70 A C 1.385 179.029 177.584 0.100 0.000 1.176 70 A CA 2.196 54.129 52.037 -0.174 0.000 0.631 70 A CB -0.590 18.176 19.000 -0.389 0.000 0.814 70 A HN 0.852 nan 8.150 nan 0.000 0.446 71 D N -0.497 119.921 120.400 0.031 0.000 2.378 71 D HA -0.144 3.568 4.640 -1.546 0.000 0.222 71 D C 1.487 177.824 176.300 0.061 0.000 0.980 71 D CA 1.094 55.129 54.000 0.059 0.000 0.907 71 D CB -0.602 40.218 40.800 0.032 0.000 0.899 71 D HN 0.634 nan 8.370 nan 0.000 0.527 72 Q N -0.453 119.392 119.800 0.074 0.000 2.360 72 Q HA 0.137 3.549 4.340 -1.546 0.000 0.202 72 Q C -0.007 176.075 176.000 0.137 0.000 0.915 72 Q CA -0.153 55.725 55.803 0.124 0.000 0.943 72 Q CB 0.713 29.579 28.738 0.212 0.000 1.064 72 Q HN 0.292 nan 8.270 nan 0.000 0.511 73 I N 0.962 121.596 120.570 0.107 0.000 2.322 73 I HA 0.087 3.329 4.170 -1.546 0.000 0.292 73 I C 0.994 177.074 176.117 -0.061 0.000 1.060 73 I CA -0.077 61.252 61.300 0.049 0.000 1.309 73 I CB 0.554 38.627 38.000 0.122 0.000 1.415 73 I HN 0.031 nan 8.210 nan 0.000 0.492 74 A N 5.143 127.864 122.820 -0.164 0.000 2.072 74 A HA 0.476 3.869 4.320 -1.546 0.000 0.216 74 A C 1.072 178.531 177.584 -0.209 0.000 1.156 74 A CA 0.943 52.863 52.037 -0.195 0.000 0.701 74 A CB -0.033 18.799 19.000 -0.280 0.000 0.816 74 A HN 0.843 nan 8.150 nan 0.000 0.458 75 G N -1.648 107.010 108.800 -0.237 0.000 2.489 75 G HA2 0.483 3.516 3.960 -1.546 0.000 0.291 75 G HA3 0.483 3.516 3.960 -1.546 0.000 0.291 75 G C -1.507 173.298 174.900 -0.158 0.000 1.487 75 G CA -0.683 44.301 45.100 -0.195 0.000 0.795 75 G HN 0.142 nan 8.290 nan 0.000 0.513 76 I N 0.762 121.261 120.570 -0.117 0.000 2.436 76 I HA 0.595 3.837 4.170 -1.546 0.000 0.289 76 I C 0.632 176.759 176.117 0.016 0.000 1.010 76 I CA -0.792 60.476 61.300 -0.053 0.000 1.098 76 I CB 2.330 40.270 38.000 -0.100 0.000 1.266 76 I HN 0.656 nan 8.210 nan 0.000 0.434 77 G N 6.843 115.682 108.800 0.065 0.000 2.379 77 G HA2 0.770 3.802 3.960 -1.546 0.000 0.327 77 G HA3 0.770 3.802 3.960 -1.546 0.000 0.327 77 G C -0.843 174.120 174.900 0.106 0.000 1.145 77 G CA -0.428 44.730 45.100 0.097 0.000 0.905 77 G HN 0.464 nan 8.290 nan 0.000 0.466 78 I N 1.131 121.759 120.570 0.098 0.000 2.436 78 I HA 0.462 3.705 4.170 -1.546 0.000 0.289 78 I C -0.020 176.142 176.117 0.075 0.000 1.010 78 I CA -0.514 60.837 61.300 0.084 0.000 1.098 78 I CB 2.534 40.570 38.000 0.060 0.000 1.266 78 I HN 0.470 nan 8.210 nan 0.000 0.434 79 T N 5.650 120.258 114.554 0.089 0.000 2.883 79 T HA 0.603 4.026 4.350 -1.546 0.000 0.296 79 T C -1.587 173.168 174.700 0.092 0.000 1.117 79 T CA -0.641 61.508 62.100 0.081 0.000 1.006 79 T CB 1.599 70.522 68.868 0.093 0.000 1.191 79 T HN 0.849 nan 8.240 nan 0.000 0.508 80 N N 1.431 120.177 118.700 0.077 0.000 2.859 80 N HA 0.185 3.998 4.740 -1.546 0.000 0.250 80 N C -1.400 174.155 175.510 0.076 0.000 1.341 80 N CA -0.861 52.247 53.050 0.097 0.000 0.881 80 N CB 1.324 39.869 38.487 0.097 0.000 1.516 80 N HN 0.811 nan 8.380 nan 0.000 0.503 81 Q N 0.774 120.658 119.800 0.141 0.000 2.283 81 Q HA 0.177 3.589 4.340 -1.546 0.000 0.301 81 Q C -0.375 175.667 176.000 0.071 0.000 1.063 81 Q CA 0.172 56.052 55.803 0.128 0.000 0.952 81 Q CB 0.734 29.713 28.738 0.402 0.000 1.166 81 Q HN 0.382 nan 8.270 nan 0.000 0.381 82 R N 1.888 122.328 120.500 -0.100 0.000 2.546 82 R HA 0.113 3.525 4.340 -1.546 0.000 0.266 82 R C 0.113 176.447 176.300 0.056 0.000 1.086 82 R CA -0.298 55.768 56.100 -0.057 0.000 1.160 82 R CB 0.434 30.639 30.300 -0.159 0.000 1.138 82 R HN 0.900 nan 8.270 nan 0.000 0.567 83 E N -1.538 118.723 120.200 0.101 0.000 5.235 83 E HA -0.254 3.169 4.350 -1.546 0.000 0.181 83 E C -0.351 176.395 176.600 0.243 0.000 1.139 83 E CA 2.212 58.721 56.400 0.181 0.000 1.955 83 E CB -1.505 28.273 29.700 0.129 0.000 1.828 83 E HN 0.671 nan 8.360 nan 0.000 0.385 84 T N 1.960 116.688 114.554 0.289 0.000 2.891 84 T HA 0.171 3.594 4.350 -1.546 0.000 0.296 84 T C 0.089 174.893 174.700 0.173 0.000 1.025 84 T CA 1.117 63.360 62.100 0.237 0.000 1.149 84 T CB 0.412 69.459 68.868 0.298 0.000 1.007 84 T HN 0.142 nan 8.240 nan 0.000 0.528 85 T N 3.700 118.339 114.554 0.142 0.000 2.824 85 T HA 0.554 3.976 4.350 -1.546 0.000 0.282 85 T C -0.361 174.386 174.700 0.079 0.000 0.993 85 T CA -0.610 61.590 62.100 0.167 0.000 0.967 85 T CB 1.235 70.261 68.868 0.264 0.000 0.960 85 T HN 0.355 nan 8.240 nan 0.000 0.441 86 V N 3.440 123.368 119.914 0.023 0.000 2.604 86 V HA 0.649 3.841 4.120 -1.546 0.000 0.305 86 V C -0.488 175.669 176.094 0.106 0.000 1.043 86 V CA -0.806 61.465 62.300 -0.048 0.000 0.888 86 V CB 2.013 33.620 31.823 -0.359 0.000 0.995 86 V HN 0.686 nan 8.190 nan 0.000 0.429 87 V N 4.335 124.308 119.914 0.099 0.000 2.531 87 V HA 0.653 3.846 4.120 -1.546 0.000 0.301 87 V C -0.800 175.353 176.094 0.099 0.000 1.034 87 V CA -0.481 61.845 62.300 0.043 0.000 0.865 87 V CB 1.548 33.396 31.823 0.041 0.000 0.995 87 V HN 1.062 nan 8.190 nan 0.000 0.424 88 W N 2.753 123.930 121.300 -0.206 0.000 3.029 88 W HA 0.698 4.429 4.660 -1.548 0.000 0.339 88 W C -0.943 175.483 176.519 -0.155 0.000 1.198 88 W CA -0.925 56.310 57.345 -0.184 0.000 1.148 88 W CB 0.922 30.253 29.460 -0.216 0.000 1.451 88 W HN 0.477 nan 8.180 nan 0.000 0.564 89 D N 2.332 122.837 120.400 0.174 0.000 2.317 89 D HA 0.029 3.741 4.640 -1.546 0.000 0.252 89 D C 1.185 177.576 176.300 0.151 0.000 1.174 89 D CA -0.049 53.998 54.000 0.078 0.000 0.866 89 D CB 1.493 42.382 40.800 0.147 0.000 1.127 89 D HN 0.663 nan 8.370 nan 0.000 0.467 90 K N 3.499 123.826 120.400 -0.123 0.000 2.211 90 K HA -0.170 3.223 4.320 -1.546 0.000 0.203 90 K C 0.858 177.545 176.600 0.146 0.000 1.050 90 K CA 1.076 57.349 56.287 -0.024 0.000 0.945 90 K CB -0.158 32.169 32.500 -0.288 0.000 0.732 90 K HN 0.502 nan 8.250 nan 0.000 0.451 91 H N 1.141 120.354 119.070 0.238 0.000 2.329 91 H HA -0.029 3.600 4.556 -1.545 0.000 0.306 91 H C 2.378 177.834 175.328 0.213 0.000 1.062 91 H CA 1.985 58.150 56.048 0.195 0.000 1.364 91 H CB 0.016 29.849 29.762 0.118 0.000 1.409 91 H HN 0.484 nan 8.280 nan 0.000 0.519 92 T N -2.871 111.877 114.554 0.324 0.000 3.014 92 T HA 0.136 3.559 4.350 -1.546 0.000 0.263 92 T C 1.970 176.850 174.700 0.300 0.000 1.078 92 T CA 0.650 62.906 62.100 0.259 0.000 1.135 92 T CB -0.167 68.828 68.868 0.211 0.000 0.895 92 T HN 0.595 nan 8.240 nan 0.000 0.480 93 G N 1.761 110.823 108.800 0.437 0.000 2.162 93 G HA2 -0.229 2.804 3.960 -1.546 0.000 0.260 93 G HA3 -0.229 2.804 3.960 -1.546 0.000 0.260 93 G C 0.120 175.254 174.900 0.389 0.000 0.976 93 G CA -0.130 45.290 45.100 0.533 0.000 0.655 93 G HN 0.632 nan 8.290 nan 0.000 0.533 94 R N 0.587 121.281 120.500 0.324 0.000 2.297 94 R HA 0.415 3.827 4.340 -1.546 0.000 0.308 94 R C -2.524 173.909 176.300 0.222 0.000 1.029 94 R CA -1.866 54.382 56.100 0.247 0.000 0.929 94 R CB 1.080 31.490 30.300 0.183 0.000 1.046 94 R HN 0.118 nan 8.270 nan 0.000 0.461 95 P HA 0.074 nan 4.420 nan 0.000 0.272 95 P C 0.870 178.221 177.300 0.085 0.000 1.223 95 P CA -0.027 63.102 63.100 0.048 0.000 0.784 95 P CB 0.418 32.036 31.700 -0.136 0.000 0.923 96 I N -1.362 119.269 120.570 0.103 0.000 3.603 96 I HA 0.290 3.532 4.170 -1.546 0.000 0.297 96 I C -0.027 176.200 176.117 0.184 0.000 1.269 96 I CA 0.628 61.997 61.300 0.115 0.000 1.361 96 I CB -0.106 37.950 38.000 0.092 0.000 1.063 96 I HN 0.144 nan 8.210 nan 0.000 0.448 97 Y N 0.198 120.502 120.300 0.007 0.000 2.713 97 Y HA 0.407 4.028 4.550 -1.548 0.000 0.335 97 Y C -0.291 175.613 175.900 0.006 0.000 1.222 97 Y CA -1.451 56.647 58.100 -0.004 0.000 1.061 97 Y CB 0.856 39.361 38.460 0.075 0.000 1.314 97 Y HN 0.023 nan 8.280 nan 0.000 0.453 98 H N 1.433 120.012 119.070 -0.819 0.000 2.983 98 H HA 0.376 4.004 4.556 -1.546 0.000 0.361 98 H C -0.118 175.103 175.328 -0.178 0.000 1.145 98 H CA 0.326 56.072 56.048 -0.503 0.000 1.404 98 H CB 0.652 30.035 29.762 -0.632 0.000 1.356 98 H HN 0.713 nan 8.280 nan 0.000 0.612 99 A N 3.017 125.840 122.820 0.004 0.000 2.450 99 A HA 0.221 3.614 4.320 -1.546 0.000 0.255 99 A C 0.102 177.682 177.584 -0.007 0.000 1.096 99 A CA -0.311 51.725 52.037 -0.001 0.000 0.778 99 A CB -0.107 18.882 19.000 -0.018 0.000 1.031 99 A HN 0.563 nan 8.150 nan 0.000 0.494 100 I N 3.452 124.021 120.570 -0.002 0.000 2.325 100 I HA 0.165 3.408 4.170 -1.546 0.000 0.291 100 I C -0.037 176.021 176.117 -0.099 0.000 1.019 100 I CA -0.410 60.831 61.300 -0.099 0.000 1.302 100 I CB 1.267 39.161 38.000 -0.176 0.000 1.401 100 I HN 0.342 nan 8.210 nan 0.000 0.485 101 V N 6.686 126.478 119.914 -0.204 0.000 2.881 101 V HA -0.011 3.182 4.120 -1.546 0.000 0.303 101 V C 1.222 177.249 176.094 -0.111 0.000 1.070 101 V CA -0.370 61.800 62.300 -0.217 0.000 1.074 101 V CB 1.012 32.515 31.823 -0.533 0.000 1.012 101 V HN 0.934 nan 8.190 nan 0.000 0.482 102 W N 1.787 123.099 121.300 0.021 0.000 2.305 102 W HA -0.243 3.471 4.660 -1.577 0.000 0.308 102 W C 1.412 177.915 176.519 -0.027 0.000 1.226 102 W CA 1.471 58.869 57.345 0.087 0.000 1.253 102 W CB -0.912 28.700 29.460 0.253 0.000 1.146 102 W HN 0.655 nan 8.180 nan 0.000 0.507 103 Q N 1.069 120.448 119.800 -0.702 0.000 2.226 103 Q HA -0.094 3.319 4.340 -1.546 0.000 0.204 103 Q C 1.416 177.153 176.000 -0.438 0.000 0.975 103 Q CA 1.022 56.362 55.803 -0.772 0.000 0.866 103 Q CB -0.242 27.950 28.738 -0.909 0.000 0.915 103 Q HN 0.098 nan 8.270 nan 0.000 0.440 104 S N 0.266 115.775 115.700 -0.319 0.000 2.558 104 S HA -0.002 3.540 4.470 -1.546 0.000 0.288 104 S C 0.775 175.225 174.600 -0.249 0.000 1.318 104 S CA -0.163 57.890 58.200 -0.245 0.000 1.056 104 S CB 0.459 63.487 63.200 -0.287 0.000 0.853 104 S HN 0.189 nan 8.310 nan 0.000 0.505 105 R N 2.619 122.998 120.500 -0.200 0.000 2.427 105 R HA 0.063 3.476 4.340 -1.546 0.000 0.262 105 R C 1.793 177.925 176.300 -0.280 0.000 0.943 105 R CA 0.110 56.120 56.100 -0.150 0.000 1.081 105 R CB -0.295 30.005 30.300 -0.000 0.000 1.166 105 R HN 0.874 nan 8.270 nan 0.000 0.534 106 Q N 0.344 119.739 119.800 -0.676 0.000 2.364 106 Q HA -0.068 3.344 4.340 -1.546 0.000 0.207 106 Q C 0.651 176.314 176.000 -0.562 0.000 0.970 106 Q CA 1.658 56.792 55.803 -1.115 0.000 0.888 106 Q CB -0.140 27.208 28.738 -2.316 0.000 0.951 106 Q HN 0.089 nan 8.270 nan 0.000 0.469 107 T N -3.456 110.879 114.554 -0.366 0.000 3.163 107 T HA 0.105 3.527 4.350 -1.546 0.000 0.252 107 T C 1.378 176.077 174.700 -0.003 0.000 1.056 107 T CA 0.124 62.168 62.100 -0.093 0.000 0.947 107 T CB 0.568 69.383 68.868 -0.089 0.000 1.016 107 T HN 0.268 nan 8.240 nan 0.000 0.554 108 Q N 1.812 121.605 119.800 -0.011 0.000 2.112 108 Q HA -0.125 3.288 4.340 -1.546 0.000 0.206 108 Q C 2.328 178.367 176.000 0.066 0.000 0.987 108 Q CA 2.154 57.982 55.803 0.041 0.000 0.858 108 Q CB -0.621 28.153 28.738 0.061 0.000 0.905 108 Q HN 0.557 nan 8.270 nan 0.000 0.420 109 S N -0.191 115.559 115.700 0.083 0.000 2.356 109 S HA -0.131 3.412 4.470 -1.546 0.000 0.223 109 S C 1.798 176.439 174.600 0.068 0.000 1.032 109 S CA 1.353 59.602 58.200 0.083 0.000 1.005 109 S CB -0.330 62.928 63.200 0.096 0.000 0.867 109 S HN 0.409 nan 8.310 nan 0.000 0.449 110 I N 1.060 121.673 120.570 0.072 0.000 2.163 110 I HA -0.280 2.962 4.170 -1.546 0.000 0.243 110 I C 2.409 178.549 176.117 0.038 0.000 1.085 110 I CA 0.905 62.237 61.300 0.053 0.000 1.347 110 I CB -0.508 37.529 38.000 0.061 0.000 1.044 110 I HN 0.371 nan 8.210 nan 0.000 0.408 111 C N -0.024 119.296 119.300 0.033 0.000 2.413 111 C HA -0.155 3.377 4.460 -1.546 0.000 0.276 111 C C 3.185 178.204 174.990 0.049 0.000 1.236 111 C CA 1.317 60.348 59.018 0.023 0.000 1.735 111 C CB -1.032 26.732 27.740 0.039 0.000 2.031 111 C HN 0.504 nan 8.230 nan 0.000 0.474 112 S N 0.535 116.271 115.700 0.060 0.000 2.359 112 S HA -0.242 3.301 4.470 -1.546 0.000 0.224 112 S C 1.766 176.406 174.600 0.067 0.000 1.035 112 S CA 1.974 60.213 58.200 0.065 0.000 1.018 112 S CB -0.439 62.799 63.200 0.063 0.000 0.876 112 S HN 0.751 nan 8.310 nan 0.000 0.448 113 E N 1.309 121.549 120.200 0.067 0.000 2.077 113 E HA -0.081 3.341 4.350 -1.546 0.000 0.193 113 E C 1.891 178.560 176.600 0.114 0.000 0.989 113 E CA 1.011 57.457 56.400 0.076 0.000 0.800 113 E CB -0.350 29.389 29.700 0.065 0.000 0.746 113 E HN 0.462 nan 8.360 nan 0.000 0.452 114 L N 0.098 121.396 121.223 0.126 0.000 2.093 114 L HA -0.139 3.273 4.340 -1.546 0.000 0.208 114 L C 2.437 179.443 176.870 0.227 0.000 1.085 114 L CA 1.308 56.281 54.840 0.222 0.000 0.755 114 L CB -0.263 41.888 42.059 0.152 0.000 0.904 114 L HN 0.080 nan 8.230 nan 0.000 0.435 115 K N -0.348 120.131 120.400 0.131 0.000 2.057 115 K HA -0.177 3.215 4.320 -1.546 0.000 0.206 115 K C 2.160 178.802 176.600 0.071 0.000 1.050 115 K CA 1.195 57.544 56.287 0.104 0.000 0.935 115 K CB -0.101 32.447 32.500 0.080 0.000 0.715 115 K HN 0.317 nan 8.250 nan 0.000 0.439 116 Q N 0.733 120.572 119.800 0.065 0.000 2.124 116 Q HA -0.185 3.227 4.340 -1.546 0.000 0.202 116 Q C 1.744 177.751 176.000 0.010 0.000 0.977 116 Q CA 1.369 57.195 55.803 0.038 0.000 0.850 116 Q CB 0.043 28.807 28.738 0.043 0.000 0.901 116 Q HN 0.352 nan 8.270 nan 0.000 0.429 117 Q N -0.916 118.902 119.800 0.030 0.000 2.482 117 Q HA 0.042 3.454 4.340 -1.546 0.000 0.209 117 Q C 0.568 176.371 176.000 -0.328 0.000 0.961 117 Q CA 0.455 56.224 55.803 -0.057 0.000 0.945 117 Q CB 0.495 29.315 28.738 0.137 0.000 1.012 117 Q HN 0.535 nan 8.270 nan 0.000 0.515 118 G N 0.055 108.736 108.800 -0.198 0.000 2.142 118 G HA2 -0.288 2.745 3.960 -1.546 0.000 0.225 118 G HA3 -0.288 2.745 3.960 -1.546 0.000 0.225 118 G C 0.063 174.818 174.900 -0.241 0.000 1.015 118 G CA -0.056 44.908 45.100 -0.226 0.000 0.716 118 G HN 0.494 nan 8.290 nan 0.000 0.508 119 Y N -0.509 119.857 120.300 0.110 0.000 2.458 119 Y HA 0.311 3.932 4.550 -1.549 0.000 0.256 119 Y C 2.168 178.218 175.900 0.250 0.000 1.159 119 Y CA 0.639 58.835 58.100 0.160 0.000 1.261 119 Y CB 0.462 39.068 38.460 0.242 0.000 1.119 119 Y HN 0.477 nan 8.280 nan 0.000 0.524 120 E N 0.754 121.134 120.200 0.300 0.000 2.110 120 E HA -0.289 3.134 4.350 -1.546 0.000 0.193 120 E C 2.012 178.741 176.600 0.216 0.000 0.988 120 E CA 1.157 57.717 56.400 0.265 0.000 0.804 120 E CB 0.187 29.971 29.700 0.140 0.000 0.745 120 E HN 0.328 nan 8.360 nan 0.000 0.458 121 Q N 0.034 119.916 119.800 0.137 0.000 2.124 121 Q HA -0.115 3.297 4.340 -1.546 0.000 0.202 121 Q C 1.880 177.925 176.000 0.074 0.000 0.977 121 Q CA 2.223 58.075 55.803 0.081 0.000 0.850 121 Q CB -0.371 28.390 28.738 0.039 0.000 0.901 121 Q HN 0.244 nan 8.270 nan 0.000 0.429 122 T N -0.148 114.456 114.554 0.084 0.000 2.708 122 T HA -0.113 3.310 4.350 -1.546 0.000 0.266 122 T C 1.338 175.998 174.700 -0.068 0.000 1.037 122 T CA 1.495 63.585 62.100 -0.017 0.000 1.146 122 T CB -0.477 68.357 68.868 -0.057 0.000 0.865 122 T HN 0.263 nan 8.240 nan 0.000 0.435 123 F N 1.387 121.357 119.950 0.034 0.000 2.134 123 F HA -0.024 3.578 4.527 -1.542 0.000 0.299 123 F C 2.699 178.483 175.800 -0.027 0.000 1.097 123 F CA 1.036 59.035 58.000 -0.001 0.000 1.264 123 F CB -0.279 38.721 39.000 0.001 0.000 1.001 123 F HN -0.033 nan 8.300 nan 0.000 0.479 124 R N 0.246 120.839 120.500 0.155 0.000 2.073 124 R HA -0.163 3.250 4.340 -1.546 0.000 0.234 124 R C 1.810 178.140 176.300 0.050 0.000 1.134 124 R CA 1.754 57.891 56.100 0.061 0.000 0.952 124 R CB -0.573 29.748 30.300 0.035 0.000 0.850 124 R HN 0.212 nan 8.270 nan 0.000 0.433 125 D N 0.347 120.766 120.400 0.032 0.000 2.144 125 D HA -0.130 3.582 4.640 -1.546 0.000 0.199 125 D C 1.596 177.929 176.300 0.055 0.000 0.984 125 D CA 1.369 55.369 54.000 0.001 0.000 0.834 125 D CB 0.009 40.779 40.800 -0.050 0.000 0.955 125 D HN 0.219 nan 8.370 nan 0.000 0.465 126 K N -0.606 119.822 120.400 0.047 0.000 2.211 126 K HA 0.023 3.415 4.320 -1.546 0.000 0.201 126 K C 1.881 178.528 176.600 0.079 0.000 1.052 126 K CA 1.207 57.540 56.287 0.076 0.000 0.973 126 K CB 0.371 32.842 32.500 -0.048 0.000 0.766 126 K HN 0.198 nan 8.250 nan 0.000 0.466 127 T N -4.449 110.135 114.554 0.051 0.000 2.955 127 T HA 0.210 3.633 4.350 -1.546 0.000 0.251 127 T C 1.385 176.059 174.700 -0.043 0.000 1.002 127 T CA 0.465 62.568 62.100 0.005 0.000 0.970 127 T CB 0.889 69.770 68.868 0.021 0.000 1.091 127 T HN 0.232 nan 8.240 nan 0.000 0.495 128 G N 1.400 110.190 108.800 -0.017 0.000 2.159 128 G HA2 -0.199 2.834 3.960 -1.546 0.000 0.256 128 G HA3 -0.199 2.834 3.960 -1.546 0.000 0.256 128 G C 0.041 174.877 174.900 -0.106 0.000 0.977 128 G CA 0.598 45.679 45.100 -0.031 0.000 0.652 128 G HN 0.624 nan 8.290 nan 0.000 0.531 129 L N -0.972 120.126 121.223 -0.208 0.000 2.798 129 L HA 0.957 4.370 4.340 -1.546 0.000 0.230 129 L C 0.929 177.638 176.870 -0.269 0.000 1.868 129 L CA -0.822 53.758 54.840 -0.434 0.000 2.126 129 L CB 0.575 42.014 42.059 -1.034 0.000 2.569 129 L HN 0.442 nan 8.230 nan 0.000 0.592 130 L N -2.498 118.575 121.223 -0.251 0.000 2.933 130 L HA 0.442 3.854 4.340 -1.546 0.000 0.271 130 L C -1.354 175.531 176.870 0.025 0.000 1.071 130 L CA -0.916 53.877 54.840 -0.080 0.000 0.938 130 L CB 1.886 43.847 42.059 -0.163 0.000 1.534 130 L HN 0.248 nan 8.230 nan 0.000 0.396 131 L N 1.450 122.679 121.223 0.010 0.000 2.466 131 L HA 0.379 3.792 4.340 -1.546 0.000 0.248 131 L C -0.790 176.143 176.870 0.104 0.000 1.240 131 L CA 0.301 55.134 54.840 -0.012 0.000 1.180 131 L CB -0.389 41.621 42.059 -0.082 0.000 1.413 131 L HN 0.576 nan 8.230 nan 0.000 0.406 132 D N 0.759 121.296 120.400 0.228 0.000 2.252 132 D HA 0.344 4.056 4.640 -1.546 0.000 0.245 132 D C -1.755 174.634 176.300 0.148 0.000 1.009 132 D CA -1.883 52.262 54.000 0.241 0.000 0.870 132 D CB 2.330 43.361 40.800 0.384 0.000 1.251 132 D HN -0.064 nan 8.370 nan 0.000 0.460 133 P HA -0.142 nan 4.420 nan 0.000 0.226 133 P C 0.780 178.062 177.300 -0.029 0.000 1.146 133 P CA 0.560 63.663 63.100 0.004 0.000 0.773 133 P CB -0.071 31.607 31.700 -0.037 0.000 0.772 134 Y N 0.621 120.746 120.300 -0.293 0.000 2.151 134 Y HA -0.159 3.478 4.550 -1.522 0.000 0.284 134 Y C 0.760 176.429 175.900 -0.385 0.000 1.166 134 Y CA 0.450 58.274 58.100 -0.460 0.000 1.163 134 Y CB -1.185 36.845 38.460 -0.717 0.000 0.974 134 Y HN -0.200 nan 8.280 nan 0.000 0.511 135 F N -1.267 118.771 119.950 0.148 0.000 2.370 135 F HA 0.466 4.050 4.527 -1.570 0.000 0.324 135 F C 1.568 177.393 175.800 0.042 0.000 1.116 135 F CA -0.338 57.663 58.000 0.002 0.000 1.123 135 F CB 0.138 39.117 39.000 -0.035 0.000 1.238 135 F HN -0.094 nan 8.300 nan 0.000 0.536 136 A N 1.595 124.567 122.820 0.254 0.000 1.933 136 A HA -0.019 3.374 4.320 -1.546 0.000 0.218 136 A C 2.370 180.009 177.584 0.092 0.000 1.175 136 A CA 1.834 53.993 52.037 0.203 0.000 0.628 136 A CB -1.577 17.619 19.000 0.328 0.000 0.814 136 A HN 0.960 nan 8.150 nan 0.000 0.444 137 G N -0.139 108.695 108.800 0.056 0.000 2.513 137 G HA2 -0.334 2.698 3.960 -1.546 0.000 0.219 137 G HA3 -0.334 2.698 3.960 -1.546 0.000 0.219 137 G C 1.781 176.667 174.900 -0.024 0.000 1.160 137 G CA 2.328 47.411 45.100 -0.029 0.000 0.767 137 G HN 0.779 nan 8.290 nan 0.000 0.571 138 T N -0.969 113.588 114.554 0.005 0.000 2.962 138 T HA 0.053 3.476 4.350 -1.546 0.000 0.270 138 T C 2.135 176.863 174.700 0.047 0.000 1.088 138 T CA 1.497 63.605 62.100 0.013 0.000 1.127 138 T CB -0.154 68.715 68.868 0.001 0.000 0.883 138 T HN 0.401 nan 8.240 nan 0.000 0.493 139 K N 0.825 121.244 120.400 0.032 0.000 2.062 139 K HA 0.058 3.450 4.320 -1.546 0.000 0.205 139 K C 2.375 179.033 176.600 0.096 0.000 1.051 139 K CA 1.103 57.406 56.287 0.026 0.000 0.941 139 K CB -0.452 32.056 32.500 0.014 0.000 0.719 139 K HN 0.217 nan 8.250 nan 0.000 0.440 140 V N 2.182 122.129 119.914 0.055 0.000 2.261 140 V HA -0.291 2.901 4.120 -1.546 0.000 0.246 140 V C 2.415 178.521 176.094 0.020 0.000 1.047 140 V CA 1.898 64.210 62.300 0.019 0.000 1.015 140 V CB -0.509 31.221 31.823 -0.155 0.000 0.642 140 V HN 0.327 nan 8.190 nan 0.000 0.446 141 K N -0.995 119.409 120.400 0.007 0.000 2.044 141 K HA -0.293 3.100 4.320 -1.546 0.000 0.210 141 K C 2.021 178.647 176.600 0.043 0.000 1.049 141 K CA 2.322 58.611 56.287 0.004 0.000 0.927 141 K CB -0.397 32.103 32.500 0.001 0.000 0.713 141 K HN 0.567 nan 8.250 nan 0.000 0.443 142 W N 1.225 122.458 121.300 -0.111 0.000 2.335 142 W HA -0.195 3.541 4.660 -1.541 0.000 0.311 142 W C 1.607 178.018 176.519 -0.180 0.000 1.213 142 W CA 1.779 59.037 57.345 -0.144 0.000 1.274 142 W CB -0.131 29.227 29.460 -0.171 0.000 1.148 142 W HN 0.047 nan 8.180 nan 0.000 0.498 143 I N 0.310 121.058 120.570 0.297 0.000 2.142 143 I HA -0.370 2.873 4.170 -1.546 0.000 0.240 143 I C 2.357 178.430 176.117 -0.074 0.000 1.078 143 I CA 1.513 62.881 61.300 0.113 0.000 1.343 143 I CB -0.813 37.273 38.000 0.143 0.000 1.046 143 I HN 0.005 nan 8.210 nan 0.000 0.405 144 L N 0.030 121.219 121.223 -0.057 0.000 2.131 144 L HA -0.216 3.197 4.340 -1.546 0.000 0.210 144 L C 1.794 178.580 176.870 -0.140 0.000 1.092 144 L CA 1.097 55.882 54.840 -0.091 0.000 0.759 144 L CB -0.587 41.427 42.059 -0.076 0.000 0.903 144 L HN 0.263 nan 8.230 nan 0.000 0.435 145 D N -0.800 119.485 120.400 -0.191 0.000 2.271 145 D HA -0.056 3.657 4.640 -1.546 0.000 0.206 145 D C 1.757 177.856 176.300 -0.334 0.000 0.967 145 D CA 0.723 54.584 54.000 -0.232 0.000 0.867 145 D CB 0.081 40.746 40.800 -0.225 0.000 0.960 145 D HN 0.257 nan 8.370 nan 0.000 0.509 146 N N -0.325 118.067 118.700 -0.515 0.000 2.294 146 N HA 0.043 3.856 4.740 -1.546 0.000 0.186 146 N C -0.150 175.087 175.510 -0.455 0.000 1.107 146 N CA 0.110 52.773 53.050 -0.645 0.000 0.884 146 N CB 1.848 39.528 38.487 -1.346 0.000 1.030 146 N HN -0.035 nan 8.380 nan 0.000 0.482 147 V N 2.426 122.131 119.914 -0.347 0.000 2.432 147 V HA 0.102 3.295 4.120 -1.546 0.000 0.275 147 V C 0.430 176.456 176.094 -0.113 0.000 1.043 147 V CA -0.752 61.434 62.300 -0.192 0.000 0.925 147 V CB 1.429 33.179 31.823 -0.122 0.000 0.985 147 V HN 0.067 nan 8.190 nan 0.000 0.466 148 E N 3.977 124.134 120.200 -0.072 0.000 2.480 148 E HA 0.343 3.766 4.350 -1.546 0.000 0.258 148 E C 1.192 177.774 176.600 -0.031 0.000 0.984 148 E CA 1.226 57.596 56.400 -0.050 0.000 0.930 148 E CB 0.247 29.930 29.700 -0.029 0.000 0.936 148 E HN 0.948 nan 8.360 nan 0.000 0.466 149 G N 3.320 112.098 108.800 -0.036 0.000 2.253 149 G HA2 -0.383 2.649 3.960 -1.546 0.000 0.251 149 G HA3 -0.383 2.649 3.960 -1.546 0.000 0.251 149 G C 1.206 176.089 174.900 -0.028 0.000 0.998 149 G CA 0.587 45.673 45.100 -0.024 0.000 0.621 149 G HN 0.983 nan 8.290 nan 0.000 0.524 150 A N 0.702 123.498 122.820 -0.039 0.000 1.873 150 A HA -0.037 3.355 4.320 -1.546 0.000 0.218 150 A C 2.211 179.764 177.584 -0.051 0.000 1.193 150 A CA 3.007 55.018 52.037 -0.043 0.000 0.629 150 A CB -0.579 18.387 19.000 -0.057 0.000 0.826 150 A HN 0.945 nan 8.150 nan 0.000 0.447 151 R N 0.324 120.788 120.500 -0.061 0.000 2.096 151 R HA -0.189 3.223 4.340 -1.546 0.000 0.240 151 R C 1.814 178.085 176.300 -0.049 0.000 1.139 151 R CA 2.443 58.506 56.100 -0.061 0.000 0.952 151 R CB -0.805 29.457 30.300 -0.065 0.000 0.854 151 R HN 0.629 nan 8.270 nan 0.000 0.436 152 E N 0.187 120.363 120.200 -0.039 0.000 2.051 152 E HA -0.136 3.287 4.350 -1.546 0.000 0.192 152 E C 1.953 178.538 176.600 -0.025 0.000 0.991 152 E CA 1.766 58.149 56.400 -0.029 0.000 0.799 152 E CB -0.113 29.574 29.700 -0.021 0.000 0.748 152 E HN 0.376 nan 8.360 nan 0.000 0.449 153 K N 0.458 120.844 120.400 -0.023 0.000 2.097 153 K HA -0.072 3.320 4.320 -1.546 0.000 0.206 153 K C 2.196 178.772 176.600 -0.039 0.000 1.049 153 K CA 1.145 57.421 56.287 -0.018 0.000 0.933 153 K CB -0.218 32.274 32.500 -0.012 0.000 0.717 153 K HN 0.129 nan 8.250 nan 0.000 0.442 154 A N 1.778 124.565 122.820 -0.055 0.000 1.883 154 A HA -0.236 3.156 4.320 -1.546 0.000 0.217 154 A C 1.931 179.478 177.584 -0.063 0.000 1.186 154 A CA 1.660 53.652 52.037 -0.074 0.000 0.624 154 A CB -0.440 18.513 19.000 -0.079 0.000 0.822 154 A HN 0.305 nan 8.150 nan 0.000 0.444 155 E N -0.238 119.933 120.200 -0.048 0.000 2.153 155 E HA -0.142 3.281 4.350 -1.546 0.000 0.194 155 E C 1.130 177.714 176.600 -0.027 0.000 0.988 155 E CA 0.983 57.360 56.400 -0.038 0.000 0.811 155 E CB -0.146 29.534 29.700 -0.033 0.000 0.746 155 E HN 0.489 nan 8.360 nan 0.000 0.466 156 N N -0.369 118.319 118.700 -0.019 0.000 2.461 156 N HA -0.010 3.803 4.740 -1.546 0.000 0.188 156 N C 0.798 176.310 175.510 0.003 0.000 1.134 156 N CA 0.930 53.978 53.050 -0.003 0.000 0.878 156 N CB 0.968 39.461 38.487 0.010 0.000 0.972 156 N HN 0.279 nan 8.380 nan 0.000 0.456 157 G N 0.829 109.616 108.800 -0.023 0.000 2.143 157 G HA2 -0.243 2.790 3.960 -1.546 0.000 0.248 157 G HA3 -0.243 2.790 3.960 -1.546 0.000 0.248 157 G C 0.383 175.255 174.900 -0.047 0.000 0.991 157 G CA 0.366 45.444 45.100 -0.035 0.000 0.689 157 G HN 0.262 nan 8.290 nan 0.000 0.522 158 D N -0.221 120.157 120.400 -0.037 0.000 2.323 158 D HA 0.170 3.882 4.640 -1.546 0.000 0.209 158 D C 1.549 177.737 176.300 -0.186 0.000 0.973 158 D CA 0.547 54.517 54.000 -0.050 0.000 0.874 158 D CB 0.259 41.090 40.800 0.053 0.000 0.930 158 D HN 0.542 nan 8.370 nan 0.000 0.521 159 L N 0.653 121.749 121.223 -0.212 0.000 2.331 159 L HA 0.477 3.889 4.340 -1.546 0.000 0.275 159 L C -0.216 176.359 176.870 -0.491 0.000 1.022 159 L CA -0.726 53.919 54.840 -0.326 0.000 0.812 159 L CB 1.986 43.911 42.059 -0.223 0.000 1.257 159 L HN -0.287 nan 8.230 nan 0.000 0.435 160 L N 1.789 122.501 121.223 -0.851 0.000 2.362 160 L HA 0.505 3.918 4.340 -1.546 0.000 0.271 160 L C -0.807 175.468 176.870 -0.993 0.000 1.002 160 L CA -0.561 53.630 54.840 -1.081 0.000 0.818 160 L CB 2.384 43.321 42.059 -1.869 0.000 1.298 160 L HN 0.389 nan 8.230 nan 0.000 0.420 161 F N 1.151 120.729 119.950 -0.619 0.000 2.399 161 F HA 0.840 4.437 4.527 -1.549 0.000 0.328 161 F C 0.111 175.828 175.800 -0.138 0.000 1.084 161 F CA -0.490 57.304 58.000 -0.343 0.000 1.053 161 F CB 1.869 40.743 39.000 -0.210 0.000 1.209 161 F HN 0.357 nan 8.300 nan 0.000 0.502 162 G N 2.317 110.436 108.800 -1.135 0.000 2.755 162 G HA2 0.461 3.494 3.960 -1.546 0.000 0.297 162 G HA3 0.461 3.494 3.960 -1.546 0.000 0.297 162 G C -1.160 173.274 174.900 -0.776 0.000 1.441 162 G CA -0.420 44.112 45.100 -0.946 0.000 0.964 162 G HN 0.885 nan 8.290 nan 0.000 0.540 163 T N 0.134 114.366 114.554 -0.536 0.000 2.732 163 T HA 0.322 3.745 4.350 -1.546 0.000 0.287 163 T C 1.644 176.350 174.700 0.010 0.000 0.993 163 T CA -0.693 61.344 62.100 -0.105 0.000 0.966 163 T CB 0.828 69.719 68.868 0.038 0.000 1.047 163 T HN 0.200 nan 8.240 nan 0.000 0.527 164 I N 1.945 122.568 120.570 0.088 0.000 2.226 164 I HA -0.148 3.094 4.170 -1.546 0.000 0.245 164 I C 2.544 178.751 176.117 0.151 0.000 1.100 164 I CA 1.597 62.995 61.300 0.163 0.000 1.374 164 I CB -1.388 36.719 38.000 0.179 0.000 1.057 164 I HN 0.841 nan 8.210 nan 0.000 0.413 165 D N 0.332 120.778 120.400 0.077 0.000 2.116 165 D HA -0.219 3.494 4.640 -1.546 0.000 0.193 165 D C 1.796 178.107 176.300 0.019 0.000 0.998 165 D CA 2.058 56.075 54.000 0.028 0.000 0.836 165 D CB -0.858 39.925 40.800 -0.028 0.000 0.951 165 D HN 0.228 nan 8.370 nan 0.000 0.449 166 T N -0.048 114.528 114.554 0.037 0.000 2.777 166 T HA -0.138 3.285 4.350 -1.546 0.000 0.266 166 T C 1.492 176.323 174.700 0.218 0.000 1.040 166 T CA 1.112 63.265 62.100 0.089 0.000 1.141 166 T CB -0.634 68.255 68.868 0.034 0.000 0.868 166 T HN 0.412 nan 8.240 nan 0.000 0.444 167 W N 1.539 122.800 121.300 -0.065 0.000 2.333 167 W HA -0.201 3.531 4.660 -1.546 0.000 0.316 167 W C 1.562 177.929 176.519 -0.254 0.000 1.215 167 W CA 0.573 57.714 57.345 -0.340 0.000 1.278 167 W CB -0.345 28.912 29.460 -0.338 0.000 1.154 167 W HN 0.142 nan 8.180 nan 0.000 0.486 168 L N 0.889 122.007 121.223 -0.176 0.000 1.989 168 L HA -0.241 3.172 4.340 -1.546 0.000 0.211 168 L C 2.559 179.301 176.870 -0.213 0.000 1.071 168 L CA 1.559 56.258 54.840 -0.235 0.000 0.749 168 L CB -1.863 40.204 42.059 0.015 0.000 0.890 168 L HN -0.121 nan 8.230 nan 0.000 0.431 169 V N -1.949 117.919 119.914 -0.078 0.000 2.343 169 V HA -0.313 2.880 4.120 -1.546 0.000 0.247 169 V C 2.179 178.259 176.094 -0.023 0.000 1.051 169 V CA 1.727 64.004 62.300 -0.039 0.000 1.036 169 V CB -0.742 31.057 31.823 -0.040 0.000 0.654 169 V HN 0.626 nan 8.190 nan 0.000 0.451 170 W N 1.047 122.231 121.300 -0.195 0.000 2.355 170 W HA -0.141 3.592 4.660 -1.545 0.000 0.309 170 W C 2.542 178.817 176.519 -0.407 0.000 1.206 170 W CA 1.680 58.920 57.345 -0.174 0.000 1.284 170 W CB -0.054 29.404 29.460 -0.003 0.000 1.145 170 W HN -0.015 nan 8.180 nan 0.000 0.502 171 K N -0.045 120.026 120.400 -0.550 0.000 2.026 171 K HA -0.185 3.207 4.320 -1.546 0.000 0.208 171 K C 1.925 178.081 176.600 -0.740 0.000 1.048 171 K CA 1.399 57.038 56.287 -1.080 0.000 0.929 171 K CB -1.401 29.706 32.500 -2.321 0.000 0.713 171 K HN 0.244 nan 8.250 nan 0.000 0.439 172 L N 1.850 122.777 121.223 -0.493 0.000 2.083 172 L HA -0.127 3.286 4.340 -1.546 0.000 0.209 172 L C 2.044 178.882 176.870 -0.054 0.000 1.083 172 L CA 1.943 56.753 54.840 -0.051 0.000 0.752 172 L CB -0.719 41.383 42.059 0.072 0.000 0.899 172 L HN 0.211 nan 8.230 nan 0.000 0.433 173 S N -1.085 114.525 115.700 -0.149 0.000 2.603 173 S HA 0.243 3.785 4.470 -1.546 0.000 0.220 173 S C 1.392 175.848 174.600 -0.240 0.000 0.967 173 S CA 0.179 58.286 58.200 -0.155 0.000 0.920 173 S CB -0.656 62.477 63.200 -0.111 0.000 0.773 173 S HN 0.775 nan 8.310 nan 0.000 0.529 174 G N 2.278 110.894 108.800 -0.307 0.000 2.198 174 G HA2 -0.303 2.729 3.960 -1.546 0.000 0.257 174 G HA3 -0.303 2.729 3.960 -1.546 0.000 0.257 174 G C 0.341 174.954 174.900 -0.480 0.000 1.042 174 G CA 0.071 44.962 45.100 -0.348 0.000 0.791 174 G HN 0.615 nan 8.290 nan 0.000 0.502 175 K N -3.262 116.645 120.400 -0.821 0.000 3.446 175 K HA -0.304 3.089 4.320 -1.546 0.000 0.312 175 K C 1.940 178.242 176.600 -0.497 0.000 1.329 175 K CA 1.479 57.053 56.287 -1.188 0.000 0.935 175 K CB -1.958 29.935 32.500 -1.013 0.000 1.281 175 K HN 1.443 nan 8.250 nan 0.000 0.457 176 A N 0.821 123.467 122.820 -0.290 0.000 1.929 176 A HA 0.294 3.686 4.320 -1.546 0.000 0.216 176 A C 1.023 178.613 177.584 0.009 0.000 1.176 176 A CA 1.401 53.376 52.037 -0.103 0.000 0.628 176 A CB 0.119 19.068 19.000 -0.085 0.000 0.816 176 A HN 0.521 nan 8.150 nan 0.000 0.444 177 A N -0.802 122.046 122.820 0.046 0.000 2.343 177 A HA 0.579 3.971 4.320 -1.546 0.000 0.308 177 A C -0.731 177.067 177.584 0.357 0.000 1.092 177 A CA -0.360 51.775 52.037 0.163 0.000 0.751 177 A CB 0.415 19.481 19.000 0.110 0.000 1.203 177 A HN 0.452 nan 8.150 nan 0.000 0.452 178 H N 3.534 122.760 119.070 0.261 0.000 2.736 178 H HA 0.548 4.177 4.556 -1.546 0.000 0.271 178 H C -1.278 174.137 175.328 0.145 0.000 1.184 178 H CA -0.415 55.807 56.048 0.289 0.000 1.378 178 H CB 0.314 30.251 29.762 0.290 0.000 1.428 178 H HN 0.729 nan 8.280 nan 0.000 0.500 179 I N 0.751 121.289 120.570 -0.053 0.000 3.095 179 I HA 0.604 3.846 4.170 -1.546 0.000 0.310 179 I C -0.887 175.104 176.117 -0.211 0.000 1.196 179 I CA -0.825 60.385 61.300 -0.150 0.000 0.985 179 I CB 2.352 40.261 38.000 -0.152 0.000 1.250 179 I HN 0.257 nan 8.210 nan 0.000 0.446 180 T N 0.677 115.093 114.554 -0.230 0.000 2.841 180 T HA 0.504 3.926 4.350 -1.546 0.000 0.296 180 T C -1.768 172.731 174.700 -0.335 0.000 1.166 180 T CA -0.432 61.521 62.100 -0.245 0.000 1.007 180 T CB 1.311 70.104 68.868 -0.125 0.000 1.253 180 T HN 1.046 nan 8.240 nan 0.000 0.511 181 D N 0.642 120.855 120.400 -0.313 0.000 2.487 181 D HA 0.214 3.927 4.640 -1.546 0.000 0.262 181 D C 0.678 176.741 176.300 -0.395 0.000 1.130 181 D CA -0.433 53.362 54.000 -0.342 0.000 1.038 181 D CB 0.476 41.174 40.800 -0.169 0.000 1.142 181 D HN 0.552 nan 8.370 nan 0.000 0.575 182 Y N 0.005 120.146 120.300 -0.266 0.000 2.224 182 Y HA -0.190 3.431 4.550 -1.548 0.000 0.289 182 Y C 2.952 178.673 175.900 -0.299 0.000 1.146 182 Y CA 1.712 59.590 58.100 -0.371 0.000 1.182 182 Y CB -0.730 37.603 38.460 -0.212 0.000 0.983 182 Y HN 0.491 nan 8.280 nan 0.000 0.524 183 S N -0.040 115.653 115.700 -0.011 0.000 2.356 183 S HA -0.203 3.339 4.470 -1.546 0.000 0.223 183 S C 1.908 176.474 174.600 -0.057 0.000 1.032 183 S CA 1.373 59.560 58.200 -0.022 0.000 1.005 183 S CB -0.676 62.538 63.200 0.024 0.000 0.867 183 S HN 0.437 nan 8.310 nan 0.000 0.449 184 N N 2.521 121.174 118.700 -0.079 0.000 2.084 184 N HA -0.005 3.808 4.740 -1.546 0.000 0.190 184 N C 2.074 177.546 175.510 -0.064 0.000 1.030 184 N CA 1.538 54.553 53.050 -0.059 0.000 0.849 184 N CB -0.852 37.604 38.487 -0.051 0.000 1.012 184 N HN 0.629 nan 8.380 nan 0.000 0.423 185 A N 1.049 123.733 122.820 -0.226 0.000 1.940 185 A HA -0.159 3.234 4.320 -1.546 0.000 0.219 185 A C 2.340 179.822 177.584 -0.169 0.000 1.176 185 A CA 2.059 53.882 52.037 -0.357 0.000 0.631 185 A CB -0.803 17.473 19.000 -1.206 0.000 0.814 185 A HN 0.482 nan 8.150 nan 0.000 0.446 186 S N -0.624 115.005 115.700 -0.118 0.000 2.465 186 S HA -0.125 3.417 4.470 -1.546 0.000 0.241 186 S C 1.477 176.104 174.600 0.045 0.000 1.000 186 S CA 1.042 59.290 58.200 0.079 0.000 0.964 186 S CB -0.278 62.958 63.200 0.059 0.000 0.763 186 S HN 0.516 nan 8.310 nan 0.000 0.512 187 R N 1.297 121.823 120.500 0.044 0.000 2.359 187 R HA 0.186 3.598 4.340 -1.546 0.000 0.231 187 R C 1.801 178.187 176.300 0.143 0.000 0.913 187 R CA 0.963 57.096 56.100 0.055 0.000 1.075 187 R CB -1.147 29.186 30.300 0.054 0.000 1.087 187 R HN 0.783 nan 8.270 nan 0.000 0.515 188 T N -2.215 112.450 114.554 0.186 0.000 3.067 188 T HA 0.148 3.571 4.350 -1.546 0.000 0.257 188 T C 0.843 175.655 174.700 0.187 0.000 1.105 188 T CA -0.234 62.015 62.100 0.248 0.000 1.104 188 T CB 0.145 69.241 68.868 0.379 0.000 0.925 188 T HN 0.026 nan 8.240 nan 0.000 0.498 192 N N 6.592 124.979 118.700 -0.521 0.000 2.405 192 N HA 0.167 3.979 4.740 -1.546 0.000 0.260 192 N C 1.090 176.257 175.510 -0.571 0.000 1.152 192 N CA -0.024 52.792 53.050 -0.390 0.000 0.948 192 N CB 0.795 39.112 38.487 -0.284 0.000 1.111 192 N HN 0.822 nan 8.380 nan 0.000 0.485 193 I N 1.268 121.658 120.570 -0.301 0.000 3.111 193 I HA -0.039 3.204 4.170 -1.546 0.000 0.272 193 I C 0.949 176.908 176.117 -0.262 0.000 1.268 193 I CA 0.558 61.735 61.300 -0.205 0.000 1.467 193 I CB -0.158 37.784 38.000 -0.097 0.000 1.087 193 I HN 0.405 nan 8.210 nan 0.000 0.467 194 H N 2.019 121.047 119.070 -0.070 0.000 2.399 194 H HA 0.016 3.644 4.556 -1.547 0.000 0.300 194 H C 1.148 176.425 175.328 -0.085 0.000 1.048 194 H CA 1.638 57.645 56.048 -0.068 0.000 1.370 194 H CB 0.001 29.700 29.762 -0.106 0.000 1.428 194 H HN 0.586 nan 8.280 nan 0.000 0.534 195 D N 0.297 120.668 120.400 -0.048 0.000 2.369 195 D HA 0.024 3.736 4.640 -1.546 0.000 0.211 195 D C 0.608 176.809 176.300 -0.164 0.000 1.077 195 D CA -0.162 53.786 54.000 -0.086 0.000 0.842 195 D CB -0.297 40.458 40.800 -0.076 0.000 0.947 195 D HN 0.168 nan 8.370 nan 0.000 0.509 196 L N -0.090 120.949 121.223 -0.305 0.000 3.597 196 L HA -0.197 3.215 4.340 -1.546 0.000 0.440 196 L C -0.878 175.768 176.870 -0.373 0.000 1.277 196 L CA 0.719 55.369 54.840 -0.316 0.000 0.852 196 L CB -1.342 40.711 42.059 -0.011 0.000 1.708 196 L HN 0.223 nan 8.230 nan 0.000 0.885 197 E N -1.189 118.545 120.200 -0.777 0.000 2.356 197 E HA 0.302 3.724 4.350 -1.546 0.000 0.275 197 E C -0.688 175.631 176.600 -0.468 0.000 0.904 197 E CA -0.758 55.405 56.400 -0.396 0.000 0.757 197 E CB 0.836 30.459 29.700 -0.129 0.000 1.232 197 E HN 0.138 nan 8.360 nan 0.000 0.442 198 W N 1.453 122.788 121.300 0.057 0.000 2.314 198 W HA -0.003 3.728 4.660 -1.549 0.000 0.339 198 W C 0.904 177.396 176.519 -0.045 0.000 1.293 198 W CA 0.252 57.650 57.345 0.088 0.000 1.288 198 W CB 0.399 29.934 29.460 0.124 0.000 1.186 198 W HN 0.201 nan 8.180 nan 0.000 0.566 199 D N 3.317 123.843 120.400 0.211 0.000 2.373 199 D HA 0.003 3.715 4.640 -1.546 0.000 0.227 199 D C 0.481 176.800 176.300 0.032 0.000 1.091 199 D CA -0.178 53.851 54.000 0.049 0.000 0.840 199 D CB 0.943 41.725 40.800 -0.030 0.000 1.060 199 D HN 0.385 nan 8.370 nan 0.000 0.502 200 D N 2.671 123.080 120.400 0.015 0.000 2.149 200 D HA -0.199 3.513 4.640 -1.546 0.000 0.198 200 D C 1.486 177.754 176.300 -0.053 0.000 0.990 200 D CA 0.925 54.918 54.000 -0.012 0.000 0.839 200 D CB 0.258 41.051 40.800 -0.011 0.000 0.948 200 D HN 0.674 nan 8.370 nan 0.000 0.460 201 E N 0.392 120.545 120.200 -0.079 0.000 2.051 201 E HA -0.136 3.287 4.350 -1.546 0.000 0.192 201 E C 2.292 178.784 176.600 -0.180 0.000 0.991 201 E CA 0.546 56.871 56.400 -0.125 0.000 0.799 201 E CB -0.060 29.555 29.700 -0.142 0.000 0.748 201 E HN 0.228 nan 8.360 nan 0.000 0.449 202 L N 0.672 121.778 121.223 -0.196 0.000 2.083 202 L HA -0.183 3.230 4.340 -1.546 0.000 0.209 202 L C 2.625 179.464 176.870 -0.052 0.000 1.083 202 L CA 0.717 55.424 54.840 -0.222 0.000 0.752 202 L CB -0.423 41.525 42.059 -0.185 0.000 0.899 202 L HN 0.251 nan 8.230 nan 0.000 0.433 203 L N -0.465 120.730 121.223 -0.046 0.000 2.093 203 L HA -0.183 3.230 4.340 -1.546 0.000 0.208 203 L C 2.566 179.393 176.870 -0.071 0.000 1.085 203 L CA 1.253 56.057 54.840 -0.059 0.000 0.755 203 L CB -0.449 41.564 42.059 -0.077 0.000 0.904 203 L HN 0.291 nan 8.230 nan 0.000 0.435 204 E N 0.138 120.290 120.200 -0.081 0.000 2.106 204 E HA -0.180 3.243 4.350 -1.546 0.000 0.192 204 E C 2.352 178.894 176.600 -0.097 0.000 0.984 204 E CA 0.926 57.276 56.400 -0.084 0.000 0.806 204 E CB -0.076 29.575 29.700 -0.082 0.000 0.750 204 E HN 0.472 nan 8.360 nan 0.000 0.458 205 L N 0.499 121.642 121.223 -0.133 0.000 2.131 205 L HA -0.159 3.254 4.340 -1.546 0.000 0.210 205 L C 2.161 179.011 176.870 -0.033 0.000 1.092 205 L CA 0.812 55.558 54.840 -0.157 0.000 0.759 205 L CB -0.182 41.722 42.059 -0.257 0.000 0.903 205 L HN 0.146 nan 8.230 nan 0.000 0.435 206 L N -0.444 120.785 121.223 0.009 0.000 2.591 206 L HA 0.021 3.433 4.340 -1.546 0.000 0.228 206 L C 1.083 177.928 176.870 -0.041 0.000 1.133 206 L CA 0.441 55.284 54.840 0.005 0.000 0.880 206 L CB -0.480 41.594 42.059 0.024 0.000 1.033 206 L HN 0.472 nan 8.230 nan 0.000 0.450 207 T N -3.100 111.421 114.554 -0.055 0.000 3.996 207 T HA -0.181 3.242 4.350 -1.546 0.000 0.348 207 T C -0.093 174.557 174.700 -0.083 0.000 0.757 207 T CA 0.237 62.298 62.100 -0.065 0.000 1.898 207 T CB -2.841 65.994 68.868 -0.056 0.000 1.861 207 T HN 0.008 nan 8.240 nan 0.000 0.821 208 V N 1.927 121.778 119.914 -0.104 0.000 2.347 208 V HA 0.512 3.705 4.120 -1.546 0.000 0.280 208 V C -1.843 174.164 176.094 -0.145 0.000 1.021 208 V CA -1.939 60.274 62.300 -0.144 0.000 0.847 208 V CB 1.426 33.125 31.823 -0.206 0.000 0.990 208 V HN 0.302 nan 8.190 nan 0.000 0.444 209 P HA 0.188 nan 4.420 nan 0.000 0.271 209 P C 0.531 177.738 177.300 -0.156 0.000 1.220 209 P CA -0.376 62.651 63.100 -0.121 0.000 0.768 209 P CB 0.825 32.464 31.700 -0.102 0.000 0.848 210 K N 3.893 124.210 120.400 -0.139 0.000 2.211 210 K HA -0.162 3.230 4.320 -1.546 0.000 0.204 210 K C 0.785 177.296 176.600 -0.149 0.000 1.047 210 K CA 1.008 57.197 56.287 -0.164 0.000 0.935 210 K CB -0.633 31.811 32.500 -0.094 0.000 0.728 210 K HN 0.676 nan 8.250 nan 0.000 0.452 214 P HA 0.166 nan 4.420 nan 0.000 0.277 214 P C -1.087 176.301 177.300 0.146 0.000 1.271 214 P CA -0.273 62.575 63.100 -0.420 0.000 0.795 214 P CB 0.925 32.248 31.700 -0.628 0.000 1.101 215 E N 0.117 120.366 120.200 0.081 0.000 2.259 215 E HA 0.264 3.687 4.350 -1.546 0.000 0.281 215 E C -0.964 175.651 176.600 0.024 0.000 1.027 215 E CA -0.582 55.904 56.400 0.144 0.000 0.838 215 E CB 0.327 30.085 29.700 0.098 0.000 1.066 215 E HN 0.062 nan 8.360 nan 0.000 0.401 216 V N 6.248 126.131 119.914 -0.051 0.000 2.488 216 V HA 0.282 3.475 4.120 -1.546 0.000 0.277 216 V C 0.310 176.189 176.094 -0.359 0.000 1.046 216 V CA -0.289 61.816 62.300 -0.326 0.000 0.986 216 V CB 0.775 32.251 31.823 -0.579 0.000 0.989 216 V HN 0.597 nan 8.190 nan 0.000 0.475 217 K N 2.593 122.723 120.400 -0.451 0.000 2.346 217 K HA 0.793 4.186 4.320 -1.546 0.000 0.238 217 K C 0.103 176.306 176.600 -0.661 0.000 1.039 217 K CA -0.655 55.412 56.287 -0.367 0.000 0.861 217 K CB 2.082 34.591 32.500 0.016 0.000 1.278 217 K HN 0.655 nan 8.250 nan 0.000 0.460 218 A N 0.393 123.013 122.820 -0.333 0.000 2.387 218 A HA 0.126 3.519 4.320 -1.546 0.000 0.251 218 A C 0.808 178.409 177.584 0.028 0.000 1.113 218 A CA 0.261 52.246 52.037 -0.087 0.000 0.794 218 A CB -0.052 19.000 19.000 0.087 0.000 1.069 218 A HN 0.617 nan 8.150 nan 0.000 0.506 219 S N -0.714 115.035 115.700 0.082 0.000 2.548 219 S HA 0.179 3.722 4.470 -1.546 0.000 0.215 219 S C 0.616 175.247 174.600 0.051 0.000 0.976 219 S CA 0.765 59.012 58.200 0.079 0.000 0.908 219 S CB 0.005 63.222 63.200 0.029 0.000 0.781 219 S HN 0.780 nan 8.310 nan 0.000 0.519 220 S N 1.438 117.129 115.700 -0.015 0.000 2.746 220 S HA 0.534 4.076 4.470 -1.546 0.000 0.273 220 S C -1.118 173.376 174.600 -0.176 0.000 1.172 220 S CA -0.503 57.642 58.200 -0.092 0.000 1.116 220 S CB 0.637 63.790 63.200 -0.079 0.000 1.057 220 S HN 0.389 nan 8.310 nan 0.000 0.483 221 E N 3.094 123.055 120.200 -0.399 0.000 2.472 221 E HA 0.243 3.665 4.350 -1.546 0.000 0.290 221 E C -1.655 174.485 176.600 -0.767 0.000 1.059 221 E CA -0.696 55.415 56.400 -0.482 0.000 0.861 221 E CB 1.165 30.595 29.700 -0.449 0.000 1.213 221 E HN 0.390 nan 8.360 nan 0.000 0.425 222 V N 5.346 124.998 119.914 -0.435 0.000 2.421 222 V HA 0.033 3.225 4.120 -1.546 0.000 0.271 222 V C 0.305 176.204 176.094 -0.325 0.000 1.031 222 V CA 0.570 62.662 62.300 -0.347 0.000 1.032 222 V CB -0.280 31.441 31.823 -0.171 0.000 1.009 222 V HN 0.666 nan 8.190 nan 0.000 0.477 223 Y N 3.566 123.844 120.300 -0.037 0.000 2.448 223 Y HA 0.428 4.051 4.550 -1.545 0.000 0.289 223 Y C 1.559 177.445 175.900 -0.024 0.000 1.114 223 Y CA 0.696 58.779 58.100 -0.028 0.000 1.235 223 Y CB 0.429 38.873 38.460 -0.027 0.000 1.045 223 Y HN 0.779 nan 8.280 nan 0.000 0.554 224 G N -0.671 108.185 108.800 0.093 0.000 2.336 224 G HA2 0.367 3.400 3.960 -1.546 0.000 0.286 224 G HA3 0.367 3.400 3.960 -1.546 0.000 0.286 224 G C -1.750 173.146 174.900 -0.007 0.000 1.269 224 G CA -1.097 44.024 45.100 0.035 0.000 0.873 224 G HN -0.107 nan 8.290 nan 0.000 0.494 225 K N -0.165 120.214 120.400 -0.034 0.000 2.444 225 K HA 0.638 4.030 4.320 -1.546 0.000 0.252 225 K C -0.165 176.386 176.600 -0.082 0.000 0.993 225 K CA -0.582 55.664 56.287 -0.068 0.000 0.847 225 K CB 2.049 34.507 32.500 -0.070 0.000 1.340 225 K HN 0.838 nan 8.250 nan 0.000 0.446 226 T N -0.764 113.723 114.554 -0.111 0.000 2.928 226 T HA 0.138 3.560 4.350 -1.546 0.000 0.305 226 T C 0.601 175.246 174.700 -0.091 0.000 1.035 226 T CA -0.509 61.540 62.100 -0.085 0.000 1.145 226 T CB 0.248 69.058 68.868 -0.097 0.000 0.963 226 T HN 0.505 nan 8.240 nan 0.000 0.545 227 I N 3.233 123.714 120.570 -0.148 0.000 2.648 227 I HA 0.048 3.291 4.170 -1.546 0.000 0.284 227 I C 1.485 177.430 176.117 -0.286 0.000 1.153 227 I CA -0.424 60.695 61.300 -0.302 0.000 1.426 227 I CB 0.627 38.278 38.000 -0.580 0.000 1.381 227 I HN 0.928 nan 8.210 nan 0.000 0.571 228 D N 6.279 126.552 120.400 -0.212 0.000 2.133 228 D HA -0.343 3.370 4.640 -1.546 0.000 0.195 228 D C 1.481 177.765 176.300 -0.028 0.000 0.997 228 D CA 2.194 56.161 54.000 -0.055 0.000 0.840 228 D CB -0.744 40.058 40.800 0.003 0.000 0.947 228 D HN 0.777 nan 8.370 nan 0.000 0.452 229 Y N -1.456 118.803 120.300 -0.069 0.000 2.571 229 Y HA 0.125 3.748 4.550 -1.546 0.000 0.294 229 Y C 1.483 177.304 175.900 -0.130 0.000 1.141 229 Y CA 0.606 58.626 58.100 -0.134 0.000 1.308 229 Y CB -0.542 37.799 38.460 -0.199 0.000 1.002 229 Y HN 0.029 nan 8.280 nan 0.000 0.551 230 H N -0.934 118.122 119.070 -0.024 0.000 2.551 230 H HA 0.193 3.822 4.556 -1.545 0.000 0.271 230 H C -0.689 174.710 175.328 0.118 0.000 0.984 230 H CA -0.368 55.718 56.048 0.062 0.000 1.164 230 H CB 0.198 30.029 29.762 0.115 0.000 1.437 230 H HN 0.461 nan 8.280 nan 0.000 0.550 231 F N 0.269 120.243 119.950 0.040 0.000 2.577 231 F HA 0.150 3.750 4.527 -1.546 0.000 0.359 231 F C -0.581 175.343 175.800 0.207 0.000 1.535 231 F CA -0.637 57.428 58.000 0.107 0.000 1.093 231 F CB -0.292 38.774 39.000 0.109 0.000 1.613 231 F HN -0.101 nan 8.300 nan 0.000 0.558 232 Y N 0.169 120.425 120.300 -0.074 0.000 3.978 232 Y HA -0.262 3.360 4.550 -1.546 0.000 0.219 232 Y C 1.544 177.454 175.900 0.017 0.000 1.153 232 Y CA 1.148 59.208 58.100 -0.067 0.000 1.718 232 Y CB -1.469 36.895 38.460 -0.160 0.000 1.541 232 Y HN 0.680 nan 8.280 nan 0.000 0.640 233 G N -1.682 107.210 108.800 0.153 0.000 2.175 233 G HA2 -0.241 2.792 3.960 -1.546 0.000 0.244 233 G HA3 -0.241 2.792 3.960 -1.546 0.000 0.244 233 G C -0.040 174.937 174.900 0.128 0.000 0.982 233 G CA 0.221 45.393 45.100 0.120 0.000 0.641 233 G HN 0.348 nan 8.290 nan 0.000 0.527 234 Q N 0.211 120.131 119.800 0.201 0.000 2.257 234 Q HA 0.609 4.021 4.340 -1.546 0.000 0.262 234 Q C -0.329 175.747 176.000 0.127 0.000 0.997 234 Q CA -0.483 55.428 55.803 0.180 0.000 0.873 234 Q CB 1.393 30.293 28.738 0.270 0.000 1.312 234 Q HN 0.546 nan 8.270 nan 0.000 0.450 235 E N 1.023 121.249 120.200 0.043 0.000 2.121 235 E HA 0.378 3.801 4.350 -1.546 0.000 0.255 235 E C -0.959 175.600 176.600 -0.069 0.000 0.906 235 E CA -0.310 56.077 56.400 -0.022 0.000 0.745 235 E CB 1.445 31.130 29.700 -0.025 0.000 1.155 235 E HN 0.159 nan 8.360 nan 0.000 0.424 236 V N 4.475 124.293 119.914 -0.160 0.000 2.472 236 V HA 0.275 3.467 4.120 -1.546 0.000 0.290 236 V C -2.204 173.767 176.094 -0.205 0.000 1.037 236 V CA -2.435 59.725 62.300 -0.234 0.000 0.908 236 V CB 1.518 33.053 31.823 -0.481 0.000 0.985 236 V HN 0.506 nan 8.190 nan 0.000 0.454 237 P HA 0.140 nan 4.420 nan 0.000 0.263 237 P C -0.502 176.728 177.300 -0.116 0.000 1.195 237 P CA 0.380 63.408 63.100 -0.120 0.000 0.762 237 P CB 0.170 31.802 31.700 -0.113 0.000 0.799 238 I N 2.908 123.444 120.570 -0.057 0.000 2.291 238 I HA 0.335 3.577 4.170 -1.546 0.000 0.290 238 I C 1.025 177.188 176.117 0.076 0.000 1.050 238 I CA 0.094 61.410 61.300 0.026 0.000 1.245 238 I CB 0.838 38.883 38.000 0.075 0.000 1.405 238 I HN 0.368 nan 8.210 nan 0.000 0.478 239 A N 4.854 127.689 122.820 0.024 0.000 2.600 239 A HA 0.595 3.988 4.320 -1.546 0.000 0.252 239 A C 0.633 178.162 177.584 -0.091 0.000 1.200 239 A CA -0.051 51.897 52.037 -0.147 0.000 0.981 239 A CB 0.548 19.463 19.000 -0.142 0.000 1.207 239 A HN 0.679 nan 8.150 nan 0.000 0.577 240 G N -0.470 108.418 108.800 0.147 0.000 2.719 240 G HA2 0.545 3.577 3.960 -1.546 0.000 0.298 240 G HA3 0.545 3.577 3.960 -1.546 0.000 0.298 240 G C -1.689 173.358 174.900 0.246 0.000 1.433 240 G CA -0.374 44.823 45.100 0.162 0.000 1.034 240 G HN 0.423 nan 8.290 nan 0.000 0.517 241 V N 0.778 120.817 119.914 0.209 0.000 2.655 241 V HA 0.853 4.045 4.120 -1.546 0.000 0.301 241 V C -0.146 175.954 176.094 0.011 0.000 1.082 241 V CA -0.164 62.167 62.300 0.051 0.000 0.899 241 V CB 1.326 33.057 31.823 -0.153 0.000 1.014 241 V HN 1.492 nan 8.190 nan 0.000 0.429 242 A N 3.298 126.121 122.820 0.004 0.000 2.606 242 A HA 0.911 4.304 4.320 -1.546 0.000 0.293 242 A C -0.008 177.582 177.584 0.009 0.000 1.082 242 A CA -0.108 51.931 52.037 0.002 0.000 0.685 242 A CB 1.595 20.598 19.000 0.006 0.000 1.284 242 A HN 1.319 nan 8.150 nan 0.000 0.408 243 G N 0.206 109.008 108.800 0.003 0.000 2.554 243 G HA2 0.357 3.390 3.960 -1.546 0.000 0.238 243 G HA3 0.357 3.390 3.960 -1.546 0.000 0.238 243 G C 0.526 175.426 174.900 -0.000 0.000 1.259 243 G CA 0.575 45.669 45.100 -0.011 0.000 0.843 243 G HN 0.922 nan 8.290 nan 0.000 0.582 244 D N 0.828 121.218 120.400 -0.016 0.000 2.116 244 D HA -0.212 3.500 4.640 -1.546 0.000 0.193 244 D C 1.838 178.143 176.300 0.009 0.000 0.998 244 D CA 1.443 55.449 54.000 0.010 0.000 0.836 244 D CB -0.178 40.634 40.800 0.020 0.000 0.951 244 D HN 0.363 nan 8.370 nan 0.000 0.449 245 Q N -0.137 119.624 119.800 -0.066 0.000 2.172 245 Q HA -0.064 3.349 4.340 -1.546 0.000 0.200 245 Q C 2.266 178.304 176.000 0.063 0.000 0.964 245 Q CA 1.091 56.882 55.803 -0.022 0.000 0.855 245 Q CB -0.310 28.337 28.738 -0.151 0.000 0.918 245 Q HN 0.491 nan 8.270 nan 0.000 0.444 246 Q N 0.419 120.260 119.800 0.068 0.000 2.123 246 Q HA 0.015 3.428 4.340 -1.546 0.000 0.199 246 Q C 2.031 178.139 176.000 0.181 0.000 0.966 246 Q CA 1.492 57.380 55.803 0.142 0.000 0.845 246 Q CB -0.353 28.462 28.738 0.128 0.000 0.907 246 Q HN 0.407 nan 8.270 nan 0.000 0.439 247 A N 0.701 123.597 122.820 0.126 0.000 1.902 247 A HA -0.133 3.260 4.320 -1.546 0.000 0.217 247 A C 2.252 179.944 177.584 0.180 0.000 1.181 247 A CA 1.699 53.820 52.037 0.140 0.000 0.623 247 A CB -0.983 18.081 19.000 0.107 0.000 0.818 247 A HN 0.386 nan 8.150 nan 0.000 0.443 248 A N -0.569 122.340 122.820 0.148 0.000 1.902 248 A HA -0.023 3.370 4.320 -1.546 0.000 0.217 248 A C 2.123 179.784 177.584 0.129 0.000 1.181 248 A CA 1.674 53.796 52.037 0.141 0.000 0.623 248 A CB -0.625 18.455 19.000 0.133 0.000 0.818 248 A HN 0.637 nan 8.150 nan 0.000 0.443 249 L N -1.581 119.730 121.223 0.147 0.000 1.989 249 L HA -0.151 3.262 4.340 -1.546 0.000 0.211 249 L C 2.235 179.177 176.870 0.120 0.000 1.071 249 L CA 2.398 57.320 54.840 0.137 0.000 0.749 249 L CB -0.716 41.465 42.059 0.204 0.000 0.890 249 L HN 0.428 nan 8.230 nan 0.000 0.431 250 F N 0.126 120.104 119.950 0.046 0.000 2.134 250 F HA -0.056 3.542 4.527 -1.548 0.000 0.299 250 F C 2.171 177.934 175.800 -0.061 0.000 1.097 250 F CA 1.623 59.627 58.000 0.006 0.000 1.264 250 F CB -0.703 38.247 39.000 -0.084 0.000 1.001 250 F HN 0.151 nan 8.300 nan 0.000 0.479 251 G N -1.027 107.835 108.800 0.104 0.000 2.679 251 G HA2 -0.142 2.891 3.960 -1.546 0.000 0.212 251 G HA3 -0.142 2.891 3.960 -1.546 0.000 0.212 251 G C 1.257 176.124 174.900 -0.054 0.000 1.137 251 G CA 0.194 45.292 45.100 -0.004 0.000 0.787 251 G HN 0.328 nan 8.290 nan 0.000 0.534 252 Q N -0.437 119.301 119.800 -0.105 0.000 2.246 252 Q HA 0.385 3.798 4.340 -1.546 0.000 0.202 252 Q C 1.389 177.090 176.000 -0.497 0.000 0.883 252 Q CA 0.308 56.028 55.803 -0.140 0.000 0.952 252 Q CB 0.522 29.222 28.738 -0.063 0.000 1.078 252 Q HN 0.474 nan 8.270 nan 0.000 0.493 253 A N 0.035 122.397 122.820 -0.763 0.000 2.799 253 A HA -0.218 3.175 4.320 -1.546 0.000 0.287 253 A C 0.454 177.191 177.584 -1.411 0.000 1.484 253 A CA 0.669 51.795 52.037 -1.518 0.000 0.813 253 A CB -2.447 15.955 19.000 -0.996 0.000 1.009 253 A HN 0.465 nan 8.150 nan 0.000 0.545 254 C N 0.294 119.089 119.300 -0.842 0.000 2.484 254 C HA 0.465 3.997 4.460 -1.546 0.000 0.494 254 C C 1.390 176.286 174.990 -0.156 0.000 1.052 254 C CA 0.208 58.981 59.018 -0.408 0.000 1.307 254 C CB -2.252 25.383 27.740 -0.176 0.000 1.464 254 C HN 0.576 nan 8.230 nan 0.000 0.564 255 F N 0.046 119.967 119.950 -0.048 0.000 2.754 255 F HA 0.143 3.743 4.527 -1.546 0.000 0.297 255 F C 1.351 177.199 175.800 0.080 0.000 1.122 255 F CA 0.182 58.218 58.000 0.061 0.000 1.400 255 F CB 0.380 39.348 39.000 -0.053 0.000 1.117 255 F HN 0.371 nan 8.300 nan 0.000 0.587 256 E N 0.484 120.784 120.200 0.166 0.000 2.320 256 E HA 0.242 3.664 4.350 -1.546 0.000 0.264 256 E C -0.624 176.010 176.600 0.055 0.000 0.923 256 E CA -1.151 55.311 56.400 0.103 0.000 0.796 256 E CB 1.236 30.974 29.700 0.064 0.000 1.262 256 E HN -0.010 nan 8.360 nan 0.000 0.428 257 R N 0.149 120.676 120.500 0.044 0.000 2.488 257 R HA 0.100 3.512 4.340 -1.546 0.000 0.317 257 R C 0.828 177.135 176.300 0.011 0.000 0.941 257 R CA 1.619 57.736 56.100 0.028 0.000 1.076 257 R CB -0.620 29.694 30.300 0.023 0.000 0.917 257 R HN 0.795 nan 8.270 nan 0.000 0.407 258 G N 3.141 111.946 108.800 0.009 0.000 2.213 258 G HA2 -0.225 2.807 3.960 -1.546 0.000 0.236 258 G HA3 -0.225 2.807 3.960 -1.546 0.000 0.236 258 G C -0.448 174.441 174.900 -0.019 0.000 0.991 258 G CA 0.098 45.195 45.100 -0.004 0.000 0.629 258 G HN 0.668 nan 8.290 nan 0.000 0.517 259 D N 0.410 120.795 120.400 -0.025 0.000 2.390 259 D HA 0.531 4.244 4.640 -1.546 0.000 0.249 259 D C 0.163 176.438 176.300 -0.040 0.000 1.144 259 D CA 0.427 54.390 54.000 -0.062 0.000 0.880 259 D CB 2.098 42.841 40.800 -0.096 0.000 1.182 259 D HN 0.501 nan 8.370 nan 0.000 0.451 260 V N 1.886 121.768 119.914 -0.054 0.000 3.049 260 V HA 0.719 3.911 4.120 -1.546 0.000 0.309 260 V C -1.613 174.464 176.094 -0.028 0.000 1.148 260 V CA -0.715 61.571 62.300 -0.024 0.000 0.990 260 V CB 2.366 34.182 31.823 -0.013 0.000 1.039 260 V HN 0.719 nan 8.190 nan 0.000 0.430 261 K N 2.795 123.196 120.400 0.002 0.000 2.536 261 K HA 0.665 4.058 4.320 -1.546 0.000 0.269 261 K C -1.337 175.274 176.600 0.017 0.000 0.965 261 K CA -0.672 55.626 56.287 0.020 0.000 0.860 261 K CB 1.552 34.074 32.500 0.036 0.000 1.423 261 K HN 0.564 nan 8.250 nan 0.000 0.438 262 N N -0.387 118.316 118.700 0.005 0.000 2.284 262 N HA 0.504 4.317 4.740 -1.546 0.000 0.300 262 N C -1.582 173.870 175.510 -0.098 0.000 1.047 262 N CA -0.426 52.562 53.050 -0.103 0.000 0.821 262 N CB 2.175 40.508 38.487 -0.257 0.000 1.337 262 N HN 0.658 nan 8.380 nan 0.000 0.482 263 T N 3.055 117.553 114.554 -0.093 0.000 2.779 263 T HA 0.300 3.723 4.350 -1.546 0.000 0.280 263 T C -1.083 173.576 174.700 -0.068 0.000 0.987 263 T CA -0.124 62.001 62.100 0.041 0.000 0.966 263 T CB 0.137 69.109 68.868 0.174 0.000 0.933 263 T HN 0.303 nan 8.240 nan 0.000 0.442 264 Y N 2.249 122.620 120.300 0.118 0.000 2.595 264 Y HA 0.575 4.204 4.550 -1.534 0.000 0.336 264 Y C 0.940 176.925 175.900 0.142 0.000 0.996 264 Y CA -0.633 57.523 58.100 0.093 0.000 1.260 264 Y CB 0.760 39.251 38.460 0.050 0.000 1.108 264 Y HN 0.847 nan 8.280 nan 0.000 0.509 265 G N 0.403 109.381 108.800 0.297 0.000 3.234 265 G HA2 0.145 3.178 3.960 -1.546 0.000 0.159 265 G HA3 0.145 3.178 3.960 -1.546 0.000 0.159 265 G C 0.832 175.925 174.900 0.321 0.000 1.175 265 G CA -0.311 44.974 45.100 0.308 0.000 0.900 265 G HN 0.321 nan 8.290 nan 0.000 0.621 266 T N 0.331 115.118 114.554 0.389 0.000 2.635 266 T HA 0.050 3.473 4.350 -1.546 0.000 0.267 266 T C 1.284 176.252 174.700 0.448 0.000 1.040 266 T CA 1.683 64.037 62.100 0.423 0.000 1.156 266 T CB -0.536 68.655 68.868 0.539 0.000 0.863 266 T HN 0.675 nan 8.240 nan 0.000 0.430 267 G N -0.778 108.370 108.800 0.580 0.000 2.667 267 G HA2 0.585 3.618 3.960 -1.546 0.000 0.310 267 G HA3 0.585 3.618 3.960 -1.546 0.000 0.310 267 G C -0.577 174.222 174.900 -0.170 0.000 1.259 267 G CA -0.387 44.880 45.100 0.277 0.000 1.019 267 G HN 0.441 nan 8.290 nan 0.000 0.496 268 G N -0.944 107.437 108.800 -0.698 0.000 2.487 268 G HA2 0.630 3.662 3.960 -1.546 0.000 0.314 268 G HA3 0.630 3.662 3.960 -1.546 0.000 0.314 268 G C -1.234 173.109 174.900 -0.929 0.000 1.267 268 G CA -0.393 44.353 45.100 -0.590 0.000 0.937 268 G HN 0.317 nan 8.290 nan 0.000 0.481 274 T N 0.238 114.823 114.554 0.052 0.000 3.214 274 T HA 0.500 3.923 4.350 -1.546 0.000 0.264 274 T C 1.025 175.758 174.700 0.055 0.000 1.012 274 T CA 0.710 62.840 62.100 0.050 0.000 0.901 274 T CB -0.294 68.603 68.868 0.049 0.000 1.070 274 T HN 0.997 nan 8.240 nan 0.000 0.561 275 G N 3.041 111.870 108.800 0.048 0.000 2.547 275 G HA2 -0.338 2.695 3.960 -1.546 0.000 0.271 275 G HA3 -0.338 2.695 3.960 -1.546 0.000 0.271 275 G C 0.316 175.259 174.900 0.072 0.000 1.209 275 G CA 0.309 45.437 45.100 0.046 0.000 0.959 275 G HN 0.651 nan 8.290 nan 0.000 0.563 276 D N 0.983 121.429 120.400 0.077 0.000 2.328 276 D HA 0.190 3.902 4.640 -1.546 0.000 0.226 276 D C 0.742 177.142 176.300 0.167 0.000 1.066 276 D CA 0.710 54.783 54.000 0.121 0.000 0.861 276 D CB 0.102 40.939 40.800 0.062 0.000 0.912 276 D HN 0.623 nan 8.370 nan 0.000 0.521 277 K N 0.136 120.585 120.400 0.082 0.000 2.324 277 K HA 0.672 4.064 4.320 -1.546 0.000 0.253 277 K C -0.812 175.631 176.600 -0.261 0.000 0.932 277 K CA -0.964 55.261 56.287 -0.104 0.000 0.799 277 K CB 2.532 34.991 32.500 -0.068 0.000 1.154 277 K HN 0.021 nan 8.250 nan 0.000 0.425 278 A N 2.217 124.657 122.820 -0.634 0.000 2.401 278 A HA 0.417 3.810 4.320 -1.546 0.000 0.259 278 A C -0.310 177.159 177.584 -0.191 0.000 1.103 278 A CA -0.414 51.294 52.037 -0.549 0.000 0.789 278 A CB 0.394 18.960 19.000 -0.723 0.000 1.035 278 A HN 0.417 nan 8.150 nan 0.000 0.491 279 V N 3.175 123.037 119.914 -0.087 0.000 2.513 279 V HA 0.352 3.545 4.120 -1.546 0.000 0.299 279 V C 0.367 176.455 176.094 -0.011 0.000 1.035 279 V CA -0.753 61.526 62.300 -0.036 0.000 0.889 279 V CB 1.617 33.434 31.823 -0.010 0.000 0.988 279 V HN 0.995 nan 8.190 nan 0.000 0.440 280 K N 1.843 122.238 120.400 -0.008 0.000 2.098 280 K HA 0.605 3.998 4.320 -1.546 0.000 0.257 280 K C -0.253 176.356 176.600 0.015 0.000 0.999 280 K CA -0.203 56.087 56.287 0.004 0.000 0.924 280 K CB 1.331 33.827 32.500 -0.007 0.000 1.028 280 K HN 0.754 nan 8.250 nan 0.000 0.466 281 S N 1.446 117.160 115.700 0.025 0.000 2.521 281 S HA 0.246 3.788 4.470 -1.546 0.000 0.295 281 S C -0.208 174.414 174.600 0.035 0.000 1.098 281 S CA -0.656 57.566 58.200 0.037 0.000 0.999 281 S CB 1.356 64.593 63.200 0.062 0.000 1.034 281 S HN 0.667 nan 8.310 nan 0.000 0.483 282 E N 2.461 122.683 120.200 0.036 0.000 2.476 282 E HA 0.196 3.619 4.350 -1.546 0.000 0.199 282 E C 0.378 177.008 176.600 0.051 0.000 1.021 282 E CA 0.192 56.614 56.400 0.036 0.000 0.907 282 E CB 0.586 30.302 29.700 0.026 0.000 0.974 282 E HN 0.519 nan 8.360 nan 0.000 0.489 283 S N -0.211 115.525 115.700 0.061 0.000 2.574 283 S HA 0.319 3.862 4.470 -1.546 0.000 0.242 283 S C 1.053 175.715 174.600 0.104 0.000 0.982 283 S CA 0.327 58.565 58.200 0.064 0.000 0.977 283 S CB 0.876 64.103 63.200 0.045 0.000 0.814 283 S HN 0.375 nan 8.310 nan 0.000 0.464 284 G N 1.614 110.512 108.800 0.163 0.000 2.132 284 G HA2 -0.199 2.833 3.960 -1.546 0.000 0.228 284 G HA3 -0.199 2.833 3.960 -1.546 0.000 0.228 284 G C -0.137 175.030 174.900 0.445 0.000 1.000 284 G CA -0.324 44.981 45.100 0.342 0.000 0.693 284 G HN 0.449 nan 8.290 nan 0.000 0.515 285 L N -0.131 121.245 121.223 0.255 0.000 2.375 285 L HA 0.690 4.102 4.340 -1.546 0.000 0.268 285 L C 1.056 178.053 176.870 0.211 0.000 1.058 285 L CA -1.161 53.831 54.840 0.254 0.000 0.803 285 L CB 1.145 43.298 42.059 0.157 0.000 1.212 285 L HN 0.020 nan 8.230 nan 0.000 0.451 286 L N 0.621 121.990 121.223 0.243 0.000 2.357 286 L HA 0.397 3.810 4.340 -1.546 0.000 0.273 286 L C -0.081 176.855 176.870 0.110 0.000 1.080 286 L CA -0.424 54.511 54.840 0.159 0.000 0.803 286 L CB 1.355 43.557 42.059 0.238 0.000 1.174 286 L HN 0.545 nan 8.230 nan 0.000 0.443 287 T N 0.989 115.577 114.554 0.056 0.000 2.744 287 T HA 0.428 3.851 4.350 -1.546 0.000 0.291 287 T C -0.020 174.713 174.700 0.054 0.000 0.957 287 T CA -0.212 61.919 62.100 0.052 0.000 1.002 287 T CB 1.404 70.287 68.868 0.024 0.000 0.919 287 T HN 0.660 nan 8.240 nan 0.000 0.468 288 T N 2.334 116.945 114.554 0.096 0.000 2.812 288 T HA 0.655 4.077 4.350 -1.546 0.000 0.294 288 T C -1.038 173.725 174.700 0.104 0.000 1.159 288 T CA -0.691 61.460 62.100 0.085 0.000 1.008 288 T CB 0.860 69.771 68.868 0.072 0.000 1.289 288 T HN 0.446 nan 8.240 nan 0.000 0.514 289 I N 2.584 123.161 120.570 0.011 0.000 2.342 289 I HA 0.420 3.663 4.170 -1.546 0.000 0.291 289 I C 1.357 177.408 176.117 -0.110 0.000 1.010 289 I CA -0.579 60.625 61.300 -0.160 0.000 1.308 289 I CB 1.645 39.520 38.000 -0.208 0.000 1.400 289 I HN 0.842 nan 8.210 nan 0.000 0.488 290 A N 7.027 129.730 122.820 -0.195 0.000 1.854 290 A HA 0.052 3.444 4.320 -1.546 0.000 0.214 290 A C 0.265 177.875 177.584 0.043 0.000 1.192 290 A CA 1.453 53.430 52.037 -0.101 0.000 0.611 290 A CB -0.044 18.761 19.000 -0.326 0.000 0.832 290 A HN 0.782 nan 8.150 nan 0.000 0.442 291 Y N -5.178 115.103 120.300 -0.032 0.000 2.765 291 Y HA 0.537 4.159 4.550 -1.547 0.000 0.350 291 Y C -0.385 175.506 175.900 -0.015 0.000 1.196 291 Y CA -1.181 56.909 58.100 -0.016 0.000 1.119 291 Y CB 0.282 38.723 38.460 -0.032 0.000 1.368 291 Y HN 0.294 nan 8.280 nan 0.000 0.463 292 G N 1.653 110.631 108.800 0.297 0.000 2.502 292 G HA2 0.678 3.711 3.960 -1.546 0.000 0.311 292 G HA3 0.678 3.711 3.960 -1.546 0.000 0.311 292 G C -1.793 173.250 174.900 0.237 0.000 1.270 292 G CA -0.853 44.413 45.100 0.277 0.000 0.948 292 G HN 0.959 nan 8.290 nan 0.000 0.487 293 I N 1.273 121.967 120.570 0.206 0.000 2.908 293 I HA 0.302 3.544 4.170 -1.546 0.000 0.300 293 I C -0.886 175.294 176.117 0.106 0.000 1.385 293 I CA -0.701 60.675 61.300 0.126 0.000 1.004 293 I CB 2.251 40.300 38.000 0.081 0.000 1.309 293 I HN 0.574 nan 8.210 nan 0.000 0.449 294 D N 4.888 125.329 120.400 0.067 0.000 2.811 294 D HA -0.193 3.519 4.640 -1.546 0.000 0.231 294 D C 0.882 177.212 176.300 0.049 0.000 1.157 294 D CA 1.552 55.583 54.000 0.051 0.000 0.716 294 D CB -1.348 39.480 40.800 0.046 0.000 1.077 294 D HN 1.259 nan 8.370 nan 0.000 0.428 295 G N -0.542 108.293 108.800 0.058 0.000 2.155 295 G HA2 -0.365 2.668 3.960 -1.546 0.000 0.257 295 G HA3 -0.365 2.668 3.960 -1.546 0.000 0.257 295 G C 0.238 175.159 174.900 0.034 0.000 0.983 295 G CA 1.016 46.146 45.100 0.051 0.000 0.676 295 G HN 0.515 nan 8.290 nan 0.000 0.528 296 K N -0.934 119.486 120.400 0.033 0.000 2.340 296 K HA 0.732 4.124 4.320 -1.546 0.000 0.244 296 K C -0.685 175.881 176.600 -0.057 0.000 0.973 296 K CA -0.956 55.329 56.287 -0.004 0.000 0.828 296 K CB 3.011 35.524 32.500 0.022 0.000 1.226 296 K HN 0.032 nan 8.250 nan 0.000 0.437 297 V N 2.219 122.038 119.914 -0.158 0.000 2.444 297 V HA 0.262 3.454 4.120 -1.546 0.000 0.294 297 V C -0.600 175.263 176.094 -0.385 0.000 1.022 297 V CA -0.940 61.153 62.300 -0.346 0.000 0.850 297 V CB 1.469 32.959 31.823 -0.555 0.000 0.992 297 V HN 0.721 nan 8.190 nan 0.000 0.426 298 N N 3.180 121.576 118.700 -0.507 0.000 2.487 298 N HA 0.561 4.373 4.740 -1.546 0.000 0.292 298 N C -1.423 173.749 175.510 -0.564 0.000 1.108 298 N CA -0.379 52.379 53.050 -0.486 0.000 0.956 298 N CB 2.072 40.141 38.487 -0.697 0.000 1.176 298 N HN 0.503 nan 8.380 nan 0.000 0.484 299 Y N 0.164 120.346 120.300 -0.197 0.000 2.631 299 Y HA 0.661 4.281 4.550 -1.550 0.000 0.328 299 Y C 0.238 176.084 175.900 -0.091 0.000 1.118 299 Y CA -0.729 57.291 58.100 -0.133 0.000 1.206 299 Y CB 1.580 39.981 38.460 -0.099 0.000 1.337 299 Y HN 0.478 nan 8.280 nan 0.000 0.515 300 A N 0.775 123.675 122.820 0.133 0.000 2.556 300 A HA 0.781 4.174 4.320 -1.546 0.000 0.294 300 A C -1.974 175.671 177.584 0.101 0.000 1.091 300 A CA -0.769 51.324 52.037 0.093 0.000 0.704 300 A CB 1.208 20.254 19.000 0.078 0.000 1.300 300 A HN 0.679 nan 8.150 nan 0.000 0.406 301 L N 1.016 122.292 121.223 0.088 0.000 2.295 301 L HA 0.612 4.025 4.340 -1.546 0.000 0.285 301 L C 0.127 177.067 176.870 0.116 0.000 1.035 301 L CA -0.218 54.679 54.840 0.094 0.000 0.806 301 L CB 1.679 43.782 42.059 0.073 0.000 1.214 301 L HN 0.886 nan 8.230 nan 0.000 0.426 302 E N 1.625 121.918 120.200 0.155 0.000 2.248 302 E HA 0.584 4.007 4.350 -1.546 0.000 0.267 302 E C -0.865 175.878 176.600 0.240 0.000 0.877 302 E CA -0.753 55.768 56.400 0.201 0.000 0.759 302 E CB 2.141 31.992 29.700 0.251 0.000 1.182 302 E HN 0.666 nan 8.360 nan 0.000 0.418 303 G N 1.803 110.724 108.800 0.201 0.000 2.422 303 G HA2 0.439 3.471 3.960 -1.546 0.000 0.317 303 G HA3 0.439 3.471 3.960 -1.546 0.000 0.317 303 G C -0.957 174.034 174.900 0.152 0.000 1.210 303 G CA -0.454 44.739 45.100 0.156 0.000 0.930 303 G HN 0.338 nan 8.290 nan 0.000 0.468 304 S N 1.164 116.954 115.700 0.149 0.000 2.498 304 S HA 0.544 4.087 4.470 -1.546 0.000 0.317 304 S C -0.601 173.764 174.600 -0.392 0.000 1.090 304 S CA -0.361 57.883 58.200 0.073 0.000 1.089 304 S CB 1.309 64.817 63.200 0.514 0.000 0.997 304 S HN 0.457 nan 8.310 nan 0.000 0.470 305 I N 3.463 123.698 120.570 -0.558 0.000 2.382 305 I HA 0.350 3.593 4.170 -1.546 0.000 0.286 305 I C 0.123 176.058 176.117 -0.304 0.000 1.002 305 I CA -0.417 60.579 61.300 -0.507 0.000 1.135 305 I CB 0.860 38.637 38.000 -0.372 0.000 1.288 305 I HN 0.511 nan 8.210 nan 0.000 0.448 306 F N 4.659 124.528 119.950 -0.135 0.000 2.206 306 F HA 0.070 3.835 4.527 -1.270 0.000 0.298 306 F C 1.053 176.919 175.800 0.110 0.000 1.090 306 F CA 0.429 58.491 58.000 0.103 0.000 1.323 306 F CB -0.345 38.652 39.000 -0.005 0.000 1.028 306 F HN 0.073 nan 8.300 nan 0.000 0.492 307 V N -0.206 119.789 119.914 0.135 0.000 2.409 307 V HA 0.401 3.594 4.120 -1.546 0.000 0.290 307 V C 0.206 176.302 176.094 0.003 0.000 1.017 307 V CA -0.206 62.119 62.300 0.041 0.000 0.841 307 V CB 1.212 32.928 31.823 -0.177 0.000 1.003 307 V HN 0.162 nan 8.190 nan 0.000 0.426 308 S N 4.255 120.001 115.700 0.077 0.000 3.248 308 S HA 0.283 3.826 4.470 -1.546 0.000 0.173 308 S C 1.899 176.581 174.600 0.137 0.000 0.749 308 S CA 0.883 59.135 58.200 0.086 0.000 0.898 308 S CB 0.148 63.394 63.200 0.078 0.000 1.027 308 S HN 0.797 nan 8.310 nan 0.000 0.781 309 G N 1.168 110.080 108.800 0.187 0.000 2.462 309 G HA2 -0.166 2.866 3.960 -1.546 0.000 0.220 309 G HA3 -0.166 2.866 3.960 -1.546 0.000 0.220 309 G C 1.669 176.687 174.900 0.196 0.000 1.121 309 G CA 1.442 46.654 45.100 0.186 0.000 0.758 309 G HN 0.629 nan 8.290 nan 0.000 0.559 310 S N 0.834 116.664 115.700 0.217 0.000 2.419 310 S HA -0.004 3.539 4.470 -1.546 0.000 0.235 310 S C 2.670 177.455 174.600 0.308 0.000 1.019 310 S CA 1.621 59.972 58.200 0.252 0.000 0.982 310 S CB -0.384 62.969 63.200 0.256 0.000 0.789 310 S HN 0.581 nan 8.310 nan 0.000 0.490 311 A N 1.467 124.430 122.820 0.238 0.000 1.902 311 A HA 0.023 3.416 4.320 -1.546 0.000 0.217 311 A C 2.107 179.922 177.584 0.384 0.000 1.181 311 A CA 1.550 53.763 52.037 0.295 0.000 0.623 311 A CB -0.709 18.357 19.000 0.109 0.000 0.818 311 A HN 0.671 nan 8.150 nan 0.000 0.443 312 I N -0.759 119.961 120.570 0.251 0.000 2.353 312 I HA -0.218 3.024 4.170 -1.546 0.000 0.248 312 I C 2.491 178.723 176.117 0.191 0.000 1.119 312 I CA 0.913 62.330 61.300 0.196 0.000 1.417 312 I CB -0.463 37.618 38.000 0.134 0.000 1.078 312 I HN 0.298 nan 8.210 nan 0.000 0.421 313 Q N -0.056 119.872 119.800 0.215 0.000 2.170 313 Q HA -0.242 3.170 4.340 -1.546 0.000 0.203 313 Q C 1.886 178.022 176.000 0.225 0.000 0.976 313 Q CA 1.539 57.455 55.803 0.187 0.000 0.858 313 Q CB -0.458 28.390 28.738 0.184 0.000 0.907 313 Q HN 0.673 nan 8.270 nan 0.000 0.433 314 W N 1.464 122.840 121.300 0.127 0.000 2.388 314 W HA -0.102 3.637 4.660 -1.536 0.000 0.294 314 W C 1.616 178.178 176.519 0.071 0.000 1.212 314 W CA 0.937 58.343 57.345 0.101 0.000 1.271 314 W CB -0.365 29.219 29.460 0.206 0.000 1.126 314 W HN 0.041 nan 8.180 nan 0.000 0.535 315 L N 0.492 121.713 121.223 -0.004 0.000 2.127 315 L HA -0.216 3.197 4.340 -1.546 0.000 0.211 315 L C 2.793 179.530 176.870 -0.222 0.000 1.089 315 L CA 1.847 56.556 54.840 -0.218 0.000 0.757 315 L CB -0.897 41.140 42.059 -0.037 0.000 0.899 315 L HN 0.048 nan 8.230 nan 0.000 0.434 316 R N 0.498 120.938 120.500 -0.100 0.000 2.057 316 R HA -0.135 3.278 4.340 -1.546 0.000 0.224 316 R C 1.783 178.025 176.300 -0.096 0.000 1.136 316 R CA 1.835 57.887 56.100 -0.080 0.000 0.968 316 R CB 0.002 30.294 30.300 -0.013 0.000 0.863 316 R HN 0.469 nan 8.270 nan 0.000 0.433 317 D N -1.596 118.765 120.400 -0.065 0.000 2.392 317 D HA 0.060 3.772 4.640 -1.546 0.000 0.206 317 D C 1.444 177.692 176.300 -0.087 0.000 1.046 317 D CA 0.630 54.599 54.000 -0.051 0.000 0.865 317 D CB 0.082 40.888 40.800 0.010 0.000 0.969 317 D HN 0.312 nan 8.370 nan 0.000 0.509 318 G N 0.873 109.557 108.800 -0.194 0.000 2.615 318 G HA2 0.060 3.092 3.960 -1.546 0.000 0.213 318 G HA3 0.060 3.092 3.960 -1.546 0.000 0.213 318 G C 1.478 176.142 174.900 -0.392 0.000 1.215 318 G CA -0.024 44.910 45.100 -0.277 0.000 0.843 318 G HN 0.227 nan 8.290 nan 0.000 0.571 319 L N 0.164 120.990 121.223 -0.661 0.000 2.492 319 L HA 0.246 3.658 4.340 -1.546 0.000 0.223 319 L C 0.960 177.615 176.870 -0.357 0.000 1.132 319 L CA -0.030 54.492 54.840 -0.530 0.000 0.850 319 L CB -0.322 41.306 42.059 -0.719 0.000 0.966 319 L HN 0.235 nan 8.230 nan 0.000 0.454 323 N N 1.861 120.562 118.700 0.002 0.000 2.300 323 N HA 0.030 3.842 4.740 -1.546 0.000 0.179 323 N C 0.385 175.899 175.510 0.008 0.000 1.016 323 N CA 1.385 54.435 53.050 0.001 0.000 0.876 323 N CB 0.094 38.589 38.487 0.013 0.000 0.979 323 N HN 0.846 nan 8.380 nan 0.000 0.432 324 S N -2.111 113.602 115.700 0.023 0.000 2.579 324 S HA 0.725 4.268 4.470 -1.546 0.000 0.272 324 S C 0.644 175.268 174.600 0.040 0.000 1.141 324 S CA -0.360 57.857 58.200 0.029 0.000 0.843 324 S CB 1.770 64.988 63.200 0.030 0.000 1.122 324 S HN 0.059 nan 8.310 nan 0.000 0.468 325 A N 1.061 123.909 122.820 0.047 0.000 1.908 325 A HA 0.147 3.540 4.320 -1.546 0.000 0.218 325 A C -0.680 176.939 177.584 0.057 0.000 1.181 325 A CA 1.820 53.892 52.037 0.058 0.000 0.627 325 A CB -2.161 16.880 19.000 0.070 0.000 0.818 325 A HN 0.696 nan 8.150 nan 0.000 0.445 326 P HA -0.154 nan 4.420 nan 0.000 0.219 326 P C 1.198 178.529 177.300 0.051 0.000 1.146 326 P CA 1.238 64.366 63.100 0.048 0.000 0.808 326 P CB -0.126 31.597 31.700 0.039 0.000 0.779 327 Q N -0.560 119.278 119.800 0.063 0.000 2.437 327 Q HA -0.081 3.331 4.340 -1.546 0.000 0.210 327 Q C 2.097 178.196 176.000 0.165 0.000 0.972 327 Q CA 1.307 57.163 55.803 0.090 0.000 0.903 327 Q CB -0.467 28.334 28.738 0.104 0.000 0.967 327 Q HN 0.371 nan 8.270 nan 0.000 0.486 328 S N 0.400 116.176 115.700 0.126 0.000 2.399 328 S HA -0.241 3.302 4.470 -1.546 0.000 0.231 328 S C 1.774 176.418 174.600 0.074 0.000 1.022 328 S CA 1.242 59.516 58.200 0.124 0.000 0.983 328 S CB -0.123 63.115 63.200 0.062 0.000 0.803 328 S HN 0.428 nan 8.310 nan 0.000 0.480 329 E N 1.678 121.897 120.200 0.032 0.000 2.077 329 E HA -0.173 3.250 4.350 -1.546 0.000 0.193 329 E C 2.167 178.715 176.600 -0.087 0.000 0.989 329 E CA 1.453 57.834 56.400 -0.032 0.000 0.800 329 E CB -0.276 29.440 29.700 0.026 0.000 0.746 329 E HN 0.816 nan 8.360 nan 0.000 0.452 330 S N -0.541 115.118 115.700 -0.069 0.000 2.368 330 S HA -0.202 3.340 4.470 -1.546 0.000 0.225 330 S C 1.901 176.365 174.600 -0.227 0.000 1.030 330 S CA 1.115 59.217 58.200 -0.163 0.000 0.999 330 S CB -0.770 62.300 63.200 -0.217 0.000 0.844 330 S HN 0.381 nan 8.310 nan 0.000 0.459 331 Y N 2.228 122.448 120.300 -0.132 0.000 2.200 331 Y HA 0.130 3.753 4.550 -1.545 0.000 0.290 331 Y C 3.054 178.819 175.900 -0.225 0.000 1.137 331 Y CA 0.803 58.812 58.100 -0.152 0.000 1.163 331 Y CB -0.820 37.567 38.460 -0.121 0.000 0.988 331 Y HN 0.392 nan 8.280 nan 0.000 0.518 332 A N -0.356 122.384 122.820 -0.132 0.000 1.972 332 A HA -0.181 3.212 4.320 -1.546 0.000 0.219 332 A C 2.149 179.428 177.584 -0.508 0.000 1.169 332 A CA 2.110 53.901 52.037 -0.410 0.000 0.635 332 A CB -1.165 17.411 19.000 -0.707 0.000 0.810 332 A HN 0.496 nan 8.150 nan 0.000 0.446 333 T N -3.625 110.704 114.554 -0.376 0.000 3.081 333 T HA 0.116 3.538 4.350 -1.546 0.000 0.250 333 T C 1.597 176.214 174.700 -0.138 0.000 1.100 333 T CA 0.603 62.558 62.100 -0.240 0.000 1.038 333 T CB -0.120 68.668 68.868 -0.135 0.000 0.962 333 T HN 0.471 nan 8.240 nan 0.000 0.516 334 R N 1.512 121.919 120.500 -0.154 0.000 2.276 334 R HA 0.146 3.558 4.340 -1.546 0.000 0.203 334 R C 0.463 176.699 176.300 -0.107 0.000 1.017 334 R CA 0.459 56.484 56.100 -0.124 0.000 1.010 334 R CB -0.104 30.109 30.300 -0.146 0.000 0.900 334 R HN 0.514 nan 8.270 nan 0.000 0.469 335 V N -2.880 116.956 119.914 -0.129 0.000 3.046 335 V HA 0.389 3.581 4.120 -1.546 0.000 0.316 335 V C -0.334 175.748 176.094 -0.021 0.000 1.104 335 V CA -0.949 61.298 62.300 -0.088 0.000 1.006 335 V CB 2.113 33.813 31.823 -0.205 0.000 1.058 335 V HN -0.114 nan 8.190 nan 0.000 0.440 336 D N 0.720 121.146 120.400 0.044 0.000 2.349 336 D HA 0.312 4.025 4.640 -1.546 0.000 0.214 336 D C 0.573 176.944 176.300 0.119 0.000 1.063 336 D CA 0.936 54.984 54.000 0.081 0.000 0.847 336 D CB 1.115 41.962 40.800 0.078 0.000 0.933 336 D HN 0.664 nan 8.370 nan 0.000 0.513 337 S N -1.293 114.483 115.700 0.127 0.000 2.587 337 S HA 0.202 3.745 4.470 -1.546 0.000 0.269 337 S C 0.643 175.353 174.600 0.183 0.000 1.154 337 S CA -0.322 57.967 58.200 0.147 0.000 0.824 337 S CB 1.184 64.462 63.200 0.130 0.000 1.118 337 S HN 0.002 nan 8.310 nan 0.000 0.462 338 T N -0.029 114.600 114.554 0.125 0.000 3.113 338 T HA 0.218 3.640 4.350 -1.546 0.000 0.256 338 T C -0.036 174.700 174.700 0.060 0.000 1.131 338 T CA 0.950 63.120 62.100 0.118 0.000 1.074 338 T CB -0.429 68.424 68.868 -0.024 0.000 0.944 338 T HN 0.770 nan 8.240 nan 0.000 0.516 339 E N 0.632 120.852 120.200 0.034 0.000 2.389 339 E HA -0.227 3.195 4.350 -1.546 0.000 0.243 339 E C 1.073 177.650 176.600 -0.039 0.000 1.154 339 E CA 0.913 57.295 56.400 -0.030 0.000 0.723 339 E CB -2.149 27.467 29.700 -0.140 0.000 1.261 339 E HN 1.027 nan 8.360 nan 0.000 0.390 340 G N -2.040 106.738 108.800 -0.037 0.000 2.213 340 G HA2 -0.334 2.699 3.960 -1.546 0.000 0.236 340 G HA3 -0.334 2.699 3.960 -1.546 0.000 0.236 340 G C 0.397 175.265 174.900 -0.052 0.000 0.991 340 G CA -0.029 45.065 45.100 -0.011 0.000 0.629 340 G HN 0.371 nan 8.290 nan 0.000 0.517 341 V N 1.238 121.088 119.914 -0.106 0.000 2.572 341 V HA 0.534 3.727 4.120 -1.546 0.000 0.291 341 V C 0.121 176.084 176.094 -0.218 0.000 1.039 341 V CA 0.079 62.339 62.300 -0.067 0.000 1.055 341 V CB 0.589 32.398 31.823 -0.023 0.000 0.969 341 V HN 0.262 nan 8.190 nan 0.000 0.482 342 Y N 2.544 122.926 120.300 0.136 0.000 2.462 342 Y HA 0.662 4.285 4.550 -1.546 0.000 0.346 342 Y C -0.113 175.871 175.900 0.140 0.000 0.976 342 Y CA -0.880 57.335 58.100 0.192 0.000 1.044 342 Y CB 2.277 40.853 38.460 0.192 0.000 1.230 342 Y HN 0.310 nan 8.280 nan 0.000 0.455 343 V N 3.668 123.771 119.914 0.315 0.000 2.444 343 V HA 0.417 3.609 4.120 -1.546 0.000 0.294 343 V C -0.929 175.331 176.094 0.277 0.000 1.022 343 V CA -0.895 61.494 62.300 0.148 0.000 0.850 343 V CB 1.688 33.513 31.823 0.002 0.000 0.992 343 V HN 0.525 nan 8.190 nan 0.000 0.426 344 V N 7.704 127.690 119.914 0.119 0.000 2.275 344 V HA 0.334 3.527 4.120 -1.546 0.000 0.272 344 V C -1.957 174.072 176.094 -0.109 0.000 1.028 344 V CA -1.316 61.005 62.300 0.035 0.000 0.810 344 V CB 1.709 33.443 31.823 -0.147 0.000 1.043 344 V HN 0.772 nan 8.190 nan 0.000 0.453 345 P HA 0.243 nan 4.420 nan 0.000 0.212 345 P C 0.388 177.279 177.300 -0.681 0.000 1.816 345 P CA -0.172 62.525 63.100 -0.672 0.000 0.944 345 P CB 0.670 31.946 31.700 -0.708 0.000 1.896 346 A N 0.396 123.014 122.820 -0.337 0.000 2.604 346 A HA 0.146 3.538 4.320 -1.546 0.000 0.248 346 A C 1.219 178.786 177.584 -0.029 0.000 1.466 346 A CA -0.471 51.477 52.037 -0.148 0.000 1.222 346 A CB -1.780 17.170 19.000 -0.083 0.000 0.945 346 A HN 0.282 nan 8.150 nan 0.000 0.600 347 F N -0.380 119.500 119.950 -0.118 0.000 2.250 347 F HA -0.165 3.441 4.527 -1.536 0.000 0.301 347 F C 1.552 177.290 175.800 -0.105 0.000 1.077 347 F CA 1.142 59.034 58.000 -0.179 0.000 1.348 347 F CB 0.186 39.015 39.000 -0.285 0.000 1.040 347 F HN 0.342 nan 8.300 nan 0.000 0.509 348 V N -2.488 117.506 119.914 0.133 0.000 2.841 348 V HA 0.754 3.947 4.120 -1.546 0.000 0.363 348 V C 0.293 176.489 176.094 0.171 0.000 1.330 348 V CA -0.223 62.119 62.300 0.071 0.000 1.207 348 V CB -0.252 31.518 31.823 -0.088 0.000 1.318 348 V HN 0.391 nan 8.190 nan 0.000 0.603 349 G N 0.979 109.887 108.800 0.180 0.000 2.698 349 G HA2 -0.116 2.916 3.960 -1.546 0.000 0.225 349 G HA3 -0.116 2.916 3.960 -1.546 0.000 0.225 349 G C -0.962 174.044 174.900 0.176 0.000 1.345 349 G CA -0.234 44.981 45.100 0.192 0.000 0.871 349 G HN 0.697 nan 8.290 nan 0.000 0.540 350 L N 0.950 122.198 121.223 0.041 0.000 2.346 350 L HA 0.708 4.121 4.340 -1.546 0.000 0.276 350 L C 1.363 177.867 176.870 -0.610 0.000 1.006 350 L CA -0.188 54.516 54.840 -0.227 0.000 0.817 350 L CB 1.695 43.684 42.059 -0.117 0.000 1.272 350 L HN 1.079 nan 8.230 nan 0.000 0.421 351 G N 0.946 108.949 108.800 -1.328 0.000 3.182 351 G HA2 0.189 3.221 3.960 -1.546 0.000 0.167 351 G HA3 0.189 3.221 3.960 -1.546 0.000 0.167 351 G C -0.207 173.632 174.900 -1.768 0.000 1.537 351 G CA -0.251 43.591 45.100 -2.097 0.000 1.046 351 G HN 0.444 nan 8.290 nan 0.000 0.580 352 T N 2.672 116.429 114.554 -1.328 0.000 2.908 352 T HA 0.256 3.678 4.350 -1.546 0.000 0.301 352 T C -1.429 172.940 174.700 -0.551 0.000 1.019 352 T CA -0.022 61.689 62.100 -0.648 0.000 1.152 352 T CB 1.555 70.330 68.868 -0.155 0.000 0.966 352 T HN 0.311 nan 8.240 nan 0.000 0.540 353 P HA 0.144 nan 4.420 nan 0.000 0.267 353 P C 0.368 177.486 177.300 -0.304 0.000 1.289 353 P CA 0.137 63.025 63.100 -0.353 0.000 0.866 353 P CB 0.216 31.719 31.700 -0.328 0.000 1.309 354 Y N -1.228 118.964 120.300 -0.181 0.000 2.184 354 Y HA 0.022 3.643 4.550 -1.549 0.000 0.290 354 Y C 0.741 176.677 175.900 0.061 0.000 1.129 354 Y CA 0.438 58.494 58.100 -0.073 0.000 1.144 354 Y CB -1.322 37.056 38.460 -0.137 0.000 0.995 354 Y HN -0.133 nan 8.280 nan 0.000 0.513 355 W N 1.397 122.786 121.300 0.148 0.000 6.199 355 W HA -0.220 4.331 4.660 -0.182 0.000 0.416 355 W C -0.521 176.089 176.519 0.151 0.000 1.636 355 W CA 0.513 57.943 57.345 0.141 0.000 1.040 355 W CB -1.098 28.449 29.460 0.144 0.000 2.854 355 W HN 0.089 nan 8.180 nan 0.000 1.467 356 D N 0.235 120.778 120.400 0.238 0.000 2.462 356 D HA 0.287 3.999 4.640 -1.546 0.000 0.249 356 D C 1.101 177.509 176.300 0.180 0.000 1.117 356 D CA 0.319 54.428 54.000 0.181 0.000 0.900 356 D CB 0.736 41.594 40.800 0.096 0.000 1.039 356 D HN 0.006 nan 8.370 nan 0.000 0.516 357 S N 2.389 118.220 115.700 0.217 0.000 2.515 357 S HA -0.065 3.477 4.470 -1.546 0.000 0.231 357 S C 1.128 175.813 174.600 0.141 0.000 0.987 357 S CA 0.428 58.753 58.200 0.207 0.000 0.936 357 S CB 0.090 63.413 63.200 0.204 0.000 0.766 357 S HN 0.319 nan 8.310 nan 0.000 0.528 358 E N 1.440 121.708 120.200 0.115 0.000 2.447 358 E HA 0.460 3.882 4.350 -1.546 0.000 0.195 358 E C 0.806 177.456 176.600 0.083 0.000 1.028 358 E CA 0.396 56.849 56.400 0.089 0.000 0.876 358 E CB 0.197 29.935 29.700 0.063 0.000 0.885 358 E HN 0.676 nan 8.360 nan 0.000 0.500 359 A N 1.238 124.105 122.820 0.079 0.000 2.425 359 A HA 0.388 3.780 4.320 -1.546 0.000 0.242 359 A C 0.270 177.909 177.584 0.091 0.000 1.077 359 A CA -0.070 52.009 52.037 0.071 0.000 0.781 359 A CB 0.425 19.431 19.000 0.010 0.000 1.020 359 A HN -0.051 nan 8.150 nan 0.000 0.494 360 R N 0.141 120.709 120.500 0.114 0.000 2.930 360 R HA 0.556 3.969 4.340 -1.546 0.000 0.257 360 R C 0.402 176.735 176.300 0.055 0.000 1.107 360 R CA -0.211 55.953 56.100 0.106 0.000 0.999 360 R CB 1.065 31.450 30.300 0.143 0.000 1.209 360 R HN 0.914 nan 8.270 nan 0.000 0.486 361 G N -0.216 108.627 108.800 0.072 0.000 2.491 361 G HA2 0.472 3.504 3.960 -1.546 0.000 0.242 361 G HA3 0.472 3.504 3.960 -1.546 0.000 0.242 361 G C -0.802 174.050 174.900 -0.080 0.000 1.266 361 G CA 0.194 45.300 45.100 0.011 0.000 0.844 361 G HN 0.584 nan 8.290 nan 0.000 0.571 362 A N 0.956 123.697 122.820 -0.132 0.000 2.606 362 A HA 0.783 4.175 4.320 -1.546 0.000 0.293 362 A C -0.946 176.412 177.584 -0.378 0.000 1.082 362 A CA -0.656 51.199 52.037 -0.303 0.000 0.685 362 A CB 1.309 20.115 19.000 -0.323 0.000 1.284 362 A HN 0.709 nan 8.150 nan 0.000 0.408 363 I N 0.330 120.495 120.570 -0.675 0.000 2.582 363 I HA 0.645 3.888 4.170 -1.546 0.000 0.292 363 I C -1.361 174.243 176.117 -0.854 0.000 1.066 363 I CA -0.312 60.680 61.300 -0.514 0.000 1.053 363 I CB 2.033 39.871 38.000 -0.270 0.000 1.241 363 I HN 0.612 nan 8.210 nan 0.000 0.421 364 F N 1.061 121.008 119.950 -0.004 0.000 2.640 364 F HA 0.649 4.246 4.527 -1.550 0.000 0.324 364 F C 1.015 176.849 175.800 0.056 0.000 1.077 364 F CA -0.706 57.304 58.000 0.018 0.000 0.965 364 F CB 1.713 40.716 39.000 0.006 0.000 1.351 364 F HN 0.620 nan 8.300 nan 0.000 0.487 365 G N 1.115 110.070 108.800 0.258 0.000 2.176 365 G HA2 -0.269 2.763 3.960 -1.546 0.000 0.252 365 G HA3 -0.269 2.763 3.960 -1.546 0.000 0.252 365 G C -0.447 174.501 174.900 0.079 0.000 1.024 365 G CA -0.302 44.892 45.100 0.158 0.000 0.755 365 G HN 0.498 nan 8.290 nan 0.000 0.507 366 L N 1.235 122.496 121.223 0.062 0.000 2.380 366 L HA 0.594 4.006 4.340 -1.546 0.000 0.273 366 L C 1.193 178.078 176.870 0.025 0.000 1.138 366 L CA 0.364 55.229 54.840 0.041 0.000 0.832 366 L CB 1.014 43.101 42.059 0.046 0.000 1.124 366 L HN 0.444 nan 8.230 nan 0.000 0.454 367 T N -1.153 113.406 114.554 0.008 0.000 2.864 367 T HA 0.364 3.787 4.350 -1.546 0.000 0.289 367 T C 0.611 175.310 174.700 -0.003 0.000 1.082 367 T CA -0.933 61.166 62.100 -0.002 0.000 1.009 367 T CB 1.861 70.719 68.868 -0.017 0.000 1.234 367 T HN 0.409 nan 8.240 nan 0.000 0.526 368 R N 0.472 120.970 120.500 -0.003 0.000 2.152 368 R HA 0.166 3.579 4.340 -1.546 0.000 0.232 368 R C 2.100 178.400 176.300 -0.001 0.000 1.117 368 R CA 1.802 57.902 56.100 0.001 0.000 0.981 368 R CB -1.078 29.223 30.300 0.001 0.000 0.870 368 R HN 0.863 nan 8.270 nan 0.000 0.451 369 G N -1.178 107.612 108.800 -0.016 0.000 3.088 369 G HA2 -0.020 3.013 3.960 -1.546 0.000 0.212 369 G HA3 -0.020 3.013 3.960 -1.546 0.000 0.212 369 G C -0.202 174.667 174.900 -0.051 0.000 1.173 369 G CA -0.074 45.014 45.100 -0.021 0.000 0.779 369 G HN 0.215 nan 8.290 nan 0.000 0.540 370 T N 1.916 116.443 114.554 -0.044 0.000 2.799 370 T HA 0.256 3.678 4.350 -1.546 0.000 0.296 370 T C 0.149 174.942 174.700 0.156 0.000 0.947 370 T CA 0.401 62.493 62.100 -0.013 0.000 1.141 370 T CB 1.086 69.979 68.868 0.041 0.000 0.891 370 T HN 0.368 nan 8.240 nan 0.000 0.533 371 E N 1.865 122.316 120.200 0.419 0.000 2.259 371 E HA 0.298 3.720 4.350 -1.546 0.000 0.257 371 E C 1.169 177.875 176.600 0.178 0.000 0.998 371 E CA -0.964 55.590 56.400 0.256 0.000 0.866 371 E CB 1.219 31.046 29.700 0.212 0.000 1.220 371 E HN 0.456 nan 8.360 nan 0.000 0.415 372 K N 0.737 121.158 120.400 0.035 0.000 2.113 372 K HA -0.261 3.131 4.320 -1.546 0.000 0.208 372 K C 1.427 178.023 176.600 -0.006 0.000 1.047 372 K CA 1.805 58.059 56.287 -0.056 0.000 0.928 372 K CB 0.105 32.533 32.500 -0.120 0.000 0.716 372 K HN 0.323 nan 8.250 nan 0.000 0.446 373 E N -0.236 119.952 120.200 -0.021 0.000 2.058 373 E HA -0.175 3.248 4.350 -1.546 0.000 0.194 373 E C 1.810 178.319 176.600 -0.151 0.000 0.997 373 E CA 1.901 58.244 56.400 -0.095 0.000 0.801 373 E CB -0.306 29.252 29.700 -0.237 0.000 0.746 373 E HN 0.538 nan 8.360 nan 0.000 0.450 374 H N -1.123 117.983 119.070 0.060 0.000 2.321 374 H HA -0.078 3.550 4.556 -1.547 0.000 0.300 374 H C 1.795 177.172 175.328 0.082 0.000 1.087 374 H CA 1.490 57.569 56.048 0.050 0.000 1.319 374 H CB -0.326 29.469 29.762 0.054 0.000 1.379 374 H HN 0.148 nan 8.280 nan 0.000 0.501 375 F N 0.828 120.826 119.950 0.081 0.000 2.102 375 F HA -0.169 3.433 4.527 -1.542 0.000 0.298 375 F C 2.112 177.919 175.800 0.011 0.000 1.105 375 F CA 1.309 59.334 58.000 0.043 0.000 1.239 375 F CB -0.168 38.838 39.000 0.010 0.000 0.991 375 F HN 0.028 nan 8.300 nan 0.000 0.474 376 I N -0.048 120.683 120.570 0.269 0.000 2.252 376 I HA -0.283 2.959 4.170 -1.546 0.000 0.245 376 I C 2.620 178.750 176.117 0.021 0.000 1.102 376 I CA 1.296 62.670 61.300 0.123 0.000 1.385 376 I CB -0.552 37.446 38.000 -0.004 0.000 1.064 376 I HN 0.086 nan 8.210 nan 0.000 0.414 377 R N 1.171 121.649 120.500 -0.038 0.000 2.091 377 R HA -0.221 3.192 4.340 -1.546 0.000 0.238 377 R C 2.356 178.626 176.300 -0.049 0.000 1.136 377 R CA 1.806 57.838 56.100 -0.114 0.000 0.959 377 R CB -0.262 29.949 30.300 -0.147 0.000 0.856 377 R HN 0.380 nan 8.270 nan 0.000 0.437 378 A N -0.209 122.591 122.820 -0.032 0.000 1.902 378 A HA -0.124 3.269 4.320 -1.546 0.000 0.217 378 A C 2.163 179.750 177.584 0.005 0.000 1.181 378 A CA 1.957 53.976 52.037 -0.031 0.000 0.623 378 A CB -0.818 18.145 19.000 -0.061 0.000 0.818 378 A HN 0.452 nan 8.150 nan 0.000 0.443 379 T N 0.836 115.385 114.554 -0.007 0.000 2.652 379 T HA -0.132 3.291 4.350 -1.546 0.000 0.267 379 T C 1.824 176.557 174.700 0.055 0.000 1.039 379 T CA 1.570 63.702 62.100 0.053 0.000 1.153 379 T CB -0.459 68.481 68.868 0.120 0.000 0.863 379 T HN 0.382 nan 8.240 nan 0.000 0.428 380 L N 0.824 122.073 121.223 0.043 0.000 2.042 380 L HA -0.127 3.285 4.340 -1.546 0.000 0.210 380 L C 2.697 179.532 176.870 -0.058 0.000 1.076 380 L CA 1.585 56.453 54.840 0.046 0.000 0.749 380 L CB -0.775 41.365 42.059 0.136 0.000 0.893 380 L HN 0.398 nan 8.230 nan 0.000 0.432 381 E N 0.222 120.319 120.200 -0.173 0.000 2.204 381 E HA -0.176 3.246 4.350 -1.546 0.000 0.194 381 E C 2.259 178.688 176.600 -0.284 0.000 0.989 381 E CA 1.348 57.440 56.400 -0.514 0.000 0.824 381 E CB -0.139 29.023 29.700 -0.896 0.000 0.756 381 E HN 0.556 nan 8.360 nan 0.000 0.477 382 S N 1.129 116.815 115.700 -0.024 0.000 2.420 382 S HA -0.181 3.361 4.470 -1.546 0.000 0.237 382 S C 1.958 176.503 174.600 -0.091 0.000 1.023 382 S CA 0.837 59.045 58.200 0.014 0.000 0.991 382 S CB -0.284 63.031 63.200 0.193 0.000 0.792 382 S HN 0.079 nan 8.310 nan 0.000 0.488 383 L N 1.091 122.283 121.223 -0.052 0.000 2.093 383 L HA 0.003 3.415 4.340 -1.546 0.000 0.208 383 L C 2.846 179.724 176.870 0.013 0.000 1.085 383 L CA 1.235 56.087 54.840 0.021 0.000 0.755 383 L CB -0.978 41.116 42.059 0.058 0.000 0.904 383 L HN 0.469 nan 8.230 nan 0.000 0.435 384 C N -2.446 116.792 119.300 -0.103 0.000 2.486 384 C HA -0.076 3.457 4.460 -1.546 0.000 0.279 384 C C 2.598 177.477 174.990 -0.186 0.000 1.302 384 C CA -0.303 58.652 59.018 -0.105 0.000 1.720 384 C CB -0.835 26.877 27.740 -0.047 0.000 2.030 384 C HN 0.420 nan 8.230 nan 0.000 0.490 385 Y N 1.708 121.825 120.300 -0.305 0.000 2.181 385 Y HA -0.192 3.427 4.550 -1.553 0.000 0.288 385 Y C 2.672 178.235 175.900 -0.561 0.000 1.146 385 Y CA 1.428 59.133 58.100 -0.658 0.000 1.164 385 Y CB -1.006 36.434 38.460 -1.699 0.000 0.982 385 Y HN 0.451 nan 8.280 nan 0.000 0.515 386 Q N -0.965 118.664 119.800 -0.284 0.000 2.079 386 Q HA -0.150 3.263 4.340 -1.546 0.000 0.200 386 Q C 2.132 178.115 176.000 -0.029 0.000 0.974 386 Q CA 2.009 57.794 55.803 -0.030 0.000 0.840 386 Q CB -0.334 28.405 28.738 0.002 0.000 0.898 386 Q HN 0.415 nan 8.270 nan 0.000 0.430 387 T N 0.628 115.149 114.554 -0.055 0.000 2.746 387 T HA -0.192 3.231 4.350 -1.546 0.000 0.267 387 T C 1.686 176.354 174.700 -0.053 0.000 1.039 387 T CA 1.434 63.498 62.100 -0.060 0.000 1.142 387 T CB -0.188 68.672 68.868 -0.013 0.000 0.866 387 T HN 0.267 nan 8.240 nan 0.000 0.444 388 R N 0.980 121.442 120.500 -0.063 0.000 2.096 388 R HA -0.128 3.284 4.340 -1.546 0.000 0.235 388 R C 1.886 178.182 176.300 -0.007 0.000 1.127 388 R CA 1.692 57.726 56.100 -0.109 0.000 0.968 388 R CB -0.258 29.871 30.300 -0.285 0.000 0.861 388 R HN 0.233 nan 8.270 nan 0.000 0.440 389 D N 0.239 120.717 120.400 0.131 0.000 2.123 389 D HA -0.108 3.604 4.640 -1.546 0.000 0.196 389 D C 0.882 177.200 176.300 0.030 0.000 0.992 389 D CA 0.956 55.062 54.000 0.176 0.000 0.833 389 D CB -0.281 40.649 40.800 0.217 0.000 0.954 389 D HN 0.027 nan 8.370 nan 0.000 0.455 396 K N 1.552 121.959 120.400 0.011 0.000 2.001 396 K HA -0.074 3.319 4.320 -1.546 0.000 0.208 396 K C 0.782 177.391 176.600 0.015 0.000 1.048 396 K CA 1.996 58.291 56.287 0.014 0.000 0.932 396 K CB -0.051 32.460 32.500 0.019 0.000 0.715 396 K HN 0.139 nan 8.250 nan 0.000 0.437 397 D N -0.294 120.118 120.400 0.020 0.000 2.213 397 D HA -0.090 3.623 4.640 -1.546 0.000 0.205 397 D C 1.993 178.303 176.300 0.016 0.000 0.961 397 D CA 1.243 55.256 54.000 0.021 0.000 0.853 397 D CB -0.032 40.787 40.800 0.031 0.000 0.967 397 D HN 0.273 nan 8.370 nan 0.000 0.496 398 S N -0.504 115.205 115.700 0.016 0.000 2.387 398 S HA 0.069 3.611 4.470 -1.546 0.000 0.226 398 S C 1.971 176.574 174.600 0.006 0.000 1.026 398 S CA 1.280 59.487 58.200 0.012 0.000 0.972 398 S CB -0.235 62.972 63.200 0.013 0.000 0.814 398 S HN 0.316 nan 8.310 nan 0.000 0.477 399 G N 0.840 109.643 108.800 0.005 0.000 2.157 399 G HA2 -0.204 2.829 3.960 -1.546 0.000 0.248 399 G HA3 -0.204 2.829 3.960 -1.546 0.000 0.248 399 G C 0.007 174.906 174.900 -0.001 0.000 0.979 399 G CA 0.304 45.405 45.100 0.001 0.000 0.650 399 G HN 0.591 nan 8.290 nan 0.000 0.529 400 I N 0.894 121.463 120.570 -0.002 0.000 2.412 400 I HA 0.349 3.592 4.170 -1.546 0.000 0.296 400 I C -0.831 175.281 176.117 -0.008 0.000 0.987 400 I CA -0.810 60.487 61.300 -0.005 0.000 1.180 400 I CB 1.573 39.569 38.000 -0.006 0.000 1.340 400 I HN -0.127 nan 8.210 nan 0.000 0.455 401 D N 5.445 125.839 120.400 -0.011 0.000 2.359 401 D HA 0.213 3.926 4.640 -1.546 0.000 0.230 401 D C -0.374 175.916 176.300 -0.017 0.000 1.118 401 D CA -0.198 53.794 54.000 -0.014 0.000 0.844 401 D CB 1.905 42.696 40.800 -0.014 0.000 1.059 401 D HN 0.032 nan 8.370 nan 0.000 0.493 402 V N 4.024 123.926 119.914 -0.019 0.000 2.446 402 V HA -0.006 3.186 4.120 -1.546 0.000 0.276 402 V C 1.484 177.564 176.094 -0.023 0.000 1.030 402 V CA 0.120 62.407 62.300 -0.021 0.000 1.033 402 V CB 0.655 32.466 31.823 -0.021 0.000 0.993 402 V HN 0.522 nan 8.190 nan 0.000 0.477 403 Q N 3.009 122.795 119.800 -0.023 0.000 2.280 403 Q HA 0.330 3.743 4.340 -1.546 0.000 0.201 403 Q C 0.333 176.324 176.000 -0.016 0.000 0.890 403 Q CA 0.030 55.820 55.803 -0.020 0.000 0.947 403 Q CB 0.817 29.542 28.738 -0.021 0.000 1.081 403 Q HN 0.572 nan 8.270 nan 0.000 0.502 404 S N 0.104 115.795 115.700 -0.015 0.000 2.605 404 S HA 0.319 3.861 4.470 -1.546 0.000 0.324 404 S C -2.264 172.335 174.600 -0.001 0.000 0.978 404 S CA -0.822 57.377 58.200 -0.002 0.000 0.864 404 S CB 1.031 64.229 63.200 -0.003 0.000 1.095 404 S HN 0.354 nan 8.310 nan 0.000 0.460 405 L N 5.268 126.507 121.223 0.025 0.000 2.287 405 L HA 0.645 4.057 4.340 -1.546 0.000 0.287 405 L C 0.070 176.990 176.870 0.083 0.000 1.022 405 L CA -0.058 54.803 54.840 0.036 0.000 0.814 405 L CB 0.975 43.058 42.059 0.040 0.000 1.217 405 L HN 0.690 nan 8.230 nan 0.000 0.420 406 R N 3.740 124.282 120.500 0.071 0.000 2.390 406 R HA 0.625 4.037 4.340 -1.546 0.000 0.291 406 R C -0.816 175.586 176.300 0.171 0.000 1.070 406 R CA -0.374 55.817 56.100 0.152 0.000 1.014 406 R CB 1.245 31.594 30.300 0.081 0.000 1.007 406 R HN 0.610 nan 8.270 nan 0.000 0.466 407 V N -0.768 119.286 119.914 0.234 0.000 3.001 407 V HA 0.740 3.933 4.120 -1.546 0.000 0.314 407 V C -1.017 175.225 176.094 0.248 0.000 1.099 407 V CA -0.923 61.527 62.300 0.251 0.000 0.989 407 V CB 2.260 34.285 31.823 0.337 0.000 1.040 407 V HN 0.955 nan 8.190 nan 0.000 0.434 408 D N -0.061 120.495 120.400 0.260 0.000 2.643 408 D HA 0.856 4.568 4.640 -1.546 0.000 0.283 408 D C -0.065 176.394 176.300 0.265 0.000 1.242 408 D CA 0.019 54.155 54.000 0.226 0.000 0.863 408 D CB 1.376 42.292 40.800 0.193 0.000 1.382 408 D HN 1.931 nan 8.370 nan 0.000 0.444 409 G N -2.006 106.926 108.800 0.219 0.000 2.497 409 G HA2 0.385 3.417 3.960 -1.546 0.000 0.686 409 G HA3 0.385 3.417 3.960 -1.546 0.000 0.686 409 G C 0.679 175.689 174.900 0.183 0.000 1.288 409 G CA 0.028 45.263 45.100 0.224 0.000 0.899 409 G HN 1.177 nan 8.290 nan 0.000 0.608 410 G N -0.060 108.841 108.800 0.168 0.000 2.440 410 G HA2 0.233 3.266 3.960 -1.546 0.000 0.218 410 G HA3 0.233 3.266 3.960 -1.546 0.000 0.218 410 G C 2.115 177.069 174.900 0.089 0.000 1.154 410 G CA 2.661 47.835 45.100 0.124 0.000 0.767 410 G HN 2.057 nan 8.290 nan 0.000 0.552 411 A N 0.513 123.386 122.820 0.088 0.000 2.178 411 A HA 0.116 3.508 4.320 -1.546 0.000 0.218 411 A C 2.564 180.084 177.584 -0.106 0.000 1.157 411 A CA 1.865 53.898 52.037 -0.006 0.000 0.689 411 A CB -0.535 18.446 19.000 -0.031 0.000 0.787 411 A HN 0.954 nan 8.150 nan 0.000 0.465 412 V N -2.505 117.375 119.914 -0.057 0.000 2.970 412 V HA -0.124 3.068 4.120 -1.546 0.000 0.260 412 V C 1.740 177.811 176.094 -0.040 0.000 1.100 412 V CA 2.027 64.271 62.300 -0.094 0.000 1.122 412 V CB -0.740 31.097 31.823 0.025 0.000 0.721 412 V HN 0.493 nan 8.190 nan 0.000 0.483 413 K N 1.060 121.464 120.400 0.007 0.000 2.283 413 K HA -0.028 3.364 4.320 -1.546 0.000 0.202 413 K C 0.979 177.595 176.600 0.028 0.000 1.048 413 K CA 0.641 56.949 56.287 0.035 0.000 0.948 413 K CB -0.268 32.258 32.500 0.044 0.000 0.742 413 K HN 0.496 nan 8.250 nan 0.000 0.458 414 N N 1.893 120.585 118.700 -0.014 0.000 2.402 414 N HA -0.001 3.811 4.740 -1.546 0.000 0.252 414 N C 0.100 175.582 175.510 -0.046 0.000 1.118 414 N CA 0.113 53.162 53.050 -0.002 0.000 0.945 414 N CB 0.579 39.066 38.487 -0.001 0.000 1.147 414 N HN 0.044 nan 8.380 nan 0.000 0.495 415 N N 2.618 121.345 118.700 0.045 0.000 2.166 415 N HA -0.169 3.643 4.740 -1.546 0.000 0.186 415 N C 1.316 176.820 175.510 -0.011 0.000 1.019 415 N CA 0.714 53.806 53.050 0.070 0.000 0.856 415 N CB -0.377 38.251 38.487 0.235 0.000 0.993 415 N HN 0.599 nan 8.380 nan 0.000 0.426 416 F N 1.788 121.707 119.950 -0.051 0.000 2.095 416 F HA -0.016 3.584 4.527 -1.546 0.000 0.298 416 F C 1.083 176.827 175.800 -0.094 0.000 1.104 416 F CA 0.757 58.730 58.000 -0.045 0.000 1.232 416 F CB -0.203 38.778 39.000 -0.033 0.000 0.987 416 F HN -0.156 nan 8.300 nan 0.000 0.475 420 F N 2.019 121.643 119.950 -0.543 0.000 2.161 420 F HA -0.106 3.491 4.527 -1.550 0.000 0.300 420 F C 2.099 177.658 175.800 -0.401 0.000 1.089 420 F CA 2.324 60.003 58.000 -0.536 0.000 1.282 420 F CB 0.184 38.691 39.000 -0.821 0.000 1.010 420 F HN 0.320 nan 8.300 nan 0.000 0.485 421 Q N 0.713 120.341 119.800 -0.286 0.000 2.050 421 Q HA -0.123 3.289 4.340 -1.546 0.000 0.202 421 Q C 2.251 178.103 176.000 -0.247 0.000 0.980 421 Q CA 2.137 57.797 55.803 -0.237 0.000 0.840 421 Q CB -0.727 27.897 28.738 -0.190 0.000 0.898 421 Q HN 0.410 nan 8.270 nan 0.000 0.424 422 A N 0.587 123.279 122.820 -0.213 0.000 1.883 422 A HA -0.227 3.166 4.320 -1.546 0.000 0.217 422 A C 1.880 179.349 177.584 -0.191 0.000 1.186 422 A CA 1.881 53.837 52.037 -0.136 0.000 0.624 422 A CB -0.980 17.998 19.000 -0.037 0.000 0.822 422 A HN 0.501 nan 8.150 nan 0.000 0.444 423 D N -0.408 119.826 120.400 -0.277 0.000 2.092 423 D HA -0.154 3.558 4.640 -1.546 0.000 0.193 423 D C 1.730 177.801 176.300 -0.381 0.000 0.994 423 D CA 1.480 55.284 54.000 -0.326 0.000 0.828 423 D CB -0.460 40.086 40.800 -0.423 0.000 0.963 423 D HN 0.358 nan 8.370 nan 0.000 0.450 424 I N 0.525 120.753 120.570 -0.570 0.000 2.493 424 I HA -0.176 3.067 4.170 -1.546 0.000 0.254 424 I C 2.037 177.971 176.117 -0.305 0.000 1.160 424 I CA 0.784 61.802 61.300 -0.471 0.000 1.445 424 I CB 0.064 37.705 38.000 -0.598 0.000 1.086 424 I HN -0.027 nan 8.210 nan 0.000 0.433 425 V N -2.115 117.643 119.914 -0.261 0.000 3.660 425 V HA 0.298 3.490 4.120 -1.546 0.000 0.276 425 V C 1.031 177.037 176.094 -0.147 0.000 1.317 425 V CA 0.458 62.637 62.300 -0.202 0.000 1.097 425 V CB -1.129 30.597 31.823 -0.161 0.000 0.863 425 V HN 0.547 nan 8.190 nan 0.000 0.438 426 N N 0.903 119.518 118.700 -0.141 0.000 2.714 426 N HA -0.169 3.643 4.740 -1.546 0.000 0.253 426 N C -0.379 175.089 175.510 -0.070 0.000 1.024 426 N CA 1.344 54.336 53.050 -0.097 0.000 0.726 426 N CB -1.438 36.999 38.487 -0.083 0.000 0.908 426 N HN 0.824 nan 8.380 nan 0.000 0.542 427 T N -0.158 114.358 114.554 -0.065 0.000 2.993 427 T HA 0.451 3.874 4.350 -1.546 0.000 0.312 427 T C -0.265 174.425 174.700 -0.016 0.000 1.115 427 T CA -0.204 61.873 62.100 -0.038 0.000 1.027 427 T CB 1.243 70.088 68.868 -0.039 0.000 1.116 427 T HN 0.338 nan 8.240 nan 0.000 0.464 428 S N 1.558 117.262 115.700 0.006 0.000 2.568 428 S HA 0.483 4.026 4.470 -1.546 0.000 0.282 428 S C -0.002 174.638 174.600 0.067 0.000 1.338 428 S CA -0.639 57.586 58.200 0.042 0.000 1.045 428 S CB 0.370 63.594 63.200 0.040 0.000 0.873 428 S HN 0.520 nan 8.310 nan 0.000 0.516 429 V N 2.542 122.532 119.914 0.126 0.000 2.487 429 V HA 0.440 3.633 4.120 -1.546 0.000 0.298 429 V C -0.262 175.980 176.094 0.247 0.000 1.028 429 V CA -0.613 61.781 62.300 0.156 0.000 0.860 429 V CB 1.498 33.381 31.823 0.100 0.000 0.991 429 V HN 0.980 nan 8.190 nan 0.000 0.427 430 E N 3.723 124.060 120.200 0.229 0.000 2.155 430 E HA 0.462 3.885 4.350 -1.546 0.000 0.264 430 E C -0.585 176.191 176.600 0.293 0.000 0.886 430 E CA -0.687 55.876 56.400 0.272 0.000 0.752 430 E CB 2.380 32.267 29.700 0.312 0.000 1.133 430 E HN 0.503 nan 8.360 nan 0.000 0.414 431 R N 4.461 125.108 120.500 0.246 0.000 2.294 431 R HA 0.343 3.755 4.340 -1.546 0.000 0.319 431 R C -2.421 173.877 176.300 -0.004 0.000 0.984 431 R CA -1.830 54.372 56.100 0.170 0.000 0.861 431 R CB 0.837 31.268 30.300 0.218 0.000 1.104 431 R HN 0.253 nan 8.270 nan 0.000 0.451 432 P HA 0.129 nan 4.420 nan 0.000 0.279 432 P C -0.436 176.681 177.300 -0.306 0.000 1.252 432 P CA -0.268 62.535 63.100 -0.493 0.000 0.811 432 P CB 1.058 32.406 31.700 -0.587 0.000 1.035 433 E N 0.352 120.328 120.200 -0.373 0.000 2.077 433 E HA -0.069 3.353 4.350 -1.546 0.000 0.193 433 E C 0.379 176.912 176.600 -0.111 0.000 0.989 433 E CA 1.109 57.392 56.400 -0.195 0.000 0.800 433 E CB -0.103 29.491 29.700 -0.178 0.000 0.746 433 E HN 0.448 nan 8.360 nan 0.000 0.452 434 I N 1.634 122.129 120.570 -0.124 0.000 2.337 434 I HA 0.065 3.308 4.170 -1.546 0.000 0.285 434 I C 0.540 176.668 176.117 0.018 0.000 1.041 434 I CA -0.036 61.260 61.300 -0.007 0.000 1.199 434 I CB 1.268 39.302 38.000 0.057 0.000 1.370 434 I HN -0.056 nan 8.210 nan 0.000 0.470 435 Q N 3.052 122.885 119.800 0.055 0.000 2.403 435 Q HA 0.011 3.424 4.340 -1.546 0.000 0.203 435 Q C -0.076 176.005 176.000 0.135 0.000 0.932 435 Q CA 0.404 56.259 55.803 0.087 0.000 0.945 435 Q CB 0.249 29.037 28.738 0.082 0.000 1.045 435 Q HN 0.523 nan 8.270 nan 0.000 0.511 436 E N 0.304 120.602 120.200 0.164 0.000 2.392 436 E HA -0.023 3.400 4.350 -1.546 0.000 0.307 436 E C 0.906 177.648 176.600 0.236 0.000 1.505 436 E CA 0.109 56.637 56.400 0.213 0.000 1.716 436 E CB -0.084 29.767 29.700 0.251 0.000 1.450 436 E HN 0.268 nan 8.360 nan 0.000 0.484 437 T N -3.800 110.866 114.554 0.187 0.000 2.951 437 T HA -0.151 3.271 4.350 -1.546 0.000 0.268 437 T C 1.791 176.590 174.700 0.165 0.000 1.073 437 T CA 1.251 63.450 62.100 0.164 0.000 1.134 437 T CB -0.157 68.805 68.868 0.156 0.000 0.884 437 T HN 0.139 nan 8.240 nan 0.000 0.479 438 T N 2.137 116.797 114.554 0.177 0.000 2.708 438 T HA 0.104 3.526 4.350 -1.546 0.000 0.266 438 T C 2.472 177.285 174.700 0.189 0.000 1.037 438 T CA 1.300 63.502 62.100 0.170 0.000 1.146 438 T CB -0.782 68.183 68.868 0.163 0.000 0.865 438 T HN 0.607 nan 8.240 nan 0.000 0.435 439 A N 1.161 124.127 122.820 0.243 0.000 1.898 439 A HA 0.020 3.413 4.320 -1.546 0.000 0.216 439 A C 2.226 179.963 177.584 0.254 0.000 1.181 439 A CA 1.116 53.350 52.037 0.329 0.000 0.620 439 A CB -0.784 18.499 19.000 0.471 0.000 0.819 439 A HN 0.382 nan 8.150 nan 0.000 0.442 440 L N 0.225 121.522 121.223 0.123 0.000 2.017 440 L HA -0.040 3.372 4.340 -1.546 0.000 0.208 440 L C 2.422 179.297 176.870 0.009 0.000 1.073 440 L CA 2.296 56.984 54.840 -0.253 0.000 0.745 440 L CB -1.192 40.799 42.059 -0.113 0.000 0.894 440 L HN 0.317 nan 8.230 nan 0.000 0.432 441 G N -1.076 107.805 108.800 0.135 0.000 2.459 441 G HA2 -0.295 2.737 3.960 -1.546 0.000 0.217 441 G HA3 -0.295 2.737 3.960 -1.546 0.000 0.217 441 G C 1.610 176.641 174.900 0.220 0.000 1.183 441 G CA 0.974 46.240 45.100 0.276 0.000 0.776 441 G HN 0.637 nan 8.290 nan 0.000 0.552 442 A N 1.062 123.973 122.820 0.151 0.000 1.933 442 A HA 0.243 3.635 4.320 -1.546 0.000 0.218 442 A C 2.807 180.481 177.584 0.151 0.000 1.175 442 A CA 2.290 54.401 52.037 0.123 0.000 0.628 442 A CB -0.738 18.341 19.000 0.131 0.000 0.814 442 A HN 0.839 nan 8.150 nan 0.000 0.444 443 A N -1.270 121.646 122.820 0.160 0.000 1.902 443 A HA -0.023 3.370 4.320 -1.546 0.000 0.217 443 A C 1.963 179.721 177.584 0.290 0.000 1.181 443 A CA 1.522 53.670 52.037 0.185 0.000 0.623 443 A CB -0.706 18.309 19.000 0.025 0.000 0.818 443 A HN 0.465 nan 8.150 nan 0.000 0.443 444 F N -0.038 120.012 119.950 0.167 0.000 2.186 444 F HA -0.063 3.537 4.527 -1.546 0.000 0.299 444 F C 2.109 178.047 175.800 0.230 0.000 1.090 444 F CA 1.234 59.381 58.000 0.244 0.000 1.307 444 F CB -0.304 38.762 39.000 0.110 0.000 1.019 444 F HN 0.097 nan 8.300 nan 0.000 0.489 445 L N -0.652 120.693 121.223 0.203 0.000 1.989 445 L HA -0.274 3.138 4.340 -1.546 0.000 0.211 445 L C 2.732 179.635 176.870 0.055 0.000 1.071 445 L CA 1.395 56.231 54.840 -0.006 0.000 0.749 445 L CB -1.123 40.855 42.059 -0.135 0.000 0.890 445 L HN 0.137 nan 8.230 nan 0.000 0.431 446 A N 0.145 123.011 122.820 0.077 0.000 1.877 446 A HA -0.122 3.270 4.320 -1.546 0.000 0.216 446 A C 2.400 179.995 177.584 0.018 0.000 1.186 446 A CA 1.772 53.825 52.037 0.026 0.000 0.620 446 A CB -1.322 17.689 19.000 0.018 0.000 0.822 446 A HN 0.455 nan 8.150 nan 0.000 0.443 447 G N -0.350 108.504 108.800 0.091 0.000 2.408 447 G HA2 -0.118 2.914 3.960 -1.546 0.000 0.217 447 G HA3 -0.118 2.914 3.960 -1.546 0.000 0.217 447 G C 1.552 176.545 174.900 0.156 0.000 1.150 447 G CA 0.976 46.102 45.100 0.044 0.000 0.776 447 G HN 0.421 nan 8.290 nan 0.000 0.542 448 L N 0.660 122.032 121.223 0.248 0.000 2.083 448 L HA -0.040 3.373 4.340 -1.546 0.000 0.209 448 L C 3.364 180.285 176.870 0.086 0.000 1.083 448 L CA 0.998 55.962 54.840 0.208 0.000 0.752 448 L CB -0.308 41.892 42.059 0.235 0.000 0.899 448 L HN 0.296 nan 8.230 nan 0.000 0.433 449 A N -0.213 122.626 122.820 0.031 0.000 1.969 449 A HA -0.121 3.272 4.320 -1.546 0.000 0.218 449 A C 2.025 179.584 177.584 -0.041 0.000 1.169 449 A CA 1.739 53.755 52.037 -0.035 0.000 0.635 449 A CB -0.607 18.330 19.000 -0.105 0.000 0.810 449 A HN 0.351 nan 8.150 nan 0.000 0.445 450 V N -4.270 115.624 119.914 -0.033 0.000 3.542 450 V HA 0.550 3.743 4.120 -1.546 0.000 0.296 450 V C 1.198 177.283 176.094 -0.015 0.000 1.364 450 V CA 0.597 62.872 62.300 -0.042 0.000 1.118 450 V CB -0.763 31.017 31.823 -0.073 0.000 0.972 450 V HN 1.452 nan 8.190 nan 0.000 0.430 451 G N 0.220 109.025 108.800 0.008 0.000 2.147 451 G HA2 -0.373 2.660 3.960 -1.546 0.000 0.244 451 G HA3 -0.373 2.660 3.960 -1.546 0.000 0.244 451 G C 0.296 175.184 174.900 -0.021 0.000 1.005 451 G CA 0.644 45.748 45.100 0.006 0.000 0.713 451 G HN 0.672 nan 8.290 nan 0.000 0.515 452 F N 0.107 119.908 119.950 -0.248 0.000 2.163 452 F HA 0.362 3.961 4.527 -1.546 0.000 0.297 452 F C 1.172 176.612 175.800 -0.599 0.000 1.094 452 F CA 0.937 58.640 58.000 -0.496 0.000 1.290 452 F CB 0.148 38.698 39.000 -0.749 0.000 1.017 452 F HN 0.246 nan 8.300 nan 0.000 0.483 453 W N 1.386 122.667 121.300 -0.032 0.000 2.689 453 W HA 0.248 3.981 4.660 -1.545 0.000 0.340 453 W C 0.989 177.511 176.519 0.004 0.000 1.060 453 W CA -0.562 56.737 57.345 -0.077 0.000 1.218 453 W CB 1.024 30.451 29.460 -0.055 0.000 1.410 453 W HN -0.031 nan 8.180 nan 0.000 0.528 454 E N 0.376 120.726 120.200 0.249 0.000 2.190 454 E HA -0.005 3.418 4.350 -1.546 0.000 0.191 454 E C 0.381 177.073 176.600 0.155 0.000 0.978 454 E CA 0.487 56.976 56.400 0.149 0.000 0.839 454 E CB 0.411 30.166 29.700 0.091 0.000 0.787 454 E HN 0.114 nan 8.360 nan 0.000 0.473 455 S N 0.026 115.844 115.700 0.196 0.000 2.540 455 S HA 0.327 3.869 4.470 -1.546 0.000 0.275 455 S C 0.395 175.070 174.600 0.124 0.000 1.123 455 S CA -0.546 57.725 58.200 0.119 0.000 0.907 455 S CB 1.706 64.942 63.200 0.060 0.000 1.081 455 S HN 0.167 nan 8.310 nan 0.000 0.476 456 K N 1.986 122.379 120.400 -0.011 0.000 2.283 456 K HA -0.021 3.371 4.320 -1.546 0.000 0.202 456 K C 0.287 176.733 176.600 -0.257 0.000 1.048 456 K CA 1.321 57.490 56.287 -0.195 0.000 0.948 456 K CB -0.255 31.902 32.500 -0.571 0.000 0.742 456 K HN 0.455 nan 8.250 nan 0.000 0.458 457 D N 2.096 122.416 120.400 -0.133 0.000 2.309 457 D HA -0.140 3.573 4.640 -1.546 0.000 0.212 457 D C 1.043 177.311 176.300 -0.054 0.000 0.968 457 D CA 0.890 54.873 54.000 -0.027 0.000 0.882 457 D CB -0.191 40.602 40.800 -0.012 0.000 0.918 457 D HN 0.294 nan 8.370 nan 0.000 0.503 458 D N 0.525 120.879 120.400 -0.077 0.000 2.190 458 D HA -0.128 3.585 4.640 -1.546 0.000 0.200 458 D C 2.231 178.379 176.300 -0.252 0.000 0.992 458 D CA 0.410 54.357 54.000 -0.089 0.000 0.854 458 D CB -0.161 40.650 40.800 0.018 0.000 0.936 458 D HN 0.326 nan 8.370 nan 0.000 0.462 459 I N 0.959 121.221 120.570 -0.512 0.000 2.179 459 I HA -0.271 2.972 4.170 -1.546 0.000 0.242 459 I C 2.497 178.472 176.117 -0.236 0.000 1.088 459 I CA 1.069 62.033 61.300 -0.561 0.000 1.357 459 I CB -0.317 37.268 38.000 -0.692 0.000 1.051 459 I HN -0.053 nan 8.210 nan 0.000 0.409 460 A N 1.112 123.823 122.820 -0.181 0.000 1.865 460 A HA -0.244 3.149 4.320 -1.546 0.000 0.217 460 A C 2.323 179.887 177.584 -0.034 0.000 1.191 460 A CA 1.820 53.766 52.037 -0.152 0.000 0.623 460 A CB -0.558 18.372 19.000 -0.117 0.000 0.826 460 A HN 0.332 nan 8.150 nan 0.000 0.444 461 K N -0.458 119.927 120.400 -0.024 0.000 2.063 461 K HA -0.145 3.247 4.320 -1.546 0.000 0.208 461 K C 1.568 178.197 176.600 0.048 0.000 1.048 461 K CA 1.494 57.791 56.287 0.016 0.000 0.928 461 K CB -0.256 32.250 32.500 0.011 0.000 0.713 461 K HN 0.395 nan 8.250 nan 0.000 0.442 462 N N -0.115 118.604 118.700 0.031 0.000 2.409 462 N HA -0.095 3.718 4.740 -1.546 0.000 0.179 462 N C 0.142 175.702 175.510 0.084 0.000 1.032 462 N CA 0.312 53.391 53.050 0.048 0.000 0.898 462 N CB -0.130 38.371 38.487 0.024 0.000 0.971 462 N HN 0.213 nan 8.380 nan 0.000 0.441 463 W N 2.555 123.802 121.300 -0.088 0.000 2.257 463 W HA 0.030 3.761 4.660 -1.548 0.000 0.337 463 W C -0.216 176.277 176.519 -0.044 0.000 1.321 463 W CA 0.354 57.653 57.345 -0.076 0.000 1.267 463 W CB 0.403 29.790 29.460 -0.122 0.000 1.187 463 W HN -0.220 nan 8.180 nan 0.000 0.565 464 K N 6.378 126.486 120.400 -0.486 0.000 2.482 464 K HA 0.271 3.664 4.320 -1.546 0.000 0.251 464 K C -1.408 174.722 176.600 -0.782 0.000 0.936 464 K CA -1.355 54.702 56.287 -0.383 0.000 0.791 464 K CB 1.929 34.315 32.500 -0.189 0.000 1.213 464 K HN 0.347 nan 8.250 nan 0.000 0.428 465 L N 3.346 124.284 121.223 -0.475 0.000 2.418 465 L HA 0.043 3.455 4.340 -1.546 0.000 0.274 465 L C 1.296 178.031 176.870 -0.225 0.000 1.135 465 L CA 0.844 55.474 54.840 -0.350 0.000 0.870 465 L CB 0.463 42.529 42.059 0.012 0.000 1.154 465 L HN 0.766 nan 8.230 nan 0.000 0.462 466 E N 3.638 123.708 120.200 -0.217 0.000 2.099 466 E HA 0.014 3.436 4.350 -1.546 0.000 0.191 466 E C -0.277 176.259 176.600 -0.106 0.000 0.962 466 E CA 0.495 56.815 56.400 -0.135 0.000 0.826 466 E CB 0.494 30.128 29.700 -0.110 0.000 0.788 466 E HN 0.784 nan 8.360 nan 0.000 0.461 467 E N -0.024 120.120 120.200 -0.093 0.000 2.321 467 E HA 0.222 3.645 4.350 -1.546 0.000 0.281 467 E C -1.587 174.912 176.600 -0.169 0.000 0.910 467 E CA -0.496 55.787 56.400 -0.195 0.000 0.770 467 E CB 1.609 31.108 29.700 -0.333 0.000 1.225 467 E HN -0.135 nan 8.360 nan 0.000 0.417 468 K N 4.477 124.743 120.400 -0.223 0.000 2.307 468 K HA 0.378 3.770 4.320 -1.546 0.000 0.263 468 K C -1.497 174.960 176.600 -0.239 0.000 0.973 468 K CA -0.537 55.694 56.287 -0.095 0.000 0.846 468 K CB 0.594 33.086 32.500 -0.013 0.000 1.100 468 K HN 0.276 nan 8.250 nan 0.000 0.438 469 F N 2.670 122.618 119.950 -0.004 0.000 2.408 469 F HA 0.284 3.885 4.527 -1.543 0.000 0.344 469 F C 0.373 176.155 175.800 -0.030 0.000 1.112 469 F CA -0.395 57.590 58.000 -0.024 0.000 1.096 469 F CB 1.190 40.166 39.000 -0.040 0.000 1.129 469 F HN 0.377 nan 8.300 nan 0.000 0.486 470 D N 4.401 124.865 120.400 0.107 0.000 2.256 470 D HA 0.274 3.986 4.640 -1.546 0.000 0.246 470 D C -2.615 173.700 176.300 0.025 0.000 1.042 470 D CA -1.484 52.542 54.000 0.043 0.000 0.841 470 D CB 1.925 42.729 40.800 0.007 0.000 1.223 470 D HN 0.105 nan 8.370 nan 0.000 0.470 471 P HA 0.116 nan 4.420 nan 0.000 0.267 471 P C -0.264 177.015 177.300 -0.034 0.000 1.205 471 P CA 0.044 63.117 63.100 -0.044 0.000 0.765 471 P CB 0.902 32.567 31.700 -0.058 0.000 0.828 475 E N 1.336 121.537 120.200 0.002 0.000 2.160 475 E HA -0.055 3.368 4.350 -1.546 0.000 0.195 475 E C 1.971 178.587 176.600 0.027 0.000 0.991 475 E CA 2.334 58.738 56.400 0.007 0.000 0.810 475 E CB -0.622 29.082 29.700 0.007 0.000 0.742 475 E HN 0.618 nan 8.360 nan 0.000 0.466 476 G N 0.355 109.173 108.800 0.031 0.000 2.404 476 G HA2 -0.312 2.720 3.960 -1.546 0.000 0.215 476 G HA3 -0.312 2.720 3.960 -1.546 0.000 0.215 476 G C 1.552 176.489 174.900 0.062 0.000 1.174 476 G CA 0.759 45.886 45.100 0.045 0.000 0.780 476 G HN 0.423 nan 8.290 nan 0.000 0.537 477 E N 0.259 120.494 120.200 0.058 0.000 2.051 477 E HA -0.171 3.252 4.350 -1.546 0.000 0.192 477 E C 2.474 179.136 176.600 0.103 0.000 0.991 477 E CA 0.962 57.410 56.400 0.080 0.000 0.799 477 E CB -0.158 29.582 29.700 0.066 0.000 0.748 477 E HN 0.414 nan 8.360 nan 0.000 0.449 478 R N 0.365 120.902 120.500 0.061 0.000 2.083 478 R HA -0.181 3.231 4.340 -1.546 0.000 0.237 478 R C 2.111 178.494 176.300 0.138 0.000 1.137 478 R CA 1.877 58.012 56.100 0.058 0.000 0.951 478 R CB -0.060 30.229 30.300 -0.018 0.000 0.851 478 R HN 0.122 nan 8.270 nan 0.000 0.434 479 E N 0.610 120.880 120.200 0.117 0.000 2.106 479 E HA -0.188 3.235 4.350 -1.546 0.000 0.192 479 E C 1.762 178.469 176.600 0.177 0.000 0.984 479 E CA 1.013 57.506 56.400 0.154 0.000 0.806 479 E CB -0.132 29.632 29.700 0.106 0.000 0.750 479 E HN 0.409 nan 8.360 nan 0.000 0.458 480 K N 0.852 121.343 120.400 0.153 0.000 2.057 480 K HA -0.079 3.313 4.320 -1.546 0.000 0.206 480 K C 2.311 179.043 176.600 0.219 0.000 1.050 480 K CA 0.715 57.093 56.287 0.152 0.000 0.935 480 K CB -0.093 32.485 32.500 0.130 0.000 0.715 480 K HN 0.038 nan 8.250 nan 0.000 0.439 481 L N 0.005 121.406 121.223 0.298 0.000 2.012 481 L HA -0.218 3.195 4.340 -1.546 0.000 0.210 481 L C 2.528 179.684 176.870 0.477 0.000 1.073 481 L CA 1.363 56.481 54.840 0.464 0.000 0.748 481 L CB -0.538 41.841 42.059 0.534 0.000 0.891 481 L HN 0.278 nan 8.230 nan 0.000 0.431 482 Y N 0.593 121.057 120.300 0.273 0.000 2.293 482 Y HA -0.230 3.386 4.550 -1.556 0.000 0.291 482 Y C 2.724 178.671 175.900 0.078 0.000 1.137 482 Y CA 1.305 59.524 58.100 0.199 0.000 1.202 482 Y CB -0.181 38.395 38.460 0.194 0.000 0.990 482 Y HN -0.018 nan 8.280 nan 0.000 0.537 483 R N 0.156 120.680 120.500 0.040 0.000 2.081 483 R HA -0.079 3.334 4.340 -1.546 0.000 0.235 483 R C 2.530 178.689 176.300 -0.235 0.000 1.131 483 R CA 1.704 57.742 56.100 -0.104 0.000 0.960 483 R CB -1.249 29.043 30.300 -0.013 0.000 0.856 483 R HN 0.433 nan 8.270 nan 0.000 0.436 484 G N -0.102 108.589 108.800 -0.182 0.000 2.418 484 G HA2 -0.289 2.744 3.960 -1.546 0.000 0.217 484 G HA3 -0.289 2.744 3.960 -1.546 0.000 0.217 484 G C 1.370 175.608 174.900 -1.105 0.000 1.158 484 G CA 0.638 45.482 45.100 -0.427 0.000 0.771 484 G HN 0.518 nan 8.290 nan 0.000 0.545 485 W N 1.702 122.251 121.300 -1.251 0.000 2.335 485 W HA -0.107 3.608 4.660 -1.574 0.000 0.311 485 W C 1.984 178.016 176.519 -0.812 0.000 1.213 485 W CA 1.631 58.243 57.345 -1.222 0.000 1.274 485 W CB -0.048 28.730 29.460 -1.137 0.000 1.148 485 W HN 0.078 nan 8.180 nan 0.000 0.498 486 K N 0.802 120.763 120.400 -0.732 0.000 2.097 486 K HA -0.206 3.187 4.320 -1.546 0.000 0.206 486 K C 1.734 177.943 176.600 -0.651 0.000 1.049 486 K CA 1.692 57.580 56.287 -0.666 0.000 0.933 486 K CB -0.736 31.489 32.500 -0.458 0.000 0.717 486 K HN 0.064 nan 8.250 nan 0.000 0.442 487 K N 1.407 121.444 120.400 -0.604 0.000 2.057 487 K HA -0.031 3.362 4.320 -1.546 0.000 0.207 487 K C 1.913 178.058 176.600 -0.758 0.000 1.049 487 K CA 1.468 57.425 56.287 -0.551 0.000 0.931 487 K CB -0.468 31.771 32.500 -0.435 0.000 0.714 487 K HN 0.078 nan 8.250 nan 0.000 0.440 488 A N 0.027 122.265 122.820 -0.970 0.000 1.908 488 A HA -0.114 3.278 4.320 -1.546 0.000 0.218 488 A C 2.312 179.258 177.584 -1.064 0.000 1.181 488 A CA 1.914 53.224 52.037 -1.213 0.000 0.627 488 A CB -0.765 17.672 19.000 -0.938 0.000 0.818 488 A HN 0.128 nan 8.150 nan 0.000 0.445 489 V N -0.001 119.280 119.914 -1.056 0.000 2.358 489 V HA -0.252 2.941 4.120 -1.546 0.000 0.246 489 V C 2.493 178.194 176.094 -0.656 0.000 1.047 489 V CA 2.175 63.925 62.300 -0.917 0.000 1.035 489 V CB -0.715 30.430 31.823 -1.131 0.000 0.658 489 V HN 0.782 nan 8.190 nan 0.000 0.452 490 E N 0.584 120.438 120.200 -0.578 0.000 2.049 490 E HA -0.286 3.136 4.350 -1.546 0.000 0.198 490 E C 2.229 178.633 176.600 -0.327 0.000 1.007 490 E CA 1.746 57.912 56.400 -0.389 0.000 0.809 490 E CB -0.242 29.260 29.700 -0.330 0.000 0.749 490 E HN 0.552 nan 8.360 nan 0.000 0.450 491 A N 0.236 122.797 122.820 -0.432 0.000 1.902 491 A HA -0.159 3.233 4.320 -1.546 0.000 0.217 491 A C 2.394 179.926 177.584 -0.087 0.000 1.181 491 A CA 2.016 53.867 52.037 -0.310 0.000 0.623 491 A CB -0.976 17.680 19.000 -0.574 0.000 0.818 491 A HN 0.375 nan 8.150 nan 0.000 0.443 492 T N 0.470 114.952 114.554 -0.119 0.000 2.699 492 T HA -0.212 3.211 4.350 -1.546 0.000 0.268 492 T C 1.922 176.628 174.700 0.010 0.000 1.036 492 T CA 1.808 63.945 62.100 0.061 0.000 1.147 492 T CB -0.336 68.498 68.868 -0.056 0.000 0.862 492 T HN 0.647 nan 8.240 nan 0.000 0.446 493 Q N 0.295 120.030 119.800 -0.108 0.000 2.364 493 Q HA -0.019 3.394 4.340 -1.546 0.000 0.207 493 Q C 2.403 178.392 176.000 -0.017 0.000 0.970 493 Q CA 0.752 56.511 55.803 -0.074 0.000 0.888 493 Q CB -0.255 28.406 28.738 -0.129 0.000 0.951 493 Q HN 0.403 nan 8.270 nan 0.000 0.469 494 V N 0.212 120.128 119.914 0.004 0.000 2.548 494 V HA -0.134 3.059 4.120 -1.546 0.000 0.249 494 V C 0.897 177.029 176.094 0.062 0.000 1.055 494 V CA 0.691 63.005 62.300 0.023 0.000 1.065 494 V CB -0.380 31.459 31.823 0.027 0.000 0.681 494 V HN 0.247 nan 8.190 nan 0.000 0.462 495 F N 3.438 123.386 119.950 -0.003 0.000 2.512 495 F HA 0.333 3.929 4.527 -1.550 0.000 0.350 495 F C 0.330 176.132 175.800 0.003 0.000 1.212 495 F CA -0.088 57.915 58.000 0.006 0.000 1.099 495 F CB -0.374 38.634 39.000 0.013 0.000 1.238 495 F HN -0.087 nan 8.300 nan 0.000 0.600 496 K N 4.018 124.119 120.400 -0.498 0.000 2.535 496 K HA 0.252 3.644 4.320 -1.546 0.000 0.250 496 K C 0.420 176.760 176.600 -0.434 0.000 0.948 496 K CA -0.181 55.898 56.287 -0.347 0.000 0.796 496 K CB 1.669 34.084 32.500 -0.143 0.000 1.216 496 K HN 0.554 nan 8.250 nan 0.000 0.432 497 T N -2.413 111.911 114.554 -0.384 0.000 2.959 497 T HA 0.207 3.629 4.350 -1.546 0.000 0.254 497 T C 0.331 174.956 174.700 -0.126 0.000 1.003 497 T CA -0.040 61.892 62.100 -0.279 0.000 0.950 497 T CB 0.604 69.308 68.868 -0.272 0.000 1.090 497 T HN 0.324 nan 8.240 nan 0.000 0.503 498 E N 0.000 120.150 120.200 -0.083 0.000 2.725 498 E HA 0.000 3.423 4.350 -1.546 0.000 0.291 498 E CA 0.000 56.386 56.400 -0.024 0.000 0.976 498 E CB 0.000 29.708 29.700 0.013 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440