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 3lmm_1_D DATA FIRST_RESID 9 DATA SEQUENCE EGRREQLIAQ VESILASAAD GRVQKTKETQ SVDFKEEAGR RNGPQIEPGK DATA SEQUENCE PENPEAADKL ADEVAcXANT PGGGALIVGI EDKTGRIIGT ELDIDWLRQG DATA SEQUENCE IFTRIDVAPD VVAKRVLGQR VLAIYVAAAA EPIEDTSDRL RWRVGDScRP DATA SEQUENCE VDRAEWWEYQ RAQSGFDPXA QVTTATLGDA RPAALALARK WDPAFAELTD DATA SEQUENCE EELLRGIGAL DAEGFLSQAG KLLFTSLDRT AIELSIFDVH GGQVLNRVVP DATA SEQUENCE EPEKSCLEQL DYLEQALNVV NKNXXXXXXX XXXXVPEIPR LAVREAXLNA DATA SEQUENCE XIHRDWNRSE PIDVRWIELD STLIVRSPGG FPAAITSENV LSNRAARYPA DATA SEQUENCE LADLYRALGL VDKQGVGVDR XYQAXIALGH RPPTIEEIAG PFVETTLVGG DATA SEQUENCE RPVLPVLELV SSIVPEARQD DYRIAIVLYL LFQRPFITID VVARGLQSGK DATA SEQUENCE EAARNALEAA RQTTVAGAPL IIAHDGVWLL GNACREILRK VEPSPFSPVR DATA SEQUENCE YLSTDQAELT NAAXLWLSEV GDLATSDLXA XCGVSRGTAK ACVDGLVDEE DATA SEQUENCE RVVAVGGGRS RRYRLVE 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 9 E HA 0.000 nan 4.350 nan 0.000 0.291 9 E C 0.000 176.593 176.600 -0.012 0.000 1.382 9 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 9 E CB 0.000 29.704 29.700 0.007 0.000 0.812 10 G N 1.008 109.804 108.800 -0.006 0.000 2.598 10 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.215 10 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.215 10 G C 1.245 176.138 174.900 -0.011 0.000 1.131 10 G CA 1.144 46.238 45.100 -0.010 0.000 0.785 10 G HN 0.292 nan 8.290 nan 0.000 0.539 11 R N 0.846 121.343 120.500 -0.006 0.000 2.062 11 R HA 0.049 4.388 4.340 -0.001 0.000 0.229 11 R C 2.406 178.699 176.300 -0.011 0.000 1.128 11 R CA 1.204 57.304 56.100 -0.001 0.000 0.960 11 R CB -0.621 29.686 30.300 0.011 0.000 0.855 11 R HN 0.187 nan 8.270 nan 0.000 0.432 12 R N 1.148 121.630 120.500 -0.031 0.000 2.117 12 R HA -0.117 4.223 4.340 -0.001 0.000 0.243 12 R C 1.792 178.016 176.300 -0.127 0.000 1.143 12 R CA 2.260 58.307 56.100 -0.089 0.000 0.968 12 R CB -0.448 29.783 30.300 -0.115 0.000 0.863 12 R HN 0.535 nan 8.270 nan 0.000 0.444 13 E N -0.310 119.841 120.200 -0.082 0.000 2.047 13 E HA -0.259 4.091 4.350 -0.001 0.000 0.191 13 E C 1.956 178.533 176.600 -0.038 0.000 0.987 13 E CA 1.386 57.744 56.400 -0.070 0.000 0.799 13 E CB -0.133 29.541 29.700 -0.043 0.000 0.752 13 E HN 0.520 nan 8.360 nan 0.000 0.449 14 Q N 0.405 120.195 119.800 -0.016 0.000 2.135 14 Q HA -0.219 4.121 4.340 -0.001 0.000 0.204 14 Q C 2.030 178.049 176.000 0.031 0.000 0.981 14 Q CA 1.109 56.915 55.803 0.006 0.000 0.856 14 Q CB 0.077 28.819 28.738 0.007 0.000 0.902 14 Q HN 0.142 nan 8.270 nan 0.000 0.425 15 L N 0.318 121.565 121.223 0.041 0.000 2.023 15 L HA -0.094 4.246 4.340 -0.001 0.000 0.205 15 L C 2.169 179.154 176.870 0.192 0.000 1.073 15 L CA 1.439 56.358 54.840 0.132 0.000 0.745 15 L CB -0.667 41.515 42.059 0.204 0.000 0.900 15 L HN 0.335 nan 8.230 nan 0.000 0.435 16 I N -0.678 119.909 120.570 0.029 0.000 2.151 16 I HA -0.372 3.797 4.170 -0.001 0.000 0.243 16 I C 2.511 178.682 176.117 0.090 0.000 1.080 16 I CA 1.429 62.741 61.300 0.020 0.000 1.339 16 I CB -0.537 37.349 38.000 -0.189 0.000 1.039 16 I HN 0.264 nan 8.210 nan 0.000 0.409 17 A N -0.199 122.647 122.820 0.042 0.000 1.972 17 A HA -0.255 4.065 4.320 -0.001 0.000 0.219 17 A C 2.246 179.869 177.584 0.065 0.000 1.169 17 A CA 1.527 53.590 52.037 0.043 0.000 0.635 17 A CB -0.542 18.471 19.000 0.022 0.000 0.810 17 A HN 0.491 nan 8.150 nan 0.000 0.446 18 Q N -0.586 119.264 119.800 0.083 0.000 2.046 18 Q HA -0.108 4.231 4.340 -0.001 0.000 0.200 18 Q C 2.164 178.229 176.000 0.109 0.000 0.975 18 Q CA 1.710 57.565 55.803 0.086 0.000 0.836 18 Q CB -0.252 28.537 28.738 0.085 0.000 0.896 18 Q HN 0.526 nan 8.270 nan 0.000 0.428 19 V N 1.316 121.320 119.914 0.150 0.000 2.343 19 V HA -0.229 3.891 4.120 -0.001 0.000 0.247 19 V C 2.097 178.256 176.094 0.109 0.000 1.051 19 V CA 1.607 63.993 62.300 0.143 0.000 1.036 19 V CB -0.544 31.386 31.823 0.179 0.000 0.654 19 V HN 0.316 nan 8.190 nan 0.000 0.451 20 E N 0.248 120.511 120.200 0.104 0.000 2.085 20 E HA -0.219 4.131 4.350 -0.001 0.000 0.194 20 E C 2.509 179.143 176.600 0.057 0.000 0.994 20 E CA 1.709 58.151 56.400 0.071 0.000 0.801 20 E CB -0.439 29.297 29.700 0.060 0.000 0.743 20 E HN 0.591 nan 8.360 nan 0.000 0.453 21 S N 0.649 116.385 115.700 0.060 0.000 2.356 21 S HA -0.133 4.336 4.470 -0.001 0.000 0.223 21 S C 2.147 176.783 174.600 0.060 0.000 1.032 21 S CA 0.950 59.182 58.200 0.052 0.000 1.005 21 S CB -0.233 62.998 63.200 0.051 0.000 0.867 21 S HN 0.184 nan 8.310 nan 0.000 0.449 22 I N 1.394 122.015 120.570 0.084 0.000 2.226 22 I HA -0.181 3.989 4.170 -0.001 0.000 0.245 22 I C 2.283 178.435 176.117 0.058 0.000 1.100 22 I CA 1.184 62.548 61.300 0.107 0.000 1.374 22 I CB -0.408 37.707 38.000 0.192 0.000 1.057 22 I HN 0.335 nan 8.210 nan 0.000 0.413 23 L N 0.623 121.868 121.223 0.037 0.000 2.093 23 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 23 L C 2.512 179.389 176.870 0.011 0.000 1.085 23 L CA 1.107 55.951 54.840 0.006 0.000 0.755 23 L CB -0.753 41.310 42.059 0.008 0.000 0.904 23 L HN 0.222 nan 8.230 nan 0.000 0.435 24 A N -0.274 122.560 122.820 0.023 0.000 2.263 24 A HA -0.048 4.271 4.320 -0.001 0.000 0.205 24 A C 1.877 179.472 177.584 0.019 0.000 1.226 24 A CA 1.180 53.229 52.037 0.019 0.000 0.810 24 A CB -0.491 18.523 19.000 0.023 0.000 0.784 24 A HN 0.511 nan 8.150 nan 0.000 0.486 25 S N -1.625 114.088 115.700 0.021 0.000 2.701 25 S HA 0.551 5.021 4.470 -0.001 0.000 0.242 25 S C 0.673 175.281 174.600 0.014 0.000 1.025 25 S CA 0.372 58.585 58.200 0.022 0.000 1.016 25 S CB -0.326 62.895 63.200 0.036 0.000 0.977 25 S HN 0.884 nan 8.310 nan 0.000 0.546 26 A N 1.513 124.335 122.820 0.003 0.000 2.548 26 A HA 0.644 4.963 4.320 -0.001 0.000 0.247 26 A C 0.504 178.087 177.584 -0.003 0.000 1.067 26 A CA 0.478 52.511 52.037 -0.008 0.000 0.757 26 A CB -0.495 18.494 19.000 -0.018 0.000 0.996 26 A HN 1.462 nan 8.150 nan 0.000 0.504 27 A N 2.982 125.801 122.820 -0.002 0.000 2.566 27 A HA 0.611 4.931 4.320 -0.001 0.000 0.297 27 A C -0.168 177.416 177.584 -0.001 0.000 1.059 27 A CA -0.193 51.844 52.037 0.000 0.000 0.691 27 A CB 0.751 19.754 19.000 0.005 0.000 1.282 27 A HN 1.020 nan 8.150 nan 0.000 0.401 28 D N 0.974 121.373 120.400 -0.002 0.000 2.708 28 D HA -0.189 4.451 4.640 -0.001 0.000 0.236 28 D C 1.018 177.315 176.300 -0.005 0.000 1.146 28 D CA 2.490 56.489 54.000 -0.002 0.000 0.662 28 D CB -1.133 39.668 40.800 0.002 0.000 1.059 28 D HN 2.260 nan 8.370 nan 0.000 0.428 29 G N 0.675 109.469 108.800 -0.010 0.000 2.273 29 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.280 29 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.280 29 G C 0.197 175.084 174.900 -0.022 0.000 1.047 29 G CA 0.931 46.021 45.100 -0.017 0.000 0.869 29 G HN 0.800 nan 8.290 nan 0.000 0.502 30 R N -2.442 118.045 120.500 -0.023 0.000 2.687 30 R HA 0.638 4.978 4.340 -0.001 0.000 0.265 30 R C -0.391 175.895 176.300 -0.023 0.000 1.048 30 R CA -0.654 55.429 56.100 -0.028 0.000 0.884 30 R CB 0.963 31.261 30.300 -0.004 0.000 1.258 30 R HN 0.870 nan 8.270 nan 0.000 0.469 31 V N -1.048 118.841 119.914 -0.041 0.000 2.966 31 V HA 0.636 4.755 4.120 -0.001 0.000 0.317 31 V C -0.507 175.635 176.094 0.079 0.000 1.070 31 V CA -0.870 61.425 62.300 -0.009 0.000 1.008 31 V CB 1.630 33.407 31.823 -0.077 0.000 1.070 31 V HN 0.794 nan 8.190 nan 0.000 0.457 32 Q N 1.210 121.072 119.800 0.104 0.000 2.340 32 Q HA 0.461 4.801 4.340 -0.001 0.000 0.268 32 Q C -0.813 175.276 176.000 0.148 0.000 1.031 32 Q CA -0.312 55.565 55.803 0.123 0.000 0.804 32 Q CB 2.049 30.828 28.738 0.068 0.000 1.286 32 Q HN 0.857 nan 8.270 nan 0.000 0.448 33 K N 1.249 121.732 120.400 0.139 0.000 2.174 33 K HA 0.449 4.768 4.320 -0.001 0.000 0.275 33 K C -0.434 176.181 176.600 0.027 0.000 1.015 33 K CA -0.181 56.149 56.287 0.072 0.000 0.933 33 K CB 1.236 33.697 32.500 -0.064 0.000 1.025 33 K HN 0.663 nan 8.250 nan 0.000 0.463 34 T N 0.877 115.443 114.554 0.020 0.000 2.936 34 T HA 0.128 4.478 4.350 -0.001 0.000 0.282 34 T C 1.140 175.834 174.700 -0.010 0.000 1.003 34 T CA -0.603 61.502 62.100 0.009 0.000 1.005 34 T CB 1.259 70.138 68.868 0.018 0.000 1.097 34 T HN 0.615 nan 8.240 nan 0.000 0.532 35 K N 0.628 121.022 120.400 -0.010 0.000 2.152 35 K HA -0.088 4.232 4.320 -0.001 0.000 0.206 35 K C 1.405 177.993 176.600 -0.020 0.000 1.048 35 K CA 1.407 57.683 56.287 -0.019 0.000 0.933 35 K CB 0.045 32.536 32.500 -0.015 0.000 0.721 35 K HN 0.554 nan 8.250 nan 0.000 0.447 36 E N -0.229 119.965 120.200 -0.010 0.000 2.371 36 E HA -0.052 4.297 4.350 -0.001 0.000 0.194 36 E C 1.159 177.755 176.600 -0.006 0.000 1.012 36 E CA 1.056 57.452 56.400 -0.007 0.000 0.860 36 E CB 0.430 30.131 29.700 0.002 0.000 0.811 36 E HN 0.456 nan 8.360 nan 0.000 0.502 37 T N -3.198 111.351 114.554 -0.007 0.000 3.200 37 T HA 0.146 4.496 4.350 -0.001 0.000 0.284 37 T C 1.332 176.003 174.700 -0.048 0.000 1.009 37 T CA -0.346 61.752 62.100 -0.005 0.000 0.907 37 T CB 0.604 69.490 68.868 0.030 0.000 1.120 37 T HN -0.082 nan 8.240 nan 0.000 0.534 38 Q N 1.575 121.335 119.800 -0.066 0.000 2.135 38 Q HA -0.109 4.230 4.340 -0.001 0.000 0.204 38 Q C 1.793 177.707 176.000 -0.144 0.000 0.981 38 Q CA 1.727 57.463 55.803 -0.112 0.000 0.856 38 Q CB -0.321 28.365 28.738 -0.086 0.000 0.902 38 Q HN 0.558 nan 8.270 nan 0.000 0.425 39 S N -0.215 115.424 115.700 -0.102 0.000 2.555 39 S HA 0.013 4.482 4.470 -0.001 0.000 0.230 39 S C 0.491 175.034 174.600 -0.095 0.000 0.978 39 S CA -0.067 58.074 58.200 -0.097 0.000 0.934 39 S CB 0.092 63.249 63.200 -0.071 0.000 0.766 39 S HN 0.151 nan 8.310 nan 0.000 0.533 40 V N 2.750 122.604 119.914 -0.100 0.000 2.872 40 V HA 0.038 4.157 4.120 -0.001 0.000 0.307 40 V C 0.467 176.488 176.094 -0.122 0.000 1.072 40 V CA -0.058 62.208 62.300 -0.056 0.000 1.148 40 V CB 0.635 32.473 31.823 0.024 0.000 0.954 40 V HN 0.245 nan 8.190 nan 0.000 0.490 41 D N 3.318 123.713 120.400 -0.008 0.000 2.392 41 D HA 0.274 4.914 4.640 -0.001 0.000 0.228 41 D C -0.641 175.786 176.300 0.212 0.000 1.074 41 D CA -0.274 53.737 54.000 0.018 0.000 0.838 41 D CB 0.545 41.357 40.800 0.020 0.000 1.067 41 D HN 0.385 nan 8.370 nan 0.000 0.511 42 F N 3.344 123.283 119.950 -0.017 0.000 2.424 42 F HA 0.244 4.771 4.527 -0.001 0.000 0.356 42 F C 1.203 176.996 175.800 -0.011 0.000 1.110 42 F CA -0.475 57.516 58.000 -0.016 0.000 1.161 42 F CB 1.103 40.097 39.000 -0.010 0.000 1.115 42 F HN -0.073 nan 8.300 nan 0.000 0.507 43 K N 3.511 124.004 120.400 0.154 0.000 2.378 43 K HA 0.233 4.552 4.320 -0.001 0.000 0.252 43 K C -0.931 175.693 176.600 0.042 0.000 0.931 43 K CA -0.663 55.674 56.287 0.083 0.000 0.794 43 K CB 2.538 35.073 32.500 0.059 0.000 1.181 43 K HN 0.645 nan 8.250 nan 0.000 0.425 44 E N 2.335 122.557 120.200 0.038 0.000 2.156 44 E HA 0.055 4.405 4.350 -0.001 0.000 0.279 44 E C -0.722 175.892 176.600 0.022 0.000 0.965 44 E CA -0.385 56.027 56.400 0.020 0.000 0.789 44 E CB 1.065 30.778 29.700 0.021 0.000 1.098 44 E HN 0.449 nan 8.360 nan 0.000 0.397 45 E N 3.283 123.493 120.200 0.017 0.000 2.694 45 E HA 0.005 4.354 4.350 -0.001 0.000 0.250 45 E C -0.628 175.987 176.600 0.026 0.000 0.963 45 E CA -0.111 56.305 56.400 0.026 0.000 0.949 45 E CB 0.460 30.172 29.700 0.020 0.000 0.911 45 E HN 0.553 nan 8.360 nan 0.000 0.500 46 A N 3.685 126.526 122.820 0.035 0.000 2.386 46 A HA 0.432 4.751 4.320 -0.001 0.000 0.246 46 A C 1.117 178.718 177.584 0.028 0.000 1.089 46 A CA 0.255 52.311 52.037 0.032 0.000 0.790 46 A CB 0.015 19.038 19.000 0.038 0.000 1.042 46 A HN 1.207 nan 8.150 nan 0.000 0.497 47 G N 0.199 109.013 108.800 0.023 0.000 2.338 47 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.296 47 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.296 47 G C 0.432 175.339 174.900 0.011 0.000 1.040 47 G CA 0.710 45.821 45.100 0.018 0.000 1.004 47 G HN 0.869 nan 8.290 nan 0.000 0.509 48 R N -1.438 119.067 120.500 0.009 0.000 2.504 48 R HA 0.090 4.430 4.340 -0.001 0.000 0.341 48 R C 0.378 176.680 176.300 0.002 0.000 0.905 48 R CA -0.652 55.450 56.100 0.003 0.000 1.133 48 R CB 0.550 30.850 30.300 0.000 0.000 1.704 48 R HN 0.134 nan 8.270 nan 0.000 0.503 49 R N 1.650 122.153 120.500 0.005 0.000 2.235 49 R HA 0.159 4.499 4.340 -0.001 0.000 0.338 49 R C -0.420 175.883 176.300 0.005 0.000 1.087 49 R CA -0.217 55.886 56.100 0.005 0.000 0.948 49 R CB 0.488 30.793 30.300 0.008 0.000 1.099 49 R HN 0.004 nan 8.270 nan 0.000 0.483 50 N N 1.820 120.521 118.700 0.003 0.000 3.114 50 N HA 0.192 4.932 4.740 -0.001 0.000 0.289 50 N C 0.574 176.086 175.510 0.002 0.000 1.519 50 N CA 0.682 53.734 53.050 0.002 0.000 1.026 50 N CB 0.437 38.924 38.487 0.001 0.000 1.306 50 N HN 0.805 nan 8.380 nan 0.000 0.495 51 G N 2.137 110.939 108.800 0.004 0.000 2.536 51 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.277 51 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.277 51 G C -1.196 173.706 174.900 0.003 0.000 1.155 51 G CA 0.136 45.238 45.100 0.004 0.000 0.960 51 G HN 0.443 nan 8.290 nan 0.000 0.544 52 P HA 0.080 nan 4.420 nan 0.000 0.216 52 P C 1.093 178.393 177.300 0.001 0.000 1.156 52 P CA 1.672 64.773 63.100 0.002 0.000 0.855 52 P CB -0.198 31.503 31.700 0.001 0.000 0.786 53 Q N 1.217 121.017 119.800 -0.000 0.000 2.318 53 Q HA 0.455 4.794 4.340 -0.001 0.000 0.222 53 Q C 0.086 176.085 176.000 -0.002 0.000 1.003 53 Q CA -0.722 55.080 55.803 -0.002 0.000 0.936 53 Q CB 0.837 29.574 28.738 -0.002 0.000 1.204 53 Q HN 0.233 nan 8.270 nan 0.000 0.524 54 I N -1.787 118.781 120.570 -0.004 0.000 2.499 54 I HA 0.456 4.625 4.170 -0.001 0.000 0.288 54 I C -0.563 175.550 176.117 -0.007 0.000 1.048 54 I CA -1.282 60.015 61.300 -0.004 0.000 1.062 54 I CB 1.985 39.982 38.000 -0.005 0.000 1.238 54 I HN 0.513 nan 8.210 nan 0.000 0.426 55 E N 6.199 126.395 120.200 -0.007 0.000 2.438 55 E HA 0.173 4.523 4.350 -0.001 0.000 0.261 55 E C -2.194 174.398 176.600 -0.013 0.000 1.103 55 E CA -1.083 55.311 56.400 -0.010 0.000 0.959 55 E CB 0.254 29.948 29.700 -0.010 0.000 0.958 55 E HN 0.521 nan 8.360 nan 0.000 0.447 56 P HA 0.089 nan 4.420 nan 0.000 0.272 56 P C -0.043 177.242 177.300 -0.025 0.000 1.223 56 P CA -0.290 62.798 63.100 -0.020 0.000 0.784 56 P CB 0.564 32.252 31.700 -0.020 0.000 0.923 57 G N 2.440 111.225 108.800 -0.026 0.000 2.432 57 G HA2 0.285 4.244 3.960 -0.001 0.000 0.257 57 G HA3 0.285 4.244 3.960 -0.001 0.000 0.257 57 G C -0.200 174.671 174.900 -0.049 0.000 1.238 57 G CA -0.428 44.652 45.100 -0.033 0.000 0.838 57 G HN 0.342 nan 8.290 nan 0.000 0.547 58 K N 1.923 122.282 120.400 -0.068 0.000 2.238 58 K HA 0.349 4.668 4.320 -0.001 0.000 0.239 58 K C -1.540 174.976 176.600 -0.141 0.000 0.987 58 K CA -1.872 54.354 56.287 -0.102 0.000 0.857 58 K CB 2.773 35.202 32.500 -0.119 0.000 1.154 58 K HN 0.211 nan 8.250 nan 0.000 0.439 59 P HA -0.060 nan 4.420 nan 0.000 0.220 59 P C -0.460 176.562 177.300 -0.463 0.000 1.152 59 P CA 1.184 64.150 63.100 -0.223 0.000 0.812 59 P CB 0.666 32.254 31.700 -0.186 0.000 0.792 60 E N -0.137 119.683 120.200 -0.633 0.000 2.238 60 E HA 0.444 4.793 4.350 -0.001 0.000 0.267 60 E C -0.577 175.621 176.600 -0.671 0.000 0.887 60 E CA -0.584 55.075 56.400 -1.234 0.000 0.769 60 E CB 1.708 30.682 29.700 -1.210 0.000 1.187 60 E HN -0.016 nan 8.360 nan 0.000 0.416 61 N N 3.466 121.830 118.700 -0.559 0.000 2.969 61 N HA 0.088 4.827 4.740 -0.001 0.000 0.230 61 N C -2.218 173.487 175.510 0.324 0.000 1.397 61 N CA -1.224 51.809 53.050 -0.028 0.000 0.762 61 N CB 1.030 39.516 38.487 -0.001 0.000 1.495 61 N HN 0.233 nan 8.380 nan 0.000 0.583 62 P HA -0.208 nan 4.420 nan 0.000 0.218 62 P C 0.860 178.271 177.300 0.184 0.000 1.146 62 P CA 1.171 64.475 63.100 0.340 0.000 0.813 62 P CB 0.486 32.329 31.700 0.239 0.000 0.778 63 E N 0.374 120.655 120.200 0.135 0.000 2.028 63 E HA -0.126 4.223 4.350 -0.001 0.000 0.191 63 E C 2.161 178.814 176.600 0.088 0.000 0.988 63 E CA 1.151 57.603 56.400 0.086 0.000 0.799 63 E CB -0.504 29.232 29.700 0.060 0.000 0.755 63 E HN 0.115 nan 8.360 nan 0.000 0.447 64 A N 1.125 124.010 122.820 0.107 0.000 1.972 64 A HA -0.069 4.250 4.320 -0.001 0.000 0.219 64 A C 2.349 180.000 177.584 0.111 0.000 1.169 64 A CA 1.645 53.742 52.037 0.100 0.000 0.635 64 A CB -0.692 18.371 19.000 0.105 0.000 0.810 64 A HN 0.425 nan 8.150 nan 0.000 0.446 65 A N 0.251 123.168 122.820 0.161 0.000 1.883 65 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 65 A C 1.831 179.428 177.584 0.022 0.000 1.186 65 A CA 1.994 54.080 52.037 0.083 0.000 0.624 65 A CB -0.631 18.384 19.000 0.025 0.000 0.822 65 A HN 0.464 nan 8.150 nan 0.000 0.444 66 D N -0.317 120.103 120.400 0.033 0.000 2.095 66 D HA -0.142 4.497 4.640 -0.001 0.000 0.192 66 D C 1.939 178.247 176.300 0.014 0.000 0.990 66 D CA 1.628 55.635 54.000 0.012 0.000 0.836 66 D CB -0.366 40.446 40.800 0.020 0.000 0.979 66 D HN 0.204 nan 8.370 nan 0.000 0.447 67 K N 0.179 120.595 120.400 0.027 0.000 2.052 67 K HA -0.153 4.167 4.320 -0.001 0.000 0.215 67 K C 2.121 178.735 176.600 0.023 0.000 1.053 67 K CA 0.738 57.040 56.287 0.025 0.000 0.934 67 K CB -0.753 31.766 32.500 0.032 0.000 0.717 67 K HN 0.052 nan 8.250 nan 0.000 0.450 68 L N -0.047 121.193 121.223 0.029 0.000 2.131 68 L HA -0.139 4.201 4.340 -0.001 0.000 0.210 68 L C 2.170 179.048 176.870 0.013 0.000 1.092 68 L CA 1.813 56.669 54.840 0.026 0.000 0.759 68 L CB -0.833 41.248 42.059 0.036 0.000 0.903 68 L HN 0.208 nan 8.230 nan 0.000 0.435 69 A N -0.555 122.266 122.820 0.001 0.000 1.877 69 A HA -0.239 4.081 4.320 -0.001 0.000 0.216 69 A C 2.055 179.634 177.584 -0.007 0.000 1.186 69 A CA 1.986 54.015 52.037 -0.014 0.000 0.620 69 A CB -0.664 18.315 19.000 -0.034 0.000 0.822 69 A HN 0.380 nan 8.150 nan 0.000 0.443 70 D N -0.648 119.750 120.400 -0.003 0.000 2.087 70 D HA -0.171 4.468 4.640 -0.001 0.000 0.192 70 D C 1.907 178.215 176.300 0.013 0.000 0.993 70 D CA 1.778 55.779 54.000 0.001 0.000 0.828 70 D CB -0.502 40.300 40.800 0.004 0.000 0.968 70 D HN 0.555 nan 8.370 nan 0.000 0.448 71 E N 0.546 120.758 120.200 0.020 0.000 2.097 71 E HA -0.156 4.193 4.350 -0.001 0.000 0.196 71 E C 2.054 178.672 176.600 0.031 0.000 1.000 71 E CA 0.891 57.308 56.400 0.028 0.000 0.804 71 E CB -0.231 29.486 29.700 0.028 0.000 0.740 71 E HN 0.057 nan 8.360 nan 0.000 0.454 72 V N 0.633 120.562 119.914 0.024 0.000 2.407 72 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 72 V C 2.335 178.450 176.094 0.035 0.000 1.055 72 V CA 1.771 64.089 62.300 0.029 0.000 1.049 72 V CB -0.961 30.876 31.823 0.024 0.000 0.662 72 V HN 0.469 nan 8.190 nan 0.000 0.455 73 A N -1.503 121.330 122.820 0.022 0.000 1.902 73 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 73 A C 1.705 179.317 177.584 0.048 0.000 1.181 73 A CA 1.258 53.304 52.037 0.016 0.000 0.623 73 A CB -0.755 18.238 19.000 -0.012 0.000 0.818 73 A HN 0.549 nan 8.150 nan 0.000 0.443 77 N N 1.176 120.017 118.700 0.234 0.000 2.244 77 N HA -0.048 4.691 4.740 -0.001 0.000 0.183 77 N C 1.044 176.958 175.510 0.674 0.000 1.016 77 N CA 1.706 55.029 53.050 0.454 0.000 0.866 77 N CB -0.348 38.316 38.487 0.296 0.000 0.980 77 N HN 0.616 nan 8.380 nan 0.000 0.430 78 T N 3.445 118.234 114.554 0.392 0.000 2.814 78 T HA 0.158 4.508 4.350 -0.001 0.000 0.297 78 T C -2.615 172.111 174.700 0.043 0.000 0.956 78 T CA -1.799 60.407 62.100 0.176 0.000 1.123 78 T CB 1.035 69.876 68.868 -0.045 0.000 0.902 78 T HN -0.007 nan 8.240 nan 0.000 0.528 79 P HA 0.152 nan 4.420 nan 0.000 0.261 79 P C 0.988 178.252 177.300 -0.061 0.000 1.173 79 P CA 0.984 64.038 63.100 -0.076 0.000 0.760 79 P CB 0.300 31.920 31.700 -0.133 0.000 0.783 80 G N 1.814 110.604 108.800 -0.017 0.000 2.195 80 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.246 80 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.246 80 G C 0.638 175.547 174.900 0.016 0.000 0.984 80 G CA 0.239 45.334 45.100 -0.007 0.000 0.633 80 G HN 0.981 nan 8.290 nan 0.000 0.525 81 G N -0.793 108.025 108.800 0.030 0.000 2.598 81 G HA2 0.424 4.383 3.960 -0.001 0.000 0.269 81 G HA3 0.424 4.383 3.960 -0.001 0.000 0.269 81 G C 1.129 176.052 174.900 0.038 0.000 1.289 81 G CA 1.108 46.239 45.100 0.051 0.000 0.926 81 G HN 2.629 nan 8.290 nan 0.000 0.567 82 G N -2.622 106.214 108.800 0.060 0.000 2.349 82 G HA2 0.823 4.783 3.960 -0.001 0.000 0.294 82 G HA3 0.823 4.783 3.960 -0.001 0.000 0.294 82 G C -0.765 174.179 174.900 0.073 0.000 1.380 82 G CA 0.789 45.922 45.100 0.055 0.000 0.811 82 G HN 2.400 nan 8.290 nan 0.000 0.519 83 A N -0.736 122.114 122.820 0.049 0.000 2.365 83 A HA 0.862 5.181 4.320 -0.001 0.000 0.318 83 A C -1.332 176.221 177.584 -0.052 0.000 1.091 83 A CA -0.495 51.524 52.037 -0.029 0.000 0.763 83 A CB 1.593 20.591 19.000 -0.004 0.000 1.248 83 A HN 0.857 nan 8.150 nan 0.000 0.442 84 L N 1.873 123.031 121.223 -0.108 0.000 2.346 84 L HA 0.560 4.899 4.340 -0.001 0.000 0.274 84 L C -0.406 176.427 176.870 -0.062 0.000 1.007 84 L CA 0.009 54.828 54.840 -0.035 0.000 0.818 84 L CB 1.696 43.743 42.059 -0.020 0.000 1.284 84 L HN 0.608 nan 8.230 nan 0.000 0.424 85 I N 3.506 124.093 120.570 0.029 0.000 2.371 85 I HA 0.287 4.456 4.170 -0.001 0.000 0.282 85 I C -0.605 175.495 176.117 -0.028 0.000 1.031 85 I CA -0.754 60.530 61.300 -0.026 0.000 1.180 85 I CB 1.260 39.234 38.000 -0.043 0.000 1.336 85 I HN 0.189 nan 8.210 nan 0.000 0.467 86 V N 5.282 125.176 119.914 -0.034 0.000 2.455 86 V HA 0.532 4.652 4.120 -0.001 0.000 0.273 86 V C 1.108 177.179 176.094 -0.038 0.000 1.045 86 V CA 0.239 62.529 62.300 -0.017 0.000 0.976 86 V CB 0.578 32.401 31.823 0.001 0.000 0.993 86 V HN 1.101 nan 8.190 nan 0.000 0.475 87 G N 4.599 113.373 108.800 -0.044 0.000 2.273 87 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.162 87 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.162 87 G C -0.337 174.505 174.900 -0.096 0.000 1.006 87 G CA -0.417 44.649 45.100 -0.058 0.000 0.704 87 G HN 0.559 nan 8.290 nan 0.000 0.487 88 I N 1.092 121.584 120.570 -0.129 0.000 2.498 88 I HA 0.380 4.549 4.170 -0.001 0.000 0.290 88 I C 0.395 176.460 176.117 -0.086 0.000 1.032 88 I CA -0.867 60.310 61.300 -0.204 0.000 1.073 88 I CB 2.095 39.776 38.000 -0.533 0.000 1.251 88 I HN 0.111 nan 8.210 nan 0.000 0.426 89 E N 3.206 123.381 120.200 -0.042 0.000 2.422 89 E HA -0.052 4.297 4.350 -0.001 0.000 0.260 89 E C -0.849 175.829 176.600 0.131 0.000 1.108 89 E CA -0.073 56.348 56.400 0.035 0.000 0.943 89 E CB 0.772 30.488 29.700 0.026 0.000 0.961 89 E HN 0.458 nan 8.360 nan 0.000 0.443 90 D N 1.742 122.217 120.400 0.124 0.000 2.264 90 D HA 0.110 4.750 4.640 -0.001 0.000 0.250 90 D C -0.047 176.324 176.300 0.118 0.000 1.113 90 D CA 0.305 54.394 54.000 0.150 0.000 0.871 90 D CB 0.488 41.341 40.800 0.090 0.000 1.167 90 D HN 0.566 nan 8.370 nan 0.000 0.447 91 K N 0.368 120.837 120.400 0.116 0.000 4.018 91 K HA -0.298 4.022 4.320 -0.001 0.000 0.416 91 K C 1.632 178.289 176.600 0.096 0.000 0.464 91 K CA 1.887 58.213 56.287 0.064 0.000 1.816 91 K CB -1.670 30.851 32.500 0.035 0.000 0.928 91 K HN 0.654 nan 8.250 nan 0.000 0.497 92 T N -2.619 111.999 114.554 0.106 0.000 2.809 92 T HA 0.143 4.492 4.350 -0.001 0.000 0.260 92 T C 1.542 176.319 174.700 0.128 0.000 1.039 92 T CA 1.885 64.039 62.100 0.089 0.000 1.141 92 T CB 0.092 68.994 68.868 0.057 0.000 0.869 92 T HN 0.973 nan 8.240 nan 0.000 0.437 93 G N 2.525 111.427 108.800 0.171 0.000 2.132 93 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.234 93 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.234 93 G C 0.077 174.953 174.900 -0.040 0.000 0.989 93 G CA -0.027 45.150 45.100 0.129 0.000 0.676 93 G HN 1.027 nan 8.290 nan 0.000 0.522 94 R N 0.116 120.605 120.500 -0.019 0.000 2.438 94 R HA 0.590 4.930 4.340 -0.001 0.000 0.287 94 R C 0.395 176.649 176.300 -0.076 0.000 1.077 94 R CA -0.852 55.225 56.100 -0.039 0.000 1.034 94 R CB 1.026 31.318 30.300 -0.013 0.000 0.993 94 R HN 0.085 nan 8.270 nan 0.000 0.459 95 I N 4.620 125.142 120.570 -0.079 0.000 2.587 95 I HA -0.073 4.096 4.170 -0.001 0.000 0.284 95 I C 1.247 177.329 176.117 -0.059 0.000 1.134 95 I CA -0.008 61.240 61.300 -0.087 0.000 1.410 95 I CB 0.045 38.001 38.000 -0.073 0.000 1.392 95 I HN 0.800 nan 8.210 nan 0.000 0.545 96 I N 3.616 124.150 120.570 -0.060 0.000 3.300 96 I HA 0.268 4.438 4.170 -0.001 0.000 0.279 96 I C 1.147 177.242 176.117 -0.036 0.000 1.172 96 I CA 0.692 61.969 61.300 -0.039 0.000 1.431 96 I CB -0.387 37.595 38.000 -0.030 0.000 1.240 96 I HN 0.764 nan 8.210 nan 0.000 0.453 97 G N 1.330 110.104 108.800 -0.043 0.000 2.662 97 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.686 97 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.686 97 G C -0.475 174.410 174.900 -0.024 0.000 1.271 97 G CA -0.543 44.537 45.100 -0.034 0.000 0.816 97 G HN 0.158 nan 8.290 nan 0.000 0.608 98 T N 0.759 115.302 114.554 -0.019 0.000 3.193 98 T HA 0.518 4.867 4.350 -0.001 0.000 0.332 98 T C 0.075 174.769 174.700 -0.009 0.000 1.208 98 T CA -0.607 61.487 62.100 -0.010 0.000 1.080 98 T CB 1.882 70.750 68.868 0.000 0.000 1.180 98 T HN 0.532 nan 8.240 nan 0.000 0.469 99 E N 1.768 121.959 120.200 -0.015 0.000 2.465 99 E HA 0.201 4.551 4.350 -0.001 0.000 0.195 99 E C 0.488 177.075 176.600 -0.021 0.000 1.028 99 E CA -0.170 56.218 56.400 -0.020 0.000 0.899 99 E CB 0.371 30.051 29.700 -0.034 0.000 1.032 99 E HN 0.573 nan 8.360 nan 0.000 0.468 100 L N 1.923 123.146 121.223 0.000 0.000 2.543 100 L HA -0.043 4.296 4.340 -0.001 0.000 0.285 100 L C 0.945 177.851 176.870 0.060 0.000 1.236 100 L CA 0.554 55.411 54.840 0.030 0.000 0.871 100 L CB 0.244 42.368 42.059 0.108 0.000 1.121 100 L HN -0.067 nan 8.230 nan 0.000 0.501 101 D N 3.250 123.698 120.400 0.080 0.000 2.317 101 D HA 0.045 4.685 4.640 -0.001 0.000 0.252 101 D C 1.210 177.628 176.300 0.198 0.000 1.174 101 D CA -0.524 53.546 54.000 0.117 0.000 0.866 101 D CB 1.062 41.920 40.800 0.098 0.000 1.127 101 D HN 0.312 nan 8.370 nan 0.000 0.467 102 I N 3.628 124.274 120.570 0.127 0.000 2.053 102 I HA -0.325 3.845 4.170 -0.001 0.000 0.236 102 I C 1.763 177.953 176.117 0.121 0.000 1.038 102 I CA 1.399 62.765 61.300 0.110 0.000 1.304 102 I CB -0.914 37.130 38.000 0.073 0.000 1.023 102 I HN 0.502 nan 8.210 nan 0.000 0.395 103 D N -0.499 119.969 120.400 0.112 0.000 2.158 103 D HA -0.248 4.391 4.640 -0.001 0.000 0.197 103 D C 1.913 178.290 176.300 0.128 0.000 0.995 103 D CA 1.257 55.313 54.000 0.094 0.000 0.846 103 D CB -0.387 40.462 40.800 0.082 0.000 0.941 103 D HN 0.550 nan 8.370 nan 0.000 0.456 104 W N 1.163 122.471 121.300 0.013 0.000 2.378 104 W HA -0.142 4.518 4.660 -0.001 0.000 0.313 104 W C 2.154 178.689 176.519 0.027 0.000 1.197 104 W CA 0.821 58.178 57.345 0.019 0.000 1.304 104 W CB -0.623 28.846 29.460 0.015 0.000 1.148 104 W HN -0.042 nan 8.180 nan 0.000 0.494 105 L N 1.650 123.000 121.223 0.211 0.000 1.989 105 L HA -0.175 4.164 4.340 -0.001 0.000 0.211 105 L C 2.594 179.392 176.870 -0.121 0.000 1.071 105 L CA 2.230 57.064 54.840 -0.011 0.000 0.749 105 L CB -1.259 40.916 42.059 0.192 0.000 0.890 105 L HN -0.015 nan 8.230 nan 0.000 0.431 106 R N -0.990 119.496 120.500 -0.024 0.000 2.112 106 R HA -0.285 4.055 4.340 -0.001 0.000 0.242 106 R C 2.334 178.610 176.300 -0.040 0.000 1.137 106 R CA 2.058 58.146 56.100 -0.020 0.000 0.944 106 R CB -0.537 29.759 30.300 -0.006 0.000 0.857 106 R HN 0.510 nan 8.270 nan 0.000 0.435 107 Q N -0.071 119.675 119.800 -0.090 0.000 2.030 107 Q HA -0.130 4.210 4.340 -0.001 0.000 0.204 107 Q C 1.967 177.896 176.000 -0.117 0.000 0.986 107 Q CA 2.261 58.023 55.803 -0.069 0.000 0.843 107 Q CB -0.863 27.808 28.738 -0.112 0.000 0.904 107 Q HN 0.362 nan 8.270 nan 0.000 0.420 108 G N 0.983 109.543 108.800 -0.399 0.000 2.553 108 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.218 108 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.218 108 G C 1.518 176.276 174.900 -0.236 0.000 1.195 108 G CA 1.374 46.190 45.100 -0.473 0.000 0.779 108 G HN 0.445 nan 8.290 nan 0.000 0.577 109 I N -0.263 120.208 120.570 -0.166 0.000 2.099 109 I HA -0.164 4.006 4.170 -0.001 0.000 0.239 109 I C 2.471 178.572 176.117 -0.026 0.000 1.066 109 I CA 1.465 62.721 61.300 -0.074 0.000 1.324 109 I CB -0.461 37.524 38.000 -0.024 0.000 1.037 109 I HN 0.186 nan 8.210 nan 0.000 0.401 110 F N 2.070 121.955 119.950 -0.109 0.000 2.115 110 F HA -0.323 4.204 4.527 -0.001 0.000 0.300 110 F C 2.502 178.249 175.800 -0.088 0.000 1.092 110 F CA 2.352 60.301 58.000 -0.084 0.000 1.245 110 F CB -0.796 38.157 39.000 -0.079 0.000 0.995 110 F HN -0.006 nan 8.300 nan 0.000 0.481 111 T N 1.509 115.954 114.554 -0.181 0.000 2.867 111 T HA -0.154 4.195 4.350 -0.001 0.000 0.268 111 T C 1.857 176.398 174.700 -0.266 0.000 1.057 111 T CA 1.508 63.446 62.100 -0.271 0.000 1.136 111 T CB -0.302 68.496 68.868 -0.116 0.000 0.874 111 T HN 0.435 nan 8.240 nan 0.000 0.466 112 R N 0.000 120.380 120.500 -0.201 0.000 2.334 112 R HA 0.341 4.680 4.340 -0.001 0.000 0.212 112 R C 1.228 177.437 176.300 -0.152 0.000 0.897 112 R CA 0.225 56.231 56.100 -0.157 0.000 1.056 112 R CB -0.141 30.092 30.300 -0.111 0.000 1.046 112 R HN 0.381 nan 8.270 nan 0.000 0.513 113 I N 0.787 121.250 120.570 -0.178 0.000 4.557 113 I HA 0.194 4.364 4.170 -0.001 0.000 0.333 113 I C -0.859 175.156 176.117 -0.170 0.000 1.332 113 I CA 0.213 61.432 61.300 -0.136 0.000 1.240 113 I CB 0.763 38.718 38.000 -0.076 0.000 1.312 113 I HN -0.027 nan 8.210 nan 0.000 0.457 114 D N 0.585 120.793 120.400 -0.320 0.000 3.041 114 D HA -0.133 4.507 4.640 -0.001 0.000 0.220 114 D C -0.214 176.008 176.300 -0.129 0.000 1.157 114 D CA 1.291 55.044 54.000 -0.411 0.000 0.876 114 D CB -1.282 39.370 40.800 -0.246 0.000 1.107 114 D HN 0.247 nan 8.370 nan 0.000 0.422 115 V N -1.249 118.681 119.914 0.027 0.000 2.777 115 V HA 0.771 4.890 4.120 -0.001 0.000 0.306 115 V C -1.450 174.803 176.094 0.266 0.000 1.112 115 V CA -0.101 62.319 62.300 0.200 0.000 0.917 115 V CB 2.189 34.066 31.823 0.090 0.000 1.018 115 V HN 0.242 nan 8.190 nan 0.000 0.426 116 A N 8.324 131.296 122.820 0.254 0.000 2.508 116 A HA 0.837 5.157 4.320 -0.001 0.000 0.336 116 A C -2.350 175.278 177.584 0.073 0.000 1.360 116 A CA -1.419 50.697 52.037 0.132 0.000 0.841 116 A CB 0.361 19.357 19.000 -0.005 0.000 1.136 116 A HN 0.775 nan 8.150 nan 0.000 0.489 117 P HA 0.147 nan 4.420 nan 0.000 0.271 117 P C -0.929 176.420 177.300 0.081 0.000 1.216 117 P CA -0.149 62.998 63.100 0.079 0.000 0.776 117 P CB 0.891 32.633 31.700 0.071 0.000 0.881 118 D N 1.321 121.790 120.400 0.114 0.000 2.382 118 D HA 0.089 4.728 4.640 -0.001 0.000 0.259 118 D C -0.178 176.225 176.300 0.171 0.000 1.224 118 D CA 0.325 54.406 54.000 0.134 0.000 0.894 118 D CB 1.056 41.947 40.800 0.153 0.000 1.127 118 D HN 0.045 nan 8.370 nan 0.000 0.487 119 V N 3.985 123.965 119.914 0.111 0.000 2.378 119 V HA 0.390 4.510 4.120 -0.001 0.000 0.288 119 V C -0.369 175.782 176.094 0.094 0.000 1.016 119 V CA -0.579 61.769 62.300 0.079 0.000 0.840 119 V CB 1.519 33.369 31.823 0.044 0.000 0.994 119 V HN 0.316 nan 8.190 nan 0.000 0.431 120 V N 4.827 124.808 119.914 0.113 0.000 2.715 120 V HA 1.012 5.132 4.120 -0.001 0.000 0.310 120 V C 0.238 176.373 176.094 0.067 0.000 1.054 120 V CA -0.269 62.099 62.300 0.112 0.000 0.928 120 V CB 1.521 33.454 31.823 0.184 0.000 1.007 120 V HN 1.340 nan 8.190 nan 0.000 0.437 121 A N 3.795 126.647 122.820 0.054 0.000 2.310 121 A HA 0.862 5.182 4.320 -0.001 0.000 0.299 121 A C -0.040 177.564 177.584 0.033 0.000 1.147 121 A CA -0.623 51.434 52.037 0.034 0.000 0.818 121 A CB 0.671 19.688 19.000 0.028 0.000 1.096 121 A HN 0.881 nan 8.150 nan 0.000 0.495 122 K N 0.779 121.189 120.400 0.018 0.000 2.509 122 K HA 0.589 4.908 4.320 -0.001 0.000 0.266 122 K C -1.174 175.426 176.600 0.000 0.000 0.987 122 K CA -0.661 55.635 56.287 0.016 0.000 0.868 122 K CB 2.433 34.943 32.500 0.017 0.000 1.421 122 K HN 0.743 nan 8.250 nan 0.000 0.444 123 R N 0.685 121.185 120.500 -0.001 0.000 2.514 123 R HA 0.308 4.647 4.340 -0.001 0.000 0.296 123 R C 0.722 177.015 176.300 -0.012 0.000 1.012 123 R CA -0.450 55.644 56.100 -0.009 0.000 0.897 123 R CB 1.532 31.829 30.300 -0.005 0.000 1.184 123 R HN 0.509 nan 8.270 nan 0.000 0.440 124 V N 1.054 120.954 119.914 -0.023 0.000 3.458 124 V HA 0.269 4.388 4.120 -0.001 0.000 0.166 124 V C 0.886 176.968 176.094 -0.020 0.000 1.224 124 V CA -0.213 62.072 62.300 -0.025 0.000 1.448 124 V CB -0.125 31.672 31.823 -0.043 0.000 1.279 124 V HN 0.473 nan 8.190 nan 0.000 0.446 125 L N 2.138 123.347 121.223 -0.024 0.000 2.930 125 L HA 0.362 4.701 4.340 -0.001 0.000 0.250 125 L C 1.604 178.465 176.870 -0.016 0.000 1.320 125 L CA 1.295 56.124 54.840 -0.018 0.000 1.163 125 L CB -1.478 40.569 42.059 -0.020 0.000 1.542 125 L HN 1.139 nan 8.230 nan 0.000 0.428 126 G N -0.963 107.829 108.800 -0.015 0.000 2.176 126 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.253 126 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.253 126 G C 0.495 175.385 174.900 -0.016 0.000 0.979 126 G CA -0.235 44.857 45.100 -0.013 0.000 0.641 126 G HN 0.408 nan 8.290 nan 0.000 0.530 127 Q N -0.060 119.727 119.800 -0.021 0.000 2.227 127 Q HA 0.534 4.873 4.340 -0.001 0.000 0.245 127 Q C 0.455 176.440 176.000 -0.025 0.000 0.926 127 Q CA -0.576 55.212 55.803 -0.025 0.000 0.895 127 Q CB 1.345 30.063 28.738 -0.034 0.000 1.230 127 Q HN 0.531 nan 8.270 nan 0.000 0.450 128 R N 0.854 121.340 120.500 -0.023 0.000 2.297 128 R HA 0.523 4.863 4.340 -0.001 0.000 0.308 128 R C -0.743 175.541 176.300 -0.026 0.000 1.029 128 R CA -0.374 55.715 56.100 -0.019 0.000 0.929 128 R CB 0.635 30.928 30.300 -0.012 0.000 1.046 128 R HN 0.447 nan 8.270 nan 0.000 0.461 129 V N 1.786 121.684 119.914 -0.026 0.000 2.925 129 V HA 0.548 4.667 4.120 -0.001 0.000 0.311 129 V C -1.403 174.676 176.094 -0.025 0.000 1.104 129 V CA -1.275 61.003 62.300 -0.036 0.000 0.954 129 V CB 1.922 33.707 31.823 -0.064 0.000 1.022 129 V HN 0.498 nan 8.190 nan 0.000 0.427 130 L N 3.363 124.570 121.223 -0.026 0.000 2.282 130 L HA 0.845 5.184 4.340 -0.001 0.000 0.288 130 L C 0.573 177.403 176.870 -0.066 0.000 1.033 130 L CA -0.323 54.504 54.840 -0.023 0.000 0.807 130 L CB 1.344 43.403 42.059 -0.001 0.000 1.209 130 L HN 1.070 nan 8.230 nan 0.000 0.423 131 A N 6.250 129.014 122.820 -0.094 0.000 2.341 131 A HA 0.630 4.949 4.320 -0.001 0.000 0.326 131 A C -0.221 177.133 177.584 -0.382 0.000 1.402 131 A CA -0.400 51.485 52.037 -0.253 0.000 0.957 131 A CB -0.418 18.444 19.000 -0.230 0.000 1.151 131 A HN 0.619 nan 8.150 nan 0.000 0.533 132 I N 2.560 122.935 120.570 -0.325 0.000 2.325 132 I HA 0.229 4.399 4.170 -0.001 0.000 0.291 132 I C -0.986 174.925 176.117 -0.344 0.000 1.019 132 I CA -0.386 60.778 61.300 -0.227 0.000 1.302 132 I CB 0.617 38.568 38.000 -0.082 0.000 1.401 132 I HN 0.543 nan 8.210 nan 0.000 0.485 133 Y N 5.600 125.921 120.300 0.036 0.000 2.331 133 Y HA 0.463 5.012 4.550 -0.001 0.000 0.338 133 Y C 0.091 176.012 175.900 0.036 0.000 0.976 133 Y CA -0.744 57.377 58.100 0.034 0.000 1.137 133 Y CB 1.702 40.179 38.460 0.029 0.000 1.172 133 Y HN 0.330 nan 8.280 nan 0.000 0.478 134 V N 3.535 123.541 119.914 0.153 0.000 2.495 134 V HA 0.907 5.027 4.120 -0.001 0.000 0.298 134 V C -0.493 175.666 176.094 0.109 0.000 1.031 134 V CA -0.702 61.666 62.300 0.114 0.000 0.871 134 V CB 1.097 32.967 31.823 0.079 0.000 0.988 134 V HN 0.860 nan 8.190 nan 0.000 0.432 135 A N 5.694 128.574 122.820 0.099 0.000 2.327 135 A HA 0.857 5.177 4.320 -0.001 0.000 0.283 135 A C 0.646 178.286 177.584 0.093 0.000 1.127 135 A CA 0.009 52.098 52.037 0.088 0.000 0.810 135 A CB 0.884 19.931 19.000 0.079 0.000 1.066 135 A HN 2.136 nan 8.150 nan 0.000 0.492 136 A N 1.436 124.309 122.820 0.090 0.000 2.546 136 A HA 0.484 4.803 4.320 -0.001 0.000 0.243 136 A C 0.895 178.558 177.584 0.132 0.000 1.063 136 A CA 0.447 52.550 52.037 0.111 0.000 0.757 136 A CB -0.491 18.558 19.000 0.082 0.000 0.991 136 A HN 2.080 nan 8.150 nan 0.000 0.503 137 A N 1.935 124.861 122.820 0.177 0.000 2.351 137 A HA 0.555 4.874 4.320 -0.001 0.000 0.257 137 A C 1.360 179.075 177.584 0.218 0.000 1.087 137 A CA 0.177 52.315 52.037 0.169 0.000 0.798 137 A CB 0.169 19.244 19.000 0.126 0.000 1.033 137 A HN 1.991 nan 8.150 nan 0.000 0.488 138 A N 0.665 123.593 122.820 0.181 0.000 2.167 138 A HA 0.315 4.634 4.320 -0.001 0.000 0.214 138 A C 0.616 178.367 177.584 0.279 0.000 1.151 138 A CA 1.195 53.359 52.037 0.212 0.000 0.735 138 A CB -0.434 18.675 19.000 0.181 0.000 0.802 138 A HN 0.947 nan 8.150 nan 0.000 0.467 139 E N -0.838 119.473 120.200 0.185 0.000 2.390 139 E HA 0.387 4.737 4.350 -0.001 0.000 0.280 139 E C -3.253 173.065 176.600 -0.470 0.000 0.992 139 E CA -2.503 53.885 56.400 -0.019 0.000 0.790 139 E CB 1.169 30.991 29.700 0.204 0.000 1.248 139 E HN -0.051 nan 8.360 nan 0.000 0.447 140 P HA -0.010 nan 4.420 nan 0.000 0.261 140 P C -0.257 176.753 177.300 -0.482 0.000 1.173 140 P CA 0.147 62.540 63.100 -1.179 0.000 0.760 140 P CB 0.319 31.287 31.700 -1.221 0.000 0.783 141 I N 3.178 123.532 120.570 -0.359 0.000 2.328 141 I HA 0.224 4.394 4.170 -0.001 0.000 0.287 141 I C 1.021 177.039 176.117 -0.166 0.000 1.012 141 I CA -0.593 60.598 61.300 -0.182 0.000 1.195 141 I CB 0.347 38.289 38.000 -0.096 0.000 1.350 141 I HN 0.293 nan 8.210 nan 0.000 0.464 142 E N 4.888 125.004 120.200 -0.139 0.000 2.289 142 E HA 0.130 4.479 4.350 -0.001 0.000 0.278 142 E C -0.282 176.267 176.600 -0.084 0.000 1.032 142 E CA -0.550 55.783 56.400 -0.112 0.000 0.854 142 E CB 1.348 30.993 29.700 -0.092 0.000 1.046 142 E HN 0.524 nan 8.360 nan 0.000 0.409 143 D N 1.607 121.967 120.400 -0.068 0.000 2.325 143 D HA -0.102 4.538 4.640 -0.001 0.000 0.262 143 D C 1.249 177.519 176.300 -0.051 0.000 1.263 143 D CA -0.008 53.962 54.000 -0.052 0.000 1.020 143 D CB -0.176 40.604 40.800 -0.034 0.000 1.117 143 D HN 0.401 nan 8.370 nan 0.000 0.545 144 T N -3.383 111.146 114.554 -0.042 0.000 2.881 144 T HA -0.101 4.248 4.350 -0.001 0.000 0.270 144 T C 1.570 176.250 174.700 -0.033 0.000 1.068 144 T CA 1.123 63.199 62.100 -0.040 0.000 1.131 144 T CB -0.543 68.306 68.868 -0.032 0.000 0.871 144 T HN 0.244 nan 8.240 nan 0.000 0.479 145 S N 0.894 116.576 115.700 -0.029 0.000 2.597 145 S HA 0.202 4.672 4.470 -0.001 0.000 0.224 145 S C 0.225 174.808 174.600 -0.029 0.000 0.955 145 S CA -0.001 58.185 58.200 -0.024 0.000 0.933 145 S CB -0.361 62.829 63.200 -0.017 0.000 0.788 145 S HN 0.511 nan 8.310 nan 0.000 0.488 146 D N 1.839 122.217 120.400 -0.037 0.000 2.981 146 D HA -0.144 4.495 4.640 -0.001 0.000 0.223 146 D C 0.176 176.450 176.300 -0.044 0.000 1.151 146 D CA 0.789 54.764 54.000 -0.041 0.000 0.827 146 D CB -0.736 40.044 40.800 -0.033 0.000 1.101 146 D HN 0.658 nan 8.370 nan 0.000 0.426 147 R N -0.480 119.992 120.500 -0.047 0.000 2.711 147 R HA 0.668 5.007 4.340 -0.001 0.000 0.284 147 R C -0.495 175.759 176.300 -0.077 0.000 0.968 147 R CA -1.139 54.929 56.100 -0.052 0.000 0.924 147 R CB 1.581 31.859 30.300 -0.037 0.000 1.162 147 R HN 0.103 nan 8.270 nan 0.000 0.465 148 L N 3.355 124.517 121.223 -0.101 0.000 2.283 148 L HA 0.456 4.796 4.340 -0.001 0.000 0.281 148 L C -0.779 175.998 176.870 -0.155 0.000 1.033 148 L CA -0.304 54.441 54.840 -0.158 0.000 0.848 148 L CB 0.533 42.462 42.059 -0.216 0.000 1.226 148 L HN 0.804 nan 8.230 nan 0.000 0.429 149 R N 3.312 123.755 120.500 -0.095 0.000 2.808 149 R HA 0.717 5.057 4.340 -0.001 0.000 0.272 149 R C -1.783 174.594 176.300 0.128 0.000 0.995 149 R CA -0.673 55.404 56.100 -0.039 0.000 0.917 149 R CB 1.397 31.708 30.300 0.018 0.000 1.217 149 R HN 0.583 nan 8.270 nan 0.000 0.471 150 W N 0.144 121.469 121.300 0.041 0.000 2.929 150 W HA 0.614 5.273 4.660 -0.001 0.000 0.345 150 W C -0.640 175.884 176.519 0.009 0.000 1.151 150 W CA -1.776 55.596 57.345 0.046 0.000 1.111 150 W CB 0.105 29.620 29.460 0.092 0.000 1.449 150 W HN 0.328 nan 8.180 nan 0.000 0.572 151 R N 1.242 121.833 120.500 0.151 0.000 2.537 151 R HA 0.364 4.703 4.340 -0.001 0.000 0.280 151 R C 0.200 176.391 176.300 -0.181 0.000 1.058 151 R CA -0.068 56.023 56.100 -0.015 0.000 1.057 151 R CB 1.075 31.347 30.300 -0.047 0.000 0.973 151 R HN 0.616 nan 8.270 nan 0.000 0.438 152 V N 1.857 121.712 119.914 -0.100 0.000 4.822 152 V HA 0.254 4.374 4.120 -0.001 0.000 0.163 152 V C 1.647 177.677 176.094 -0.108 0.000 0.972 152 V CA 0.800 63.015 62.300 -0.141 0.000 1.430 152 V CB -0.673 31.120 31.823 -0.049 0.000 2.168 152 V HN 0.843 nan 8.190 nan 0.000 0.434 153 G N -0.069 108.693 108.800 -0.063 0.000 2.587 153 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.197 153 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.197 153 G C 0.858 175.717 174.900 -0.068 0.000 1.540 153 G CA 1.397 46.459 45.100 -0.063 0.000 0.910 153 G HN 0.565 nan 8.290 nan 0.000 0.437 154 D N -1.216 119.151 120.400 -0.054 0.000 2.423 154 D HA 0.112 4.752 4.640 -0.001 0.000 0.212 154 D C 1.377 177.659 176.300 -0.031 0.000 1.060 154 D CA 0.612 54.576 54.000 -0.060 0.000 0.872 154 D CB 0.221 40.982 40.800 -0.065 0.000 1.012 154 D HN 0.366 nan 8.370 nan 0.000 0.503 155 S N -0.537 115.154 115.700 -0.015 0.000 2.687 155 S HA 0.582 5.051 4.470 -0.001 0.000 0.283 155 S C 0.064 174.677 174.600 0.022 0.000 1.170 155 S CA -0.710 57.495 58.200 0.007 0.000 1.008 155 S CB 1.337 64.545 63.200 0.012 0.000 1.026 155 S HN 0.400 nan 8.310 nan 0.000 0.541 156 c N 1.115 119.743 118.600 0.046 0.000 2.346 156 c HA 0.834 5.404 4.570 -0.001 0.000 0.326 156 c C -0.144 174.014 174.090 0.113 0.000 1.224 156 c CA -1.048 55.336 56.329 0.090 0.000 1.408 156 c CB -0.356 42.216 42.510 0.103 0.000 2.089 156 c HN 0.958 nan 8.230 nan 0.000 0.456 157 R N 3.346 123.940 120.500 0.156 0.000 2.549 157 R HA 0.714 5.054 4.340 -0.001 0.000 0.267 157 R C -2.235 174.141 176.300 0.127 0.000 1.045 157 R CA -1.317 54.861 56.100 0.131 0.000 1.115 157 R CB 0.638 31.014 30.300 0.128 0.000 1.121 157 R HN 0.616 nan 8.270 nan 0.000 0.543 158 P HA 0.104 nan 4.420 nan 0.000 0.272 158 P C -0.977 176.237 177.300 -0.144 0.000 1.240 158 P CA -0.180 62.892 63.100 -0.046 0.000 0.791 158 P CB 0.865 32.547 31.700 -0.031 0.000 0.978 159 V N -2.454 117.302 119.914 -0.263 0.000 2.969 159 V HA 0.443 4.562 4.120 -0.001 0.000 0.304 159 V C -0.831 175.129 176.094 -0.223 0.000 1.192 159 V CA -1.219 60.860 62.300 -0.368 0.000 0.962 159 V CB 1.829 33.092 31.823 -0.934 0.000 1.045 159 V HN 0.600 nan 8.190 nan 0.000 0.428 160 D N 2.405 122.730 120.400 -0.126 0.000 2.304 160 D HA 0.267 4.907 4.640 -0.001 0.000 0.247 160 D C 0.859 177.172 176.300 0.023 0.000 1.089 160 D CA -0.629 53.351 54.000 -0.034 0.000 0.910 160 D CB 1.766 42.573 40.800 0.011 0.000 1.199 160 D HN 0.664 nan 8.370 nan 0.000 0.426 161 R N 1.071 121.620 120.500 0.081 0.000 2.127 161 R HA -0.164 4.175 4.340 -0.001 0.000 0.238 161 R C 1.989 178.516 176.300 0.380 0.000 1.134 161 R CA 1.647 57.887 56.100 0.235 0.000 0.975 161 R CB -0.312 30.127 30.300 0.231 0.000 0.865 161 R HN 0.643 nan 8.270 nan 0.000 0.447 162 A N 0.333 123.286 122.820 0.222 0.000 1.898 162 A HA -0.209 4.111 4.320 -0.001 0.000 0.216 162 A C 1.984 179.702 177.584 0.224 0.000 1.181 162 A CA 1.606 53.764 52.037 0.202 0.000 0.620 162 A CB -0.432 18.629 19.000 0.102 0.000 0.819 162 A HN 0.512 nan 8.150 nan 0.000 0.442 163 E N -1.873 118.433 120.200 0.177 0.000 2.076 163 E HA -0.186 4.163 4.350 -0.001 0.000 0.190 163 E C 1.804 178.545 176.600 0.235 0.000 0.979 163 E CA 0.781 57.301 56.400 0.200 0.000 0.807 163 E CB -0.280 29.515 29.700 0.159 0.000 0.761 163 E HN 0.725 nan 8.360 nan 0.000 0.454 164 W N 0.337 121.588 121.300 -0.082 0.000 2.318 164 W HA -0.211 4.448 4.660 -0.001 0.000 0.313 164 W C 1.465 177.959 176.519 -0.041 0.000 1.221 164 W CA 1.923 59.151 57.345 -0.194 0.000 1.266 164 W CB -0.525 28.702 29.460 -0.388 0.000 1.150 164 W HN 0.175 nan 8.180 nan 0.000 0.496 165 W N 0.966 122.455 121.300 0.314 0.000 2.379 165 W HA -0.160 4.500 4.660 -0.001 0.000 0.307 165 W C 2.638 179.160 176.519 0.005 0.000 1.200 165 W CA 2.128 59.574 57.345 0.169 0.000 1.297 165 W CB -0.883 28.714 29.460 0.229 0.000 1.140 165 W HN 0.099 nan 8.180 nan 0.000 0.507 166 E N -1.310 119.032 120.200 0.235 0.000 2.209 166 E HA -0.280 4.070 4.350 -0.001 0.000 0.196 166 E C 1.631 178.180 176.600 -0.084 0.000 0.993 166 E CA 1.421 57.859 56.400 0.063 0.000 0.819 166 E CB -1.038 28.665 29.700 0.005 0.000 0.745 166 E HN 0.354 nan 8.360 nan 0.000 0.477 167 Y N 1.316 121.598 120.300 -0.031 0.000 2.420 167 Y HA -0.086 4.464 4.550 -0.001 0.000 0.292 167 Y C 2.568 178.339 175.900 -0.215 0.000 1.119 167 Y CA 1.417 59.467 58.100 -0.083 0.000 1.229 167 Y CB 0.108 38.578 38.460 0.017 0.000 1.026 167 Y HN 0.187 nan 8.280 nan 0.000 0.554 168 Q N 0.654 120.294 119.800 -0.266 0.000 2.187 168 Q HA -0.110 4.230 4.340 -0.001 0.000 0.199 168 Q C 1.664 177.617 176.000 -0.078 0.000 0.957 168 Q CA 1.525 57.108 55.803 -0.367 0.000 0.857 168 Q CB -0.291 27.940 28.738 -0.846 0.000 0.929 168 Q HN 0.248 nan 8.270 nan 0.000 0.453 169 R N -0.081 120.434 120.500 0.024 0.000 2.237 169 R HA 0.097 4.436 4.340 -0.001 0.000 0.219 169 R C 1.857 178.183 176.300 0.043 0.000 1.080 169 R CA 1.001 57.150 56.100 0.082 0.000 0.995 169 R CB -0.138 30.224 30.300 0.104 0.000 0.875 169 R HN 0.446 nan 8.270 nan 0.000 0.462 170 A N 0.813 123.628 122.820 -0.008 0.000 1.942 170 A HA -0.044 4.275 4.320 -0.001 0.000 0.209 170 A C 1.366 178.954 177.584 0.006 0.000 1.214 170 A CA 0.276 52.303 52.037 -0.017 0.000 0.686 170 A CB 0.290 19.239 19.000 -0.084 0.000 0.871 170 A HN 0.333 nan 8.150 nan 0.000 0.460 171 Q N -0.748 119.057 119.800 0.007 0.000 2.089 171 Q HA 0.498 4.838 4.340 -0.001 0.000 0.248 171 Q C -0.632 175.368 176.000 0.001 0.000 0.828 171 Q CA -0.190 55.619 55.803 0.011 0.000 1.102 171 Q CB 0.637 29.386 28.738 0.018 0.000 1.221 171 Q HN 0.251 nan 8.270 nan 0.000 0.455 172 S N -0.180 115.524 115.700 0.006 0.000 2.745 172 S HA 0.752 5.222 4.470 -0.001 0.000 0.306 172 S C 0.215 174.858 174.600 0.071 0.000 1.137 172 S CA -0.366 57.842 58.200 0.013 0.000 0.900 172 S CB 1.328 64.500 63.200 -0.047 0.000 1.176 172 S HN 0.463 nan 8.310 nan 0.000 0.520 173 G N 0.244 109.098 108.800 0.090 0.000 2.732 173 G HA2 0.316 4.276 3.960 -0.001 0.000 0.244 173 G HA3 0.316 4.276 3.960 -0.001 0.000 0.244 173 G C -0.762 174.260 174.900 0.203 0.000 1.226 173 G CA -0.053 45.132 45.100 0.141 0.000 0.860 173 G HN 0.415 nan 8.290 nan 0.000 0.583 174 F N 0.530 120.532 119.950 0.086 0.000 2.427 174 F HA 0.347 4.873 4.527 -0.001 0.000 0.352 174 F C -0.318 175.567 175.800 0.141 0.000 1.100 174 F CA -0.926 57.135 58.000 0.101 0.000 1.191 174 F CB 1.294 40.341 39.000 0.079 0.000 1.128 174 F HN 0.180 nan 8.300 nan 0.000 0.533 175 D N 8.774 128.817 120.400 -0.595 0.000 2.461 175 D HA 0.236 4.876 4.640 -0.001 0.000 0.240 175 D C -2.242 173.580 176.300 -0.797 0.000 1.094 175 D CA -1.189 52.573 54.000 -0.397 0.000 0.868 175 D CB 1.330 42.148 40.800 0.029 0.000 1.062 175 D HN 0.284 nan 8.370 nan 0.000 0.530 179 Q N 1.084 120.826 119.800 -0.096 0.000 2.354 179 Q HA 0.279 4.619 4.340 -0.001 0.000 0.310 179 Q C -0.394 175.602 176.000 -0.008 0.000 1.104 179 Q CA 0.525 56.334 55.803 0.010 0.000 0.968 179 Q CB 0.540 29.333 28.738 0.092 0.000 1.251 179 Q HN 0.349 nan 8.270 nan 0.000 0.411 180 V N 4.036 123.952 119.914 0.005 0.000 2.555 180 V HA 0.159 4.278 4.120 -0.001 0.000 0.286 180 V C 0.762 176.838 176.094 -0.029 0.000 1.044 180 V CA 0.168 62.457 62.300 -0.019 0.000 1.026 180 V CB 0.838 32.623 31.823 -0.063 0.000 0.981 180 V HN 1.015 nan 8.190 nan 0.000 0.480 181 T N 0.542 115.101 114.554 0.008 0.000 2.876 181 T HA 0.318 4.667 4.350 -0.001 0.000 0.277 181 T C 0.842 175.594 174.700 0.087 0.000 0.997 181 T CA 0.171 62.283 62.100 0.021 0.000 0.966 181 T CB 1.519 70.401 68.868 0.023 0.000 1.312 181 T HN 0.718 nan 8.240 nan 0.000 0.598 182 T N -1.897 112.725 114.554 0.112 0.000 3.145 182 T HA 0.549 4.898 4.350 -0.001 0.000 0.255 182 T C 0.663 175.530 174.700 0.278 0.000 1.039 182 T CA -0.256 61.984 62.100 0.234 0.000 0.928 182 T CB -0.504 68.432 68.868 0.115 0.000 1.029 182 T HN 0.921 nan 8.240 nan 0.000 0.554 183 A N 2.033 124.965 122.820 0.187 0.000 2.327 183 A HA 0.673 4.993 4.320 -0.001 0.000 0.283 183 A C 0.765 178.336 177.584 -0.023 0.000 1.127 183 A CA -0.512 51.562 52.037 0.062 0.000 0.810 183 A CB 0.517 19.528 19.000 0.018 0.000 1.066 183 A HN 0.561 nan 8.150 nan 0.000 0.492 184 T N -0.464 114.010 114.554 -0.133 0.000 2.841 184 T HA 0.427 4.776 4.350 -0.001 0.000 0.276 184 T C 0.984 175.573 174.700 -0.185 0.000 1.003 184 T CA -0.136 61.806 62.100 -0.263 0.000 0.995 184 T CB 0.300 68.961 68.868 -0.345 0.000 1.260 184 T HN 0.757 nan 8.240 nan 0.000 0.581 185 L N 1.204 122.304 121.223 -0.205 0.000 2.127 185 L HA 0.177 4.516 4.340 -0.001 0.000 0.211 185 L C 2.410 179.201 176.870 -0.132 0.000 1.089 185 L CA 2.570 57.308 54.840 -0.170 0.000 0.757 185 L CB -1.284 40.674 42.059 -0.168 0.000 0.899 185 L HN 0.934 nan 8.230 nan 0.000 0.434 186 G N -1.349 107.379 108.800 -0.120 0.000 2.422 186 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.218 186 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.218 186 G C 1.143 176.002 174.900 -0.068 0.000 1.140 186 G CA 0.729 45.776 45.100 -0.088 0.000 0.775 186 G HN 0.446 nan 8.290 nan 0.000 0.545 187 D N 1.022 121.381 120.400 -0.069 0.000 2.310 187 D HA 0.130 4.770 4.640 -0.001 0.000 0.212 187 D C 1.641 177.924 176.300 -0.028 0.000 0.965 187 D CA 0.616 54.590 54.000 -0.044 0.000 0.879 187 D CB -0.144 40.632 40.800 -0.039 0.000 0.921 187 D HN 0.330 nan 8.370 nan 0.000 0.510 188 A N 1.308 124.104 122.820 -0.040 0.000 2.488 188 A HA 0.187 4.506 4.320 -0.001 0.000 0.249 188 A C 0.389 177.981 177.584 0.012 0.000 1.083 188 A CA -0.269 51.767 52.037 -0.001 0.000 0.768 188 A CB 0.167 19.122 19.000 -0.074 0.000 1.017 188 A HN 0.030 nan 8.150 nan 0.000 0.496 189 R N 4.585 125.116 120.500 0.053 0.000 2.347 189 R HA 0.191 4.531 4.340 -0.001 0.000 0.304 189 R C -1.850 174.469 176.300 0.031 0.000 1.072 189 R CA -1.481 54.633 56.100 0.025 0.000 0.980 189 R CB 0.579 30.887 30.300 0.013 0.000 0.986 189 R HN 0.586 nan 8.270 nan 0.000 0.448 190 P HA -0.232 nan 4.420 nan 0.000 0.219 190 P C 0.862 178.156 177.300 -0.011 0.000 1.146 190 P CA 1.469 64.563 63.100 -0.010 0.000 0.808 190 P CB 0.282 31.968 31.700 -0.024 0.000 0.779 191 A N 0.467 123.277 122.820 -0.016 0.000 1.930 191 A HA 0.114 4.433 4.320 -0.001 0.000 0.215 191 A C 2.525 180.085 177.584 -0.041 0.000 1.176 191 A CA 1.574 53.589 52.037 -0.037 0.000 0.632 191 A CB -1.373 17.602 19.000 -0.040 0.000 0.819 191 A HN 0.222 nan 8.150 nan 0.000 0.445 192 A N 0.023 122.841 122.820 -0.003 0.000 1.877 192 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 192 A C 2.157 179.794 177.584 0.088 0.000 1.186 192 A CA 1.589 53.623 52.037 -0.004 0.000 0.620 192 A CB -0.670 18.346 19.000 0.025 0.000 0.822 192 A HN 0.455 nan 8.150 nan 0.000 0.443 193 L N -0.717 120.617 121.223 0.185 0.000 2.046 193 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 193 L C 3.072 179.971 176.870 0.048 0.000 1.077 193 L CA 1.058 56.005 54.840 0.178 0.000 0.747 193 L CB -0.526 41.559 42.059 0.044 0.000 0.896 193 L HN 0.422 nan 8.230 nan 0.000 0.432 194 A N -0.141 122.667 122.820 -0.021 0.000 1.978 194 A HA -0.190 4.129 4.320 -0.001 0.000 0.220 194 A C 2.279 179.756 177.584 -0.178 0.000 1.170 194 A CA 1.584 53.574 52.037 -0.078 0.000 0.636 194 A CB -0.654 18.296 19.000 -0.084 0.000 0.810 194 A HN 0.385 nan 8.150 nan 0.000 0.448 195 L N -1.227 119.837 121.223 -0.265 0.000 2.072 195 L HA -0.112 4.228 4.340 -0.001 0.000 0.205 195 L C 3.101 179.636 176.870 -0.558 0.000 1.079 195 L CA 0.873 55.314 54.840 -0.664 0.000 0.752 195 L CB -0.477 41.104 42.059 -0.797 0.000 0.906 195 L HN 0.427 nan 8.230 nan 0.000 0.436 196 A N 0.242 123.021 122.820 -0.069 0.000 1.940 196 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 196 A C 2.322 180.077 177.584 0.285 0.000 1.176 196 A CA 1.576 53.769 52.037 0.261 0.000 0.631 196 A CB -0.484 18.731 19.000 0.358 0.000 0.814 196 A HN 0.343 nan 8.150 nan 0.000 0.446 197 R N -0.134 120.449 120.500 0.138 0.000 2.148 197 R HA -0.120 4.219 4.340 -0.001 0.000 0.227 197 R C 2.194 178.510 176.300 0.027 0.000 1.103 197 R CA 1.566 57.748 56.100 0.136 0.000 0.983 197 R CB -0.223 30.116 30.300 0.065 0.000 0.874 197 R HN 0.814 nan 8.270 nan 0.000 0.451 198 K N -0.474 119.856 120.400 -0.117 0.000 2.137 198 K HA -0.061 4.258 4.320 -0.001 0.000 0.202 198 K C 1.316 177.900 176.600 -0.026 0.000 1.052 198 K CA 0.627 56.825 56.287 -0.147 0.000 0.961 198 K CB -0.057 32.261 32.500 -0.304 0.000 0.741 198 K HN 0.086 nan 8.250 nan 0.000 0.452 199 W N 1.908 123.240 121.300 0.053 0.000 2.699 199 W HA 0.116 4.775 4.660 -0.001 0.000 0.249 199 W C -0.106 176.414 176.519 0.002 0.000 1.280 199 W CA 0.266 57.633 57.345 0.037 0.000 1.345 199 W CB -0.220 29.276 29.460 0.059 0.000 1.128 199 W HN 0.182 nan 8.180 nan 0.000 0.642 200 D N -0.544 119.954 120.400 0.162 0.000 2.375 200 D HA 0.110 4.750 4.640 -0.001 0.000 0.241 200 D C -1.775 174.433 176.300 -0.153 0.000 1.361 200 D CA -1.584 52.367 54.000 -0.083 0.000 0.995 200 D CB 2.001 42.597 40.800 -0.339 0.000 1.312 200 D HN -0.199 nan 8.370 nan 0.000 0.576 201 P HA -0.034 nan 4.420 nan 0.000 0.230 201 P C 1.065 178.291 177.300 -0.122 0.000 1.158 201 P CA 0.287 63.340 63.100 -0.078 0.000 0.769 201 P CB 0.422 32.093 31.700 -0.049 0.000 0.807 202 A N 0.041 122.698 122.820 -0.270 0.000 1.930 202 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 202 A C 1.684 179.187 177.584 -0.135 0.000 1.175 202 A CA 1.126 53.006 52.037 -0.262 0.000 0.627 202 A CB -1.594 17.166 19.000 -0.400 0.000 0.815 202 A HN 0.076 nan 8.150 nan 0.000 0.443 203 F N 0.124 120.084 119.950 0.016 0.000 2.699 203 F HA 0.179 4.705 4.527 -0.001 0.000 0.298 203 F C 2.401 178.197 175.800 -0.006 0.000 1.154 203 F CA -0.231 57.771 58.000 0.004 0.000 1.457 203 F CB -0.926 38.081 39.000 0.012 0.000 1.106 203 F HN 0.247 nan 8.300 nan 0.000 0.585 204 A N -0.196 122.696 122.820 0.120 0.000 2.178 204 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 204 A C 2.071 179.684 177.584 0.049 0.000 1.157 204 A CA 1.233 53.309 52.037 0.066 0.000 0.689 204 A CB -0.526 18.489 19.000 0.025 0.000 0.787 204 A HN 0.390 nan 8.150 nan 0.000 0.465 205 E N -1.029 119.205 120.200 0.056 0.000 2.472 205 E HA 0.141 4.491 4.350 -0.001 0.000 0.196 205 E C -0.540 176.082 176.600 0.036 0.000 1.033 205 E CA -0.045 56.377 56.400 0.036 0.000 0.886 205 E CB 0.112 29.829 29.700 0.029 0.000 0.944 205 E HN 0.675 nan 8.360 nan 0.000 0.492 206 L N -1.416 119.839 121.223 0.054 0.000 2.319 206 L HA 0.441 4.781 4.340 -0.001 0.000 0.267 206 L C 0.416 177.286 176.870 -0.000 0.000 1.011 206 L CA -1.202 53.654 54.840 0.028 0.000 0.818 206 L CB 0.443 42.525 42.059 0.038 0.000 1.316 206 L HN -0.231 nan 8.230 nan 0.000 0.432 207 T N -3.355 111.184 114.554 -0.026 0.000 2.813 207 T HA 0.130 4.480 4.350 -0.001 0.000 0.297 207 T C 0.642 175.292 174.700 -0.084 0.000 1.036 207 T CA -0.047 62.024 62.100 -0.048 0.000 1.044 207 T CB 0.410 69.247 68.868 -0.052 0.000 0.993 207 T HN 0.640 nan 8.240 nan 0.000 0.535 208 D N 0.090 120.432 120.400 -0.096 0.000 2.158 208 D HA -0.124 4.516 4.640 -0.001 0.000 0.197 208 D C 1.827 178.015 176.300 -0.187 0.000 0.995 208 D CA 1.587 55.500 54.000 -0.145 0.000 0.846 208 D CB -0.174 40.550 40.800 -0.126 0.000 0.941 208 D HN 0.864 nan 8.370 nan 0.000 0.456 209 E N 0.503 120.616 120.200 -0.145 0.000 2.007 209 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 209 E C 1.958 178.470 176.600 -0.147 0.000 0.999 209 E CA 1.148 57.461 56.400 -0.147 0.000 0.811 209 E CB 0.064 29.699 29.700 -0.108 0.000 0.762 209 E HN 0.412 nan 8.360 nan 0.000 0.450 210 E N 0.870 121.004 120.200 -0.110 0.000 2.204 210 E HA -0.205 4.145 4.350 -0.001 0.000 0.195 210 E C 2.405 178.924 176.600 -0.134 0.000 0.990 210 E CA 0.598 56.942 56.400 -0.093 0.000 0.821 210 E CB -0.414 29.256 29.700 -0.050 0.000 0.750 210 E HN 0.342 nan 8.360 nan 0.000 0.477 211 L N 0.976 122.086 121.223 -0.188 0.000 1.961 211 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 211 L C 2.585 179.215 176.870 -0.400 0.000 1.072 211 L CA 1.271 55.919 54.840 -0.320 0.000 0.749 211 L CB -0.235 41.613 42.059 -0.352 0.000 0.889 211 L HN 0.174 nan 8.230 nan 0.000 0.432 212 L N -0.309 120.663 121.223 -0.419 0.000 2.013 212 L HA -0.308 4.032 4.340 -0.001 0.000 0.212 212 L C 2.845 179.546 176.870 -0.283 0.000 1.073 212 L CA 1.875 56.443 54.840 -0.454 0.000 0.753 212 L CB -0.672 41.105 42.059 -0.470 0.000 0.890 212 L HN 0.377 nan 8.230 nan 0.000 0.432 213 R N 0.258 120.638 120.500 -0.200 0.000 2.096 213 R HA -0.133 4.206 4.340 -0.001 0.000 0.235 213 R C 2.277 178.530 176.300 -0.079 0.000 1.127 213 R CA 1.453 57.485 56.100 -0.114 0.000 0.968 213 R CB -0.497 29.755 30.300 -0.080 0.000 0.861 213 R HN 0.372 nan 8.270 nan 0.000 0.440 214 G N 1.938 110.676 108.800 -0.103 0.000 2.418 214 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.217 214 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.217 214 G C 1.456 176.337 174.900 -0.032 0.000 1.158 214 G CA 1.030 46.100 45.100 -0.050 0.000 0.771 214 G HN 0.544 nan 8.290 nan 0.000 0.545 215 I N -1.879 118.620 120.570 -0.118 0.000 3.444 215 I HA 0.350 4.519 4.170 -0.001 0.000 0.287 215 I C 1.468 177.567 176.117 -0.029 0.000 1.302 215 I CA 0.536 61.796 61.300 -0.067 0.000 1.368 215 I CB -0.415 37.494 38.000 -0.152 0.000 1.048 215 I HN 0.244 nan 8.210 nan 0.000 0.487 216 G N 1.475 110.260 108.800 -0.024 0.000 2.204 216 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.244 216 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.244 216 G C 0.598 175.400 174.900 -0.163 0.000 1.062 216 G CA 0.240 45.337 45.100 -0.005 0.000 0.798 216 G HN 0.729 nan 8.290 nan 0.000 0.496 217 A N -1.157 121.569 122.820 -0.157 0.000 2.070 217 A HA 0.651 4.970 4.320 -0.001 0.000 0.202 217 A C 1.004 178.502 177.584 -0.142 0.000 1.277 217 A CA 0.598 52.528 52.037 -0.180 0.000 0.872 217 A CB 0.373 19.259 19.000 -0.189 0.000 0.933 217 A HN 0.939 nan 8.150 nan 0.000 0.475 218 L N 1.799 122.941 121.223 -0.135 0.000 2.264 218 L HA 0.326 4.665 4.340 -0.001 0.000 0.289 218 L C -0.757 176.088 176.870 -0.042 0.000 1.044 218 L CA -0.138 54.639 54.840 -0.105 0.000 0.807 218 L CB 0.759 42.729 42.059 -0.149 0.000 1.192 218 L HN 0.237 nan 8.230 nan 0.000 0.425 219 D N 3.221 123.624 120.400 0.004 0.000 2.325 219 D HA 0.071 4.711 4.640 -0.001 0.000 0.237 219 D C 0.762 177.084 176.300 0.038 0.000 1.328 219 D CA 0.620 54.651 54.000 0.051 0.000 0.918 219 D CB 1.231 42.110 40.800 0.133 0.000 1.156 219 D HN 0.670 nan 8.370 nan 0.000 0.485 220 A N 0.411 123.262 122.820 0.052 0.000 2.178 220 A HA 0.024 4.344 4.320 -0.001 0.000 0.211 220 A C 1.665 179.279 177.584 0.050 0.000 1.157 220 A CA 0.602 52.660 52.037 0.037 0.000 0.780 220 A CB -0.067 18.951 19.000 0.031 0.000 0.828 220 A HN 0.439 nan 8.150 nan 0.000 0.476 221 E N -1.237 119.028 120.200 0.108 0.000 2.400 221 E HA 0.280 4.630 4.350 -0.001 0.000 0.195 221 E C 1.078 177.729 176.600 0.086 0.000 1.012 221 E CA 0.871 57.374 56.400 0.172 0.000 0.875 221 E CB 0.279 30.190 29.700 0.352 0.000 0.859 221 E HN 0.680 nan 8.360 nan 0.000 0.498 222 G N -0.102 108.701 108.800 0.005 0.000 2.135 222 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.183 222 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.183 222 G C -0.377 174.283 174.900 -0.400 0.000 1.004 222 G CA -0.514 44.462 45.100 -0.207 0.000 0.677 222 G HN 0.113 nan 8.290 nan 0.000 0.512 223 F N 0.641 120.559 119.950 -0.053 0.000 2.426 223 F HA 0.627 5.154 4.527 -0.001 0.000 0.348 223 F C 1.003 176.761 175.800 -0.071 0.000 1.124 223 F CA -0.999 56.968 58.000 -0.056 0.000 1.008 223 F CB 1.351 40.326 39.000 -0.041 0.000 1.139 223 F HN -0.034 nan 8.300 nan 0.000 0.452 224 L N 3.213 124.466 121.223 0.051 0.000 2.456 224 L HA 0.159 4.498 4.340 -0.001 0.000 0.272 224 L C 0.809 177.680 176.870 0.001 0.000 1.189 224 L CA -0.225 54.606 54.840 -0.015 0.000 0.846 224 L CB 0.595 42.628 42.059 -0.043 0.000 1.111 224 L HN 0.744 nan 8.230 nan 0.000 0.475 225 S N 1.355 117.019 115.700 -0.060 0.000 2.617 225 S HA 0.037 4.507 4.470 -0.001 0.000 0.259 225 S C 0.668 175.204 174.600 -0.106 0.000 1.301 225 S CA -0.563 57.583 58.200 -0.091 0.000 0.984 225 S CB 1.150 64.245 63.200 -0.175 0.000 0.954 225 S HN 0.624 nan 8.310 nan 0.000 0.572 226 Q N 0.921 120.645 119.800 -0.128 0.000 2.077 226 Q HA -0.080 4.260 4.340 -0.001 0.000 0.206 226 Q C 2.290 178.163 176.000 -0.211 0.000 0.989 226 Q CA 2.436 58.147 55.803 -0.153 0.000 0.853 226 Q CB -1.195 27.443 28.738 -0.167 0.000 0.907 226 Q HN 0.910 nan 8.270 nan 0.000 0.418 227 A N -0.533 122.146 122.820 -0.234 0.000 1.873 227 A HA -0.043 4.276 4.320 -0.001 0.000 0.215 227 A C 2.311 179.792 177.584 -0.172 0.000 1.186 227 A CA 1.654 53.544 52.037 -0.245 0.000 0.616 227 A CB -1.436 17.418 19.000 -0.244 0.000 0.823 227 A HN 0.534 nan 8.150 nan 0.000 0.442 228 G N -0.195 108.530 108.800 -0.126 0.000 2.469 228 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.219 228 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.219 228 G C 1.666 176.580 174.900 0.023 0.000 1.150 228 G CA 1.430 46.518 45.100 -0.020 0.000 0.763 228 G HN 0.619 nan 8.290 nan 0.000 0.561 229 K N -0.264 120.104 120.400 -0.054 0.000 2.026 229 K HA -0.015 4.304 4.320 -0.001 0.000 0.208 229 K C 2.447 178.988 176.600 -0.099 0.000 1.048 229 K CA 1.209 57.464 56.287 -0.053 0.000 0.929 229 K CB -0.293 32.168 32.500 -0.065 0.000 0.713 229 K HN 0.245 nan 8.250 nan 0.000 0.439 230 L N 1.124 122.231 121.223 -0.194 0.000 2.083 230 L HA -0.134 4.206 4.340 -0.001 0.000 0.209 230 L C 1.904 178.608 176.870 -0.276 0.000 1.083 230 L CA 1.427 56.081 54.840 -0.309 0.000 0.752 230 L CB -0.255 41.491 42.059 -0.522 0.000 0.899 230 L HN 0.192 nan 8.230 nan 0.000 0.433 231 L N -2.042 119.034 121.223 -0.245 0.000 2.162 231 L HA 0.025 4.365 4.340 -0.001 0.000 0.205 231 L C 1.391 177.969 176.870 -0.487 0.000 1.086 231 L CA 1.381 55.998 54.840 -0.372 0.000 0.778 231 L CB -0.354 41.416 42.059 -0.481 0.000 0.928 231 L HN 0.127 nan 8.230 nan 0.000 0.446 232 F N -1.685 118.186 119.950 -0.131 0.000 2.639 232 F HA 0.270 4.797 4.527 -0.001 0.000 0.302 232 F C 0.433 176.179 175.800 -0.090 0.000 1.097 232 F CA -0.101 57.837 58.000 -0.104 0.000 1.294 232 F CB 0.130 39.059 39.000 -0.117 0.000 1.027 232 F HN -0.206 nan 8.300 nan 0.000 0.550 233 T N -0.683 113.882 114.554 0.017 0.000 2.909 233 T HA 0.285 4.635 4.350 -0.001 0.000 0.299 233 T C -0.342 174.335 174.700 -0.038 0.000 1.073 233 T CA -0.957 61.139 62.100 -0.005 0.000 0.999 233 T CB 1.621 70.482 68.868 -0.012 0.000 1.098 233 T HN -0.019 nan 8.240 nan 0.000 0.477 234 S N 2.381 118.064 115.700 -0.028 0.000 2.525 234 S HA 0.111 4.581 4.470 -0.001 0.000 0.285 234 S C 1.287 175.869 174.600 -0.030 0.000 1.283 234 S CA -0.660 57.524 58.200 -0.028 0.000 1.072 234 S CB -0.305 62.881 63.200 -0.022 0.000 0.867 234 S HN 0.767 nan 8.310 nan 0.000 0.492 235 L N -1.164 120.043 121.223 -0.026 0.000 2.627 235 L HA 0.333 4.673 4.340 -0.001 0.000 0.232 235 L C -0.337 176.537 176.870 0.008 0.000 1.150 235 L CA -0.092 54.736 54.840 -0.021 0.000 0.917 235 L CB -0.832 41.212 42.059 -0.025 0.000 1.104 235 L HN 0.521 nan 8.230 nan 0.000 0.445 236 D N 1.544 121.947 120.400 0.005 0.000 2.931 236 D HA -0.242 4.397 4.640 -0.001 0.000 0.228 236 D C 0.514 176.829 176.300 0.025 0.000 1.180 236 D CA 1.683 55.690 54.000 0.010 0.000 0.784 236 D CB -0.472 40.332 40.800 0.007 0.000 1.093 236 D HN 0.898 nan 8.370 nan 0.000 0.421 237 R N -2.897 117.628 120.500 0.042 0.000 2.766 237 R HA 0.599 4.939 4.340 -0.001 0.000 0.270 237 R C -1.162 175.184 176.300 0.077 0.000 1.035 237 R CA -0.876 55.259 56.100 0.059 0.000 0.911 237 R CB 0.699 31.044 30.300 0.074 0.000 1.243 237 R HN -0.187 nan 8.270 nan 0.000 0.460 238 T N 1.106 115.707 114.554 0.080 0.000 2.761 238 T HA 0.372 4.722 4.350 -0.001 0.000 0.296 238 T C 0.814 175.588 174.700 0.123 0.000 0.934 238 T CA 0.187 62.340 62.100 0.089 0.000 1.091 238 T CB 1.457 70.367 68.868 0.070 0.000 0.896 238 T HN 0.639 nan 8.240 nan 0.000 0.515 239 A N 4.170 127.084 122.820 0.156 0.000 1.862 239 A HA 0.473 4.792 4.320 -0.001 0.000 0.211 239 A C 0.738 178.380 177.584 0.096 0.000 1.220 239 A CA 0.353 52.516 52.037 0.211 0.000 0.616 239 A CB 0.098 19.303 19.000 0.341 0.000 0.878 239 A HN 0.749 nan 8.150 nan 0.000 0.453 240 I N 0.036 120.668 120.570 0.105 0.000 2.722 240 I HA 0.409 4.578 4.170 -0.001 0.000 0.295 240 I C -1.749 174.414 176.117 0.077 0.000 1.161 240 I CA -0.824 60.518 61.300 0.069 0.000 1.032 240 I CB 2.069 40.110 38.000 0.068 0.000 1.244 240 I HN 0.579 nan 8.210 nan 0.000 0.421 241 E N 6.629 126.861 120.200 0.054 0.000 2.317 241 E HA 0.518 4.868 4.350 -0.001 0.000 0.270 241 E C -1.911 174.696 176.600 0.011 0.000 0.885 241 E CA -0.968 55.458 56.400 0.045 0.000 0.760 241 E CB 2.937 32.662 29.700 0.041 0.000 1.227 241 E HN 0.431 nan 8.360 nan 0.000 0.434 242 L N 1.620 122.835 121.223 -0.013 0.000 2.317 242 L HA 0.580 4.919 4.340 -0.001 0.000 0.281 242 L C -1.227 175.583 176.870 -0.100 0.000 1.024 242 L CA -0.169 54.641 54.840 -0.051 0.000 0.810 242 L CB 1.935 43.952 42.059 -0.071 0.000 1.240 242 L HN 0.725 nan 8.230 nan 0.000 0.427 243 S N 5.054 120.658 115.700 -0.161 0.000 2.779 243 S HA 0.607 5.077 4.470 -0.001 0.000 0.293 243 S C -0.486 173.852 174.600 -0.437 0.000 1.150 243 S CA -0.619 57.390 58.200 -0.319 0.000 1.057 243 S CB 0.363 63.314 63.200 -0.414 0.000 1.021 243 S HN 0.539 nan 8.310 nan 0.000 0.485 244 I N 3.641 124.024 120.570 -0.312 0.000 2.416 244 I HA 0.366 4.536 4.170 -0.001 0.000 0.288 244 I C -0.535 175.444 176.117 -0.231 0.000 1.051 244 I CA -0.179 61.023 61.300 -0.164 0.000 1.375 244 I CB 0.321 38.278 38.000 -0.072 0.000 1.407 244 I HN 0.501 nan 8.210 nan 0.000 0.516 245 F N 3.516 123.515 119.950 0.081 0.000 2.585 245 F HA 0.301 4.828 4.527 -0.001 0.000 0.350 245 F C 1.104 176.933 175.800 0.048 0.000 1.074 245 F CA -0.568 57.451 58.000 0.031 0.000 1.032 245 F CB 0.730 39.714 39.000 -0.026 0.000 1.330 245 F HN 0.367 nan 8.300 nan 0.000 0.495 246 D N -0.761 119.800 120.400 0.269 0.000 2.525 246 D HA 0.154 4.794 4.640 -0.001 0.000 0.248 246 D C -0.950 175.401 176.300 0.085 0.000 1.000 246 D CA 0.968 55.055 54.000 0.144 0.000 0.923 246 D CB 1.152 42.016 40.800 0.106 0.000 1.101 246 D HN 0.118 nan 8.370 nan 0.000 0.493 247 V N 0.642 120.585 119.914 0.048 0.000 2.924 247 V HA 0.208 4.327 4.120 -0.001 0.000 0.300 247 V C -1.352 174.709 176.094 -0.055 0.000 1.227 247 V CA -0.868 61.432 62.300 -0.000 0.000 0.954 247 V CB 1.732 33.558 31.823 0.005 0.000 1.055 247 V HN 0.148 nan 8.190 nan 0.000 0.429 248 H N 4.253 123.234 119.070 -0.149 0.000 3.216 248 H HA 0.314 4.870 4.556 -0.001 0.000 0.283 248 H C 1.062 176.260 175.328 -0.218 0.000 0.921 248 H CA 2.137 58.054 56.048 -0.218 0.000 1.419 248 H CB 0.685 30.350 29.762 -0.162 0.000 1.460 248 H HN 1.381 nan 8.280 nan 0.000 0.553 249 G N 2.284 111.060 108.800 -0.040 0.000 2.234 249 G HA2 0.138 4.098 3.960 -0.001 0.000 0.153 249 G HA3 0.138 4.098 3.960 -0.001 0.000 0.153 249 G C 0.413 175.216 174.900 -0.162 0.000 1.013 249 G CA 0.134 45.181 45.100 -0.087 0.000 0.712 249 G HN 1.310 nan 8.290 nan 0.000 0.491 250 G N -0.949 107.656 108.800 -0.324 0.000 2.353 250 G HA2 0.570 4.529 3.960 -0.001 0.000 0.615 250 G HA3 0.570 4.529 3.960 -0.001 0.000 0.615 250 G C -0.222 174.639 174.900 -0.065 0.000 1.280 250 G CA 0.857 45.828 45.100 -0.215 0.000 1.000 250 G HN 1.974 nan 8.290 nan 0.000 0.516 251 Q N -2.160 117.703 119.800 0.104 0.000 2.264 251 Q HA -0.076 4.264 4.340 -0.001 0.000 0.291 251 Q C -0.191 176.003 176.000 0.324 0.000 1.246 251 Q CA 0.831 56.732 55.803 0.163 0.000 0.633 251 Q CB -1.411 27.390 28.738 0.104 0.000 0.962 251 Q HN 1.817 nan 8.270 nan 0.000 0.338 252 V N 5.281 125.367 119.914 0.288 0.000 2.287 252 V HA 0.039 4.159 4.120 -0.001 0.000 0.246 252 V C 1.988 178.113 176.094 0.051 0.000 1.165 252 V CA 0.444 62.839 62.300 0.159 0.000 1.088 252 V CB -0.184 31.684 31.823 0.075 0.000 1.242 252 V HN 0.703 nan 8.190 nan 0.000 0.497 253 L N 1.887 123.139 121.223 0.048 0.000 2.013 253 L HA -0.071 4.269 4.340 -0.001 0.000 0.212 253 L C 1.216 178.076 176.870 -0.017 0.000 1.073 253 L CA 1.540 56.393 54.840 0.022 0.000 0.753 253 L CB -0.147 41.930 42.059 0.030 0.000 0.890 253 L HN 0.785 nan 8.230 nan 0.000 0.432 254 N N -1.043 117.622 118.700 -0.059 0.000 3.340 254 N HA 0.165 4.905 4.740 -0.001 0.000 0.234 254 N C -1.706 173.738 175.510 -0.111 0.000 1.196 254 N CA -0.589 52.420 53.050 -0.068 0.000 0.958 254 N CB 1.626 40.081 38.487 -0.053 0.000 1.608 254 N HN 0.097 nan 8.380 nan 0.000 0.515 255 R N 0.646 121.091 120.500 -0.091 0.000 2.628 255 R HA 0.728 5.068 4.340 -0.001 0.000 0.288 255 R C -1.589 174.680 176.300 -0.051 0.000 0.980 255 R CA -0.826 55.215 56.100 -0.099 0.000 0.891 255 R CB 1.792 32.030 30.300 -0.103 0.000 1.188 255 R HN 0.107 nan 8.270 nan 0.000 0.450 256 V N 4.290 124.175 119.914 -0.048 0.000 2.444 256 V HA 0.576 4.696 4.120 -0.001 0.000 0.294 256 V C -0.820 175.312 176.094 0.063 0.000 1.022 256 V CA -0.487 61.814 62.300 0.002 0.000 0.850 256 V CB 1.667 33.446 31.823 -0.073 0.000 0.992 256 V HN 0.686 nan 8.190 nan 0.000 0.426 257 V N 6.166 126.161 119.914 0.135 0.000 2.487 257 V HA 0.786 4.906 4.120 -0.001 0.000 0.298 257 V C -2.366 173.862 176.094 0.223 0.000 1.028 257 V CA -1.945 60.447 62.300 0.153 0.000 0.860 257 V CB 1.508 33.378 31.823 0.079 0.000 0.991 257 V HN 0.783 nan 8.190 nan 0.000 0.427 258 P HA 0.244 nan 4.420 nan 0.000 0.269 258 P C -0.331 176.928 177.300 -0.069 0.000 1.215 258 P CA -0.032 63.078 63.100 0.017 0.000 0.780 258 P CB 0.829 32.617 31.700 0.147 0.000 0.898 259 E N 3.156 123.241 120.200 -0.191 0.000 2.414 259 E HA 0.006 4.355 4.350 -0.001 0.000 0.263 259 E C -1.151 175.415 176.600 -0.056 0.000 1.000 259 E CA -0.990 55.344 56.400 -0.111 0.000 0.914 259 E CB -0.044 29.572 29.700 -0.140 0.000 0.948 259 E HN 0.391 nan 8.360 nan 0.000 0.444 260 P HA -0.193 nan 4.420 nan 0.000 0.219 260 P C -0.302 176.994 177.300 -0.008 0.000 1.146 260 P CA 1.238 64.337 63.100 -0.001 0.000 0.808 260 P CB 0.248 31.951 31.700 0.005 0.000 0.779 261 E N -0.207 119.978 120.200 -0.025 0.000 2.320 261 E HA 0.155 4.505 4.350 -0.001 0.000 0.189 261 E C 0.355 176.935 176.600 -0.034 0.000 1.100 261 E CA 0.040 56.424 56.400 -0.026 0.000 1.009 261 E CB -0.355 29.328 29.700 -0.028 0.000 1.145 261 E HN 0.292 nan 8.360 nan 0.000 0.454 262 K N 0.651 121.031 120.400 -0.034 0.000 2.166 262 K HA 0.447 4.767 4.320 -0.001 0.000 0.245 262 K C 0.147 176.734 176.600 -0.022 0.000 0.967 262 K CA -0.720 55.545 56.287 -0.036 0.000 0.863 262 K CB 1.522 33.991 32.500 -0.052 0.000 1.107 262 K HN 0.203 nan 8.250 nan 0.000 0.436 263 S N -0.793 114.888 115.700 -0.032 0.000 2.681 263 S HA 0.082 4.552 4.470 -0.001 0.000 0.270 263 S C 1.221 175.802 174.600 -0.031 0.000 1.209 263 S CA -0.769 57.398 58.200 -0.055 0.000 0.988 263 S CB 0.963 64.106 63.200 -0.095 0.000 1.006 263 S HN 0.715 nan 8.310 nan 0.000 0.558 264 C N 0.243 119.507 119.300 -0.061 0.000 2.435 264 C HA 0.042 4.501 4.460 -0.001 0.000 0.279 264 C C 2.614 177.642 174.990 0.063 0.000 1.321 264 C CA 0.312 59.347 59.018 0.029 0.000 1.752 264 C CB -1.778 25.967 27.740 0.008 0.000 1.959 264 C HN 0.796 nan 8.230 nan 0.000 0.500 265 L N 0.258 121.461 121.223 -0.033 0.000 2.093 265 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 265 L C 2.584 179.559 176.870 0.175 0.000 1.085 265 L CA 1.486 56.370 54.840 0.073 0.000 0.755 265 L CB -0.699 41.320 42.059 -0.066 0.000 0.904 265 L HN 0.424 nan 8.230 nan 0.000 0.435 266 E N -0.063 120.179 120.200 0.071 0.000 2.015 266 E HA -0.250 4.099 4.350 -0.001 0.000 0.191 266 E C 2.234 178.922 176.600 0.146 0.000 0.991 266 E CA 1.113 57.565 56.400 0.085 0.000 0.802 266 E CB -0.112 29.594 29.700 0.010 0.000 0.759 266 E HN 0.471 nan 8.360 nan 0.000 0.447 267 Q N 0.299 120.170 119.800 0.119 0.000 2.197 267 Q HA -0.205 4.135 4.340 -0.001 0.000 0.207 267 Q C 2.318 178.441 176.000 0.206 0.000 0.984 267 Q CA 0.994 56.895 55.803 0.163 0.000 0.869 267 Q CB -0.126 28.694 28.738 0.135 0.000 0.906 267 Q HN 0.189 nan 8.270 nan 0.000 0.426 268 L N 0.730 122.067 121.223 0.191 0.000 2.027 268 L HA -0.162 4.178 4.340 -0.001 0.000 0.206 268 L C 1.774 178.756 176.870 0.187 0.000 1.074 268 L CA 2.303 57.246 54.840 0.172 0.000 0.745 268 L CB -0.615 41.540 42.059 0.161 0.000 0.898 268 L HN 0.086 nan 8.230 nan 0.000 0.433 269 D N -1.737 118.829 120.400 0.278 0.000 2.092 269 D HA -0.321 4.318 4.640 -0.001 0.000 0.193 269 D C 2.161 178.599 176.300 0.230 0.000 0.994 269 D CA 1.638 55.831 54.000 0.322 0.000 0.828 269 D CB -0.405 40.650 40.800 0.426 0.000 0.963 269 D HN 0.477 nan 8.370 nan 0.000 0.450 270 Y N 0.424 120.781 120.300 0.096 0.000 2.151 270 Y HA -0.189 4.360 4.550 -0.001 0.000 0.284 270 Y C 2.045 177.967 175.900 0.037 0.000 1.166 270 Y CA 1.297 59.428 58.100 0.052 0.000 1.163 270 Y CB -0.433 38.050 38.460 0.038 0.000 0.974 270 Y HN 0.101 nan 8.280 nan 0.000 0.511 271 L N 0.555 121.806 121.223 0.048 0.000 2.093 271 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 271 L C 2.026 178.852 176.870 -0.073 0.000 1.085 271 L CA 1.962 56.771 54.840 -0.052 0.000 0.755 271 L CB -0.983 41.100 42.059 0.041 0.000 0.904 271 L HN 0.410 nan 8.230 nan 0.000 0.435 272 E N -1.225 118.970 120.200 -0.008 0.000 2.204 272 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 272 E C 2.043 178.614 176.600 -0.049 0.000 0.989 272 E CA 0.437 56.829 56.400 -0.014 0.000 0.824 272 E CB 0.143 29.864 29.700 0.035 0.000 0.756 272 E HN 0.514 nan 8.360 nan 0.000 0.477 273 Q N 0.454 120.213 119.800 -0.068 0.000 2.020 273 Q HA -0.172 4.168 4.340 -0.001 0.000 0.202 273 Q C 2.300 178.199 176.000 -0.168 0.000 0.982 273 Q CA 1.562 57.306 55.803 -0.099 0.000 0.838 273 Q CB -0.416 28.248 28.738 -0.122 0.000 0.899 273 Q HN 0.258 nan 8.270 nan 0.000 0.423 274 A N 0.923 123.587 122.820 -0.259 0.000 1.845 274 A HA -0.178 4.141 4.320 -0.001 0.000 0.215 274 A C 2.181 179.616 177.584 -0.248 0.000 1.195 274 A CA 1.361 53.236 52.037 -0.269 0.000 0.616 274 A CB -0.934 17.875 19.000 -0.319 0.000 0.832 274 A HN 0.304 nan 8.150 nan 0.000 0.443 275 L N 0.445 121.535 121.223 -0.222 0.000 2.197 275 L HA -0.246 4.094 4.340 -0.001 0.000 0.215 275 L C 2.110 178.821 176.870 -0.265 0.000 1.095 275 L CA 2.224 56.917 54.840 -0.245 0.000 0.764 275 L CB -0.914 41.068 42.059 -0.128 0.000 0.897 275 L HN 0.643 nan 8.230 nan 0.000 0.436 276 N N -1.483 117.107 118.700 -0.184 0.000 2.171 276 N HA -0.134 4.605 4.740 -0.001 0.000 0.184 276 N C 1.708 177.112 175.510 -0.178 0.000 1.021 276 N CA 1.271 54.234 53.050 -0.145 0.000 0.854 276 N CB 0.087 38.523 38.487 -0.085 0.000 0.994 276 N HN 0.155 nan 8.380 nan 0.000 0.426 277 V N -0.227 119.568 119.914 -0.198 0.000 2.323 277 V HA -0.137 3.982 4.120 -0.001 0.000 0.244 277 V C 2.200 178.132 176.094 -0.270 0.000 1.041 277 V CA 1.250 63.436 62.300 -0.190 0.000 1.025 277 V CB -0.543 31.179 31.823 -0.169 0.000 0.656 277 V HN 0.174 nan 8.190 nan 0.000 0.451 278 V N 0.244 119.909 119.914 -0.415 0.000 2.594 278 V HA -0.219 3.900 4.120 -0.001 0.000 0.253 278 V C 1.634 177.218 176.094 -0.850 0.000 1.069 278 V CA 1.775 63.671 62.300 -0.672 0.000 1.082 278 V CB -1.146 30.107 31.823 -0.949 0.000 0.680 278 V HN 0.642 nan 8.190 nan 0.000 0.469 279 N N 0.272 118.561 118.700 -0.684 0.000 2.926 279 N HA -0.021 4.718 4.740 -0.001 0.000 0.284 279 N C 1.311 176.745 175.510 -0.127 0.000 1.303 279 N CA -0.216 52.589 53.050 -0.409 0.000 1.062 279 N CB -0.185 38.180 38.487 -0.203 0.000 1.389 279 N HN 0.389 nan 8.380 nan 0.000 0.538 280 K N 0.932 121.258 120.400 -0.123 0.000 2.152 280 K HA -0.401 3.919 4.320 -0.001 0.000 0.206 280 K C 0.422 177.021 176.600 -0.002 0.000 0.754 280 K CA 2.394 58.660 56.287 -0.037 0.000 1.053 280 K CB -0.340 32.176 32.500 0.026 0.000 0.869 280 K HN 0.705 nan 8.250 nan 0.000 0.660 294 P HA 0.287 nan 4.420 nan 0.000 0.271 294 P C 0.781 178.145 177.300 0.107 0.000 1.218 294 P CA 0.036 63.182 63.100 0.077 0.000 0.780 294 P CB 1.396 33.133 31.700 0.061 0.000 0.901 295 E N 1.325 121.602 120.200 0.129 0.000 2.045 295 E HA -0.168 4.181 4.350 -0.001 0.000 0.212 295 E C 0.604 177.223 176.600 0.031 0.000 1.039 295 E CA 1.274 57.742 56.400 0.114 0.000 0.860 295 E CB -0.235 29.583 29.700 0.197 0.000 0.776 295 E HN 0.492 nan 8.360 nan 0.000 0.467 296 I N 2.659 123.280 120.570 0.085 0.000 2.385 296 I HA 0.167 4.336 4.170 -0.001 0.000 0.294 296 I C -2.227 173.927 176.117 0.062 0.000 0.988 296 I CA -2.647 58.651 61.300 -0.004 0.000 1.265 296 I CB 1.237 39.257 38.000 0.034 0.000 1.388 296 I HN -0.101 nan 8.210 nan 0.000 0.480 297 P HA 0.021 nan 4.420 nan 0.000 0.261 297 P C 0.366 177.699 177.300 0.054 0.000 1.203 297 P CA -0.057 63.087 63.100 0.073 0.000 0.767 297 P CB 0.528 32.280 31.700 0.087 0.000 0.785 298 R N 2.028 122.558 120.500 0.050 0.000 2.165 298 R HA -0.218 4.122 4.340 -0.001 0.000 0.254 298 R C 1.950 178.264 176.300 0.023 0.000 1.153 298 R CA 1.427 57.548 56.100 0.034 0.000 0.971 298 R CB -1.215 29.101 30.300 0.026 0.000 0.878 298 R HN 0.429 nan 8.270 nan 0.000 0.449 299 L N 0.565 121.802 121.223 0.023 0.000 1.976 299 L HA -0.118 4.221 4.340 -0.001 0.000 0.209 299 L C 2.425 179.300 176.870 0.009 0.000 1.071 299 L CA 2.247 57.095 54.840 0.013 0.000 0.746 299 L CB -0.917 41.153 42.059 0.018 0.000 0.890 299 L HN 0.183 nan 8.230 nan 0.000 0.432 300 A N -1.125 121.704 122.820 0.016 0.000 1.948 300 A HA -0.189 4.131 4.320 -0.001 0.000 0.220 300 A C 2.214 179.799 177.584 0.002 0.000 1.177 300 A CA 2.278 54.317 52.037 0.004 0.000 0.636 300 A CB -1.211 17.786 19.000 -0.005 0.000 0.815 300 A HN 0.379 nan 8.150 nan 0.000 0.449 301 V N -0.145 119.780 119.914 0.018 0.000 2.237 301 V HA -0.270 3.849 4.120 -0.001 0.000 0.245 301 V C 2.596 178.699 176.094 0.013 0.000 1.046 301 V CA 2.304 64.623 62.300 0.033 0.000 1.007 301 V CB -0.923 30.939 31.823 0.064 0.000 0.638 301 V HN 0.680 nan 8.190 nan 0.000 0.445 302 R N 0.048 120.549 120.500 0.001 0.000 2.103 302 R HA -0.267 4.073 4.340 -0.001 0.000 0.242 302 R C 2.325 178.609 176.300 -0.027 0.000 1.142 302 R CA 2.234 58.321 56.100 -0.021 0.000 0.960 302 R CB -0.274 30.004 30.300 -0.038 0.000 0.858 302 R HN 0.601 nan 8.270 nan 0.000 0.439 303 E N 0.663 120.851 120.200 -0.020 0.000 2.012 303 E HA -0.080 4.270 4.350 -0.001 0.000 0.197 303 E C 0.501 177.092 176.600 -0.015 0.000 1.007 303 E CA 1.370 57.758 56.400 -0.021 0.000 0.816 303 E CB -0.472 29.221 29.700 -0.012 0.000 0.762 303 E HN 0.461 nan 8.360 nan 0.000 0.451 307 N N 1.672 120.355 118.700 -0.028 0.000 2.166 307 N HA 0.052 4.792 4.740 -0.001 0.000 0.186 307 N C 1.007 176.579 175.510 0.103 0.000 1.019 307 N CA 1.275 54.352 53.050 0.045 0.000 0.856 307 N CB 0.127 38.623 38.487 0.016 0.000 0.993 307 N HN 0.674 nan 8.380 nan 0.000 0.426 311 H N 1.557 120.663 119.070 0.060 0.000 2.505 311 H HA 0.294 4.849 4.556 -0.001 0.000 0.286 311 H C 0.893 176.220 175.328 -0.001 0.000 1.072 311 H CA -0.254 55.828 56.048 0.058 0.000 1.141 311 H CB 0.190 29.965 29.762 0.022 0.000 1.550 311 H HN 0.101 nan 8.280 nan 0.000 0.547 312 R N 0.870 121.353 120.500 -0.027 0.000 2.893 312 R HA -0.073 4.266 4.340 -0.001 0.000 0.279 312 R C 1.248 177.447 176.300 -0.168 0.000 1.076 312 R CA 0.240 56.167 56.100 -0.289 0.000 1.203 312 R CB 0.426 30.221 30.300 -0.841 0.000 1.137 312 R HN 0.333 nan 8.270 nan 0.000 0.541 313 D N -0.004 120.269 120.400 -0.212 0.000 2.149 313 D HA -0.123 4.517 4.640 -0.001 0.000 0.206 313 D C 0.346 176.795 176.300 0.248 0.000 0.967 313 D CA 1.318 55.326 54.000 0.014 0.000 0.848 313 D CB 0.108 40.873 40.800 -0.059 0.000 0.998 313 D HN 0.701 nan 8.370 nan 0.000 0.474 314 W N -0.545 120.830 121.300 0.125 0.000 1.134 314 W HA -0.298 4.362 4.660 -0.001 0.000 0.226 314 W C 1.426 177.974 176.519 0.047 0.000 0.941 314 W CA 0.798 58.183 57.345 0.066 0.000 0.372 314 W CB -1.752 27.708 29.460 -0.001 0.000 1.939 314 W HN 0.084 nan 8.180 nan 0.000 1.337 315 N N 0.673 119.548 118.700 0.292 0.000 2.461 315 N HA 0.106 4.845 4.740 -0.001 0.000 0.188 315 N C 0.564 176.142 175.510 0.113 0.000 1.134 315 N CA 0.623 53.788 53.050 0.192 0.000 0.878 315 N CB 0.108 38.706 38.487 0.184 0.000 0.972 315 N HN 0.091 nan 8.380 nan 0.000 0.456 316 R N -1.044 119.501 120.500 0.074 0.000 2.674 316 R HA 0.374 4.713 4.340 -0.001 0.000 0.266 316 R C 0.853 177.171 176.300 0.029 0.000 1.016 316 R CA -0.423 55.684 56.100 0.013 0.000 1.062 316 R CB 1.199 31.455 30.300 -0.074 0.000 1.142 316 R HN 0.042 nan 8.270 nan 0.000 0.517 317 S N 0.745 116.456 115.700 0.019 0.000 2.355 317 S HA -0.083 4.386 4.470 -0.001 0.000 0.216 317 S C -0.004 174.614 174.600 0.029 0.000 1.037 317 S CA 0.429 58.652 58.200 0.038 0.000 0.955 317 S CB -0.115 63.109 63.200 0.040 0.000 0.877 317 S HN 0.668 nan 8.310 nan 0.000 0.488 318 E N 3.537 123.750 120.200 0.021 0.000 2.694 318 E HA 0.021 4.371 4.350 -0.001 0.000 0.250 318 E C -2.879 173.732 176.600 0.019 0.000 0.963 318 E CA -0.996 55.434 56.400 0.050 0.000 0.949 318 E CB -0.685 29.085 29.700 0.117 0.000 0.911 318 E HN 0.153 nan 8.360 nan 0.000 0.500 319 P HA 0.171 nan 4.420 nan 0.000 0.274 319 P C 0.139 177.453 177.300 0.024 0.000 1.231 319 P CA -0.479 62.629 63.100 0.013 0.000 0.790 319 P CB 0.499 32.226 31.700 0.045 0.000 0.951 320 I N 1.794 122.347 120.570 -0.028 0.000 2.845 320 I HA -0.096 4.074 4.170 -0.001 0.000 0.290 320 I C 0.752 176.897 176.117 0.048 0.000 1.202 320 I CA 0.815 62.117 61.300 0.005 0.000 1.406 320 I CB -0.248 37.729 38.000 -0.039 0.000 1.383 320 I HN 0.268 nan 8.210 nan 0.000 0.549 321 D N 7.330 127.780 120.400 0.084 0.000 2.396 321 D HA 0.222 4.862 4.640 -0.001 0.000 0.225 321 D C -0.857 175.465 176.300 0.036 0.000 1.121 321 D CA -0.175 53.858 54.000 0.054 0.000 0.853 321 D CB 1.325 42.156 40.800 0.052 0.000 1.043 321 D HN 0.178 nan 8.370 nan 0.000 0.500 322 V N 6.129 126.058 119.914 0.026 0.000 2.384 322 V HA 0.585 4.704 4.120 -0.001 0.000 0.287 322 V C -0.636 175.472 176.094 0.023 0.000 1.020 322 V CA -0.633 61.685 62.300 0.030 0.000 0.850 322 V CB 0.955 32.800 31.823 0.036 0.000 0.987 322 V HN 0.553 nan 8.190 nan 0.000 0.436 323 R N 5.780 126.307 120.500 0.046 0.000 2.832 323 R HA 0.518 4.857 4.340 -0.001 0.000 0.271 323 R C -1.326 175.065 176.300 0.151 0.000 0.996 323 R CA -0.794 55.339 56.100 0.055 0.000 0.977 323 R CB 1.950 32.342 30.300 0.152 0.000 1.168 323 R HN 0.767 nan 8.270 nan 0.000 0.482 324 W N 3.799 125.071 121.300 -0.047 0.000 2.715 324 W HA 0.360 5.019 4.660 -0.001 0.000 0.331 324 W C -1.667 174.870 176.519 0.029 0.000 1.031 324 W CA -1.159 56.169 57.345 -0.028 0.000 1.237 324 W CB 1.370 30.794 29.460 -0.061 0.000 1.378 324 W HN 0.396 nan 8.180 nan 0.000 0.454 325 I N 6.002 126.383 120.570 -0.316 0.000 2.312 325 I HA 0.053 4.222 4.170 -0.001 0.000 0.291 325 I C 1.447 177.448 176.117 -0.194 0.000 1.031 325 I CA -0.239 60.970 61.300 -0.152 0.000 1.293 325 I CB 1.001 38.872 38.000 -0.215 0.000 1.403 325 I HN 0.477 nan 8.210 nan 0.000 0.484 326 E N 4.717 124.988 120.200 0.118 0.000 2.012 326 E HA -0.174 4.176 4.350 -0.001 0.000 0.197 326 E C 1.999 178.644 176.600 0.075 0.000 1.007 326 E CA 1.466 57.987 56.400 0.202 0.000 0.816 326 E CB 0.122 29.940 29.700 0.195 0.000 0.762 326 E HN 0.573 nan 8.360 nan 0.000 0.451 327 L N 1.049 122.292 121.223 0.034 0.000 1.994 327 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 327 L C 2.265 179.112 176.870 -0.039 0.000 1.071 327 L CA 1.206 56.051 54.840 0.008 0.000 0.745 327 L CB -0.414 41.651 42.059 0.010 0.000 0.892 327 L HN 0.051 nan 8.230 nan 0.000 0.431 328 D N -0.062 120.290 120.400 -0.080 0.000 2.310 328 D HA -0.096 4.543 4.640 -0.001 0.000 0.212 328 D C 0.737 176.915 176.300 -0.203 0.000 0.965 328 D CA 0.718 54.644 54.000 -0.122 0.000 0.879 328 D CB 0.125 40.851 40.800 -0.122 0.000 0.921 328 D HN 0.192 nan 8.370 nan 0.000 0.510 329 S N -0.210 115.328 115.700 -0.271 0.000 3.711 329 S HA -0.158 4.311 4.470 -0.001 0.000 0.374 329 S C 0.297 174.534 174.600 -0.605 0.000 0.969 329 S CA 0.836 58.791 58.200 -0.409 0.000 1.198 329 S CB -1.922 61.163 63.200 -0.191 0.000 0.903 329 S HN 0.522 nan 8.310 nan 0.000 0.493 330 T N -1.318 112.812 114.554 -0.707 0.000 2.893 330 T HA 0.774 5.124 4.350 -0.001 0.000 0.291 330 T C -0.684 173.616 174.700 -0.667 0.000 1.028 330 T CA -1.044 60.707 62.100 -0.582 0.000 0.995 330 T CB 1.991 70.656 68.868 -0.340 0.000 1.051 330 T HN 0.278 nan 8.240 nan 0.000 0.470 331 L N 2.828 123.773 121.223 -0.462 0.000 2.329 331 L HA 0.786 5.125 4.340 -0.001 0.000 0.279 331 L C -1.283 175.505 176.870 -0.137 0.000 1.014 331 L CA -1.013 53.678 54.840 -0.249 0.000 0.814 331 L CB 1.204 43.215 42.059 -0.080 0.000 1.257 331 L HN 0.799 nan 8.230 nan 0.000 0.424 332 I N 5.452 125.979 120.570 -0.071 0.000 2.468 332 I HA 0.367 4.536 4.170 -0.001 0.000 0.285 332 I C -1.125 174.987 176.117 -0.008 0.000 1.039 332 I CA -0.763 60.507 61.300 -0.049 0.000 1.074 332 I CB 2.041 40.001 38.000 -0.068 0.000 1.228 332 I HN 0.209 nan 8.210 nan 0.000 0.436 333 V N 6.828 126.742 119.914 0.000 0.000 2.313 333 V HA 0.399 4.519 4.120 -0.001 0.000 0.278 333 V C 0.120 176.235 176.094 0.034 0.000 1.017 333 V CA -0.581 61.731 62.300 0.021 0.000 0.823 333 V CB 1.461 33.298 31.823 0.023 0.000 1.010 333 V HN 0.630 nan 8.190 nan 0.000 0.443 334 R N 3.537 124.066 120.500 0.047 0.000 2.229 334 R HA 0.560 4.899 4.340 -0.001 0.000 0.332 334 R C 0.034 176.465 176.300 0.218 0.000 0.989 334 R CA -0.058 56.103 56.100 0.102 0.000 0.842 334 R CB 1.171 31.454 30.300 -0.029 0.000 1.119 334 R HN 0.821 nan 8.270 nan 0.000 0.456 335 S N 4.768 120.607 115.700 0.231 0.000 2.503 335 S HA 0.604 5.074 4.470 -0.001 0.000 0.301 335 S C -2.528 172.040 174.600 -0.054 0.000 1.087 335 S CA -1.670 56.585 58.200 0.091 0.000 1.042 335 S CB 2.129 65.321 63.200 -0.013 0.000 1.043 335 S HN 0.428 nan 8.310 nan 0.000 0.489 336 P HA 0.432 nan 4.420 nan 0.000 0.269 336 P C 0.655 177.705 177.300 -0.416 0.000 1.215 336 P CA 0.831 63.503 63.100 -0.713 0.000 0.780 336 P CB 0.018 31.411 31.700 -0.511 0.000 0.898 337 G N 0.292 108.845 108.800 -0.411 0.000 2.730 337 G HA2 0.252 4.211 3.960 -0.001 0.000 0.686 337 G HA3 0.252 4.211 3.960 -0.001 0.000 0.686 337 G C -0.383 174.426 174.900 -0.151 0.000 1.343 337 G CA -0.477 44.499 45.100 -0.207 0.000 0.826 337 G HN 0.780 nan 8.290 nan 0.000 0.582 338 G N -1.239 107.510 108.800 -0.086 0.000 2.714 338 G HA2 0.758 4.718 3.960 -0.001 0.000 0.292 338 G HA3 0.758 4.718 3.960 -0.001 0.000 0.292 338 G C -0.026 174.920 174.900 0.076 0.000 1.308 338 G CA -1.090 43.958 45.100 -0.087 0.000 0.964 338 G HN 0.892 nan 8.290 nan 0.000 0.484 339 F N 1.768 121.712 119.950 -0.011 0.000 2.604 339 F HA 0.075 4.602 4.527 -0.001 0.000 0.393 339 F C -0.959 174.834 175.800 -0.012 0.000 1.043 339 F CA -1.106 56.886 58.000 -0.012 0.000 1.227 339 F CB 0.477 39.473 39.000 -0.006 0.000 1.016 339 F HN 0.093 nan 8.300 nan 0.000 0.556 340 P HA -0.021 nan 4.420 nan 0.000 0.262 340 P C -0.506 176.840 177.300 0.077 0.000 1.199 340 P CA -0.204 62.945 63.100 0.082 0.000 0.763 340 P CB 0.609 32.335 31.700 0.044 0.000 0.790 341 A N 3.617 126.476 122.820 0.066 0.000 2.513 341 A HA 0.201 4.521 4.320 -0.001 0.000 0.293 341 A C 1.346 178.956 177.584 0.043 0.000 1.260 341 A CA 1.064 53.135 52.037 0.056 0.000 1.059 341 A CB -1.563 17.461 19.000 0.040 0.000 0.913 341 A HN 0.818 nan 8.150 nan 0.000 0.542 342 A N 1.876 124.723 122.820 0.046 0.000 3.466 342 A HA 0.129 4.449 4.320 -0.001 0.000 0.210 342 A C 0.170 177.757 177.584 0.004 0.000 1.470 342 A CA 0.123 52.173 52.037 0.021 0.000 1.225 342 A CB -0.546 18.460 19.000 0.011 0.000 0.828 342 A HN 0.708 nan 8.150 nan 0.000 0.401 343 I N 2.052 122.618 120.570 -0.008 0.000 2.395 343 I HA 0.572 4.742 4.170 -0.001 0.000 0.289 343 I C 0.695 176.771 176.117 -0.069 0.000 1.023 343 I CA 0.583 61.823 61.300 -0.100 0.000 1.350 343 I CB 0.771 38.640 38.000 -0.219 0.000 1.409 343 I HN 0.411 nan 8.210 nan 0.000 0.507 344 T N 2.703 117.196 114.554 -0.101 0.000 2.858 344 T HA 0.281 4.631 4.350 -0.001 0.000 0.285 344 T C 1.088 175.761 174.700 -0.045 0.000 1.052 344 T CA -0.361 61.773 62.100 0.056 0.000 1.009 344 T CB 1.367 70.285 68.868 0.083 0.000 1.241 344 T HN 0.546 nan 8.240 nan 0.000 0.542 345 S N 0.722 116.535 115.700 0.188 0.000 2.528 345 S HA -0.043 4.426 4.470 -0.001 0.000 0.244 345 S C 0.856 175.484 174.600 0.046 0.000 0.982 345 S CA 1.090 59.390 58.200 0.167 0.000 0.953 345 S CB -0.269 63.062 63.200 0.217 0.000 0.754 345 S HN 0.640 nan 8.310 nan 0.000 0.529 346 E N 0.339 120.544 120.200 0.009 0.000 2.538 346 E HA 0.261 4.610 4.350 -0.001 0.000 0.207 346 E C 0.853 177.423 176.600 -0.050 0.000 1.002 346 E CA -0.063 56.332 56.400 -0.009 0.000 0.952 346 E CB 0.265 29.969 29.700 0.007 0.000 1.031 346 E HN 0.234 nan 8.360 nan 0.000 0.476 347 N N -0.657 117.984 118.700 -0.099 0.000 2.145 347 N HA 0.055 4.794 4.740 -0.001 0.000 0.219 347 N C 1.137 176.542 175.510 -0.175 0.000 1.266 347 N CA 0.223 53.199 53.050 -0.123 0.000 0.902 347 N CB 1.156 39.570 38.487 -0.121 0.000 1.078 347 N HN -0.035 nan 8.380 nan 0.000 0.513 348 V N 1.611 121.386 119.914 -0.232 0.000 2.214 348 V HA -0.233 3.886 4.120 -0.001 0.000 0.245 348 V C 2.265 178.257 176.094 -0.170 0.000 1.047 348 V CA 1.451 63.591 62.300 -0.268 0.000 0.998 348 V CB -0.518 31.154 31.823 -0.252 0.000 0.633 348 V HN 0.138 nan 8.190 nan 0.000 0.446 349 L N 0.200 121.337 121.223 -0.144 0.000 2.197 349 L HA -0.134 4.205 4.340 -0.001 0.000 0.215 349 L C 1.638 178.455 176.870 -0.090 0.000 1.095 349 L CA 1.725 56.470 54.840 -0.158 0.000 0.764 349 L CB -0.839 41.093 42.059 -0.211 0.000 0.897 349 L HN 0.239 nan 8.230 nan 0.000 0.436 350 S N -0.532 115.137 115.700 -0.051 0.000 2.438 350 S HA 0.276 4.745 4.470 -0.001 0.000 0.227 350 S C -0.051 174.574 174.600 0.042 0.000 1.265 350 S CA -0.417 57.805 58.200 0.036 0.000 1.265 350 S CB -0.450 62.750 63.200 0.000 0.000 0.987 350 S HN 0.354 nan 8.310 nan 0.000 0.502 351 N N 0.834 119.546 118.700 0.020 0.000 2.454 351 N HA 0.345 5.084 4.740 -0.001 0.000 0.291 351 N C 0.467 175.992 175.510 0.026 0.000 1.079 351 N CA -0.553 52.502 53.050 0.009 0.000 0.893 351 N CB 0.806 39.238 38.487 -0.091 0.000 1.512 351 N HN -0.107 nan 8.380 nan 0.000 0.497 352 R N 1.488 122.042 120.500 0.091 0.000 2.307 352 R HA 0.375 4.715 4.340 -0.001 0.000 0.200 352 R C 0.100 176.446 176.300 0.077 0.000 0.893 352 R CA -0.111 56.027 56.100 0.062 0.000 1.042 352 R CB -0.112 30.226 30.300 0.063 0.000 1.059 352 R HN 0.530 nan 8.270 nan 0.000 0.530 353 A N 1.624 124.491 122.820 0.080 0.000 2.477 353 A HA 0.572 4.892 4.320 -0.001 0.000 0.246 353 A C -0.022 177.632 177.584 0.115 0.000 1.078 353 A CA 0.101 52.190 52.037 0.086 0.000 0.770 353 A CB 0.330 19.369 19.000 0.065 0.000 1.011 353 A HN 0.282 nan 8.150 nan 0.000 0.494 354 A N 1.632 124.537 122.820 0.141 0.000 2.384 354 A HA 0.654 4.974 4.320 -0.001 0.000 0.312 354 A C 1.132 178.764 177.584 0.081 0.000 1.113 354 A CA -0.541 51.613 52.037 0.194 0.000 0.779 354 A CB 0.866 19.959 19.000 0.155 0.000 1.307 354 A HN 0.978 nan 8.150 nan 0.000 0.436 355 R N -0.396 120.121 120.500 0.028 0.000 2.075 355 R HA -0.071 4.268 4.340 -0.001 0.000 0.232 355 R C -0.718 175.378 176.300 -0.339 0.000 1.126 355 R CA 1.532 57.502 56.100 -0.217 0.000 0.963 355 R CB -0.130 29.948 30.300 -0.371 0.000 0.858 355 R HN 0.674 nan 8.270 nan 0.000 0.435 356 Y N -0.223 120.100 120.300 0.038 0.000 2.837 356 Y HA 0.338 4.888 4.550 -0.001 0.000 0.356 356 Y C -1.943 173.980 175.900 0.038 0.000 1.035 356 Y CA -3.127 54.995 58.100 0.037 0.000 1.165 356 Y CB 1.586 40.075 38.460 0.048 0.000 1.147 356 Y HN 0.079 nan 8.280 nan 0.000 0.628 357 P HA -0.298 nan 4.420 nan 0.000 0.215 357 P C 1.582 179.054 177.300 0.286 0.000 1.163 357 P CA 2.744 65.990 63.100 0.244 0.000 0.894 357 P CB 0.392 32.263 31.700 0.285 0.000 0.791 358 A N -0.583 122.397 122.820 0.266 0.000 1.978 358 A HA -0.194 4.125 4.320 -0.001 0.000 0.220 358 A C 2.184 179.713 177.584 -0.093 0.000 1.170 358 A CA 1.380 53.374 52.037 -0.073 0.000 0.636 358 A CB -1.613 17.180 19.000 -0.345 0.000 0.810 358 A HN 0.149 nan 8.150 nan 0.000 0.448 359 L N -0.678 120.561 121.223 0.026 0.000 2.044 359 L HA -0.078 4.261 4.340 -0.001 0.000 0.205 359 L C 2.791 179.774 176.870 0.189 0.000 1.075 359 L CA 2.179 57.058 54.840 0.065 0.000 0.747 359 L CB -1.354 40.756 42.059 0.085 0.000 0.903 359 L HN 0.415 nan 8.230 nan 0.000 0.435 360 A N -0.108 122.797 122.820 0.141 0.000 1.883 360 A HA -0.323 3.996 4.320 -0.001 0.000 0.217 360 A C 2.009 179.706 177.584 0.189 0.000 1.186 360 A CA 2.133 54.246 52.037 0.127 0.000 0.624 360 A CB -0.910 18.124 19.000 0.058 0.000 0.822 360 A HN 0.563 nan 8.150 nan 0.000 0.444 361 D N -0.751 119.760 120.400 0.184 0.000 2.104 361 D HA -0.174 4.466 4.640 -0.001 0.000 0.194 361 D C 1.735 178.118 176.300 0.139 0.000 0.994 361 D CA 1.377 55.493 54.000 0.192 0.000 0.830 361 D CB -0.223 40.794 40.800 0.362 0.000 0.959 361 D HN 0.220 nan 8.370 nan 0.000 0.452 362 L N -0.375 120.885 121.223 0.062 0.000 2.189 362 L HA -0.184 4.156 4.340 -0.001 0.000 0.214 362 L C 1.615 178.474 176.870 -0.019 0.000 1.097 362 L CA 1.671 56.498 54.840 -0.022 0.000 0.764 362 L CB -0.782 41.211 42.059 -0.110 0.000 0.900 362 L HN 0.240 nan 8.230 nan 0.000 0.436 363 Y N -1.186 119.129 120.300 0.024 0.000 2.420 363 Y HA -0.014 4.536 4.550 -0.001 0.000 0.292 363 Y C 2.632 178.561 175.900 0.049 0.000 1.119 363 Y CA 0.828 58.945 58.100 0.029 0.000 1.229 363 Y CB -0.019 38.446 38.460 0.008 0.000 1.026 363 Y HN 0.066 nan 8.280 nan 0.000 0.554 364 R N -0.370 120.243 120.500 0.189 0.000 2.062 364 R HA -0.090 4.250 4.340 -0.001 0.000 0.229 364 R C 2.446 178.821 176.300 0.126 0.000 1.128 364 R CA 1.039 57.215 56.100 0.127 0.000 0.960 364 R CB -0.634 29.722 30.300 0.093 0.000 0.855 364 R HN 0.297 nan 8.270 nan 0.000 0.432 365 A N 1.089 123.988 122.820 0.131 0.000 1.940 365 A HA -0.159 4.160 4.320 -0.001 0.000 0.219 365 A C 1.915 179.668 177.584 0.282 0.000 1.176 365 A CA 1.272 53.407 52.037 0.164 0.000 0.631 365 A CB -0.336 18.734 19.000 0.118 0.000 0.814 365 A HN 0.118 nan 8.150 nan 0.000 0.446 366 L N -1.036 120.329 121.223 0.236 0.000 2.552 366 L HA 0.179 4.518 4.340 -0.001 0.000 0.227 366 L C 1.695 178.747 176.870 0.303 0.000 1.146 366 L CA 1.102 56.156 54.840 0.356 0.000 0.858 366 L CB -0.986 41.181 42.059 0.181 0.000 0.969 366 L HN 0.690 nan 8.230 nan 0.000 0.451 367 G N -1.005 107.904 108.800 0.181 0.000 2.225 367 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.264 367 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.264 367 G C 0.619 175.561 174.900 0.069 0.000 1.060 367 G CA 0.433 45.591 45.100 0.096 0.000 0.833 367 G HN 0.243 nan 8.290 nan 0.000 0.498 368 L N -1.123 120.147 121.223 0.078 0.000 2.515 368 L HA 0.427 4.766 4.340 -0.001 0.000 0.223 368 L C 1.191 178.078 176.870 0.028 0.000 1.079 368 L CA 0.585 55.437 54.840 0.021 0.000 0.857 368 L CB 0.558 42.659 42.059 0.069 0.000 1.050 368 L HN 0.239 nan 8.230 nan 0.000 0.476 369 V N -1.836 118.117 119.914 0.064 0.000 3.040 369 V HA 0.451 4.571 4.120 -0.001 0.000 0.312 369 V C -0.609 175.497 176.094 0.020 0.000 1.115 369 V CA -1.237 61.083 62.300 0.033 0.000 0.998 369 V CB 2.220 34.074 31.823 0.051 0.000 1.042 369 V HN -0.044 nan 8.190 nan 0.000 0.433 370 D N 0.308 120.705 120.400 -0.005 0.000 2.430 370 D HA 0.326 4.966 4.640 -0.001 0.000 0.285 370 D C 1.082 177.369 176.300 -0.022 0.000 1.210 370 D CA -0.521 53.468 54.000 -0.020 0.000 1.080 370 D CB 0.500 41.276 40.800 -0.040 0.000 1.134 370 D HN 0.473 nan 8.370 nan 0.000 0.562 371 K N -0.899 119.473 120.400 -0.047 0.000 1.977 371 K HA -0.234 4.085 4.320 -0.001 0.000 0.218 371 K C 1.231 177.802 176.600 -0.048 0.000 1.051 371 K CA 1.973 58.225 56.287 -0.059 0.000 0.953 371 K CB -0.043 32.399 32.500 -0.097 0.000 0.727 371 K HN 0.283 nan 8.250 nan 0.000 0.445 372 Q N -3.604 116.156 119.800 -0.068 0.000 1.561 372 Q HA 0.024 4.363 4.340 -0.001 0.000 0.144 372 Q C 1.509 177.457 176.000 -0.086 0.000 0.523 372 Q CA 0.824 56.598 55.803 -0.049 0.000 0.856 372 Q CB -0.715 28.001 28.738 -0.036 0.000 0.915 372 Q HN 0.167 nan 8.270 nan 0.000 0.194 373 G N 1.166 109.889 108.800 -0.128 0.000 2.450 373 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.220 373 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.220 373 G C 1.192 175.971 174.900 -0.200 0.000 1.130 373 G CA 1.571 46.575 45.100 -0.161 0.000 0.760 373 G HN 0.284 nan 8.290 nan 0.000 0.557 374 V N 1.563 121.367 119.914 -0.184 0.000 2.546 374 V HA -0.125 3.995 4.120 -0.001 0.000 0.254 374 V C 3.000 179.002 176.094 -0.153 0.000 1.076 374 V CA 1.805 63.994 62.300 -0.185 0.000 1.087 374 V CB -1.125 30.618 31.823 -0.133 0.000 0.674 374 V HN 0.433 nan 8.190 nan 0.000 0.470 375 G N -0.355 108.379 108.800 -0.111 0.000 2.575 375 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.215 375 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.215 375 G C 1.741 176.600 174.900 -0.068 0.000 1.262 375 G CA 1.013 46.069 45.100 -0.073 0.000 0.807 375 G HN 0.321 nan 8.290 nan 0.000 0.567 376 V N 1.137 121.009 119.914 -0.069 0.000 2.380 376 V HA -0.178 3.942 4.120 -0.001 0.000 0.251 376 V C 2.500 178.581 176.094 -0.021 0.000 1.063 376 V CA 2.933 65.225 62.300 -0.015 0.000 1.055 376 V CB -0.522 31.282 31.823 -0.033 0.000 0.657 376 V HN 0.329 nan 8.190 nan 0.000 0.455 377 D N -0.412 119.845 120.400 -0.237 0.000 2.097 377 D HA -0.084 4.555 4.640 -0.001 0.000 0.195 377 D C 1.638 177.774 176.300 -0.273 0.000 0.989 377 D CA 0.928 54.605 54.000 -0.538 0.000 0.827 377 D CB -0.192 40.038 40.800 -0.951 0.000 0.966 377 D HN 0.499 nan 8.370 nan 0.000 0.456 381 Q N 2.907 122.905 119.800 0.330 0.000 2.118 381 Q HA -0.118 4.222 4.340 -0.001 0.000 0.211 381 Q C 1.183 177.271 176.000 0.147 0.000 0.998 381 Q CA 1.857 57.802 55.803 0.237 0.000 0.872 381 Q CB -0.532 28.342 28.738 0.227 0.000 0.925 381 Q HN 0.419 nan 8.270 nan 0.000 0.414 385 A N 1.699 124.597 122.820 0.130 0.000 1.884 385 A HA -0.201 4.119 4.320 -0.001 0.000 0.219 385 A C 1.995 179.625 177.584 0.075 0.000 1.197 385 A CA 2.335 54.441 52.037 0.114 0.000 0.637 385 A CB -0.822 18.232 19.000 0.091 0.000 0.827 385 A HN 0.349 nan 8.150 nan 0.000 0.450 386 L N -1.492 119.742 121.223 0.019 0.000 2.465 386 L HA 0.176 4.516 4.340 -0.001 0.000 0.224 386 L C 2.012 178.743 176.870 -0.233 0.000 1.145 386 L CA 1.456 56.229 54.840 -0.112 0.000 0.834 386 L CB -0.560 41.406 42.059 -0.154 0.000 0.944 386 L HN 0.728 nan 8.230 nan 0.000 0.451 387 G N -3.095 105.658 108.800 -0.079 0.000 2.284 387 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.216 387 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.216 387 G C 0.483 175.518 174.900 0.224 0.000 1.009 387 G CA -0.056 45.059 45.100 0.025 0.000 0.625 387 G HN 0.375 nan 8.290 nan 0.000 0.501 388 H N 1.920 121.124 119.070 0.223 0.000 2.895 388 H HA 0.306 4.861 4.556 -0.001 0.000 0.371 388 H C 1.359 176.755 175.328 0.113 0.000 1.219 388 H CA 0.836 56.937 56.048 0.088 0.000 1.431 388 H CB 0.228 29.974 29.762 -0.027 0.000 1.414 388 H HN 0.760 nan 8.280 nan 0.000 0.617 389 R N 1.955 122.475 120.500 0.034 0.000 2.390 389 R HA 0.299 4.639 4.340 -0.001 0.000 0.291 389 R C -2.516 173.739 176.300 -0.074 0.000 1.070 389 R CA -1.808 54.331 56.100 0.065 0.000 1.014 389 R CB -0.161 30.119 30.300 -0.033 0.000 1.007 389 R HN 0.358 nan 8.270 nan 0.000 0.466 390 P HA -0.006 nan 4.420 nan 0.000 0.266 390 P C -2.218 174.863 177.300 -0.364 0.000 1.186 390 P CA -0.728 62.162 63.100 -0.350 0.000 0.767 390 P CB -0.108 31.373 31.700 -0.365 0.000 0.820 391 P HA 0.032 nan 4.420 nan 0.000 0.269 391 P C -0.233 176.904 177.300 -0.271 0.000 1.215 391 P CA 0.308 63.163 63.100 -0.408 0.000 0.780 391 P CB 0.154 31.576 31.700 -0.463 0.000 0.898 392 T N 0.208 114.693 114.554 -0.116 0.000 2.842 392 T HA 0.452 4.802 4.350 -0.001 0.000 0.308 392 T C 0.052 174.770 174.700 0.031 0.000 1.041 392 T CA -0.800 61.294 62.100 -0.010 0.000 0.964 392 T CB 0.032 68.900 68.868 0.001 0.000 0.972 392 T HN 0.415 nan 8.240 nan 0.000 0.460 393 I N 3.271 123.901 120.570 0.100 0.000 2.287 393 I HA 0.448 4.618 4.170 -0.001 0.000 0.290 393 I C 0.003 176.247 176.117 0.212 0.000 1.069 393 I CA -0.326 61.065 61.300 0.151 0.000 1.237 393 I CB 0.251 38.366 38.000 0.193 0.000 1.418 393 I HN 0.812 nan 8.210 nan 0.000 0.481 394 E N 6.544 126.814 120.200 0.118 0.000 2.281 394 E HA 0.320 4.669 4.350 -0.001 0.000 0.262 394 E C -1.261 175.261 176.600 -0.129 0.000 0.933 394 E CA -0.793 55.639 56.400 0.053 0.000 0.809 394 E CB 1.748 31.462 29.700 0.023 0.000 1.242 394 E HN 0.679 nan 8.360 nan 0.000 0.418 395 E N 3.349 123.380 120.200 -0.281 0.000 2.156 395 E HA 0.274 4.624 4.350 -0.001 0.000 0.279 395 E C -0.553 175.941 176.600 -0.176 0.000 0.965 395 E CA -0.708 55.435 56.400 -0.428 0.000 0.789 395 E CB 0.739 30.015 29.700 -0.706 0.000 1.098 395 E HN 0.328 nan 8.360 nan 0.000 0.397 396 I N 2.176 122.692 120.570 -0.091 0.000 2.947 396 I HA 0.379 4.549 4.170 -0.001 0.000 0.314 396 I C 0.466 176.600 176.117 0.028 0.000 1.028 396 I CA -1.064 60.222 61.300 -0.024 0.000 1.077 396 I CB 1.069 39.056 38.000 -0.022 0.000 1.274 396 I HN 0.603 nan 8.210 nan 0.000 0.485 397 A N 1.541 124.379 122.820 0.031 0.000 2.477 397 A HA 0.570 4.890 4.320 -0.001 0.000 0.246 397 A C 0.789 178.470 177.584 0.162 0.000 1.078 397 A CA 0.790 52.861 52.037 0.056 0.000 0.770 397 A CB 0.055 19.072 19.000 0.029 0.000 1.011 397 A HN 1.099 nan 8.150 nan 0.000 0.494 398 G N 2.108 110.997 108.800 0.147 0.000 4.386 398 G HA2 0.160 4.119 3.960 -0.001 0.000 0.183 398 G HA3 0.160 4.119 3.960 -0.001 0.000 0.183 398 G C -1.929 172.984 174.900 0.022 0.000 1.226 398 G CA 0.330 45.559 45.100 0.215 0.000 0.926 398 G HN 0.800 nan 8.290 nan 0.000 0.306 399 P HA 0.685 nan 4.420 nan 0.000 0.272 399 P C -1.559 175.643 177.300 -0.162 0.000 1.240 399 P CA 0.206 63.267 63.100 -0.064 0.000 0.791 399 P CB 1.389 33.033 31.700 -0.095 0.000 0.978 400 F N -1.301 118.586 119.950 -0.106 0.000 2.693 400 F HA 0.369 4.896 4.527 -0.001 0.000 0.309 400 F C -0.876 174.826 175.800 -0.164 0.000 1.129 400 F CA -0.605 57.332 58.000 -0.106 0.000 0.948 400 F CB 2.086 41.039 39.000 -0.078 0.000 1.315 400 F HN -0.019 nan 8.300 nan 0.000 0.447 401 V N 1.782 121.775 119.914 0.133 0.000 2.612 401 V HA 0.434 4.554 4.120 -0.001 0.000 0.301 401 V C -1.239 174.893 176.094 0.065 0.000 1.059 401 V CA -0.832 61.462 62.300 -0.010 0.000 0.886 401 V CB 1.800 33.607 31.823 -0.027 0.000 1.007 401 V HN 0.683 nan 8.190 nan 0.000 0.426 402 E N 2.452 122.669 120.200 0.028 0.000 2.187 402 E HA 0.744 5.093 4.350 -0.001 0.000 0.268 402 E C -1.022 175.594 176.600 0.027 0.000 0.896 402 E CA -0.693 55.723 56.400 0.027 0.000 0.766 402 E CB 2.139 31.835 29.700 -0.006 0.000 1.142 402 E HN 0.484 nan 8.360 nan 0.000 0.408 403 T N 2.296 116.862 114.554 0.020 0.000 2.771 403 T HA 0.443 4.792 4.350 -0.001 0.000 0.281 403 T C -0.398 174.283 174.700 -0.032 0.000 0.982 403 T CA -0.847 61.256 62.100 0.004 0.000 0.978 403 T CB 1.234 70.107 68.868 0.008 0.000 0.930 403 T HN 0.608 nan 8.240 nan 0.000 0.447 404 T N 1.416 115.936 114.554 -0.057 0.000 2.809 404 T HA 0.679 5.028 4.350 -0.001 0.000 0.284 404 T C -0.821 173.799 174.700 -0.133 0.000 0.992 404 T CA -0.922 61.125 62.100 -0.089 0.000 0.957 404 T CB 0.528 69.351 68.868 -0.075 0.000 0.942 404 T HN 0.177 nan 8.240 nan 0.000 0.439 405 L N 3.726 124.853 121.223 -0.160 0.000 2.313 405 L HA 0.580 4.919 4.340 -0.001 0.000 0.283 405 L C -0.290 176.425 176.870 -0.257 0.000 1.013 405 L CA -0.851 53.871 54.840 -0.197 0.000 0.816 405 L CB 2.052 44.010 42.059 -0.168 0.000 1.236 405 L HN 0.628 nan 8.230 nan 0.000 0.419 406 V N 3.737 123.492 119.914 -0.265 0.000 2.294 406 V HA 0.670 4.789 4.120 -0.001 0.000 0.272 406 V C 0.738 176.585 176.094 -0.412 0.000 1.027 406 V CA -0.243 61.873 62.300 -0.307 0.000 0.823 406 V CB 0.666 32.329 31.823 -0.266 0.000 1.030 406 V HN 0.899 nan 8.190 nan 0.000 0.457 407 G N 2.900 111.403 108.800 -0.494 0.000 2.773 407 G HA2 0.863 4.823 3.960 -0.001 0.000 0.186 407 G HA3 0.863 4.823 3.960 -0.001 0.000 0.186 407 G C 0.273 174.910 174.900 -0.439 0.000 1.411 407 G CA -0.007 44.627 45.100 -0.777 0.000 1.054 407 G HN 1.364 nan 8.290 nan 0.000 0.579 408 G N -1.478 107.201 108.800 -0.203 0.000 2.306 408 G HA2 0.014 3.973 3.960 -0.001 0.000 0.262 408 G HA3 0.014 3.973 3.960 -0.001 0.000 0.262 408 G C -0.554 174.476 174.900 0.218 0.000 1.263 408 G CA -0.658 44.469 45.100 0.044 0.000 1.088 408 G HN 0.627 nan 8.290 nan 0.000 0.489 409 R N 1.617 122.219 120.500 0.170 0.000 2.491 409 R HA 0.365 4.704 4.340 -0.001 0.000 0.283 409 R C -1.952 174.443 176.300 0.157 0.000 1.072 409 R CA -0.672 55.516 56.100 0.146 0.000 1.048 409 R CB 0.532 30.886 30.300 0.090 0.000 0.983 409 R HN 0.410 nan 8.270 nan 0.000 0.450 410 P HA -0.020 nan 4.420 nan 0.000 0.282 410 P C -0.157 177.125 177.300 -0.029 0.000 1.262 410 P CA -0.206 62.869 63.100 -0.041 0.000 0.773 410 P CB 1.185 32.876 31.700 -0.016 0.000 0.879 411 V N 6.467 126.347 119.914 -0.057 0.000 2.416 411 V HA -0.106 4.013 4.120 -0.001 0.000 0.267 411 V C 1.707 177.771 176.094 -0.051 0.000 1.007 411 V CA 0.131 62.405 62.300 -0.042 0.000 1.102 411 V CB -0.950 30.835 31.823 -0.063 0.000 1.035 411 V HN 0.371 nan 8.190 nan 0.000 0.473 412 L N 8.707 129.911 121.223 -0.032 0.000 2.011 412 L HA -0.132 4.208 4.340 -0.001 0.000 0.225 412 L C 0.366 177.215 176.870 -0.035 0.000 1.084 412 L CA 3.005 57.830 54.840 -0.025 0.000 0.791 412 L CB -2.756 39.293 42.059 -0.017 0.000 0.898 412 L HN 0.527 nan 8.230 nan 0.000 0.440 413 P HA -0.155 nan 4.420 nan 0.000 0.216 413 P C 2.076 179.340 177.300 -0.060 0.000 1.157 413 P CA 1.576 64.638 63.100 -0.063 0.000 0.880 413 P CB -0.108 31.535 31.700 -0.095 0.000 0.791 414 V N -0.040 119.821 119.914 -0.089 0.000 2.490 414 V HA -0.214 3.906 4.120 -0.001 0.000 0.250 414 V C 2.850 178.953 176.094 0.014 0.000 1.061 414 V CA 1.422 63.688 62.300 -0.057 0.000 1.064 414 V CB -1.171 30.594 31.823 -0.097 0.000 0.670 414 V HN 0.020 nan 8.190 nan 0.000 0.461 415 L N 0.325 121.547 121.223 -0.003 0.000 1.976 415 L HA -0.222 4.118 4.340 -0.001 0.000 0.209 415 L C 2.793 179.676 176.870 0.023 0.000 1.071 415 L CA 2.347 57.196 54.840 0.014 0.000 0.746 415 L CB -0.748 41.313 42.059 0.004 0.000 0.890 415 L HN 0.535 nan 8.230 nan 0.000 0.432 416 E N 0.292 120.500 120.200 0.012 0.000 2.118 416 E HA -0.275 4.074 4.350 -0.001 0.000 0.195 416 E C 2.298 178.914 176.600 0.027 0.000 0.992 416 E CA 1.156 57.565 56.400 0.016 0.000 0.804 416 E CB -0.557 29.147 29.700 0.007 0.000 0.741 416 E HN 0.385 nan 8.360 nan 0.000 0.458 417 L N 1.586 122.829 121.223 0.034 0.000 2.042 417 L HA -0.141 4.198 4.340 -0.001 0.000 0.210 417 L C 2.295 179.206 176.870 0.069 0.000 1.076 417 L CA 1.570 56.446 54.840 0.059 0.000 0.749 417 L CB -0.506 41.607 42.059 0.089 0.000 0.893 417 L HN 0.196 nan 8.230 nan 0.000 0.432 418 V N -0.467 119.491 119.914 0.073 0.000 2.379 418 V HA -0.178 3.941 4.120 -0.001 0.000 0.245 418 V C 2.711 178.833 176.094 0.047 0.000 1.044 418 V CA 1.645 63.985 62.300 0.067 0.000 1.036 418 V CB -0.385 31.482 31.823 0.073 0.000 0.664 418 V HN 0.532 nan 8.190 nan 0.000 0.453 419 S N -0.608 115.115 115.700 0.039 0.000 2.595 419 S HA -0.077 4.393 4.470 -0.001 0.000 0.235 419 S C 1.794 176.411 174.600 0.028 0.000 0.974 419 S CA 1.158 59.376 58.200 0.031 0.000 0.942 419 S CB -0.208 63.007 63.200 0.025 0.000 0.766 419 S HN 0.600 nan 8.310 nan 0.000 0.536 420 S N 0.815 116.533 115.700 0.031 0.000 2.523 420 S HA 0.349 4.819 4.470 -0.001 0.000 0.217 420 S C 0.395 175.012 174.600 0.028 0.000 0.996 420 S CA -0.483 57.734 58.200 0.028 0.000 0.921 420 S CB 0.120 63.338 63.200 0.030 0.000 0.829 420 S HN 0.396 nan 8.310 nan 0.000 0.495 421 I N 2.970 123.558 120.570 0.031 0.000 2.845 421 I HA 0.039 4.209 4.170 -0.001 0.000 0.296 421 I C -0.030 176.100 176.117 0.022 0.000 1.216 421 I CA 0.740 62.056 61.300 0.027 0.000 1.438 421 I CB -0.170 37.846 38.000 0.026 0.000 1.342 421 I HN -0.067 nan 8.210 nan 0.000 0.577 422 V N 7.842 127.768 119.914 0.019 0.000 2.733 422 V HA 0.323 4.442 4.120 -0.001 0.000 0.306 422 V C -2.163 173.939 176.094 0.014 0.000 1.084 422 V CA -1.377 60.933 62.300 0.017 0.000 0.905 422 V CB 2.480 34.313 31.823 0.018 0.000 1.010 422 V HN 0.633 nan 8.190 nan 0.000 0.424 423 P HA 0.077 nan 4.420 nan 0.000 0.270 423 P C 0.610 177.918 177.300 0.014 0.000 1.223 423 P CA 0.092 63.200 63.100 0.013 0.000 0.785 423 P CB 1.188 32.895 31.700 0.012 0.000 0.923 424 E N 1.736 121.945 120.200 0.015 0.000 2.267 424 E HA -0.204 4.145 4.350 -0.001 0.000 0.197 424 E C 1.659 178.270 176.600 0.017 0.000 0.998 424 E CA 1.185 57.596 56.400 0.017 0.000 0.830 424 E CB -0.328 29.381 29.700 0.016 0.000 0.751 424 E HN 0.519 nan 8.360 nan 0.000 0.491 425 A N 0.600 123.430 122.820 0.015 0.000 2.209 425 A HA -0.048 4.272 4.320 -0.001 0.000 0.212 425 A C 1.877 179.471 177.584 0.017 0.000 1.158 425 A CA 0.482 52.528 52.037 0.016 0.000 0.742 425 A CB -0.131 18.877 19.000 0.013 0.000 0.790 425 A HN 0.130 nan 8.150 nan 0.000 0.472 426 R N -0.738 119.771 120.500 0.015 0.000 2.312 426 R HA 0.042 4.381 4.340 -0.001 0.000 0.205 426 R C 1.724 178.035 176.300 0.018 0.000 0.904 426 R CA 0.337 56.445 56.100 0.013 0.000 1.052 426 R CB -0.026 30.277 30.300 0.005 0.000 1.014 426 R HN 0.685 nan 8.270 nan 0.000 0.503 427 Q N 1.011 120.825 119.800 0.024 0.000 2.096 427 Q HA -0.170 4.169 4.340 -0.001 0.000 0.204 427 Q C 0.756 176.779 176.000 0.039 0.000 0.982 427 Q CA 1.593 57.414 55.803 0.031 0.000 0.850 427 Q CB -0.029 28.728 28.738 0.032 0.000 0.901 427 Q HN 0.453 nan 8.270 nan 0.000 0.422 428 D N -0.096 120.328 120.400 0.040 0.000 2.368 428 D HA -0.022 4.618 4.640 -0.001 0.000 0.218 428 D C -0.175 176.163 176.300 0.064 0.000 1.112 428 D CA -0.086 53.946 54.000 0.053 0.000 0.834 428 D CB -0.101 40.727 40.800 0.047 0.000 0.953 428 D HN -0.054 nan 8.370 nan 0.000 0.505 429 D N 0.994 121.424 120.400 0.050 0.000 2.346 429 D HA -0.105 4.535 4.640 -0.001 0.000 0.260 429 D C 0.978 177.323 176.300 0.074 0.000 1.252 429 D CA -0.376 53.658 54.000 0.056 0.000 0.895 429 D CB 0.223 41.036 40.800 0.023 0.000 1.097 429 D HN 0.154 nan 8.370 nan 0.000 0.489 430 Y N 5.134 125.426 120.300 -0.014 0.000 2.139 430 Y HA -0.365 4.184 4.550 -0.001 0.000 0.282 430 Y C 1.867 177.748 175.900 -0.031 0.000 1.179 430 Y CA 1.773 59.861 58.100 -0.019 0.000 1.161 430 Y CB 0.212 38.654 38.460 -0.031 0.000 0.970 430 Y HN 0.376 nan 8.280 nan 0.000 0.511 431 R N 0.321 120.717 120.500 -0.174 0.000 2.070 431 R HA -0.154 4.186 4.340 -0.001 0.000 0.232 431 R C 2.225 178.372 176.300 -0.254 0.000 1.138 431 R CA 2.061 57.993 56.100 -0.281 0.000 0.936 431 R CB -0.959 29.269 30.300 -0.120 0.000 0.839 431 R HN 0.624 nan 8.270 nan 0.000 0.429 432 I N -0.817 119.663 120.570 -0.151 0.000 2.700 432 I HA -0.075 4.095 4.170 -0.001 0.000 0.261 432 I C 1.903 177.931 176.117 -0.148 0.000 1.219 432 I CA 1.371 62.591 61.300 -0.134 0.000 1.463 432 I CB -0.407 37.545 38.000 -0.079 0.000 1.092 432 I HN 0.089 nan 8.210 nan 0.000 0.452 433 A N 1.507 124.232 122.820 -0.159 0.000 1.854 433 A HA -0.014 4.305 4.320 -0.001 0.000 0.214 433 A C 2.229 179.714 177.584 -0.164 0.000 1.192 433 A CA 1.722 53.686 52.037 -0.121 0.000 0.611 433 A CB -0.776 18.191 19.000 -0.055 0.000 0.832 433 A HN 0.426 nan 8.150 nan 0.000 0.442 434 I N 0.240 120.635 120.570 -0.292 0.000 2.226 434 I HA -0.184 3.986 4.170 -0.001 0.000 0.245 434 I C 2.541 178.573 176.117 -0.142 0.000 1.100 434 I CA 1.239 62.407 61.300 -0.220 0.000 1.374 434 I CB -1.302 36.467 38.000 -0.386 0.000 1.057 434 I HN 0.128 nan 8.210 nan 0.000 0.413 435 V N 0.903 120.699 119.914 -0.196 0.000 2.295 435 V HA -0.261 3.859 4.120 -0.001 0.000 0.246 435 V C 2.592 178.552 176.094 -0.223 0.000 1.049 435 V CA 1.513 63.705 62.300 -0.180 0.000 1.024 435 V CB -0.571 31.142 31.823 -0.183 0.000 0.648 435 V HN 0.333 nan 8.190 nan 0.000 0.447 436 L N -1.462 119.588 121.223 -0.287 0.000 2.201 436 L HA -0.198 4.141 4.340 -0.001 0.000 0.212 436 L C 2.392 178.678 176.870 -0.973 0.000 1.105 436 L CA 1.767 56.278 54.840 -0.549 0.000 0.775 436 L CB -0.452 41.322 42.059 -0.474 0.000 0.913 436 L HN 0.465 nan 8.230 nan 0.000 0.440 437 Y N 0.295 120.221 120.300 -0.624 0.000 2.220 437 Y HA -0.190 4.360 4.550 -0.001 0.000 0.291 437 Y C 2.338 178.136 175.900 -0.170 0.000 1.129 437 Y CA 1.300 59.163 58.100 -0.396 0.000 1.161 437 Y CB 0.064 38.477 38.460 -0.079 0.000 0.997 437 Y HN -0.015 nan 8.280 nan 0.000 0.522 438 L N -0.134 120.982 121.223 -0.178 0.000 2.042 438 L HA -0.270 4.070 4.340 -0.001 0.000 0.210 438 L C 2.382 179.142 176.870 -0.185 0.000 1.076 438 L CA 1.337 56.060 54.840 -0.194 0.000 0.749 438 L CB -0.750 41.246 42.059 -0.105 0.000 0.893 438 L HN 0.310 nan 8.230 nan 0.000 0.432 439 L N -1.286 119.841 121.223 -0.160 0.000 2.265 439 L HA -0.199 4.140 4.340 -0.001 0.000 0.215 439 L C 2.456 179.443 176.870 0.195 0.000 1.117 439 L CA 0.740 55.572 54.840 -0.013 0.000 0.782 439 L CB -0.341 41.720 42.059 0.004 0.000 0.914 439 L HN 0.175 nan 8.230 nan 0.000 0.441 440 F N -0.156 119.769 119.950 -0.041 0.000 2.293 440 F HA -0.160 4.366 4.527 -0.000 0.000 0.300 440 F C 2.538 178.309 175.800 -0.048 0.000 1.086 440 F CA 0.745 58.708 58.000 -0.062 0.000 1.375 440 F CB -0.511 38.401 39.000 -0.145 0.000 1.045 440 F HN 0.182 nan 8.300 nan 0.000 0.516 441 Q N 0.166 119.993 119.800 0.045 0.000 2.123 441 Q HA 0.102 4.441 4.340 -0.001 0.000 0.193 441 Q C 0.928 176.966 176.000 0.064 0.000 0.981 441 Q CA 0.476 56.282 55.803 0.005 0.000 0.833 441 Q CB -0.544 28.103 28.738 -0.152 0.000 0.914 441 Q HN 0.231 nan 8.270 nan 0.000 0.484 442 R N 2.253 122.699 120.500 -0.090 0.000 2.641 442 R HA 0.076 4.415 4.340 -0.001 0.000 0.269 442 R C -1.498 174.496 176.300 -0.510 0.000 1.074 442 R CA -1.071 54.876 56.100 -0.254 0.000 1.133 442 R CB 0.135 30.229 30.300 -0.343 0.000 1.029 442 R HN 0.131 nan 8.270 nan 0.000 0.488 443 P HA -0.091 nan 4.420 nan 0.000 0.222 443 P C -0.350 176.778 177.300 -0.287 0.000 1.153 443 P CA 1.182 63.519 63.100 -1.271 0.000 0.798 443 P CB 0.183 31.450 31.700 -0.723 0.000 0.796 444 F N -1.471 118.348 119.950 -0.218 0.000 2.613 444 F HA 0.738 5.264 4.527 -0.001 0.000 0.310 444 F C -1.332 174.453 175.800 -0.025 0.000 1.085 444 F CA -2.134 55.839 58.000 -0.045 0.000 0.945 444 F CB 0.601 39.617 39.000 0.026 0.000 1.298 444 F HN -0.345 nan 8.300 nan 0.000 0.455 445 I N 1.173 121.752 120.570 0.015 0.000 2.740 445 I HA 0.744 4.913 4.170 -0.001 0.000 0.303 445 I C -0.651 175.557 176.117 0.151 0.000 1.044 445 I CA -0.128 61.129 61.300 -0.072 0.000 1.064 445 I CB 2.366 40.362 38.000 -0.007 0.000 1.249 445 I HN 0.903 nan 8.210 nan 0.000 0.433 446 T N 5.677 120.270 114.554 0.066 0.000 2.916 446 T HA 0.369 4.719 4.350 -0.001 0.000 0.292 446 T C 1.144 175.924 174.700 0.134 0.000 1.055 446 T CA -0.436 61.766 62.100 0.169 0.000 1.009 446 T CB 1.093 70.031 68.868 0.116 0.000 1.118 446 T HN 0.599 nan 8.240 nan 0.000 0.497 447 I N 1.630 122.318 120.570 0.197 0.000 2.185 447 I HA -0.205 3.964 4.170 -0.001 0.000 0.246 447 I C 1.697 177.847 176.117 0.055 0.000 1.088 447 I CA 1.936 63.314 61.300 0.130 0.000 1.347 447 I CB 0.162 38.264 38.000 0.170 0.000 1.041 447 I HN 0.636 nan 8.210 nan 0.000 0.415 448 D N -0.123 120.303 120.400 0.044 0.000 2.183 448 D HA -0.106 4.533 4.640 -0.001 0.000 0.203 448 D C 2.244 178.542 176.300 -0.003 0.000 0.969 448 D CA 1.205 55.215 54.000 0.016 0.000 0.842 448 D CB 0.119 40.926 40.800 0.012 0.000 0.957 448 D HN 0.299 nan 8.370 nan 0.000 0.484 449 V N 0.272 120.178 119.914 -0.014 0.000 2.453 449 V HA -0.155 3.965 4.120 -0.001 0.000 0.247 449 V C 2.641 178.713 176.094 -0.037 0.000 1.048 449 V CA 0.778 63.053 62.300 -0.042 0.000 1.049 449 V CB -0.330 31.437 31.823 -0.092 0.000 0.672 449 V HN 0.039 nan 8.190 nan 0.000 0.457 450 V N 0.582 120.477 119.914 -0.031 0.000 2.407 450 V HA -0.235 3.885 4.120 -0.001 0.000 0.248 450 V C 2.729 178.799 176.094 -0.041 0.000 1.055 450 V CA 1.911 64.181 62.300 -0.049 0.000 1.049 450 V CB -1.143 30.642 31.823 -0.064 0.000 0.662 450 V HN 0.542 nan 8.190 nan 0.000 0.455 451 A N -0.017 122.789 122.820 -0.023 0.000 1.858 451 A HA -0.244 4.076 4.320 -0.001 0.000 0.216 451 A C 2.389 179.962 177.584 -0.018 0.000 1.190 451 A CA 1.919 53.945 52.037 -0.017 0.000 0.617 451 A CB -0.588 18.408 19.000 -0.008 0.000 0.827 451 A HN 0.443 nan 8.150 nan 0.000 0.443 452 R N -0.913 119.578 120.500 -0.014 0.000 2.159 452 R HA -0.129 4.211 4.340 -0.001 0.000 0.237 452 R C 2.234 178.530 176.300 -0.005 0.000 1.131 452 R CA 0.967 57.062 56.100 -0.009 0.000 0.982 452 R CB -0.484 29.812 30.300 -0.005 0.000 0.868 452 R HN 0.582 nan 8.270 nan 0.000 0.453 453 G N 0.568 109.361 108.800 -0.012 0.000 2.394 453 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.214 453 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.214 453 G C 1.335 176.217 174.900 -0.030 0.000 1.176 453 G CA 0.241 45.337 45.100 -0.007 0.000 0.786 453 G HN 0.173 nan 8.290 nan 0.000 0.533 454 L N -1.019 120.182 121.223 -0.037 0.000 2.313 454 L HA 0.128 4.468 4.340 -0.001 0.000 0.214 454 L C 1.703 178.573 176.870 0.000 0.000 1.119 454 L CA 0.671 55.505 54.840 -0.010 0.000 0.809 454 L CB -0.169 41.889 42.059 -0.003 0.000 0.933 454 L HN 0.294 nan 8.230 nan 0.000 0.449 455 Q N -0.768 119.023 119.800 -0.015 0.000 2.493 455 Q HA -0.203 4.137 4.340 -0.001 0.000 0.260 455 Q C 0.421 176.407 176.000 -0.023 0.000 0.905 455 Q CA 0.583 56.373 55.803 -0.022 0.000 1.140 455 Q CB -0.908 27.808 28.738 -0.036 0.000 1.435 455 Q HN 0.488 nan 8.270 nan 0.000 0.581 456 S N -2.153 113.539 115.700 -0.013 0.000 2.753 456 S HA 0.846 5.315 4.470 -0.001 0.000 0.302 456 S C 0.546 175.128 174.600 -0.030 0.000 1.104 456 S CA -0.195 57.993 58.200 -0.020 0.000 0.968 456 S CB 1.416 64.626 63.200 0.017 0.000 1.278 456 S HN 0.399 nan 8.310 nan 0.000 0.549 457 G N 0.338 109.117 108.800 -0.036 0.000 2.535 457 G HA2 0.309 4.268 3.960 -0.001 0.000 0.282 457 G HA3 0.309 4.268 3.960 -0.001 0.000 0.282 457 G C 0.303 175.200 174.900 -0.006 0.000 1.350 457 G CA -0.292 44.792 45.100 -0.027 0.000 1.039 457 G HN 0.743 nan 8.290 nan 0.000 0.509 458 K N -0.892 119.512 120.400 0.006 0.000 2.057 458 K HA -0.061 4.259 4.320 -0.001 0.000 0.206 458 K C 2.284 178.904 176.600 0.034 0.000 1.050 458 K CA 1.217 57.517 56.287 0.022 0.000 0.935 458 K CB -0.034 32.485 32.500 0.031 0.000 0.715 458 K HN 0.398 nan 8.250 nan 0.000 0.439 459 E N 1.240 121.467 120.200 0.044 0.000 2.038 459 E HA -0.182 4.168 4.350 -0.001 0.000 0.195 459 E C 1.822 178.451 176.600 0.049 0.000 1.000 459 E CA 1.753 58.196 56.400 0.073 0.000 0.803 459 E CB -0.269 29.479 29.700 0.079 0.000 0.750 459 E HN 0.299 nan 8.360 nan 0.000 0.448 460 A N 0.470 123.303 122.820 0.021 0.000 1.933 460 A HA -0.058 4.262 4.320 -0.001 0.000 0.218 460 A C 2.396 179.978 177.584 -0.003 0.000 1.175 460 A CA 2.126 54.171 52.037 0.013 0.000 0.628 460 A CB -0.915 18.098 19.000 0.023 0.000 0.814 460 A HN 0.344 nan 8.150 nan 0.000 0.444 461 A N -0.367 122.449 122.820 -0.007 0.000 1.877 461 A HA -0.192 4.128 4.320 -0.001 0.000 0.216 461 A C 2.270 179.824 177.584 -0.050 0.000 1.186 461 A CA 1.747 53.765 52.037 -0.031 0.000 0.620 461 A CB -0.532 18.460 19.000 -0.014 0.000 0.822 461 A HN 0.522 nan 8.150 nan 0.000 0.443 462 R N -0.461 120.030 120.500 -0.015 0.000 2.091 462 R HA -0.210 4.130 4.340 -0.001 0.000 0.238 462 R C 2.198 178.470 176.300 -0.048 0.000 1.136 462 R CA 1.813 57.900 56.100 -0.022 0.000 0.959 462 R CB -0.356 29.970 30.300 0.042 0.000 0.856 462 R HN 0.670 nan 8.270 nan 0.000 0.437 463 N N 0.194 118.888 118.700 -0.008 0.000 2.058 463 N HA -0.163 4.577 4.740 -0.001 0.000 0.191 463 N C 1.583 177.057 175.510 -0.060 0.000 1.037 463 N CA 2.041 55.088 53.050 -0.005 0.000 0.848 463 N CB -0.251 38.250 38.487 0.024 0.000 1.021 463 N HN 0.276 nan 8.380 nan 0.000 0.422 464 A N 0.722 123.495 122.820 -0.080 0.000 1.873 464 A HA -0.128 4.191 4.320 -0.001 0.000 0.218 464 A C 2.401 179.876 177.584 -0.182 0.000 1.193 464 A CA 1.526 53.491 52.037 -0.120 0.000 0.629 464 A CB -1.144 17.778 19.000 -0.131 0.000 0.826 464 A HN 0.403 nan 8.150 nan 0.000 0.447 465 L N -0.719 120.354 121.223 -0.249 0.000 2.043 465 L HA -0.227 4.112 4.340 -0.001 0.000 0.212 465 L C 2.765 179.399 176.870 -0.393 0.000 1.075 465 L CA 1.513 56.090 54.840 -0.440 0.000 0.752 465 L CB -0.531 41.120 42.059 -0.681 0.000 0.891 465 L HN 0.376 nan 8.230 nan 0.000 0.432 466 E N 0.019 120.072 120.200 -0.246 0.000 2.058 466 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 466 E C 2.280 178.812 176.600 -0.114 0.000 0.997 466 E CA 1.499 57.810 56.400 -0.149 0.000 0.801 466 E CB -0.270 29.392 29.700 -0.064 0.000 0.746 466 E HN 0.491 nan 8.360 nan 0.000 0.450 467 A N 1.507 124.268 122.820 -0.099 0.000 1.865 467 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 467 A C 2.457 179.989 177.584 -0.086 0.000 1.191 467 A CA 2.598 54.592 52.037 -0.071 0.000 0.623 467 A CB -0.834 18.129 19.000 -0.061 0.000 0.826 467 A HN 0.293 nan 8.150 nan 0.000 0.444 468 A N -0.605 122.137 122.820 -0.129 0.000 1.908 468 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 468 A C 2.276 179.791 177.584 -0.115 0.000 1.181 468 A CA 1.874 53.834 52.037 -0.129 0.000 0.627 468 A CB -0.566 18.327 19.000 -0.178 0.000 0.818 468 A HN 0.558 nan 8.150 nan 0.000 0.445 469 R N -0.518 119.884 120.500 -0.163 0.000 2.091 469 R HA -0.188 4.151 4.340 -0.001 0.000 0.238 469 R C 2.135 178.420 176.300 -0.025 0.000 1.136 469 R CA 1.984 58.023 56.100 -0.102 0.000 0.959 469 R CB -0.248 29.977 30.300 -0.125 0.000 0.856 469 R HN 0.697 nan 8.270 nan 0.000 0.437 470 Q N -0.555 119.226 119.800 -0.031 0.000 2.432 470 Q HA 0.028 4.367 4.340 -0.001 0.000 0.205 470 Q C -0.031 175.967 176.000 -0.002 0.000 0.945 470 Q CA 0.515 56.315 55.803 -0.005 0.000 0.924 470 Q CB 0.604 29.339 28.738 -0.005 0.000 1.016 470 Q HN 0.243 nan 8.270 nan 0.000 0.503 471 T N 0.474 115.020 114.554 -0.013 0.000 2.898 471 T HA 0.225 4.574 4.350 -0.001 0.000 0.301 471 T C 0.054 174.759 174.700 0.008 0.000 1.049 471 T CA 0.153 62.249 62.100 -0.005 0.000 1.095 471 T CB 1.361 70.219 68.868 -0.016 0.000 0.976 471 T HN -0.004 nan 8.240 nan 0.000 0.539 472 T N 1.004 115.567 114.554 0.015 0.000 2.993 472 T HA 0.585 4.934 4.350 -0.001 0.000 0.312 472 T C -1.303 173.413 174.700 0.026 0.000 1.115 472 T CA -0.702 61.412 62.100 0.024 0.000 1.027 472 T CB 0.956 69.839 68.868 0.025 0.000 1.116 472 T HN 0.683 nan 8.240 nan 0.000 0.464 473 V N 1.979 121.912 119.914 0.032 0.000 2.789 473 V HA 0.915 5.034 4.120 -0.001 0.000 0.311 473 V C 0.844 176.957 176.094 0.032 0.000 1.073 473 V CA -0.064 62.256 62.300 0.032 0.000 0.921 473 V CB 0.786 32.632 31.823 0.039 0.000 1.009 473 V HN 2.128 nan 8.190 nan 0.000 0.426 474 A N 2.315 125.152 122.820 0.028 0.000 2.945 474 A HA 0.092 4.412 4.320 -0.001 0.000 0.263 474 A C 2.246 179.845 177.584 0.025 0.000 1.293 474 A CA 2.046 54.098 52.037 0.025 0.000 0.944 474 A CB -1.816 17.200 19.000 0.026 0.000 1.093 474 A HN 3.247 nan 8.150 nan 0.000 0.786 475 G N -3.530 105.285 108.800 0.026 0.000 2.157 475 G HA2 0.349 4.308 3.960 -0.001 0.000 0.239 475 G HA3 0.349 4.308 3.960 -0.001 0.000 0.239 475 G C 0.550 175.467 174.900 0.030 0.000 0.982 475 G CA 1.151 46.266 45.100 0.025 0.000 0.650 475 G HN 2.642 nan 8.290 nan 0.000 0.527 476 A N 0.087 122.927 122.820 0.034 0.000 2.454 476 A HA 0.943 5.263 4.320 -0.001 0.000 0.302 476 A C -2.637 174.974 177.584 0.045 0.000 1.079 476 A CA -1.399 50.663 52.037 0.042 0.000 0.731 476 A CB 2.095 21.123 19.000 0.045 0.000 1.299 476 A HN 0.195 nan 8.150 nan 0.000 0.413 477 P HA 0.049 nan 4.420 nan 0.000 0.265 477 P C 0.989 178.324 177.300 0.059 0.000 1.193 477 P CA 0.006 63.139 63.100 0.055 0.000 0.765 477 P CB 0.754 32.497 31.700 0.072 0.000 0.823 478 L N 2.940 124.187 121.223 0.040 0.000 1.997 478 L HA -0.157 4.182 4.340 -0.001 0.000 0.216 478 L C 1.455 178.362 176.870 0.061 0.000 1.074 478 L CA 1.914 56.777 54.840 0.038 0.000 0.763 478 L CB -0.282 41.780 42.059 0.004 0.000 0.890 478 L HN 0.458 nan 8.230 nan 0.000 0.434 479 I N -3.676 116.934 120.570 0.067 0.000 2.797 479 I HA 0.506 4.676 4.170 -0.001 0.000 0.307 479 I C -0.722 175.528 176.117 0.221 0.000 1.033 479 I CA -0.906 60.474 61.300 0.135 0.000 1.071 479 I CB 2.420 40.477 38.000 0.096 0.000 1.255 479 I HN -0.174 nan 8.210 nan 0.000 0.445 480 I N 3.244 123.988 120.570 0.290 0.000 2.740 480 I HA 0.813 4.983 4.170 -0.001 0.000 0.303 480 I C -0.273 176.046 176.117 0.336 0.000 1.044 480 I CA -0.544 60.926 61.300 0.283 0.000 1.064 480 I CB 1.958 40.064 38.000 0.178 0.000 1.249 480 I HN 0.881 nan 8.210 nan 0.000 0.433 481 A N 4.233 127.165 122.820 0.187 0.000 2.293 481 A HA 0.707 5.026 4.320 -0.001 0.000 0.302 481 A C -1.339 176.245 177.584 0.000 0.000 1.119 481 A CA -0.041 51.908 52.037 -0.147 0.000 0.823 481 A CB 0.243 19.071 19.000 -0.287 0.000 1.097 481 A HN 0.848 nan 8.150 nan 0.000 0.491 482 H N 0.001 118.956 119.070 -0.192 0.000 3.149 482 H HA 0.405 4.960 4.556 -0.001 0.000 0.334 482 H C -0.119 175.164 175.328 -0.075 0.000 1.000 482 H CA 0.445 56.455 56.048 -0.063 0.000 1.415 482 H CB 0.850 30.636 29.762 0.040 0.000 1.819 482 H HN 0.974 nan 8.280 nan 0.000 0.486 483 D N 2.617 122.835 120.400 -0.305 0.000 4.259 483 D HA -0.248 4.391 4.640 -0.001 0.000 0.150 483 D C 1.141 177.312 176.300 -0.214 0.000 0.731 483 D CA 3.077 56.962 54.000 -0.192 0.000 1.138 483 D CB -1.055 39.737 40.800 -0.013 0.000 0.540 483 D HN 0.707 nan 8.370 nan 0.000 0.507 484 G N -0.353 108.313 108.800 -0.223 0.000 3.993 484 G HA2 0.504 4.464 3.960 -0.001 0.000 0.294 484 G HA3 0.504 4.464 3.960 -0.001 0.000 0.294 484 G C -0.315 174.388 174.900 -0.328 0.000 1.043 484 G CA 0.392 45.320 45.100 -0.287 0.000 0.839 484 G HN 0.698 nan 8.290 nan 0.000 0.516 485 V N -5.339 114.379 119.914 -0.326 0.000 3.160 485 V HA 0.795 4.915 4.120 -0.001 0.000 0.310 485 V C -1.269 174.708 176.094 -0.194 0.000 1.181 485 V CA -1.852 60.358 62.300 -0.149 0.000 1.047 485 V CB 2.227 34.041 31.823 -0.014 0.000 1.068 485 V HN 0.114 nan 8.190 nan 0.000 0.441 486 W N 2.065 123.461 121.300 0.160 0.000 2.666 486 W HA 0.850 5.509 4.660 -0.001 0.000 0.334 486 W C -1.188 175.423 176.519 0.155 0.000 1.051 486 W CA -0.555 56.868 57.345 0.131 0.000 1.224 486 W CB 2.015 31.520 29.460 0.074 0.000 1.405 486 W HN 0.796 nan 8.180 nan 0.000 0.513 487 L N 2.009 123.448 121.223 0.361 0.000 2.434 487 L HA 0.520 4.860 4.340 -0.001 0.000 0.260 487 L C -0.439 176.566 176.870 0.225 0.000 0.983 487 L CA -1.285 53.713 54.840 0.264 0.000 0.820 487 L CB 0.675 42.870 42.059 0.225 0.000 1.361 487 L HN 0.111 nan 8.230 nan 0.000 0.410 488 L N 2.207 123.554 121.223 0.207 0.000 2.653 488 L HA 0.324 4.663 4.340 -0.001 0.000 0.288 488 L C 0.997 177.963 176.870 0.160 0.000 1.243 488 L CA 1.139 56.089 54.840 0.182 0.000 0.906 488 L CB 0.058 42.253 42.059 0.227 0.000 1.154 488 L HN 0.893 nan 8.230 nan 0.000 0.498 489 G N 3.953 112.831 108.800 0.131 0.000 2.544 489 G HA2 -0.006 3.953 3.960 -0.001 0.000 0.242 489 G HA3 -0.006 3.953 3.960 -0.001 0.000 0.242 489 G C 0.740 175.695 174.900 0.091 0.000 1.247 489 G CA -0.050 45.115 45.100 0.109 0.000 0.840 489 G HN 0.933 nan 8.290 nan 0.000 0.578 490 N N 0.887 119.632 118.700 0.074 0.000 2.364 490 N HA -0.157 4.583 4.740 -0.001 0.000 0.183 490 N C 2.510 178.046 175.510 0.044 0.000 1.022 490 N CA 0.709 53.792 53.050 0.055 0.000 0.883 490 N CB 0.081 38.594 38.487 0.043 0.000 0.965 490 N HN 0.574 nan 8.380 nan 0.000 0.438 491 A N 1.049 123.899 122.820 0.049 0.000 1.858 491 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 491 A C 2.549 180.158 177.584 0.041 0.000 1.190 491 A CA 1.196 53.257 52.037 0.041 0.000 0.617 491 A CB -0.910 18.117 19.000 0.044 0.000 0.827 491 A HN 0.444 nan 8.150 nan 0.000 0.443 492 C N -1.103 118.232 119.300 0.059 0.000 2.440 492 C HA -0.013 4.446 4.460 -0.001 0.000 0.278 492 C C 2.772 177.792 174.990 0.050 0.000 1.295 492 C CA 0.759 59.820 59.018 0.070 0.000 1.738 492 C CB -1.416 26.393 27.740 0.114 0.000 1.987 492 C HN 0.591 nan 8.230 nan 0.000 0.492 493 R N 1.109 121.638 120.500 0.047 0.000 2.119 493 R HA -0.158 4.181 4.340 -0.001 0.000 0.246 493 R C 2.100 178.386 176.300 -0.024 0.000 1.146 493 R CA 1.483 57.588 56.100 0.007 0.000 0.962 493 R CB -0.327 29.984 30.300 0.019 0.000 0.863 493 R HN 0.598 nan 8.270 nan 0.000 0.442 494 E N 0.361 120.556 120.200 -0.008 0.000 2.110 494 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 494 E C 2.029 178.612 176.600 -0.027 0.000 0.988 494 E CA 0.899 57.288 56.400 -0.018 0.000 0.804 494 E CB -0.043 29.654 29.700 -0.005 0.000 0.745 494 E HN 0.326 nan 8.360 nan 0.000 0.458 495 I N 0.606 121.165 120.570 -0.019 0.000 2.333 495 I HA -0.157 4.012 4.170 -0.001 0.000 0.246 495 I C 1.967 178.048 176.117 -0.061 0.000 1.106 495 I CA 0.597 61.881 61.300 -0.027 0.000 1.411 495 I CB -0.913 37.085 38.000 -0.005 0.000 1.082 495 I HN 0.091 nan 8.210 nan 0.000 0.420 496 L N 0.730 121.907 121.223 -0.077 0.000 2.622 496 L HA -0.021 4.319 4.340 -0.001 0.000 0.233 496 L C 2.331 179.101 176.870 -0.166 0.000 1.156 496 L CA 0.989 55.735 54.840 -0.156 0.000 0.866 496 L CB -1.309 40.635 42.059 -0.192 0.000 0.980 496 L HN 0.279 nan 8.230 nan 0.000 0.448 497 R N -0.154 120.275 120.500 -0.118 0.000 2.112 497 R HA -0.024 4.315 4.340 -0.001 0.000 0.216 497 R C 1.869 178.108 176.300 -0.102 0.000 1.080 497 R CA 0.362 56.394 56.100 -0.114 0.000 0.996 497 R CB 0.103 30.353 30.300 -0.084 0.000 0.902 497 R HN 0.273 nan 8.270 nan 0.000 0.449 498 K N 0.712 121.061 120.400 -0.085 0.000 2.442 498 K HA -0.042 4.277 4.320 -0.001 0.000 0.199 498 K C 0.356 176.906 176.600 -0.084 0.000 1.044 498 K CA 0.484 56.729 56.287 -0.071 0.000 0.941 498 K CB -0.112 32.355 32.500 -0.056 0.000 0.759 498 K HN -0.013 nan 8.250 nan 0.000 0.472 499 V N 2.216 122.059 119.914 -0.119 0.000 2.740 499 V HA -0.039 4.081 4.120 -0.001 0.000 0.303 499 V C 0.516 176.543 176.094 -0.113 0.000 1.054 499 V CA -0.176 62.042 62.300 -0.136 0.000 1.106 499 V CB 0.898 32.595 31.823 -0.210 0.000 0.957 499 V HN 0.207 nan 8.190 nan 0.000 0.486 500 E N 6.227 126.373 120.200 -0.090 0.000 2.217 500 E HA 0.193 4.543 4.350 -0.001 0.000 0.279 500 E C -2.158 174.395 176.600 -0.078 0.000 1.068 500 E CA -1.808 54.552 56.400 -0.066 0.000 0.882 500 E CB 0.734 30.411 29.700 -0.038 0.000 1.039 500 E HN 0.538 nan 8.360 nan 0.000 0.418 501 P HA -0.045 nan 4.420 nan 0.000 0.258 501 P C -1.035 176.238 177.300 -0.046 0.000 1.187 501 P CA 0.336 63.392 63.100 -0.072 0.000 0.767 501 P CB 0.826 32.491 31.700 -0.058 0.000 0.770 502 S N 3.389 119.060 115.700 -0.048 0.000 2.636 502 S HA 0.499 4.969 4.470 -0.001 0.000 0.268 502 S C -2.938 171.671 174.600 0.015 0.000 1.159 502 S CA -1.031 57.169 58.200 -0.000 0.000 0.815 502 S CB 1.424 64.643 63.200 0.032 0.000 1.130 502 S HN 0.410 nan 8.310 nan 0.000 0.471 503 P HA 0.270 nan 4.420 nan 0.000 0.271 503 P C 0.492 177.935 177.300 0.239 0.000 1.218 503 P CA 0.298 63.467 63.100 0.115 0.000 0.780 503 P CB 0.003 31.771 31.700 0.114 0.000 0.901 504 F N -0.268 119.694 119.950 0.020 0.000 2.558 504 F HA -0.277 4.249 4.527 -0.001 0.000 0.554 504 F C 0.311 176.121 175.800 0.016 0.000 0.517 504 F CA 1.495 59.517 58.000 0.037 0.000 1.084 504 F CB -2.354 36.677 39.000 0.053 0.000 1.821 504 F HN 0.370 nan 8.300 nan 0.000 0.262 505 S N 4.391 119.774 115.700 -0.528 0.000 2.554 505 S HA 0.290 4.760 4.470 -0.001 0.000 0.290 505 S C -1.615 172.694 174.600 -0.485 0.000 1.309 505 S CA -0.231 57.589 58.200 -0.632 0.000 1.047 505 S CB 0.223 63.231 63.200 -0.319 0.000 0.828 505 S HN 0.546 nan 8.310 nan 0.000 0.509 506 P HA 0.108 nan 4.420 nan 0.000 0.274 506 P C 0.475 177.570 177.300 -0.341 0.000 1.256 506 P CA 0.037 62.860 63.100 -0.461 0.000 0.795 506 P CB 0.126 31.342 31.700 -0.806 0.000 1.038 507 V N -1.545 118.200 119.914 -0.282 0.000 5.176 507 V HA -0.286 3.833 4.120 -0.001 0.000 0.252 507 V C 1.218 176.987 176.094 -0.542 0.000 0.665 507 V CA 1.621 63.578 62.300 -0.571 0.000 0.654 507 V CB -2.711 28.798 31.823 -0.523 0.000 0.440 507 V HN 0.760 nan 8.190 nan 0.000 0.806 508 R N 0.020 120.357 120.500 -0.271 0.000 2.339 508 R HA 0.111 4.450 4.340 -0.001 0.000 0.199 508 R C 1.456 177.724 176.300 -0.052 0.000 1.018 508 R CA 1.389 57.406 56.100 -0.138 0.000 1.036 508 R CB -0.669 29.602 30.300 -0.049 0.000 0.899 508 R HN 0.955 nan 8.270 nan 0.000 0.473 509 Y N -1.741 118.552 120.300 -0.011 0.000 2.458 509 Y HA 0.399 4.948 4.550 -0.000 0.000 0.256 509 Y C 0.847 176.751 175.900 0.007 0.000 1.159 509 Y CA -0.688 57.417 58.100 0.008 0.000 1.261 509 Y CB 0.184 38.663 38.460 0.032 0.000 1.119 509 Y HN -0.103 nan 8.280 nan 0.000 0.524 510 L N 1.242 122.338 121.223 -0.212 0.000 2.862 510 L HA 0.264 4.604 4.340 -0.001 0.000 0.240 510 L C 0.030 176.867 176.870 -0.055 0.000 1.283 510 L CA -0.127 54.645 54.840 -0.115 0.000 1.117 510 L CB -0.453 41.476 42.059 -0.216 0.000 1.444 510 L HN 0.146 nan 8.230 nan 0.000 0.456 511 S N -1.125 114.565 115.700 -0.016 0.000 2.690 511 S HA 0.188 4.658 4.470 -0.001 0.000 0.291 511 S C 1.066 175.668 174.600 0.003 0.000 1.138 511 S CA -0.436 57.756 58.200 -0.013 0.000 1.013 511 S CB 2.080 65.274 63.200 -0.010 0.000 1.053 511 S HN 0.217 nan 8.310 nan 0.000 0.539 512 T N 0.241 114.792 114.554 -0.005 0.000 3.060 512 T HA 0.045 4.395 4.350 -0.001 0.000 0.249 512 T C 0.255 174.954 174.700 -0.002 0.000 1.079 512 T CA -0.115 61.983 62.100 -0.004 0.000 1.013 512 T CB -0.425 68.437 68.868 -0.009 0.000 0.975 512 T HN 0.585 nan 8.240 nan 0.000 0.518 513 D N 1.859 122.259 120.400 -0.000 0.000 2.487 513 D HA -0.022 4.617 4.640 -0.001 0.000 0.243 513 D C 1.426 177.729 176.300 0.005 0.000 1.154 513 D CA 0.106 54.106 54.000 0.001 0.000 0.876 513 D CB 1.207 42.009 40.800 0.003 0.000 1.161 513 D HN 0.424 nan 8.370 nan 0.000 0.478 514 Q N 3.716 123.515 119.800 -0.001 0.000 2.364 514 Q HA -0.132 4.207 4.340 -0.001 0.000 0.209 514 Q C 1.619 177.621 176.000 0.003 0.000 0.977 514 Q CA 1.702 57.503 55.803 -0.003 0.000 0.885 514 Q CB -0.370 28.361 28.738 -0.010 0.000 0.941 514 Q HN 0.400 nan 8.270 nan 0.000 0.464 515 A N 0.895 123.720 122.820 0.008 0.000 1.873 515 A HA -0.151 4.168 4.320 -0.001 0.000 0.215 515 A C 2.098 179.698 177.584 0.027 0.000 1.186 515 A CA 1.387 53.433 52.037 0.015 0.000 0.616 515 A CB -0.372 18.636 19.000 0.014 0.000 0.823 515 A HN 0.305 nan 8.150 nan 0.000 0.442 516 E N 0.077 120.297 120.200 0.034 0.000 2.072 516 E HA -0.088 4.262 4.350 -0.001 0.000 0.190 516 E C 2.100 178.737 176.600 0.061 0.000 0.982 516 E CA 0.786 57.221 56.400 0.058 0.000 0.803 516 E CB -0.469 29.273 29.700 0.069 0.000 0.755 516 E HN 0.635 nan 8.360 nan 0.000 0.453 517 L N 0.667 121.915 121.223 0.042 0.000 2.043 517 L HA -0.218 4.122 4.340 -0.001 0.000 0.212 517 L C 2.520 179.403 176.870 0.021 0.000 1.075 517 L CA 1.592 56.450 54.840 0.029 0.000 0.752 517 L CB -0.658 41.404 42.059 0.006 0.000 0.891 517 L HN 0.120 nan 8.230 nan 0.000 0.432 518 T N -1.173 113.391 114.554 0.015 0.000 2.777 518 T HA -0.158 4.192 4.350 -0.001 0.000 0.266 518 T C 1.674 176.395 174.700 0.035 0.000 1.040 518 T CA 1.533 63.640 62.100 0.012 0.000 1.141 518 T CB -0.324 68.547 68.868 0.005 0.000 0.868 518 T HN 0.378 nan 8.240 nan 0.000 0.444 519 N N 0.500 119.227 118.700 0.045 0.000 2.188 519 N HA -0.036 4.703 4.740 -0.001 0.000 0.184 519 N C 2.087 177.647 175.510 0.083 0.000 1.018 519 N CA 0.829 53.915 53.050 0.059 0.000 0.858 519 N CB -0.092 38.429 38.487 0.056 0.000 0.989 519 N HN 0.345 nan 8.380 nan 0.000 0.426 520 A N 1.039 123.911 122.820 0.087 0.000 1.929 520 A HA 0.213 4.532 4.320 -0.001 0.000 0.216 520 A C 1.287 178.958 177.584 0.144 0.000 1.176 520 A CA 0.855 52.959 52.037 0.112 0.000 0.628 520 A CB -0.516 18.541 19.000 0.095 0.000 0.816 520 A HN 0.355 nan 8.150 nan 0.000 0.444 524 W N 1.283 122.661 121.300 0.129 0.000 2.407 524 W HA -0.025 4.635 4.660 -0.001 0.000 0.305 524 W C 1.814 178.326 176.519 -0.012 0.000 1.196 524 W CA 2.074 59.384 57.345 -0.060 0.000 1.311 524 W CB -0.398 28.943 29.460 -0.198 0.000 1.135 524 W HN 0.187 nan 8.180 nan 0.000 0.514 525 L N 1.620 123.076 121.223 0.390 0.000 2.042 525 L HA -0.286 4.054 4.340 -0.001 0.000 0.210 525 L C 2.793 179.746 176.870 0.138 0.000 1.076 525 L CA 2.165 57.164 54.840 0.265 0.000 0.749 525 L CB -1.170 41.002 42.059 0.188 0.000 0.893 525 L HN -0.047 nan 8.230 nan 0.000 0.432 526 S N -1.320 114.453 115.700 0.122 0.000 2.406 526 S HA -0.078 4.391 4.470 -0.001 0.000 0.228 526 S C 1.656 176.288 174.600 0.053 0.000 1.020 526 S CA 0.699 58.947 58.200 0.080 0.000 0.965 526 S CB -0.102 63.146 63.200 0.079 0.000 0.798 526 S HN 0.497 nan 8.310 nan 0.000 0.488 527 E N 0.605 120.838 120.200 0.056 0.000 2.134 527 E HA 0.113 4.462 4.350 -0.001 0.000 0.194 527 E C 2.099 178.645 176.600 -0.091 0.000 0.937 527 E CA 0.575 56.990 56.400 0.026 0.000 0.874 527 E CB -0.092 29.692 29.700 0.141 0.000 0.853 527 E HN 0.280 nan 8.360 nan 0.000 0.471 528 V N 0.310 120.041 119.914 -0.305 0.000 2.232 528 V HA 0.017 4.136 4.120 -0.001 0.000 0.239 528 V C 1.442 177.384 176.094 -0.252 0.000 1.040 528 V CA 1.828 63.818 62.300 -0.516 0.000 0.996 528 V CB -0.434 30.530 31.823 -1.431 0.000 0.638 528 V HN 0.553 nan 8.190 nan 0.000 0.453 529 G N -0.932 107.784 108.800 -0.139 0.000 2.341 529 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.059 529 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.059 529 G C -1.633 173.399 174.900 0.220 0.000 0.897 529 G CA -0.209 44.921 45.100 0.050 0.000 1.142 529 G HN 0.265 nan 8.290 nan 0.000 0.433 530 D N 1.897 122.422 120.400 0.207 0.000 2.358 530 D HA 0.294 4.934 4.640 -0.001 0.000 0.258 530 D C 0.140 176.617 176.300 0.295 0.000 1.223 530 D CA 0.176 54.294 54.000 0.197 0.000 0.886 530 D CB 1.713 42.566 40.800 0.089 0.000 1.120 530 D HN 0.419 nan 8.370 nan 0.000 0.482 531 L N 1.973 123.301 121.223 0.176 0.000 2.281 531 L HA 0.422 4.761 4.340 -0.001 0.000 0.285 531 L C -0.149 176.635 176.870 -0.143 0.000 1.074 531 L CA -0.380 54.332 54.840 -0.212 0.000 0.817 531 L CB 0.657 42.600 42.059 -0.194 0.000 1.168 531 L HN 0.299 nan 8.230 nan 0.000 0.434 532 A N 3.182 125.817 122.820 -0.307 0.000 2.293 532 A HA 0.295 4.615 4.320 -0.001 0.000 0.302 532 A C 1.023 178.532 177.584 -0.125 0.000 1.119 532 A CA 0.032 51.974 52.037 -0.159 0.000 0.823 532 A CB 1.317 20.219 19.000 -0.163 0.000 1.097 532 A HN 0.841 nan 8.150 nan 0.000 0.491 533 T N 0.292 114.863 114.554 0.027 0.000 2.977 533 T HA -0.135 4.215 4.350 -0.001 0.000 0.271 533 T C 1.806 176.465 174.700 -0.068 0.000 1.105 533 T CA 2.487 64.600 62.100 0.022 0.000 1.116 533 T CB -0.527 68.404 68.868 0.105 0.000 0.878 533 T HN 0.970 nan 8.240 nan 0.000 0.509 534 S N 0.652 116.301 115.700 -0.085 0.000 2.395 534 S HA -0.054 4.416 4.470 -0.001 0.000 0.225 534 S C 1.683 176.208 174.600 -0.125 0.000 1.027 534 S CA 0.759 58.917 58.200 -0.070 0.000 0.965 534 S CB -0.288 62.900 63.200 -0.020 0.000 0.812 534 S HN 0.516 nan 8.310 nan 0.000 0.482 535 D N 1.610 121.858 120.400 -0.253 0.000 2.149 535 D HA 0.006 4.646 4.640 -0.001 0.000 0.198 535 D C 1.236 177.292 176.300 -0.406 0.000 0.990 535 D CA 0.413 54.133 54.000 -0.466 0.000 0.839 535 D CB -0.446 39.595 40.800 -1.264 0.000 0.948 535 D HN 0.297 nan 8.370 nan 0.000 0.460 541 G N 2.323 111.154 108.800 0.052 0.000 2.363 541 G HA2 0.059 4.018 3.960 -0.001 0.000 0.286 541 G HA3 0.059 4.018 3.960 -0.001 0.000 0.286 541 G C -0.308 174.597 174.900 0.008 0.000 0.975 541 G CA 1.033 46.146 45.100 0.021 0.000 1.309 541 G HN 1.711 nan 8.290 nan 0.000 0.491 542 V N -2.598 117.315 119.914 -0.002 0.000 3.164 542 V HA 0.938 5.058 4.120 -0.001 0.000 0.313 542 V C 0.640 176.726 176.094 -0.013 0.000 1.188 542 V CA -0.541 61.755 62.300 -0.007 0.000 1.058 542 V CB 1.637 33.456 31.823 -0.006 0.000 1.110 542 V HN 0.649 nan 8.190 nan 0.000 0.453 543 S N 0.134 115.826 115.700 -0.013 0.000 2.592 543 S HA 0.330 4.800 4.470 -0.001 0.000 0.271 543 S C 1.029 175.618 174.600 -0.017 0.000 1.326 543 S CA 0.045 58.237 58.200 -0.013 0.000 1.024 543 S CB 1.009 64.203 63.200 -0.011 0.000 0.921 543 S HN 0.940 nan 8.310 nan 0.000 0.527 544 R N 1.845 122.336 120.500 -0.016 0.000 2.117 544 R HA -0.141 4.199 4.340 -0.001 0.000 0.243 544 R C 2.100 178.389 176.300 -0.018 0.000 1.143 544 R CA 1.809 57.899 56.100 -0.017 0.000 0.968 544 R CB -0.988 29.305 30.300 -0.011 0.000 0.863 544 R HN 0.818 nan 8.270 nan 0.000 0.444 545 G N -0.228 108.563 108.800 -0.015 0.000 2.480 545 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.216 545 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.216 545 G C 1.447 176.334 174.900 -0.021 0.000 1.200 545 G CA 1.386 46.476 45.100 -0.016 0.000 0.782 545 G HN 0.548 nan 8.290 nan 0.000 0.554 546 T N -0.651 113.891 114.554 -0.020 0.000 2.962 546 T HA 0.330 4.680 4.350 -0.001 0.000 0.270 546 T C 2.404 177.086 174.700 -0.029 0.000 1.088 546 T CA 1.494 63.581 62.100 -0.022 0.000 1.127 546 T CB -0.054 68.804 68.868 -0.017 0.000 0.883 546 T HN 0.353 nan 8.240 nan 0.000 0.493 547 A N 1.994 124.795 122.820 -0.033 0.000 1.850 547 A HA 0.150 4.470 4.320 -0.001 0.000 0.212 547 A C 2.365 179.913 177.584 -0.059 0.000 1.208 547 A CA 0.849 52.859 52.037 -0.045 0.000 0.609 547 A CB -0.518 18.455 19.000 -0.045 0.000 0.860 547 A HN 0.250 nan 8.150 nan 0.000 0.448 548 K N 0.350 120.721 120.400 -0.049 0.000 2.211 548 K HA -0.084 4.235 4.320 -0.001 0.000 0.204 548 K C 2.051 178.605 176.600 -0.076 0.000 1.047 548 K CA 1.250 57.503 56.287 -0.057 0.000 0.935 548 K CB -0.495 31.991 32.500 -0.024 0.000 0.728 548 K HN 0.400 nan 8.250 nan 0.000 0.452 549 A N 0.726 123.511 122.820 -0.058 0.000 1.845 549 A HA -0.220 4.100 4.320 -0.001 0.000 0.215 549 A C 2.626 180.167 177.584 -0.072 0.000 1.195 549 A CA 1.852 53.856 52.037 -0.055 0.000 0.616 549 A CB -1.401 17.576 19.000 -0.038 0.000 0.832 549 A HN 0.565 nan 8.150 nan 0.000 0.443 550 C N -0.532 118.727 119.300 -0.069 0.000 2.403 550 C HA -0.089 4.371 4.460 -0.001 0.000 0.277 550 C C 2.659 177.581 174.990 -0.114 0.000 1.248 550 C CA 1.395 60.369 59.018 -0.073 0.000 1.762 550 C CB -1.565 26.141 27.740 -0.057 0.000 2.014 550 C HN 0.406 nan 8.230 nan 0.000 0.486 551 V N 1.405 121.220 119.914 -0.164 0.000 2.287 551 V HA -0.189 3.931 4.120 -0.001 0.000 0.248 551 V C 2.356 178.272 176.094 -0.296 0.000 1.053 551 V CA 2.573 64.698 62.300 -0.291 0.000 1.027 551 V CB -0.844 30.726 31.823 -0.421 0.000 0.646 551 V HN 0.485 nan 8.190 nan 0.000 0.447 552 D N 0.841 121.112 120.400 -0.214 0.000 2.133 552 D HA -0.151 4.488 4.640 -0.001 0.000 0.195 552 D C 2.223 178.454 176.300 -0.114 0.000 0.997 552 D CA 1.730 55.637 54.000 -0.154 0.000 0.840 552 D CB -0.781 39.964 40.800 -0.093 0.000 0.947 552 D HN 0.471 nan 8.370 nan 0.000 0.452 553 G N 0.450 109.193 108.800 -0.095 0.000 2.440 553 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.218 553 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.218 553 G C 1.479 176.340 174.900 -0.065 0.000 1.154 553 G CA 0.447 45.508 45.100 -0.066 0.000 0.767 553 G HN 0.216 nan 8.290 nan 0.000 0.552 554 L N 0.495 121.665 121.223 -0.088 0.000 2.376 554 L HA 0.062 4.402 4.340 -0.001 0.000 0.219 554 L C 2.736 179.566 176.870 -0.067 0.000 1.133 554 L CA 0.587 55.385 54.840 -0.071 0.000 0.816 554 L CB -0.038 41.972 42.059 -0.082 0.000 0.933 554 L HN 0.116 nan 8.230 nan 0.000 0.449 555 V N -1.378 118.482 119.914 -0.090 0.000 2.599 555 V HA -0.109 4.011 4.120 -0.001 0.000 0.245 555 V C 1.920 177.996 176.094 -0.030 0.000 1.046 555 V CA 1.094 63.359 62.300 -0.059 0.000 1.065 555 V CB -0.407 31.371 31.823 -0.076 0.000 0.703 555 V HN 0.329 nan 8.190 nan 0.000 0.464 556 D N 0.615 120.994 120.400 -0.035 0.000 2.144 556 D HA -0.137 4.502 4.640 -0.001 0.000 0.200 556 D C 1.968 178.259 176.300 -0.014 0.000 0.978 556 D CA 1.092 55.079 54.000 -0.021 0.000 0.833 556 D CB -0.114 40.671 40.800 -0.024 0.000 0.961 556 D HN 0.526 nan 8.370 nan 0.000 0.470 557 E N 0.584 120.774 120.200 -0.017 0.000 2.511 557 E HA -0.031 4.318 4.350 -0.001 0.000 0.196 557 E C -0.238 176.360 176.600 -0.004 0.000 1.066 557 E CA 0.010 56.404 56.400 -0.010 0.000 0.871 557 E CB 0.057 29.751 29.700 -0.010 0.000 0.863 557 E HN 0.303 nan 8.360 nan 0.000 0.520 558 E N -0.607 119.590 120.200 -0.004 0.000 2.513 558 E HA -0.268 4.081 4.350 -0.001 0.000 0.257 558 E C 0.749 177.354 176.600 0.009 0.000 1.098 558 E CA 0.062 56.465 56.400 0.004 0.000 0.752 558 E CB -0.675 29.029 29.700 0.007 0.000 1.324 558 E HN 0.088 nan 8.360 nan 0.000 0.403 559 R N -0.065 120.438 120.500 0.005 0.000 2.075 559 R HA 0.066 4.405 4.340 -0.001 0.000 0.220 559 R C 0.979 177.293 176.300 0.024 0.000 1.118 559 R CA 1.525 57.633 56.100 0.013 0.000 0.986 559 R CB 0.576 30.880 30.300 0.006 0.000 0.884 559 R HN 0.221 nan 8.270 nan 0.000 0.439 560 V N -2.396 117.529 119.914 0.019 0.000 2.864 560 V HA 0.679 4.798 4.120 -0.001 0.000 0.314 560 V C -0.721 175.412 176.094 0.066 0.000 1.073 560 V CA -1.177 61.152 62.300 0.049 0.000 0.956 560 V CB 2.096 33.945 31.823 0.044 0.000 1.023 560 V HN -0.185 nan 8.190 nan 0.000 0.435 561 V N 3.621 123.598 119.914 0.104 0.000 2.487 561 V HA 0.862 4.981 4.120 -0.001 0.000 0.298 561 V C 0.716 176.911 176.094 0.167 0.000 1.028 561 V CA 0.043 62.407 62.300 0.106 0.000 0.860 561 V CB 1.239 33.100 31.823 0.064 0.000 0.991 561 V HN 1.803 nan 8.190 nan 0.000 0.427 562 A N 5.654 128.594 122.820 0.201 0.000 2.565 562 A HA 0.520 4.840 4.320 -0.001 0.000 0.237 562 A C -0.181 177.413 177.584 0.017 0.000 1.053 562 A CA 0.777 52.924 52.037 0.182 0.000 0.755 562 A CB 0.454 19.561 19.000 0.178 0.000 0.980 562 A HN 1.654 nan 8.150 nan 0.000 0.506 563 V N 2.185 122.036 119.914 -0.105 0.000 3.049 563 V HA 0.795 4.915 4.120 -0.001 0.000 0.309 563 V C 0.242 176.249 176.094 -0.145 0.000 1.148 563 V CA 0.805 63.050 62.300 -0.092 0.000 0.990 563 V CB 1.735 33.521 31.823 -0.061 0.000 1.039 563 V HN 2.777 nan 8.190 nan 0.000 0.430 564 G N 3.085 111.828 108.800 -0.095 0.000 2.750 564 G HA2 0.361 4.320 3.960 -0.001 0.000 0.686 564 G HA3 0.361 4.320 3.960 -0.001 0.000 0.686 564 G C -0.020 174.823 174.900 -0.095 0.000 1.395 564 G CA -0.118 44.925 45.100 -0.095 0.000 0.918 564 G HN 1.935 nan 8.290 nan 0.000 0.594 565 G N -0.087 108.672 108.800 -0.069 0.000 2.448 565 G HA2 1.013 4.973 3.960 -0.001 0.000 0.324 565 G HA3 1.013 4.973 3.960 -0.001 0.000 0.324 565 G C 0.836 175.704 174.900 -0.054 0.000 1.203 565 G CA 1.173 46.239 45.100 -0.057 0.000 0.954 565 G HN 2.664 nan 8.290 nan 0.000 0.480 566 G N 1.277 110.048 108.800 -0.048 0.000 2.488 566 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.237 566 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.237 566 G C 1.074 175.944 174.900 -0.050 0.000 1.209 566 G CA 0.316 45.391 45.100 -0.041 0.000 0.929 566 G HN 0.827 nan 8.290 nan 0.000 0.578 567 R N 0.813 121.287 120.500 -0.044 0.000 2.193 567 R HA 0.113 4.452 4.340 -0.001 0.000 0.229 567 R C 2.070 178.332 176.300 -0.063 0.000 1.110 567 R CA 1.500 57.572 56.100 -0.046 0.000 0.988 567 R CB -0.236 30.042 30.300 -0.037 0.000 0.871 567 R HN 0.722 nan 8.270 nan 0.000 0.458 568 S N 0.902 116.559 115.700 -0.071 0.000 3.266 568 S HA 0.231 4.701 4.470 -0.001 0.000 0.209 568 S C 0.006 174.528 174.600 -0.130 0.000 1.409 568 S CA -0.814 57.333 58.200 -0.088 0.000 1.179 568 S CB 0.332 63.490 63.200 -0.070 0.000 1.218 568 S HN 0.001 nan 8.310 nan 0.000 0.514 569 R N 2.520 122.918 120.500 -0.169 0.000 2.408 569 R HA 0.352 4.691 4.340 -0.001 0.000 0.308 569 R C 0.076 176.082 176.300 -0.489 0.000 1.210 569 R CA -0.337 55.591 56.100 -0.288 0.000 1.115 569 R CB -0.127 30.028 30.300 -0.242 0.000 1.127 569 R HN 0.335 nan 8.270 nan 0.000 0.523 570 R N 2.532 122.765 120.500 -0.444 0.000 2.541 570 R HA 0.339 4.678 4.340 -0.001 0.000 0.254 570 R C -0.679 175.213 176.300 -0.679 0.000 1.130 570 R CA -0.566 55.276 56.100 -0.429 0.000 1.152 570 R CB 0.665 30.863 30.300 -0.170 0.000 1.222 570 R HN 0.448 nan 8.270 nan 0.000 0.579 571 Y N 0.106 120.392 120.300 -0.025 0.000 2.332 571 Y HA 0.313 4.862 4.550 -0.001 0.000 0.325 571 Y C 0.020 175.927 175.900 0.013 0.000 1.054 571 Y CA -0.913 57.179 58.100 -0.014 0.000 1.119 571 Y CB 1.355 39.796 38.460 -0.032 0.000 1.168 571 Y HN 0.408 nan 8.280 nan 0.000 0.439 572 R N 2.813 123.402 120.500 0.149 0.000 2.532 572 R HA 0.822 5.162 4.340 -0.001 0.000 0.295 572 R C -1.107 175.254 176.300 0.100 0.000 0.968 572 R CA -1.013 55.154 56.100 0.110 0.000 0.916 572 R CB 1.221 31.562 30.300 0.069 0.000 1.124 572 R HN 0.453 nan 8.270 nan 0.000 0.463 573 L N 0.788 122.064 121.223 0.089 0.000 2.468 573 L HA 0.524 4.864 4.340 -0.001 0.000 0.254 573 L C 0.195 177.096 176.870 0.052 0.000 1.171 573 L CA -1.062 53.819 54.840 0.068 0.000 0.809 573 L CB 0.144 42.243 42.059 0.067 0.000 1.155 573 L HN 0.523 nan 8.230 nan 0.000 0.473 574 V N -2.210 117.729 119.914 0.041 0.000 2.427 574 V HA 0.510 4.630 4.120 -0.001 0.000 0.286 574 V C 0.446 176.557 176.094 0.029 0.000 1.034 574 V CA -0.811 61.509 62.300 0.032 0.000 0.893 574 V CB 0.775 32.614 31.823 0.027 0.000 0.982 574 V HN 1.000 nan 8.190 nan 0.000 0.452 575 E N 0.000 120.215 120.200 0.026 0.000 2.725 575 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 575 E CA 0.000 56.414 56.400 0.023 0.000 0.976 575 E CB 0.000 29.711 29.700 0.019 0.000 0.812 575 E HN 0.000 nan 8.360 nan 0.000 0.440