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 2v7q_1_C DATA FIRST_RESID 23 DATA SEQUENCE VDLEETGRVL SIGDGIARVH GLRNVQAEEM VEFSSGLKGM SLNLEPDNVG DATA SEQUENCE VVVFGNDKLI KEGDIVKRTG AIVDVPVGEE LLGRVVDALG NAIDGKGPIG DATA SEQUENCE SKARRRVGLK APGIIPRISV REPMQTGIKA VDSLVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTSIAIDT IINQKRFNDG TDEKKKLYCI YVAIGQKRST VAQLVKRLTD DATA SEQUENCE ADAMKYTIVV SATASDAAPL QYLAPYSGCS MGEYFRDNGK HALIIYDDLS DATA SEQUENCE KQAVAYRQMS LLLRRPPGRE AYPGDVFYLH SRLLERAAKM NDAFGGGSLT DATA SEQUENCE ALPVIETQAG DVSAYIPTNV ISITDGQIFL ETELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQTRA MKQVAGTMKL ELAQYREVAA FAXXXXXLDA ATQQLLSRGV DATA SEQUENCE RLTELLKQGQ YSPMAIEEQV AVIYAGVRGY LDKLEPSKIT KFENAFLSHV DATA SEQUENCE ISQHQALLSK IXXXXXXXXX XDAKLKEIVT NFLAGFEA 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 23 V HA 0.000 nan 4.120 nan 0.000 0.244 23 V C 0.000 176.104 176.094 0.016 0.000 1.182 23 V CA 0.000 62.312 62.300 0.019 0.000 1.235 23 V CB 0.000 31.842 31.823 0.031 0.000 1.184 24 D N 4.203 124.607 120.400 0.008 0.000 2.344 24 D HA 0.260 4.900 4.640 0.000 0.000 0.253 24 D C 0.856 177.153 176.300 -0.003 0.000 1.255 24 D CA 0.127 54.128 54.000 0.001 0.000 0.894 24 D CB 1.223 42.020 40.800 -0.003 0.000 1.067 24 D HN 0.506 nan 8.370 nan 0.000 0.492 25 L N 3.059 124.280 121.223 -0.004 0.000 2.478 25 L HA 0.019 4.359 4.340 0.000 0.000 0.223 25 L C 2.000 178.845 176.870 -0.041 0.000 1.140 25 L CA 0.394 55.221 54.840 -0.020 0.000 0.842 25 L CB 0.004 42.051 42.059 -0.020 0.000 0.953 25 L HN 0.454 nan 8.230 nan 0.000 0.452 26 E N -0.027 120.155 120.200 -0.030 0.000 2.072 26 E HA -0.146 4.204 4.350 0.000 0.000 0.190 26 E C 1.512 178.092 176.600 -0.033 0.000 0.982 26 E CA 0.802 57.183 56.400 -0.032 0.000 0.803 26 E CB 0.220 29.907 29.700 -0.022 0.000 0.755 26 E HN 0.383 nan 8.360 nan 0.000 0.453 27 E N 0.009 120.193 120.200 -0.028 0.000 2.447 27 E HA 0.040 4.390 4.350 0.000 0.000 0.204 27 E C 0.743 177.321 176.600 -0.036 0.000 0.977 27 E CA 0.398 56.781 56.400 -0.029 0.000 0.950 27 E CB 1.197 30.885 29.700 -0.021 0.000 0.975 27 E HN 0.168 nan 8.360 nan 0.000 0.496 28 T N -1.892 112.641 114.554 -0.034 0.000 2.864 28 T HA 0.730 5.080 4.350 0.000 0.000 0.299 28 T C -0.136 174.546 174.700 -0.030 0.000 1.166 28 T CA -0.393 61.684 62.100 -0.037 0.000 1.007 28 T CB 2.411 71.265 68.868 -0.024 0.000 1.219 28 T HN 0.003 nan 8.240 nan 0.000 0.506 29 G N 0.718 109.500 108.800 -0.030 0.000 2.708 29 G HA2 0.710 4.670 3.960 0.000 0.000 0.289 29 G HA3 0.710 4.670 3.960 0.000 0.000 0.289 29 G C -1.683 173.233 174.900 0.026 0.000 1.416 29 G CA -1.061 44.042 45.100 0.005 0.000 0.829 29 G HN 0.828 nan 8.290 nan 0.000 0.480 30 R N -0.437 120.110 120.500 0.078 0.000 2.686 30 R HA 0.517 4.857 4.340 0.000 0.000 0.286 30 R C -0.750 175.601 176.300 0.085 0.000 0.969 30 R CA -0.807 55.335 56.100 0.069 0.000 0.898 30 R CB 2.679 33.012 30.300 0.056 0.000 1.183 30 R HN 0.325 nan 8.270 nan 0.000 0.456 31 V N 4.872 124.842 119.914 0.093 0.000 2.493 31 V HA -0.053 4.067 4.120 0.000 0.000 0.292 31 V C 1.567 177.702 176.094 0.068 0.000 1.016 31 V CA 0.550 62.914 62.300 0.107 0.000 1.097 31 V CB 0.365 32.274 31.823 0.143 0.000 0.947 31 V HN 0.732 nan 8.190 nan 0.000 0.479 32 L N 3.869 125.131 121.223 0.065 0.000 2.127 32 L HA 0.102 4.442 4.340 0.000 0.000 0.203 32 L C 0.974 177.861 176.870 0.028 0.000 1.080 32 L CA 1.054 55.916 54.840 0.038 0.000 0.768 32 L CB 0.065 42.152 42.059 0.047 0.000 0.924 32 L HN 0.865 nan 8.230 nan 0.000 0.444 33 S N -1.201 114.520 115.700 0.035 0.000 2.547 33 S HA 0.631 5.101 4.470 0.000 0.000 0.270 33 S C -1.089 173.525 174.600 0.024 0.000 1.150 33 S CA -0.792 57.421 58.200 0.022 0.000 0.850 33 S CB 2.624 65.831 63.200 0.013 0.000 1.118 33 S HN 0.006 nan 8.310 nan 0.000 0.461 34 I N 0.442 121.016 120.570 0.007 0.000 2.610 34 I HA 0.844 5.014 4.170 0.000 0.000 0.289 34 I C -0.528 175.576 176.117 -0.022 0.000 1.163 34 I CA 0.255 61.549 61.300 -0.010 0.000 1.044 34 I CB 1.580 39.565 38.000 -0.024 0.000 1.251 34 I HN 1.290 nan 8.210 nan 0.000 0.424 35 G N 4.768 113.551 108.800 -0.028 0.000 2.752 35 G HA2 0.376 4.336 3.960 0.000 0.000 0.298 35 G HA3 0.376 4.336 3.960 0.000 0.000 0.298 35 G C -1.255 173.624 174.900 -0.034 0.000 1.434 35 G CA -0.620 44.463 45.100 -0.028 0.000 1.004 35 G HN 0.677 nan 8.290 nan 0.000 0.560 36 D N 0.493 120.872 120.400 -0.034 0.000 2.704 36 D HA -0.201 4.440 4.640 0.000 0.000 0.232 36 D C 1.592 177.868 176.300 -0.040 0.000 1.183 36 D CA 2.601 56.581 54.000 -0.033 0.000 0.647 36 D CB -0.869 39.914 40.800 -0.028 0.000 1.013 36 D HN 2.122 nan 8.370 nan 0.000 0.415 37 G N -0.756 108.012 108.800 -0.053 0.000 2.179 37 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 37 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 37 G C 0.199 175.058 174.900 -0.069 0.000 0.977 37 G CA 0.277 45.339 45.100 -0.064 0.000 0.641 37 G HN 0.470 nan 8.290 nan 0.000 0.533 38 I N 0.941 121.480 120.570 -0.052 0.000 2.410 38 I HA 0.697 4.867 4.170 0.000 0.000 0.286 38 I C 0.401 176.515 176.117 -0.006 0.000 1.009 38 I CA -1.304 59.977 61.300 -0.031 0.000 1.111 38 I CB 1.108 39.090 38.000 -0.030 0.000 1.262 38 I HN 0.341 nan 8.210 nan 0.000 0.443 39 A N 7.584 130.429 122.820 0.042 0.000 2.276 39 A HA 0.706 5.026 4.320 0.000 0.000 0.316 39 A C 0.045 177.678 177.584 0.083 0.000 1.229 39 A CA -0.706 51.389 52.037 0.096 0.000 0.851 39 A CB 0.769 19.923 19.000 0.258 0.000 1.165 39 A HN 0.562 nan 8.150 nan 0.000 0.513 40 R N 1.678 122.214 120.500 0.062 0.000 2.254 40 R HA 0.468 4.809 4.340 0.000 0.000 0.318 40 R C -1.056 175.287 176.300 0.071 0.000 1.031 40 R CA -0.287 55.844 56.100 0.051 0.000 0.905 40 R CB 1.183 31.505 30.300 0.037 0.000 1.050 40 R HN 0.432 nan 8.270 nan 0.000 0.456 41 V N 3.375 123.324 119.914 0.059 0.000 2.487 41 V HA 0.165 4.285 4.120 0.000 0.000 0.298 41 V C -0.048 176.088 176.094 0.070 0.000 1.028 41 V CA -0.972 61.365 62.300 0.062 0.000 0.860 41 V CB 1.545 33.376 31.823 0.012 0.000 0.991 41 V HN 0.740 nan 8.190 nan 0.000 0.427 42 H N 3.054 122.122 119.070 -0.003 0.000 2.551 42 H HA 0.648 5.204 4.556 0.000 0.000 0.358 42 H C 0.724 176.043 175.328 -0.015 0.000 1.151 42 H CA 1.626 57.670 56.048 -0.007 0.000 1.374 42 H CB 1.258 31.018 29.762 -0.002 0.000 1.473 42 H HN 1.090 nan 8.280 nan 0.000 0.574 43 G N 2.192 110.703 108.800 -0.481 0.000 2.498 43 G HA2 -0.270 3.690 3.960 0.000 0.000 0.251 43 G HA3 -0.270 3.690 3.960 0.000 0.000 0.251 43 G C 0.105 174.916 174.900 -0.148 0.000 1.170 43 G CA -0.252 44.689 45.100 -0.265 0.000 0.944 43 G HN 1.222 nan 8.290 nan 0.000 0.567 44 L N -0.244 120.924 121.223 -0.092 0.000 3.851 44 L HA -0.250 4.090 4.340 0.000 0.000 0.438 44 L C 2.376 179.203 176.870 -0.072 0.000 1.171 44 L CA 0.914 55.709 54.840 -0.075 0.000 0.895 44 L CB -0.841 41.173 42.059 -0.076 0.000 1.800 44 L HN 0.615 nan 8.230 nan 0.000 0.960 45 R N 0.375 120.829 120.500 -0.078 0.000 2.117 45 R HA -0.124 4.216 4.340 0.000 0.000 0.243 45 R C 1.418 177.691 176.300 -0.045 0.000 1.143 45 R CA 1.688 57.748 56.100 -0.066 0.000 0.968 45 R CB -0.374 29.886 30.300 -0.065 0.000 0.863 45 R HN 0.578 nan 8.270 nan 0.000 0.444 46 N N 0.150 118.827 118.700 -0.039 0.000 2.383 46 N HA -0.016 4.724 4.740 0.000 0.000 0.192 46 N C -0.032 175.462 175.510 -0.026 0.000 1.141 46 N CA 0.005 53.038 53.050 -0.028 0.000 0.851 46 N CB 0.282 38.755 38.487 -0.023 0.000 0.976 46 N HN -0.074 nan 8.380 nan 0.000 0.465 47 V N 1.414 121.308 119.914 -0.032 0.000 2.637 47 V HA 0.009 4.129 4.120 0.000 0.000 0.296 47 V C 0.159 176.242 176.094 -0.018 0.000 1.046 47 V CA -0.162 62.122 62.300 -0.028 0.000 1.066 47 V CB 0.819 32.619 31.823 -0.039 0.000 0.968 47 V HN 0.242 nan 8.190 nan 0.000 0.483 48 Q N 4.121 123.915 119.800 -0.010 0.000 2.260 48 Q HA 0.616 4.956 4.340 0.000 0.000 0.242 48 Q C 0.141 176.143 176.000 0.003 0.000 0.932 48 Q CA -0.275 55.528 55.803 -0.002 0.000 0.891 48 Q CB 1.221 29.962 28.738 0.004 0.000 1.222 48 Q HN 0.961 nan 8.270 nan 0.000 0.453 49 A N 2.173 124.997 122.820 0.008 0.000 2.548 49 A HA 0.012 4.332 4.320 0.000 0.000 0.247 49 A C 0.106 177.705 177.584 0.025 0.000 1.067 49 A CA 0.343 52.389 52.037 0.015 0.000 0.757 49 A CB -0.301 18.710 19.000 0.019 0.000 0.996 49 A HN 0.963 nan 8.150 nan 0.000 0.504 50 E N -0.475 119.745 120.200 0.034 0.000 3.763 50 E HA -0.194 4.156 4.350 0.000 0.000 0.319 50 E C 0.132 176.769 176.600 0.061 0.000 0.804 50 E CA 1.138 57.571 56.400 0.055 0.000 1.196 50 E CB -1.486 28.244 29.700 0.051 0.000 1.607 50 E HN 0.935 nan 8.360 nan 0.000 0.431 51 E N 0.642 120.867 120.200 0.042 0.000 2.366 51 E HA 0.293 4.643 4.350 0.000 0.000 0.266 51 E C -0.106 176.533 176.600 0.064 0.000 1.051 51 E CA -0.371 56.054 56.400 0.041 0.000 0.884 51 E CB 0.686 30.395 29.700 0.015 0.000 1.006 51 E HN 0.078 nan 8.360 nan 0.000 0.417 52 M N 5.157 124.806 119.600 0.083 0.000 2.200 52 M HA 0.176 4.656 4.480 0.000 0.000 0.355 52 M C -0.990 175.339 176.300 0.048 0.000 1.283 52 M CA -0.267 55.103 55.300 0.116 0.000 1.124 52 M CB 0.817 33.493 32.600 0.127 0.000 1.625 52 M HN 0.344 nan 8.290 nan 0.000 0.463 53 V N 1.603 121.530 119.914 0.022 0.000 3.166 53 V HA 0.750 4.870 4.120 0.000 0.000 0.317 53 V C -0.874 175.183 176.094 -0.061 0.000 1.136 53 V CA -0.812 61.443 62.300 -0.074 0.000 1.035 53 V CB 2.067 33.772 31.823 -0.197 0.000 1.110 53 V HN 0.842 nan 8.190 nan 0.000 0.450 54 E N 0.577 120.697 120.200 -0.133 0.000 2.246 54 E HA 0.531 4.882 4.350 0.000 0.000 0.266 54 E C -1.828 174.695 176.600 -0.128 0.000 0.880 54 E CA -0.377 56.002 56.400 -0.035 0.000 0.762 54 E CB 2.394 32.103 29.700 0.015 0.000 1.180 54 E HN 0.616 nan 8.360 nan 0.000 0.416 55 F N 1.046 121.015 119.950 0.033 0.000 2.371 55 F HA 0.044 4.571 4.527 0.000 0.000 0.329 55 F C 1.993 177.807 175.800 0.023 0.000 1.107 55 F CA -0.129 57.885 58.000 0.024 0.000 1.137 55 F CB 1.321 40.334 39.000 0.022 0.000 1.214 55 F HN 0.499 nan 8.300 nan 0.000 0.536 56 S N -0.612 115.202 115.700 0.191 0.000 2.419 56 S HA -0.213 4.257 4.470 0.000 0.000 0.235 56 S C 1.752 176.418 174.600 0.109 0.000 1.019 56 S CA 1.266 59.533 58.200 0.113 0.000 0.982 56 S CB -0.912 62.340 63.200 0.086 0.000 0.789 56 S HN 0.676 nan 8.310 nan 0.000 0.490 57 S N 0.323 116.104 115.700 0.136 0.000 2.561 57 S HA 0.439 4.909 4.470 0.000 0.000 0.225 57 S C 1.652 176.302 174.600 0.084 0.000 0.977 57 S CA 0.494 58.746 58.200 0.086 0.000 0.926 57 S CB -0.453 62.779 63.200 0.054 0.000 0.769 57 S HN 1.364 nan 8.310 nan 0.000 0.533 58 G N 0.126 108.996 108.800 0.116 0.000 2.238 58 G HA2 -0.175 3.785 3.960 0.000 0.000 0.217 58 G HA3 -0.175 3.785 3.960 0.000 0.000 0.217 58 G C -0.130 174.850 174.900 0.133 0.000 0.996 58 G CA -0.116 45.045 45.100 0.102 0.000 0.632 58 G HN 0.371 nan 8.290 nan 0.000 0.503 59 L N 1.452 122.775 121.223 0.167 0.000 2.467 59 L HA 0.502 4.842 4.340 0.000 0.000 0.270 59 L C 0.947 178.022 176.870 0.342 0.000 1.205 59 L CA 0.348 55.305 54.840 0.195 0.000 0.828 59 L CB 0.651 42.745 42.059 0.058 0.000 1.101 59 L HN 0.270 nan 8.230 nan 0.000 0.479 60 K N 0.564 121.161 120.400 0.328 0.000 2.139 60 K HA 0.795 5.115 4.320 0.000 0.000 0.243 60 K C -0.102 176.774 176.600 0.459 0.000 0.983 60 K CA -0.691 55.826 56.287 0.383 0.000 0.890 60 K CB 1.766 34.469 32.500 0.338 0.000 1.090 60 K HN 0.779 nan 8.250 nan 0.000 0.445 61 G N 0.425 109.435 108.800 0.350 0.000 2.682 61 G HA2 0.584 4.544 3.960 0.000 0.000 0.290 61 G HA3 0.584 4.544 3.960 0.000 0.000 0.290 61 G C -1.832 173.065 174.900 -0.005 0.000 1.425 61 G CA -0.734 44.425 45.100 0.097 0.000 0.807 61 G HN 0.479 nan 8.290 nan 0.000 0.482 62 M N 1.404 120.882 119.600 -0.203 0.000 2.259 62 M HA 0.450 4.930 4.480 0.000 0.000 0.304 62 M C -0.335 175.937 176.300 -0.047 0.000 1.019 62 M CA -0.705 54.567 55.300 -0.047 0.000 0.922 62 M CB 1.896 34.483 32.600 -0.021 0.000 1.600 62 M HN 0.493 nan 8.290 nan 0.000 0.433 63 S N 5.783 121.477 115.700 -0.011 0.000 2.423 63 S HA 0.265 4.735 4.470 0.000 0.000 0.302 63 S C 0.635 175.232 174.600 -0.005 0.000 1.143 63 S CA -0.648 57.542 58.200 -0.017 0.000 1.080 63 S CB 0.071 63.259 63.200 -0.020 0.000 1.081 63 S HN 0.830 nan 8.310 nan 0.000 0.522 64 L N 1.690 122.904 121.223 -0.015 0.000 2.316 64 L HA 0.235 4.575 4.340 0.000 0.000 0.207 64 L C 0.137 177.006 176.870 -0.002 0.000 1.070 64 L CA 0.401 55.238 54.840 -0.005 0.000 0.820 64 L CB -0.056 41.987 42.059 -0.026 0.000 0.992 64 L HN 0.447 nan 8.230 nan 0.000 0.466 65 N N 0.729 119.423 118.700 -0.010 0.000 2.511 65 N HA 0.373 5.113 4.740 0.000 0.000 0.249 65 N C -1.091 174.415 175.510 -0.008 0.000 0.971 65 N CA -0.072 52.973 53.050 -0.007 0.000 0.938 65 N CB 1.141 39.621 38.487 -0.012 0.000 1.131 65 N HN 0.005 nan 8.380 nan 0.000 0.505 66 L N 2.130 123.349 121.223 -0.006 0.000 2.257 66 L HA 0.424 4.764 4.340 0.000 0.000 0.290 66 L C 0.361 177.225 176.870 -0.010 0.000 1.044 66 L CA -0.282 54.551 54.840 -0.011 0.000 0.810 66 L CB 0.641 42.694 42.059 -0.010 0.000 1.193 66 L HN 0.367 nan 8.230 nan 0.000 0.425 67 E N 3.508 123.700 120.200 -0.013 0.000 2.320 67 E HA 0.332 4.682 4.350 0.000 0.000 0.264 67 E C -1.816 174.775 176.600 -0.014 0.000 0.923 67 E CA -1.788 54.606 56.400 -0.010 0.000 0.796 67 E CB 1.806 31.503 29.700 -0.005 0.000 1.262 67 E HN 0.283 nan 8.360 nan 0.000 0.428 68 P HA -0.195 nan 4.420 nan 0.000 0.216 68 P C 0.470 177.759 177.300 -0.018 0.000 1.153 68 P CA 1.454 64.546 63.100 -0.013 0.000 0.858 68 P CB 0.136 31.832 31.700 -0.006 0.000 0.789 69 D N -2.223 118.173 120.400 -0.006 0.000 2.431 69 D HA 0.067 4.707 4.640 0.000 0.000 0.213 69 D C -0.012 176.294 176.300 0.009 0.000 1.130 69 D CA -0.257 53.746 54.000 0.005 0.000 0.834 69 D CB -0.787 40.036 40.800 0.037 0.000 0.985 69 D HN 0.350 nan 8.370 nan 0.000 0.504 70 N N -1.580 117.115 118.700 -0.008 0.000 3.127 70 N HA 0.339 5.079 4.740 0.000 0.000 0.239 70 N C -2.010 173.493 175.510 -0.013 0.000 1.407 70 N CA -0.956 52.094 53.050 0.001 0.000 0.891 70 N CB 1.492 39.998 38.487 0.031 0.000 1.447 70 N HN -0.210 nan 8.380 nan 0.000 0.507 71 V N 0.209 120.116 119.914 -0.012 0.000 2.417 71 V HA 0.742 4.862 4.120 0.000 0.000 0.291 71 V C 0.764 176.856 176.094 -0.002 0.000 1.024 71 V CA -0.578 61.712 62.300 -0.015 0.000 0.861 71 V CB 1.234 33.039 31.823 -0.031 0.000 0.985 71 V HN 0.885 nan 8.190 nan 0.000 0.436 72 G N 4.015 112.812 108.800 -0.005 0.000 2.448 72 G HA2 0.467 4.428 3.960 0.000 0.000 0.309 72 G HA3 0.467 4.428 3.960 0.000 0.000 0.309 72 G C -0.486 174.410 174.900 -0.007 0.000 1.027 72 G CA -0.133 44.965 45.100 -0.003 0.000 1.104 72 G HN 0.524 nan 8.290 nan 0.000 0.428 73 V N 3.397 123.321 119.914 0.017 0.000 2.427 73 V HA 0.280 4.400 4.120 0.000 0.000 0.286 73 V C 0.172 176.273 176.094 0.011 0.000 1.034 73 V CA -0.729 61.586 62.300 0.026 0.000 0.893 73 V CB 1.720 33.597 31.823 0.089 0.000 0.982 73 V HN 0.399 nan 8.190 nan 0.000 0.452 74 V N 6.011 125.878 119.914 -0.078 0.000 2.394 74 V HA 0.362 4.483 4.120 0.000 0.000 0.282 74 V C -0.114 175.820 176.094 -0.267 0.000 1.031 74 V CA -0.312 61.890 62.300 -0.162 0.000 0.881 74 V CB 2.045 33.749 31.823 -0.198 0.000 0.982 74 V HN 0.650 nan 8.190 nan 0.000 0.451 75 V N 6.885 126.684 119.914 -0.191 0.000 2.383 75 V HA 0.327 4.447 4.120 0.000 0.000 0.275 75 V C 0.138 176.151 176.094 -0.135 0.000 1.036 75 V CA -0.227 61.979 62.300 -0.157 0.000 0.889 75 V CB 1.087 32.793 31.823 -0.196 0.000 0.985 75 V HN 0.757 nan 8.190 nan 0.000 0.459 76 F N 4.770 124.773 119.950 0.088 0.000 2.666 76 F HA 0.542 5.069 4.527 0.000 0.000 0.362 76 F C 1.229 177.057 175.800 0.046 0.000 1.190 76 F CA 0.519 58.565 58.000 0.077 0.000 1.328 76 F CB 0.114 39.171 39.000 0.095 0.000 1.682 76 F HN 0.770 nan 8.300 nan 0.000 0.623 77 G N 0.490 109.384 108.800 0.156 0.000 2.368 77 G HA2 -0.105 3.855 3.960 0.000 0.000 0.269 77 G HA3 -0.105 3.855 3.960 0.000 0.000 0.269 77 G C -1.407 173.503 174.900 0.016 0.000 1.291 77 G CA -1.152 44.000 45.100 0.087 0.000 0.903 77 G HN 0.058 nan 8.290 nan 0.000 0.483 78 N N 2.182 120.881 118.700 -0.002 0.000 2.454 78 N HA 0.088 4.828 4.740 0.000 0.000 0.285 78 N C 1.496 176.958 175.510 -0.079 0.000 1.233 78 N CA 0.635 53.668 53.050 -0.028 0.000 1.036 78 N CB 0.116 38.592 38.487 -0.017 0.000 1.423 78 N HN 0.554 nan 8.380 nan 0.000 0.495 79 D N 1.981 122.321 120.400 -0.099 0.000 2.311 79 D HA -0.208 4.432 4.640 0.000 0.000 0.212 79 D C 0.504 176.722 176.300 -0.137 0.000 0.972 79 D CA 0.919 54.821 54.000 -0.164 0.000 0.887 79 D CB 0.148 40.865 40.800 -0.138 0.000 0.915 79 D HN 0.440 nan 8.370 nan 0.000 0.497 80 K N 0.031 120.381 120.400 -0.085 0.000 2.515 80 K HA 0.066 4.386 4.320 0.000 0.000 0.196 80 K C 1.876 178.439 176.600 -0.062 0.000 1.038 80 K CA 0.183 56.433 56.287 -0.063 0.000 0.967 80 K CB 0.067 32.543 32.500 -0.039 0.000 0.780 80 K HN 0.252 nan 8.250 nan 0.000 0.483 81 L N 0.621 121.796 121.223 -0.080 0.000 2.558 81 L HA 0.156 4.496 4.340 0.000 0.000 0.225 81 L C 0.533 177.356 176.870 -0.077 0.000 1.128 81 L CA -0.009 54.792 54.840 -0.065 0.000 0.868 81 L CB 0.067 42.093 42.059 -0.056 0.000 1.006 81 L HN 0.076 nan 8.230 nan 0.000 0.454 82 I N 0.183 120.678 120.570 -0.125 0.000 2.428 82 I HA 0.219 4.389 4.170 0.000 0.000 0.296 82 I C -0.158 175.928 176.117 -0.052 0.000 0.985 82 I CA -0.318 60.907 61.300 -0.124 0.000 1.260 82 I CB 1.303 39.126 38.000 -0.295 0.000 1.389 82 I HN -0.003 nan 8.210 nan 0.000 0.484 83 K N 4.114 124.512 120.400 -0.004 0.000 2.435 83 K HA 0.344 4.664 4.320 0.000 0.000 0.251 83 K C -0.778 175.841 176.600 0.031 0.000 0.954 83 K CA -0.968 55.324 56.287 0.008 0.000 0.820 83 K CB 2.111 34.617 32.500 0.010 0.000 1.292 83 K HN 0.495 nan 8.250 nan 0.000 0.436 84 E N 0.557 120.770 120.200 0.022 0.000 2.608 84 E HA -0.130 4.220 4.350 0.000 0.000 0.259 84 E C 0.586 177.204 176.600 0.030 0.000 0.951 84 E CA 1.726 58.142 56.400 0.027 0.000 0.945 84 E CB 0.122 29.829 29.700 0.012 0.000 0.916 84 E HN 0.804 nan 8.360 nan 0.000 0.477 85 G N 4.100 112.921 108.800 0.036 0.000 2.258 85 G HA2 -0.241 3.719 3.960 0.000 0.000 0.233 85 G HA3 -0.241 3.719 3.960 0.000 0.000 0.233 85 G C -0.083 174.846 174.900 0.048 0.000 1.006 85 G CA 0.140 45.258 45.100 0.031 0.000 0.620 85 G HN 0.659 nan 8.290 nan 0.000 0.511 86 D N 0.829 121.272 120.400 0.072 0.000 2.472 86 D HA 0.353 4.993 4.640 0.000 0.000 0.237 86 D C 1.161 177.517 176.300 0.094 0.000 1.141 86 D CA 0.200 54.258 54.000 0.097 0.000 0.875 86 D CB 0.546 41.435 40.800 0.149 0.000 1.192 86 D HN 0.419 nan 8.370 nan 0.000 0.450 87 I N 1.549 122.162 120.570 0.071 0.000 2.474 87 I HA 0.097 4.267 4.170 0.000 0.000 0.287 87 I C -0.072 176.042 176.117 -0.005 0.000 1.048 87 I CA -0.357 60.963 61.300 0.033 0.000 1.383 87 I CB 0.833 38.846 38.000 0.023 0.000 1.412 87 I HN -0.069 nan 8.210 nan 0.000 0.531 88 V N 6.654 126.517 119.914 -0.085 0.000 2.540 88 V HA 0.472 4.592 4.120 0.000 0.000 0.302 88 V C -0.227 175.765 176.094 -0.169 0.000 1.035 88 V CA -0.947 61.203 62.300 -0.250 0.000 0.873 88 V CB 1.777 33.352 31.823 -0.413 0.000 0.992 88 V HN 0.579 nan 8.190 nan 0.000 0.428 89 K N 3.295 123.595 120.400 -0.167 0.000 2.316 89 K HA 0.600 4.920 4.320 0.000 0.000 0.251 89 K C -0.480 176.063 176.600 -0.096 0.000 0.934 89 K CA -0.872 55.357 56.287 -0.097 0.000 0.802 89 K CB 2.728 35.194 32.500 -0.057 0.000 1.171 89 K HN 0.558 nan 8.250 nan 0.000 0.426 90 R N 0.455 120.915 120.500 -0.066 0.000 2.679 90 R HA 0.011 4.351 4.340 0.000 0.000 0.268 90 R C 1.274 177.556 176.300 -0.030 0.000 1.044 90 R CA 0.441 56.513 56.100 -0.048 0.000 1.105 90 R CB 0.322 30.601 30.300 -0.035 0.000 0.989 90 R HN 0.789 nan 8.270 nan 0.000 0.447 91 T N -1.964 112.581 114.554 -0.016 0.000 3.014 91 T HA 0.158 4.508 4.350 0.000 0.000 0.250 91 T C 1.355 176.055 174.700 -0.000 0.000 1.060 91 T CA 0.361 62.460 62.100 -0.002 0.000 1.040 91 T CB 0.530 69.406 68.868 0.012 0.000 0.971 91 T HN 0.814 nan 8.240 nan 0.000 0.497 92 G N 1.342 110.141 108.800 -0.002 0.000 2.179 92 G HA2 -0.018 3.942 3.960 0.000 0.000 0.260 92 G HA3 -0.018 3.942 3.960 0.000 0.000 0.260 92 G C 0.211 175.115 174.900 0.005 0.000 0.977 92 G CA -0.075 45.025 45.100 -0.001 0.000 0.641 92 G HN 1.339 nan 8.290 nan 0.000 0.533 93 A N 0.616 123.443 122.820 0.011 0.000 2.331 93 A HA 0.760 5.080 4.320 0.000 0.000 0.320 93 A C 0.294 177.894 177.584 0.026 0.000 1.138 93 A CA -0.725 51.322 52.037 0.016 0.000 0.790 93 A CB 0.963 19.972 19.000 0.014 0.000 1.206 93 A HN 0.499 nan 8.150 nan 0.000 0.470 94 I N 2.198 122.783 120.570 0.024 0.000 2.752 94 I HA 0.003 4.173 4.170 0.000 0.000 0.287 94 I C 0.764 176.904 176.117 0.038 0.000 1.188 94 I CA 0.064 61.383 61.300 0.032 0.000 1.427 94 I CB 0.592 38.605 38.000 0.022 0.000 1.365 94 I HN 0.373 nan 8.210 nan 0.000 0.585 95 V N 6.792 126.743 119.914 0.061 0.000 2.584 95 V HA -0.021 4.099 4.120 0.000 0.000 0.303 95 V C 0.217 176.323 176.094 0.020 0.000 1.035 95 V CA 0.272 62.609 62.300 0.062 0.000 1.172 95 V CB -0.057 31.837 31.823 0.120 0.000 0.896 95 V HN 0.934 nan 8.190 nan 0.000 0.486 96 D N 3.789 124.189 120.400 -0.000 0.000 2.610 96 D HA 0.699 5.339 4.640 0.000 0.000 0.271 96 D C -0.668 175.612 176.300 -0.033 0.000 1.174 96 D CA -0.600 53.392 54.000 -0.013 0.000 0.949 96 D CB 2.121 42.917 40.800 -0.007 0.000 1.430 96 D HN 0.513 nan 8.370 nan 0.000 0.467 97 V N -4.705 115.189 119.914 -0.034 0.000 3.078 97 V HA 0.781 4.901 4.120 0.000 0.000 0.311 97 V C -2.890 173.172 176.094 -0.053 0.000 1.138 97 V CA -2.277 59.995 62.300 -0.047 0.000 1.007 97 V CB 1.972 33.769 31.823 -0.045 0.000 1.045 97 V HN 0.601 nan 8.190 nan 0.000 0.432 98 P HA 0.386 nan 4.420 nan 0.000 0.271 98 P C -0.499 176.726 177.300 -0.125 0.000 1.218 98 P CA 0.118 63.164 63.100 -0.089 0.000 0.780 98 P CB 1.454 33.105 31.700 -0.082 0.000 0.901 99 V N -1.570 118.223 119.914 -0.201 0.000 3.160 99 V HA 1.017 5.137 4.120 0.000 0.000 0.310 99 V C -0.150 175.560 176.094 -0.641 0.000 1.181 99 V CA -0.353 61.736 62.300 -0.352 0.000 1.047 99 V CB 1.376 33.025 31.823 -0.291 0.000 1.068 99 V HN 1.012 nan 8.190 nan 0.000 0.441 100 G N 0.436 108.537 108.800 -1.165 0.000 2.357 100 G HA2 0.045 4.005 3.960 0.000 0.000 0.643 100 G HA3 0.045 4.005 3.960 0.000 0.000 0.643 100 G C -0.248 174.226 174.900 -0.710 0.000 1.358 100 G CA -0.023 44.236 45.100 -1.401 0.000 0.986 100 G HN 0.920 nan 8.290 nan 0.000 0.620 101 E N -0.315 119.662 120.200 -0.373 0.000 2.409 101 E HA -0.046 4.304 4.350 0.000 0.000 0.198 101 E C 1.811 178.405 176.600 -0.011 0.000 1.024 101 E CA 1.113 57.491 56.400 -0.037 0.000 0.861 101 E CB 0.124 29.861 29.700 0.062 0.000 0.788 101 E HN 0.552 nan 8.360 nan 0.000 0.521 102 E N 0.120 120.271 120.200 -0.082 0.000 2.338 102 E HA -0.116 4.234 4.350 0.000 0.000 0.197 102 E C 1.536 178.121 176.600 -0.024 0.000 1.007 102 E CA 0.486 56.860 56.400 -0.043 0.000 0.849 102 E CB 0.027 29.688 29.700 -0.064 0.000 0.774 102 E HN 0.226 nan 8.360 nan 0.000 0.506 103 L N 0.098 121.303 121.223 -0.029 0.000 2.418 103 L HA 0.053 4.393 4.340 0.000 0.000 0.218 103 L C 0.465 177.369 176.870 0.055 0.000 1.125 103 L CA -0.011 54.832 54.840 0.004 0.000 0.835 103 L CB -0.116 41.939 42.059 -0.006 0.000 0.953 103 L HN 0.085 nan 8.230 nan 0.000 0.454 104 L N 0.661 121.942 121.223 0.097 0.000 2.499 104 L HA 0.100 4.440 4.340 0.000 0.000 0.273 104 L C 1.376 178.287 176.870 0.068 0.000 1.195 104 L CA 0.710 55.626 54.840 0.125 0.000 0.882 104 L CB 0.035 42.209 42.059 0.192 0.000 1.133 104 L HN 0.366 nan 8.230 nan 0.000 0.483 105 G N 1.986 110.808 108.800 0.038 0.000 2.143 105 G HA2 -0.211 3.749 3.960 0.000 0.000 0.249 105 G HA3 -0.211 3.749 3.960 0.000 0.000 0.249 105 G C 0.167 175.064 174.900 -0.004 0.000 0.981 105 G CA -0.372 44.727 45.100 -0.002 0.000 0.665 105 G HN 0.471 nan 8.290 nan 0.000 0.528 106 R N -0.545 119.960 120.500 0.009 0.000 2.778 106 R HA 0.706 5.046 4.340 0.000 0.000 0.277 106 R C -0.328 175.978 176.300 0.009 0.000 0.977 106 R CA -0.816 55.288 56.100 0.005 0.000 0.950 106 R CB 1.897 32.200 30.300 0.006 0.000 1.165 106 R HN 0.205 nan 8.270 nan 0.000 0.474 107 V N 2.590 122.507 119.914 0.005 0.000 2.398 107 V HA 0.494 4.614 4.120 0.000 0.000 0.286 107 V C 0.243 176.345 176.094 0.012 0.000 1.026 107 V CA -0.741 61.567 62.300 0.014 0.000 0.868 107 V CB 1.510 33.339 31.823 0.010 0.000 0.982 107 V HN 0.611 nan 8.190 nan 0.000 0.443 108 V N 1.142 121.066 119.914 0.017 0.000 3.102 108 V HA 0.822 4.942 4.120 0.000 0.000 0.312 108 V C -0.563 175.537 176.094 0.010 0.000 1.135 108 V CA -0.911 61.394 62.300 0.008 0.000 1.022 108 V CB 2.162 33.984 31.823 -0.001 0.000 1.056 108 V HN 0.799 nan 8.190 nan 0.000 0.436 109 D N 1.846 122.247 120.400 0.001 0.000 2.478 109 D HA 0.507 5.147 4.640 0.000 0.000 0.269 109 D C 1.141 177.430 176.300 -0.017 0.000 1.232 109 D CA -0.003 53.997 54.000 0.000 0.000 1.059 109 D CB 1.160 41.961 40.800 0.001 0.000 1.104 109 D HN 0.882 nan 8.370 nan 0.000 0.566 110 A N -0.662 122.144 122.820 -0.024 0.000 2.172 110 A HA 0.001 4.321 4.320 0.000 0.000 0.216 110 A C 1.939 179.460 177.584 -0.104 0.000 1.154 110 A CA 0.705 52.714 52.037 -0.046 0.000 0.701 110 A CB -0.737 18.247 19.000 -0.026 0.000 0.789 110 A HN 0.523 nan 8.150 nan 0.000 0.465 111 L N -1.711 119.440 121.223 -0.121 0.000 2.728 111 L HA 0.291 4.631 4.340 0.000 0.000 0.238 111 L C 1.507 178.325 176.870 -0.087 0.000 1.143 111 L CA 0.450 55.198 54.840 -0.153 0.000 0.937 111 L CB 0.181 42.122 42.059 -0.197 0.000 1.225 111 L HN 0.503 nan 8.230 nan 0.000 0.507 112 G N -0.106 108.659 108.800 -0.058 0.000 2.159 112 G HA2 -0.256 3.704 3.960 0.000 0.000 0.256 112 G HA3 -0.256 3.704 3.960 0.000 0.000 0.256 112 G C 0.128 175.009 174.900 -0.032 0.000 0.977 112 G CA -0.252 44.823 45.100 -0.042 0.000 0.652 112 G HN 0.392 nan 8.290 nan 0.000 0.531 113 N N 1.063 119.746 118.700 -0.028 0.000 2.530 113 N HA 0.491 5.231 4.740 0.000 0.000 0.273 113 N C 0.646 176.150 175.510 -0.010 0.000 1.173 113 N CA 0.611 53.651 53.050 -0.017 0.000 0.967 113 N CB 1.221 39.702 38.487 -0.011 0.000 1.109 113 N HN 0.692 nan 8.380 nan 0.000 0.453 114 A N 1.932 124.747 122.820 -0.008 0.000 2.488 114 A HA 0.217 4.537 4.320 0.000 0.000 0.249 114 A C 1.272 178.857 177.584 0.000 0.000 1.083 114 A CA -0.156 51.878 52.037 -0.004 0.000 0.768 114 A CB -0.460 18.537 19.000 -0.005 0.000 1.017 114 A HN 0.829 nan 8.150 nan 0.000 0.496 115 I N -0.748 119.824 120.570 0.003 0.000 4.225 115 I HA 0.253 4.423 4.170 0.000 0.000 0.327 115 I C 0.261 176.380 176.117 0.004 0.000 1.422 115 I CA -0.010 61.294 61.300 0.006 0.000 1.150 115 I CB 0.516 38.522 38.000 0.011 0.000 1.192 115 I HN 0.459 nan 8.210 nan 0.000 0.440 116 D N 1.151 121.551 120.400 0.001 0.000 2.339 116 D HA 0.165 4.805 4.640 0.000 0.000 0.217 116 D C 1.671 177.969 176.300 -0.004 0.000 1.050 116 D CA 0.547 54.545 54.000 -0.003 0.000 0.856 116 D CB 0.179 40.975 40.800 -0.006 0.000 0.922 116 D HN 0.444 nan 8.370 nan 0.000 0.518 117 G N 0.908 109.706 108.800 -0.002 0.000 2.168 117 G HA2 -0.388 3.572 3.960 0.000 0.000 0.263 117 G HA3 -0.388 3.572 3.960 0.000 0.000 0.263 117 G C 0.811 175.709 174.900 -0.004 0.000 0.977 117 G CA 0.501 45.600 45.100 -0.002 0.000 0.659 117 G HN 0.474 nan 8.290 nan 0.000 0.533 118 K N 0.467 120.864 120.400 -0.004 0.000 2.469 118 K HA 0.470 4.790 4.320 0.000 0.000 0.201 118 K C 1.367 177.964 176.600 -0.004 0.000 1.028 118 K CA 0.411 56.695 56.287 -0.005 0.000 1.170 118 K CB 0.272 32.768 32.500 -0.006 0.000 0.874 118 K HN 1.408 nan 8.250 nan 0.000 0.507 119 G N 2.185 110.983 108.800 -0.004 0.000 2.685 119 G HA2 -0.176 3.784 3.960 0.000 0.000 0.387 119 G HA3 -0.176 3.784 3.960 0.000 0.000 0.387 119 G C -2.856 172.041 174.900 -0.006 0.000 1.324 119 G CA -1.306 43.792 45.100 -0.004 0.000 0.878 119 G HN 0.005 nan 8.290 nan 0.000 0.527 120 P HA 0.486 nan 4.420 nan 0.000 0.274 120 P C 0.312 177.604 177.300 -0.014 0.000 1.231 120 P CA -0.620 62.474 63.100 -0.010 0.000 0.790 120 P CB 0.424 32.118 31.700 -0.009 0.000 0.951 121 I N 1.307 121.866 120.570 -0.019 0.000 2.471 121 I HA 0.143 4.313 4.170 0.000 0.000 0.286 121 I C 1.516 177.614 176.117 -0.032 0.000 1.079 121 I CA 0.210 61.494 61.300 -0.027 0.000 1.398 121 I CB 0.016 37.995 38.000 -0.036 0.000 1.403 121 I HN 0.513 nan 8.210 nan 0.000 0.530 122 G N 4.642 113.423 108.800 -0.033 0.000 3.562 122 G HA2 0.138 4.098 3.960 0.000 0.000 0.279 122 G HA3 0.138 4.098 3.960 0.000 0.000 0.279 122 G C 0.566 175.437 174.900 -0.048 0.000 1.314 122 G CA -0.265 44.815 45.100 -0.033 0.000 1.189 122 G HN 0.694 nan 8.290 nan 0.000 0.562 123 S N -0.515 115.146 115.700 -0.065 0.000 2.548 123 S HA 0.300 4.770 4.470 0.000 0.000 0.277 123 S C 0.742 175.297 174.600 -0.075 0.000 1.315 123 S CA -0.469 57.674 58.200 -0.095 0.000 1.050 123 S CB 1.837 64.960 63.200 -0.128 0.000 0.918 123 S HN 0.292 nan 8.310 nan 0.000 0.497 124 K N 1.366 121.720 120.400 -0.076 0.000 2.372 124 K HA 0.373 4.693 4.320 0.000 0.000 0.200 124 K C 0.190 176.760 176.600 -0.050 0.000 1.022 124 K CA 0.063 56.320 56.287 -0.050 0.000 1.125 124 K CB 0.650 33.130 32.500 -0.034 0.000 0.855 124 K HN 0.740 nan 8.250 nan 0.000 0.524 125 A N 1.408 124.181 122.820 -0.077 0.000 2.475 125 A HA 0.694 5.014 4.320 0.000 0.000 0.301 125 A C -0.956 176.580 177.584 -0.079 0.000 1.059 125 A CA -0.831 51.167 52.037 -0.065 0.000 0.710 125 A CB 1.365 20.331 19.000 -0.056 0.000 1.288 125 A HN 0.119 nan 8.150 nan 0.000 0.408 126 R N 0.101 120.573 120.500 -0.047 0.000 2.837 126 R HA 0.780 5.120 4.340 0.000 0.000 0.271 126 R C -0.837 175.451 176.300 -0.021 0.000 0.993 126 R CA -0.866 55.208 56.100 -0.043 0.000 0.931 126 R CB 2.678 32.959 30.300 -0.033 0.000 1.206 126 R HN 0.746 nan 8.270 nan 0.000 0.474 127 R N 0.797 121.286 120.500 -0.018 0.000 2.604 127 R HA 0.322 4.662 4.340 0.000 0.000 0.281 127 R C -0.801 175.499 176.300 0.000 0.000 1.020 127 R CA -0.799 55.302 56.100 0.001 0.000 0.899 127 R CB 1.856 32.164 30.300 0.013 0.000 1.205 127 R HN 0.506 nan 8.270 nan 0.000 0.450 128 R N 1.511 122.014 120.500 0.005 0.000 2.679 128 R HA -0.006 4.334 4.340 0.000 0.000 0.268 128 R C 1.409 177.710 176.300 0.002 0.000 1.044 128 R CA 0.191 56.293 56.100 0.003 0.000 1.105 128 R CB 0.690 30.992 30.300 0.004 0.000 0.989 128 R HN 0.528 nan 8.270 nan 0.000 0.447 129 V N 0.190 120.101 119.914 -0.006 0.000 2.871 129 V HA 0.092 4.212 4.120 0.000 0.000 0.256 129 V C 1.153 177.228 176.094 -0.031 0.000 1.082 129 V CA 1.644 63.945 62.300 0.001 0.000 1.105 129 V CB 0.005 31.829 31.823 0.002 0.000 0.713 129 V HN 0.842 nan 8.190 nan 0.000 0.473 130 G N 0.577 109.331 108.800 -0.077 0.000 3.959 130 G HA2 0.477 4.437 3.960 0.000 0.000 0.298 130 G HA3 0.477 4.437 3.960 0.000 0.000 0.298 130 G C 0.074 174.937 174.900 -0.063 0.000 1.211 130 G CA -0.437 44.580 45.100 -0.137 0.000 1.001 130 G HN 0.422 nan 8.290 nan 0.000 0.561 131 L N 0.899 122.110 121.223 -0.020 0.000 2.426 131 L HA 0.226 4.566 4.340 0.000 0.000 0.271 131 L C 0.745 177.619 176.870 0.007 0.000 1.169 131 L CA -0.532 54.309 54.840 0.002 0.000 0.836 131 L CB 0.861 42.930 42.059 0.016 0.000 1.112 131 L HN 0.010 nan 8.230 nan 0.000 0.465 132 K N 2.143 122.551 120.400 0.015 0.000 2.485 132 K HA 0.124 4.444 4.320 0.000 0.000 0.277 132 K C -0.001 176.609 176.600 0.017 0.000 0.990 132 K CA -0.140 56.160 56.287 0.021 0.000 0.994 132 K CB 0.778 33.294 32.500 0.025 0.000 0.906 132 K HN 0.694 nan 8.250 nan 0.000 0.488 133 A N 5.043 127.873 122.820 0.016 0.000 2.425 133 A HA 0.244 4.564 4.320 0.000 0.000 0.242 133 A C -2.001 175.576 177.584 -0.012 0.000 1.077 133 A CA -1.038 51.002 52.037 0.006 0.000 0.781 133 A CB -0.482 18.523 19.000 0.009 0.000 1.020 133 A HN 0.417 nan 8.150 nan 0.000 0.494 134 P HA 0.193 nan 4.420 nan 0.000 0.264 134 P C 0.716 177.968 177.300 -0.080 0.000 1.183 134 P CA 0.666 63.714 63.100 -0.086 0.000 0.763 134 P CB 0.470 32.096 31.700 -0.124 0.000 0.807 135 G N 1.632 110.374 108.800 -0.097 0.000 2.525 135 G HA2 0.095 4.055 3.960 0.000 0.000 0.276 135 G HA3 0.095 4.055 3.960 0.000 0.000 0.276 135 G C 1.112 175.961 174.900 -0.085 0.000 1.388 135 G CA -0.603 44.455 45.100 -0.069 0.000 1.050 135 G HN 0.430 nan 8.290 nan 0.000 0.520 136 I N -0.146 120.390 120.570 -0.056 0.000 2.179 136 I HA -0.154 4.016 4.170 0.000 0.000 0.242 136 I C 2.535 178.609 176.117 -0.071 0.000 1.088 136 I CA 0.749 62.020 61.300 -0.048 0.000 1.357 136 I CB -0.145 37.842 38.000 -0.023 0.000 1.051 136 I HN 0.285 nan 8.210 nan 0.000 0.409 137 I N 0.971 121.492 120.570 -0.081 0.000 2.202 137 I HA -0.140 4.030 4.170 0.000 0.000 0.242 137 I C -0.252 175.763 176.117 -0.170 0.000 1.091 137 I CA 1.708 62.962 61.300 -0.077 0.000 1.368 137 I CB -2.611 35.377 38.000 -0.021 0.000 1.058 137 I HN 0.155 nan 8.210 nan 0.000 0.410 138 P HA -0.066 nan 4.420 nan 0.000 0.231 138 P C 0.365 177.432 177.300 -0.389 0.000 1.158 138 P CA 0.986 63.583 63.100 -0.838 0.000 0.763 138 P CB 0.008 30.931 31.700 -1.294 0.000 0.805 139 R N -0.523 119.854 120.500 -0.204 0.000 2.596 139 R HA 0.699 5.039 4.340 0.000 0.000 0.267 139 R C -0.256 176.017 176.300 -0.045 0.000 1.026 139 R CA -0.843 55.195 56.100 -0.103 0.000 1.087 139 R CB 1.011 31.264 30.300 -0.078 0.000 1.132 139 R HN -0.046 nan 8.270 nan 0.000 0.531 140 I N -0.979 119.580 120.570 -0.019 0.000 2.913 140 I HA 0.129 4.299 4.170 0.000 0.000 0.302 140 I C -0.546 175.572 176.117 0.002 0.000 1.246 140 I CA -0.320 60.980 61.300 -0.000 0.000 1.010 140 I CB 2.403 40.412 38.000 0.015 0.000 1.259 140 I HN 0.526 nan 8.210 nan 0.000 0.434 141 S N 3.337 119.039 115.700 0.004 0.000 2.702 141 S HA 0.070 4.540 4.470 0.000 0.000 0.314 141 S C -0.083 174.519 174.600 0.004 0.000 1.244 141 S CA -0.293 57.910 58.200 0.004 0.000 1.058 141 S CB -0.093 63.109 63.200 0.004 0.000 0.783 141 S HN 0.391 nan 8.310 nan 0.000 0.503 142 V N 6.790 126.705 119.914 0.002 0.000 2.617 142 V HA 0.037 4.157 4.120 0.000 0.000 0.304 142 V C 1.299 177.388 176.094 -0.008 0.000 1.040 142 V CA 0.921 63.220 62.300 -0.001 0.000 1.149 142 V CB 0.547 32.367 31.823 -0.005 0.000 0.914 142 V HN 0.943 nan 8.190 nan 0.000 0.487 143 R N 1.608 122.100 120.500 -0.014 0.000 2.568 143 R HA 0.258 4.598 4.340 0.000 0.000 0.254 143 R C -0.079 176.194 176.300 -0.045 0.000 0.925 143 R CA -0.080 56.008 56.100 -0.021 0.000 1.025 143 R CB 0.846 31.141 30.300 -0.009 0.000 1.428 143 R HN 0.771 nan 8.270 nan 0.000 0.573 144 E N 1.283 121.442 120.200 -0.070 0.000 2.256 144 E HA 0.305 4.655 4.350 0.000 0.000 0.267 144 E C -2.690 173.832 176.600 -0.130 0.000 0.892 144 E CA -2.435 53.893 56.400 -0.120 0.000 0.775 144 E CB 2.055 31.643 29.700 -0.188 0.000 1.207 144 E HN -0.143 nan 8.360 nan 0.000 0.420 145 P HA 0.065 nan 4.420 nan 0.000 0.275 145 P C -0.809 176.375 177.300 -0.194 0.000 1.227 145 P CA -0.301 62.715 63.100 -0.141 0.000 0.781 145 P CB 0.612 32.236 31.700 -0.127 0.000 0.906 146 M N 3.746 123.263 119.600 -0.139 0.000 2.080 146 M HA 0.146 4.626 4.480 0.000 0.000 0.350 146 M C -0.373 175.875 176.300 -0.086 0.000 1.143 146 M CA -0.297 54.921 55.300 -0.137 0.000 1.064 146 M CB 0.248 32.795 32.600 -0.089 0.000 1.429 146 M HN 0.320 nan 8.290 nan 0.000 0.418 147 Q N 2.822 122.569 119.800 -0.089 0.000 2.294 147 Q HA 0.226 4.566 4.340 0.000 0.000 0.257 147 Q C 1.143 177.193 176.000 0.083 0.000 0.955 147 Q CA 0.014 55.832 55.803 0.025 0.000 0.936 147 Q CB 1.094 29.903 28.738 0.118 0.000 1.188 147 Q HN 0.760 nan 8.270 nan 0.000 0.420 148 T N -1.702 112.886 114.554 0.057 0.000 3.035 148 T HA 0.129 4.479 4.350 0.000 0.000 0.259 148 T C 1.253 175.986 174.700 0.056 0.000 1.078 148 T CA 0.600 62.731 62.100 0.051 0.000 1.132 148 T CB 0.089 68.975 68.868 0.029 0.000 0.900 148 T HN 0.856 nan 8.240 nan 0.000 0.480 149 G N 1.461 110.296 108.800 0.059 0.000 2.148 149 G HA2 -0.209 3.751 3.960 0.000 0.000 0.254 149 G HA3 -0.209 3.751 3.960 0.000 0.000 0.254 149 G C -0.015 174.900 174.900 0.024 0.000 0.981 149 G CA 0.220 45.343 45.100 0.040 0.000 0.670 149 G HN 0.667 nan 8.290 nan 0.000 0.528 150 I N 0.505 121.090 120.570 0.024 0.000 2.312 150 I HA 0.264 4.434 4.170 0.000 0.000 0.290 150 I C 1.554 177.684 176.117 0.022 0.000 1.008 150 I CA -0.835 60.475 61.300 0.016 0.000 1.226 150 I CB 1.366 39.373 38.000 0.012 0.000 1.371 150 I HN -0.007 nan 8.210 nan 0.000 0.468 151 K N 4.254 124.667 120.400 0.022 0.000 2.074 151 K HA -0.233 4.087 4.320 0.000 0.000 0.209 151 K C 2.035 178.652 176.600 0.028 0.000 1.048 151 K CA 1.843 58.147 56.287 0.029 0.000 0.926 151 K CB -0.171 32.349 32.500 0.032 0.000 0.713 151 K HN 0.796 nan 8.250 nan 0.000 0.444 152 A N 0.960 123.795 122.820 0.025 0.000 1.933 152 A HA -0.112 4.208 4.320 0.000 0.000 0.218 152 A C 2.391 179.993 177.584 0.029 0.000 1.175 152 A CA 1.438 53.492 52.037 0.028 0.000 0.628 152 A CB -0.519 18.499 19.000 0.029 0.000 0.814 152 A HN 0.078 nan 8.150 nan 0.000 0.444 153 V N 0.418 120.347 119.914 0.025 0.000 2.239 153 V HA -0.174 3.946 4.120 0.000 0.000 0.242 153 V C 2.109 178.215 176.094 0.021 0.000 1.038 153 V CA 2.067 64.381 62.300 0.022 0.000 1.002 153 V CB -0.866 30.967 31.823 0.017 0.000 0.641 153 V HN 0.454 nan 8.190 nan 0.000 0.449 154 D N 0.577 120.991 120.400 0.023 0.000 2.221 154 D HA -0.134 4.506 4.640 0.000 0.000 0.204 154 D C 2.379 178.693 176.300 0.024 0.000 0.982 154 D CA 1.809 55.822 54.000 0.023 0.000 0.857 154 D CB -0.146 40.672 40.800 0.031 0.000 0.934 154 D HN 0.610 nan 8.370 nan 0.000 0.475 155 S N -0.663 115.054 115.700 0.027 0.000 2.387 155 S HA 0.054 4.524 4.470 0.000 0.000 0.221 155 S C 1.983 176.599 174.600 0.026 0.000 1.041 155 S CA 0.210 58.427 58.200 0.028 0.000 0.959 155 S CB -0.213 63.007 63.200 0.032 0.000 0.843 155 S HN 0.207 nan 8.310 nan 0.000 0.488 156 L N 0.806 122.046 121.223 0.028 0.000 2.500 156 L HA 0.375 4.715 4.340 0.000 0.000 0.219 156 L C 0.159 177.049 176.870 0.032 0.000 1.057 156 L CA 0.144 55.003 54.840 0.032 0.000 0.854 156 L CB 0.551 42.633 42.059 0.038 0.000 1.078 156 L HN 0.189 nan 8.230 nan 0.000 0.480 157 V N 0.615 120.546 119.914 0.029 0.000 2.699 157 V HA 0.240 4.360 4.120 0.000 0.000 0.311 157 V C -2.398 173.704 176.094 0.014 0.000 1.160 157 V CA -1.247 61.068 62.300 0.025 0.000 1.313 157 V CB -0.166 31.674 31.823 0.028 0.000 1.553 157 V HN 0.031 nan 8.190 nan 0.000 0.630 158 P HA 0.269 nan 4.420 nan 0.000 0.271 158 P C -0.329 176.968 177.300 -0.006 0.000 1.216 158 P CA 0.356 63.458 63.100 0.003 0.000 0.771 158 P CB 1.384 33.085 31.700 0.002 0.000 0.864 159 I N 1.945 122.507 120.570 -0.014 0.000 2.392 159 I HA 0.490 4.660 4.170 0.000 0.000 0.295 159 I C 1.137 177.232 176.117 -0.035 0.000 0.985 159 I CA -0.425 60.862 61.300 -0.022 0.000 1.221 159 I CB 1.792 39.778 38.000 -0.023 0.000 1.366 159 I HN 0.329 nan 8.210 nan 0.000 0.467 160 G N 4.486 113.267 108.800 -0.033 0.000 2.441 160 G HA2 0.545 4.505 3.960 0.000 0.000 0.334 160 G HA3 0.545 4.505 3.960 0.000 0.000 0.334 160 G C -0.597 174.277 174.900 -0.043 0.000 1.161 160 G CA -0.850 44.224 45.100 -0.044 0.000 0.935 160 G HN 0.526 nan 8.290 nan 0.000 0.488 161 R N 0.003 120.470 120.500 -0.056 0.000 2.316 161 R HA 0.429 4.769 4.340 0.000 0.000 0.314 161 R C 1.102 177.406 176.300 0.005 0.000 1.069 161 R CA 1.028 57.107 56.100 -0.035 0.000 0.959 161 R CB 0.848 31.107 30.300 -0.069 0.000 0.987 161 R HN 1.058 nan 8.270 nan 0.000 0.446 162 G N 1.790 110.599 108.800 0.017 0.000 2.218 162 G HA2 -0.268 3.692 3.960 0.000 0.000 0.216 162 G HA3 -0.268 3.692 3.960 0.000 0.000 0.216 162 G C 0.200 175.105 174.900 0.009 0.000 0.994 162 G CA -0.291 44.822 45.100 0.021 0.000 0.637 162 G HN 0.563 nan 8.290 nan 0.000 0.505 163 Q N 0.012 119.812 119.800 -0.001 0.000 2.382 163 Q HA 0.672 5.012 4.340 0.000 0.000 0.229 163 Q C -0.169 175.828 176.000 -0.005 0.000 1.006 163 Q CA -0.404 55.396 55.803 -0.004 0.000 0.916 163 Q CB 0.399 29.130 28.738 -0.011 0.000 1.235 163 Q HN 0.283 nan 8.270 nan 0.000 0.512 164 R N 1.875 122.371 120.500 -0.006 0.000 2.371 164 R HA 0.283 4.623 4.340 0.000 0.000 0.312 164 R C -1.519 174.767 176.300 -0.023 0.000 0.980 164 R CA -0.517 55.578 56.100 -0.010 0.000 0.867 164 R CB 1.549 31.846 30.300 -0.005 0.000 1.163 164 R HN 0.406 nan 8.270 nan 0.000 0.492 165 E N 2.770 122.951 120.200 -0.033 0.000 2.155 165 E HA 0.286 4.636 4.350 0.000 0.000 0.264 165 E C -1.267 175.291 176.600 -0.069 0.000 0.886 165 E CA -0.906 55.464 56.400 -0.049 0.000 0.752 165 E CB 0.892 30.567 29.700 -0.041 0.000 1.133 165 E HN 0.385 nan 8.360 nan 0.000 0.414 166 L N 5.411 126.572 121.223 -0.102 0.000 2.380 166 L HA 0.441 4.781 4.340 0.000 0.000 0.273 166 L C -0.891 175.885 176.870 -0.157 0.000 1.138 166 L CA 0.187 54.948 54.840 -0.132 0.000 0.832 166 L CB 0.530 42.489 42.059 -0.168 0.000 1.124 166 L HN 0.642 nan 8.230 nan 0.000 0.454 167 I N 6.912 127.409 120.570 -0.121 0.000 2.330 167 I HA 0.418 4.588 4.170 0.000 0.000 0.289 167 I C -0.385 175.667 176.117 -0.110 0.000 1.001 167 I CA -0.205 61.030 61.300 -0.108 0.000 1.193 167 I CB 1.268 39.237 38.000 -0.051 0.000 1.345 167 I HN 0.568 nan 8.210 nan 0.000 0.461 168 I N 5.405 125.892 120.570 -0.138 0.000 2.619 168 I HA 0.897 5.067 4.170 0.000 0.000 0.292 168 I C -0.463 175.660 176.117 0.009 0.000 1.100 168 I CA -0.011 61.237 61.300 -0.087 0.000 1.043 168 I CB 2.054 39.962 38.000 -0.153 0.000 1.239 168 I HN 0.694 nan 8.210 nan 0.000 0.420 169 G N 4.841 113.668 108.800 0.046 0.000 2.328 169 G HA2 0.195 4.156 3.960 0.000 0.000 0.295 169 G HA3 0.195 4.156 3.960 0.000 0.000 0.295 169 G C -1.942 172.990 174.900 0.053 0.000 1.413 169 G CA -0.774 44.372 45.100 0.077 0.000 0.817 169 G HN 0.517 nan 8.290 nan 0.000 0.546 170 D N 0.254 120.685 120.400 0.052 0.000 2.369 170 D HA 0.320 4.960 4.640 0.000 0.000 0.241 170 D C 1.267 177.571 176.300 0.007 0.000 1.271 170 D CA -0.029 53.992 54.000 0.036 0.000 0.942 170 D CB 0.419 41.243 40.800 0.040 0.000 1.129 170 D HN 0.682 nan 8.370 nan 0.000 0.476 171 R N 0.651 121.154 120.500 0.006 0.000 2.583 171 R HA -0.035 4.305 4.340 0.000 0.000 0.274 171 R C -0.115 176.147 176.300 -0.063 0.000 0.998 171 R CA -0.065 56.028 56.100 -0.012 0.000 1.081 171 R CB 0.019 30.321 30.300 0.004 0.000 0.940 171 R HN 0.245 nan 8.270 nan 0.000 0.413 172 Q N 0.031 119.774 119.800 -0.095 0.000 2.494 172 Q HA -0.164 4.176 4.340 0.000 0.000 0.272 172 Q C 0.399 176.145 176.000 -0.423 0.000 1.145 172 Q CA 1.744 57.424 55.803 -0.205 0.000 0.943 172 Q CB -1.872 26.759 28.738 -0.179 0.000 1.338 172 Q HN 1.017 nan 8.270 nan 0.000 0.492 173 T N -4.838 109.557 114.554 -0.266 0.000 3.081 173 T HA 0.402 4.752 4.350 0.000 0.000 0.250 173 T C 1.236 175.896 174.700 -0.068 0.000 1.100 173 T CA 0.917 62.869 62.100 -0.247 0.000 1.038 173 T CB 0.897 69.734 68.868 -0.051 0.000 0.962 173 T HN 0.836 nan 8.240 nan 0.000 0.516 174 G N 1.494 110.265 108.800 -0.050 0.000 2.145 174 G HA2 -0.195 3.765 3.960 0.000 0.000 0.145 174 G HA3 -0.195 3.765 3.960 0.000 0.000 0.145 174 G C 0.682 175.606 174.900 0.040 0.000 1.017 174 G CA 0.115 45.247 45.100 0.053 0.000 0.682 174 G HN 0.473 nan 8.290 nan 0.000 0.504 175 K N -0.200 120.214 120.400 0.023 0.000 1.985 175 K HA -0.055 4.265 4.320 0.000 0.000 0.210 175 K C 2.542 179.170 176.600 0.047 0.000 1.047 175 K CA 1.874 58.178 56.287 0.027 0.000 0.932 175 K CB -0.412 32.098 32.500 0.017 0.000 0.716 175 K HN 0.267 nan 8.250 nan 0.000 0.439 176 T N 1.327 115.920 114.554 0.064 0.000 2.720 176 T HA -0.135 4.215 4.350 0.000 0.000 0.268 176 T C 2.126 176.875 174.700 0.082 0.000 1.037 176 T CA 1.653 63.816 62.100 0.106 0.000 1.144 176 T CB -0.265 68.673 68.868 0.118 0.000 0.864 176 T HN 0.166 nan 8.240 nan 0.000 0.444 177 S N 1.157 116.890 115.700 0.054 0.000 2.374 177 S HA -0.089 4.381 4.470 0.000 0.000 0.227 177 S C 2.026 176.635 174.600 0.015 0.000 1.037 177 S CA 0.873 59.088 58.200 0.024 0.000 1.024 177 S CB -0.401 62.790 63.200 -0.015 0.000 0.861 177 S HN 0.362 nan 8.310 nan 0.000 0.456 178 I N 1.930 122.515 120.570 0.025 0.000 2.179 178 I HA -0.181 3.989 4.170 0.000 0.000 0.242 178 I C 2.776 178.916 176.117 0.038 0.000 1.088 178 I CA 1.400 62.714 61.300 0.023 0.000 1.357 178 I CB -1.822 36.190 38.000 0.021 0.000 1.051 178 I HN 0.252 nan 8.210 nan 0.000 0.409 179 A N 1.401 124.256 122.820 0.059 0.000 1.883 179 A HA -0.188 4.132 4.320 0.000 0.000 0.217 179 A C 2.202 179.836 177.584 0.083 0.000 1.186 179 A CA 1.534 53.623 52.037 0.087 0.000 0.624 179 A CB -0.606 18.488 19.000 0.157 0.000 0.822 179 A HN 0.286 nan 8.150 nan 0.000 0.444 180 I N 0.350 120.959 120.570 0.066 0.000 2.202 180 I HA -0.178 3.992 4.170 0.000 0.000 0.242 180 I C 1.922 178.084 176.117 0.075 0.000 1.091 180 I CA 1.615 62.943 61.300 0.045 0.000 1.368 180 I CB -1.803 36.229 38.000 0.054 0.000 1.058 180 I HN 0.251 nan 8.210 nan 0.000 0.410 181 D N 0.712 121.155 120.400 0.072 0.000 2.133 181 D HA -0.161 4.479 4.640 0.000 0.000 0.195 181 D C 2.206 178.542 176.300 0.061 0.000 0.997 181 D CA 1.749 55.786 54.000 0.062 0.000 0.840 181 D CB -0.095 40.715 40.800 0.017 0.000 0.947 181 D HN 0.250 nan 8.370 nan 0.000 0.452 182 T N 0.245 114.834 114.554 0.057 0.000 2.708 182 T HA -0.108 4.242 4.350 0.000 0.000 0.266 182 T C 2.138 176.889 174.700 0.085 0.000 1.037 182 T CA 0.726 62.863 62.100 0.062 0.000 1.146 182 T CB -0.262 68.634 68.868 0.046 0.000 0.865 182 T HN 0.170 nan 8.240 nan 0.000 0.435 183 I N 0.669 121.298 120.570 0.099 0.000 2.163 183 I HA -0.155 4.015 4.170 0.000 0.000 0.243 183 I C 2.291 178.537 176.117 0.215 0.000 1.085 183 I CA 1.420 62.814 61.300 0.157 0.000 1.347 183 I CB -0.449 37.621 38.000 0.117 0.000 1.044 183 I HN 0.216 nan 8.210 nan 0.000 0.408 184 I N 0.812 121.464 120.570 0.136 0.000 2.264 184 I HA -0.314 3.857 4.170 0.000 0.000 0.248 184 I C 2.183 178.360 176.117 0.101 0.000 1.111 184 I CA 1.471 62.847 61.300 0.127 0.000 1.382 184 I CB -0.578 37.472 38.000 0.083 0.000 1.060 184 I HN 0.323 nan 8.210 nan 0.000 0.418 185 N N 0.545 119.284 118.700 0.064 0.000 2.364 185 N HA -0.186 4.554 4.740 0.000 0.000 0.183 185 N C 1.774 177.238 175.510 -0.077 0.000 1.022 185 N CA 0.957 54.004 53.050 -0.004 0.000 0.883 185 N CB 0.098 38.610 38.487 0.043 0.000 0.965 185 N HN 0.235 nan 8.380 nan 0.000 0.438 186 Q N 0.263 120.058 119.800 -0.008 0.000 2.369 186 Q HA -0.054 4.286 4.340 0.000 0.000 0.206 186 Q C 1.638 177.436 176.000 -0.337 0.000 0.963 186 Q CA 0.523 56.278 55.803 -0.079 0.000 0.894 186 Q CB -0.174 28.425 28.738 -0.233 0.000 0.965 186 Q HN 0.488 nan 8.270 nan 0.000 0.475 187 K N 1.575 121.836 120.400 -0.231 0.000 2.074 187 K HA -0.208 4.112 4.320 0.000 0.000 0.209 187 K C 1.967 178.418 176.600 -0.248 0.000 1.048 187 K CA 1.638 57.842 56.287 -0.138 0.000 0.926 187 K CB 0.024 32.565 32.500 0.069 0.000 0.713 187 K HN 0.243 nan 8.250 nan 0.000 0.444 188 R N -0.599 119.653 120.500 -0.412 0.000 2.159 188 R HA -0.144 4.196 4.340 0.000 0.000 0.237 188 R C 1.936 177.935 176.300 -0.502 0.000 1.131 188 R CA 1.702 57.502 56.100 -0.499 0.000 0.982 188 R CB -0.611 29.307 30.300 -0.638 0.000 0.868 188 R HN 0.214 nan 8.270 nan 0.000 0.453 189 F N 1.275 121.130 119.950 -0.157 0.000 2.262 189 F HA 0.144 4.671 4.527 0.000 0.000 0.292 189 F C 1.877 177.558 175.800 -0.197 0.000 1.081 189 F CA 0.080 57.977 58.000 -0.172 0.000 1.355 189 F CB -0.284 38.594 39.000 -0.203 0.000 1.069 189 F HN -0.076 nan 8.300 nan 0.000 0.506 190 N N 0.264 118.883 118.700 -0.135 0.000 2.381 190 N HA -0.120 4.620 4.740 0.000 0.000 0.182 190 N C 0.805 176.265 175.510 -0.083 0.000 1.025 190 N CA 1.068 53.997 53.050 -0.203 0.000 0.888 190 N CB -0.454 37.762 38.487 -0.452 0.000 0.965 190 N HN 0.238 nan 8.380 nan 0.000 0.438 191 D N -0.271 120.089 120.400 -0.068 0.000 2.349 191 D HA 0.085 4.725 4.640 0.000 0.000 0.215 191 D C 1.115 177.402 176.300 -0.021 0.000 1.016 191 D CA 0.199 54.182 54.000 -0.030 0.000 0.870 191 D CB -0.136 40.642 40.800 -0.036 0.000 0.917 191 D HN 0.130 nan 8.370 nan 0.000 0.524 192 G N -0.512 108.276 108.800 -0.020 0.000 2.616 192 G HA2 0.254 4.214 3.960 0.000 0.000 0.268 192 G HA3 0.254 4.214 3.960 0.000 0.000 0.268 192 G C 0.852 175.759 174.900 0.012 0.000 1.213 192 G CA -0.246 44.854 45.100 -0.000 0.000 0.926 192 G HN 0.038 nan 8.290 nan 0.000 0.523 193 T N -0.853 113.711 114.554 0.015 0.000 3.081 193 T HA 0.072 4.422 4.350 0.000 0.000 0.250 193 T C 0.374 175.088 174.700 0.024 0.000 1.100 193 T CA 0.175 62.287 62.100 0.019 0.000 1.038 193 T CB 0.192 69.069 68.868 0.015 0.000 0.962 193 T HN 0.437 nan 8.240 nan 0.000 0.516 194 D N 1.903 122.317 120.400 0.024 0.000 2.365 194 D HA 0.178 4.818 4.640 0.000 0.000 0.237 194 D C 1.020 177.334 176.300 0.024 0.000 1.190 194 D CA -0.284 53.730 54.000 0.022 0.000 0.867 194 D CB 1.267 42.077 40.800 0.016 0.000 1.050 194 D HN 0.029 nan 8.370 nan 0.000 0.491 195 E N 2.956 123.178 120.200 0.037 0.000 2.150 195 E HA -0.154 4.196 4.350 0.000 0.000 0.193 195 E C 1.129 177.774 176.600 0.075 0.000 0.985 195 E CA 1.392 57.829 56.400 0.062 0.000 0.814 195 E CB 0.239 29.983 29.700 0.073 0.000 0.752 195 E HN 0.363 nan 8.360 nan 0.000 0.466 196 K N -0.155 120.276 120.400 0.052 0.000 2.366 196 K HA 0.046 4.366 4.320 0.000 0.000 0.198 196 K C 1.578 178.124 176.600 -0.090 0.000 1.044 196 K CA 0.660 56.983 56.287 0.060 0.000 0.973 196 K CB 0.245 32.765 32.500 0.034 0.000 0.767 196 K HN -0.055 nan 8.250 nan 0.000 0.475 197 K N 0.950 121.282 120.400 -0.113 0.000 2.379 197 K HA 0.081 4.401 4.320 0.000 0.000 0.194 197 K C 0.045 176.497 176.600 -0.248 0.000 1.031 197 K CA 0.218 56.357 56.287 -0.246 0.000 1.037 197 K CB 0.351 32.745 32.500 -0.177 0.000 0.824 197 K HN 0.101 nan 8.250 nan 0.000 0.516 198 K N 1.350 121.675 120.400 -0.125 0.000 2.414 198 K HA 0.091 4.411 4.320 0.000 0.000 0.272 198 K C -0.401 176.036 176.600 -0.272 0.000 0.993 198 K CA -0.024 56.142 56.287 -0.201 0.000 0.964 198 K CB 0.431 32.820 32.500 -0.186 0.000 0.925 198 K HN -0.134 nan 8.250 nan 0.000 0.487 199 L N 3.762 124.715 121.223 -0.450 0.000 2.482 199 L HA 0.304 4.644 4.340 0.000 0.000 0.269 199 L C -1.720 174.841 176.870 -0.515 0.000 0.967 199 L CA -0.404 54.223 54.840 -0.355 0.000 0.851 199 L CB 0.921 42.842 42.059 -0.230 0.000 1.242 199 L HN 0.452 nan 8.230 nan 0.000 0.404 200 Y N 3.336 123.495 120.300 -0.236 0.000 2.304 200 Y HA 0.525 5.075 4.550 0.000 0.000 0.328 200 Y C 0.378 176.166 175.900 -0.186 0.000 1.123 200 Y CA -0.142 57.777 58.100 -0.301 0.000 1.218 200 Y CB 1.168 39.128 38.460 -0.834 0.000 1.207 200 Y HN 0.523 nan 8.280 nan 0.000 0.495 201 C N 4.452 123.820 119.300 0.114 0.000 2.411 201 C HA 0.708 5.168 4.460 0.000 0.000 0.330 201 C C -0.151 174.890 174.990 0.086 0.000 1.224 201 C CA -1.128 57.952 59.018 0.102 0.000 1.770 201 C CB 0.230 28.082 27.740 0.187 0.000 2.297 201 C HN 0.652 nan 8.230 nan 0.000 0.507 202 I N 2.305 122.904 120.570 0.050 0.000 2.468 202 I HA 0.251 4.421 4.170 0.000 0.000 0.285 202 I C -1.128 175.004 176.117 0.026 0.000 1.039 202 I CA -0.411 60.915 61.300 0.043 0.000 1.074 202 I CB 1.076 39.086 38.000 0.017 0.000 1.228 202 I HN 0.623 nan 8.210 nan 0.000 0.436 203 Y N 7.187 127.456 120.300 -0.052 0.000 2.342 203 Y HA 0.583 5.134 4.550 0.000 0.000 0.338 203 Y C -0.732 175.139 175.900 -0.050 0.000 0.965 203 Y CA -0.655 57.407 58.100 -0.063 0.000 1.159 203 Y CB 1.171 39.609 38.460 -0.037 0.000 1.157 203 Y HN 0.259 nan 8.280 nan 0.000 0.486 204 V N 6.520 126.148 119.914 -0.477 0.000 2.350 204 V HA 0.617 4.737 4.120 0.000 0.000 0.276 204 V C 0.005 175.816 176.094 -0.472 0.000 1.028 204 V CA -0.647 61.471 62.300 -0.303 0.000 0.860 204 V CB 0.772 32.519 31.823 -0.126 0.000 0.990 204 V HN 0.914 nan 8.190 nan 0.000 0.453 205 A N 6.855 129.549 122.820 -0.209 0.000 2.249 205 A HA 0.844 5.164 4.320 0.000 0.000 0.314 205 A C -0.651 176.921 177.584 -0.021 0.000 1.290 205 A CA -0.315 51.675 52.037 -0.077 0.000 0.893 205 A CB 0.076 19.173 19.000 0.163 0.000 1.165 205 A HN 0.749 nan 8.150 nan 0.000 0.530 206 I N 2.140 122.697 120.570 -0.023 0.000 2.410 206 I HA 0.568 4.738 4.170 0.000 0.000 0.286 206 I C 1.102 177.241 176.117 0.038 0.000 1.009 206 I CA 0.519 61.826 61.300 0.012 0.000 1.111 206 I CB 1.787 39.788 38.000 0.001 0.000 1.262 206 I HN 0.980 nan 8.210 nan 0.000 0.443 207 G N 3.641 112.473 108.800 0.053 0.000 2.179 207 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 207 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 207 G C 0.287 175.221 174.900 0.056 0.000 0.977 207 G CA -0.271 44.864 45.100 0.059 0.000 0.641 207 G HN 0.578 nan 8.290 nan 0.000 0.533 208 Q N 0.470 120.305 119.800 0.059 0.000 2.382 208 Q HA 0.451 4.792 4.340 0.000 0.000 0.229 208 Q C 0.743 176.776 176.000 0.056 0.000 1.006 208 Q CA 0.050 55.891 55.803 0.063 0.000 0.916 208 Q CB 0.626 29.415 28.738 0.085 0.000 1.235 208 Q HN 0.653 nan 8.270 nan 0.000 0.512 209 K N 0.483 120.912 120.400 0.049 0.000 2.202 209 K HA 0.183 4.503 4.320 0.000 0.000 0.264 209 K C 0.415 177.040 176.600 0.041 0.000 1.010 209 K CA -0.469 55.843 56.287 0.041 0.000 0.940 209 K CB 1.024 33.544 32.500 0.034 0.000 0.983 209 K HN 0.430 nan 8.250 nan 0.000 0.475 210 R N 0.630 121.151 120.500 0.035 0.000 2.105 210 R HA -0.147 4.193 4.340 0.000 0.000 0.239 210 R C 2.212 178.526 176.300 0.023 0.000 1.135 210 R CA 2.037 58.155 56.100 0.030 0.000 0.967 210 R CB -0.315 30.000 30.300 0.025 0.000 0.861 210 R HN 0.922 nan 8.270 nan 0.000 0.442 211 S N -0.473 115.239 115.700 0.019 0.000 2.423 211 S HA -0.087 4.383 4.470 0.000 0.000 0.231 211 S C 1.861 176.468 174.600 0.011 0.000 1.014 211 S CA 1.462 59.669 58.200 0.012 0.000 0.965 211 S CB -0.237 62.970 63.200 0.011 0.000 0.785 211 S HN 0.178 nan 8.310 nan 0.000 0.495 212 T N 2.386 116.952 114.554 0.021 0.000 2.812 212 T HA 0.029 4.379 4.350 0.000 0.000 0.264 212 T C 1.906 176.616 174.700 0.016 0.000 1.042 212 T CA 1.284 63.398 62.100 0.023 0.000 1.140 212 T CB -0.483 68.410 68.868 0.041 0.000 0.870 212 T HN 0.294 nan 8.240 nan 0.000 0.445 213 V N 1.807 121.739 119.914 0.031 0.000 2.407 213 V HA -0.141 3.979 4.120 0.000 0.000 0.248 213 V C 2.872 178.957 176.094 -0.015 0.000 1.055 213 V CA 1.582 63.898 62.300 0.027 0.000 1.049 213 V CB -1.195 30.665 31.823 0.062 0.000 0.662 213 V HN 0.510 nan 8.190 nan 0.000 0.455 214 A N -0.795 122.018 122.820 -0.010 0.000 1.902 214 A HA -0.223 4.097 4.320 0.000 0.000 0.217 214 A C 2.215 179.772 177.584 -0.045 0.000 1.181 214 A CA 1.465 53.487 52.037 -0.025 0.000 0.623 214 A CB -0.427 18.564 19.000 -0.015 0.000 0.818 214 A HN 0.512 nan 8.150 nan 0.000 0.443 215 Q N -0.552 119.224 119.800 -0.041 0.000 2.096 215 Q HA -0.147 4.193 4.340 0.000 0.000 0.204 215 Q C 2.150 178.094 176.000 -0.092 0.000 0.982 215 Q CA 1.101 56.870 55.803 -0.058 0.000 0.850 215 Q CB -0.602 28.115 28.738 -0.035 0.000 0.901 215 Q HN 0.635 nan 8.270 nan 0.000 0.422 216 L N 0.970 122.133 121.223 -0.100 0.000 1.970 216 L HA -0.144 4.196 4.340 0.000 0.000 0.212 216 L C 2.427 179.193 176.870 -0.174 0.000 1.071 216 L CA 2.089 56.829 54.840 -0.167 0.000 0.751 216 L CB -1.026 40.890 42.059 -0.237 0.000 0.889 216 L HN 0.213 nan 8.230 nan 0.000 0.432 217 V N -1.184 118.649 119.914 -0.135 0.000 2.626 217 V HA -0.222 3.898 4.120 0.000 0.000 0.252 217 V C 2.596 178.621 176.094 -0.116 0.000 1.067 217 V CA 1.846 64.074 62.300 -0.120 0.000 1.081 217 V CB -0.655 31.120 31.823 -0.080 0.000 0.686 217 V HN 0.464 nan 8.190 nan 0.000 0.468 218 K N 0.259 120.593 120.400 -0.109 0.000 2.025 218 K HA -0.217 4.103 4.320 0.000 0.000 0.207 218 K C 2.444 178.958 176.600 -0.144 0.000 1.049 218 K CA 1.763 57.984 56.287 -0.109 0.000 0.933 218 K CB -0.234 32.210 32.500 -0.094 0.000 0.714 218 K HN 0.451 nan 8.250 nan 0.000 0.438 219 R N 1.311 121.704 120.500 -0.179 0.000 2.091 219 R HA -0.054 4.286 4.340 0.000 0.000 0.238 219 R C 2.230 178.413 176.300 -0.195 0.000 1.136 219 R CA 1.378 57.331 56.100 -0.245 0.000 0.959 219 R CB -0.687 29.434 30.300 -0.297 0.000 0.856 219 R HN 0.231 nan 8.270 nan 0.000 0.437 220 L N -0.702 120.419 121.223 -0.170 0.000 2.093 220 L HA -0.121 4.219 4.340 0.000 0.000 0.208 220 L C 2.079 178.853 176.870 -0.159 0.000 1.085 220 L CA 1.753 56.495 54.840 -0.163 0.000 0.755 220 L CB -0.541 41.409 42.059 -0.180 0.000 0.904 220 L HN 0.283 nan 8.230 nan 0.000 0.435 221 T N -1.195 113.275 114.554 -0.140 0.000 2.812 221 T HA -0.146 4.204 4.350 0.000 0.000 0.264 221 T C 1.411 176.049 174.700 -0.104 0.000 1.042 221 T CA 1.202 63.231 62.100 -0.118 0.000 1.140 221 T CB -0.179 68.632 68.868 -0.096 0.000 0.870 221 T HN 0.260 nan 8.240 nan 0.000 0.445 222 D N 1.496 121.830 120.400 -0.110 0.000 2.218 222 D HA 0.008 4.648 4.640 0.000 0.000 0.204 222 D C 1.918 178.165 176.300 -0.088 0.000 0.976 222 D CA 0.862 54.803 54.000 -0.099 0.000 0.853 222 D CB -0.205 40.522 40.800 -0.121 0.000 0.939 222 D HN 0.429 nan 8.370 nan 0.000 0.481 223 A N -0.012 122.751 122.820 -0.095 0.000 2.275 223 A HA 0.024 4.344 4.320 0.000 0.000 0.212 223 A C 0.510 178.061 177.584 -0.055 0.000 1.201 223 A CA 0.290 52.287 52.037 -0.065 0.000 0.843 223 A CB 0.233 19.201 19.000 -0.053 0.000 0.873 223 A HN 0.004 nan 8.150 nan 0.000 0.492 224 D N -2.557 117.795 120.400 -0.079 0.000 2.800 224 D HA -0.199 4.441 4.640 0.000 0.000 0.232 224 D C 0.712 176.927 176.300 -0.141 0.000 1.137 224 D CA 0.972 54.926 54.000 -0.077 0.000 0.718 224 D CB -1.303 39.480 40.800 -0.027 0.000 1.084 224 D HN 0.548 nan 8.370 nan 0.000 0.432 225 A N -0.699 121.963 122.820 -0.264 0.000 2.288 225 A HA 0.154 4.474 4.320 0.000 0.000 0.216 225 A C 2.057 179.152 177.584 -0.814 0.000 1.199 225 A CA 0.183 51.846 52.037 -0.623 0.000 0.891 225 A CB 0.085 18.907 19.000 -0.298 0.000 0.923 225 A HN 0.241 nan 8.150 nan 0.000 0.500 226 M N 1.055 120.405 119.600 -0.417 0.000 2.229 226 M HA -0.105 4.375 4.480 0.000 0.000 0.264 226 M C 2.001 178.146 176.300 -0.258 0.000 1.063 226 M CA 1.675 56.800 55.300 -0.292 0.000 1.114 226 M CB -0.893 31.609 32.600 -0.163 0.000 1.387 226 M HN 0.687 nan 8.290 nan 0.000 0.420 227 K N 0.306 120.557 120.400 -0.248 0.000 2.281 227 K HA -0.182 4.138 4.320 0.000 0.000 0.203 227 K C 0.860 177.485 176.600 0.040 0.000 1.046 227 K CA 1.663 57.905 56.287 -0.075 0.000 0.938 227 K CB -0.630 31.869 32.500 -0.001 0.000 0.737 227 K HN 0.498 nan 8.250 nan 0.000 0.458 228 Y N -0.757 119.577 120.300 0.058 0.000 2.682 228 Y HA 0.462 5.012 4.550 0.000 0.000 0.251 228 Y C -0.636 175.315 175.900 0.085 0.000 1.172 228 Y CA -1.128 57.032 58.100 0.101 0.000 1.186 228 Y CB 0.003 38.456 38.460 -0.010 0.000 1.216 228 Y HN -0.203 nan 8.280 nan 0.000 0.540 229 T N 2.632 117.186 114.554 -0.001 0.000 2.841 229 T HA 0.615 4.965 4.350 0.000 0.000 0.283 229 T C -0.530 174.199 174.700 0.048 0.000 1.000 229 T CA -0.418 61.697 62.100 0.025 0.000 0.977 229 T CB 1.967 70.777 68.868 -0.097 0.000 0.979 229 T HN 0.138 nan 8.240 nan 0.000 0.446 230 I N 2.315 122.936 120.570 0.085 0.000 2.354 230 I HA 0.435 4.605 4.170 0.000 0.000 0.292 230 I C -0.433 175.732 176.117 0.080 0.000 0.989 230 I CA -1.043 60.305 61.300 0.080 0.000 1.188 230 I CB 1.623 39.686 38.000 0.104 0.000 1.342 230 I HN 0.244 nan 8.210 nan 0.000 0.457 231 V N 7.331 127.287 119.914 0.069 0.000 2.350 231 V HA 0.303 4.423 4.120 0.000 0.000 0.276 231 V C 0.023 176.164 176.094 0.078 0.000 1.028 231 V CA -0.613 61.751 62.300 0.106 0.000 0.860 231 V CB 1.640 33.517 31.823 0.090 0.000 0.990 231 V HN 0.407 nan 8.190 nan 0.000 0.453 232 V N 4.251 124.208 119.914 0.071 0.000 2.370 232 V HA 0.520 4.640 4.120 0.000 0.000 0.283 232 V C 0.180 176.297 176.094 0.040 0.000 1.023 232 V CA -0.126 62.196 62.300 0.037 0.000 0.857 232 V CB 1.661 33.493 31.823 0.015 0.000 0.985 232 V HN 0.823 nan 8.190 nan 0.000 0.443 233 S N 3.754 119.478 115.700 0.040 0.000 2.605 233 S HA 0.780 5.250 4.470 0.000 0.000 0.308 233 S C -0.294 174.329 174.600 0.039 0.000 1.113 233 S CA -0.193 58.037 58.200 0.049 0.000 1.049 233 S CB 1.235 64.473 63.200 0.063 0.000 1.001 233 S HN 1.062 nan 8.310 nan 0.000 0.480 234 A N 4.231 127.075 122.820 0.040 0.000 2.586 234 A HA 0.602 4.922 4.320 0.000 0.000 0.320 234 A C 0.435 178.053 177.584 0.057 0.000 1.281 234 A CA -0.642 51.426 52.037 0.050 0.000 0.775 234 A CB -0.016 19.018 19.000 0.057 0.000 1.122 234 A HN 0.820 nan 8.150 nan 0.000 0.470 235 T N -1.151 113.437 114.554 0.056 0.000 2.771 235 T HA 0.541 4.891 4.350 0.000 0.000 0.290 235 T C 1.560 176.293 174.700 0.056 0.000 1.005 235 T CA 0.089 62.222 62.100 0.055 0.000 0.944 235 T CB 0.915 69.813 68.868 0.050 0.000 1.147 235 T HN 0.997 nan 8.240 nan 0.000 0.534 236 A N 0.597 123.447 122.820 0.051 0.000 2.019 236 A HA -0.001 4.319 4.320 0.000 0.000 0.219 236 A C 2.343 179.955 177.584 0.046 0.000 1.164 236 A CA 1.652 53.718 52.037 0.050 0.000 0.644 236 A CB -1.187 17.839 19.000 0.044 0.000 0.805 236 A HN 1.051 nan 8.150 nan 0.000 0.449 237 S N -0.644 115.081 115.700 0.043 0.000 2.577 237 S HA 0.136 4.606 4.470 0.000 0.000 0.219 237 S C -0.340 174.287 174.600 0.045 0.000 0.962 237 S CA -0.456 57.767 58.200 0.038 0.000 0.921 237 S CB -0.135 63.084 63.200 0.030 0.000 0.789 237 S HN 0.344 nan 8.310 nan 0.000 0.497 238 D N 3.097 123.530 120.400 0.056 0.000 2.350 238 D HA 0.522 5.162 4.640 0.000 0.000 0.249 238 D C 0.408 176.757 176.300 0.083 0.000 1.119 238 D CA 0.103 54.145 54.000 0.070 0.000 0.886 238 D CB 1.372 42.217 40.800 0.076 0.000 1.195 238 D HN 0.433 nan 8.370 nan 0.000 0.437 239 A N 1.964 124.838 122.820 0.091 0.000 2.587 239 A HA 0.244 4.564 4.320 0.000 0.000 0.233 239 A C 1.579 179.236 177.584 0.123 0.000 1.049 239 A CA 0.500 52.592 52.037 0.091 0.000 0.754 239 A CB 0.125 19.180 19.000 0.092 0.000 0.977 239 A HN 0.671 nan 8.150 nan 0.000 0.509 240 A N 3.540 126.419 122.820 0.099 0.000 1.940 240 A HA -0.149 4.171 4.320 0.000 0.000 0.221 240 A C -0.074 177.631 177.584 0.202 0.000 1.190 240 A CA 2.339 54.452 52.037 0.127 0.000 0.647 240 A CB -1.788 17.260 19.000 0.081 0.000 0.821 240 A HN 0.674 nan 8.150 nan 0.000 0.457 241 P HA -0.116 nan 4.420 nan 0.000 0.216 241 P C 1.422 179.053 177.300 0.551 0.000 1.150 241 P CA 0.835 64.138 63.100 0.338 0.000 0.837 241 P CB -0.128 31.644 31.700 0.121 0.000 0.786 242 L N -1.032 120.456 121.223 0.441 0.000 2.093 242 L HA -0.195 4.145 4.340 0.000 0.000 0.208 242 L C 2.541 179.537 176.870 0.209 0.000 1.085 242 L CA 1.540 56.556 54.840 0.294 0.000 0.755 242 L CB -0.810 41.374 42.059 0.207 0.000 0.904 242 L HN 0.035 nan 8.230 nan 0.000 0.435 243 Q N -1.286 118.643 119.800 0.214 0.000 2.123 243 Q HA -0.220 4.120 4.340 0.000 0.000 0.199 243 Q C 2.086 178.206 176.000 0.199 0.000 0.966 243 Q CA 1.451 57.354 55.803 0.166 0.000 0.845 243 Q CB -0.255 28.573 28.738 0.150 0.000 0.907 243 Q HN 0.466 nan 8.270 nan 0.000 0.439 244 Y N 1.210 121.603 120.300 0.156 0.000 2.165 244 Y HA -0.268 4.282 4.550 0.000 0.000 0.286 244 Y C 1.888 177.912 175.900 0.208 0.000 1.155 244 Y CA 1.393 59.600 58.100 0.178 0.000 1.164 244 Y CB -0.173 38.423 38.460 0.228 0.000 0.978 244 Y HN 0.080 nan 8.280 nan 0.000 0.513 245 L N 0.181 121.501 121.223 0.162 0.000 2.179 245 L HA 0.085 4.425 4.340 0.000 0.000 0.208 245 L C 2.551 179.430 176.870 0.015 0.000 1.096 245 L CA 1.445 56.327 54.840 0.070 0.000 0.779 245 L CB -0.952 41.204 42.059 0.161 0.000 0.922 245 L HN 0.308 nan 8.230 nan 0.000 0.443 246 A N 0.675 123.493 122.820 -0.004 0.000 1.884 246 A HA -0.192 4.128 4.320 0.000 0.000 0.219 246 A C -0.021 177.514 177.584 -0.081 0.000 1.197 246 A CA 2.296 54.315 52.037 -0.030 0.000 0.637 246 A CB -2.123 16.872 19.000 -0.009 0.000 0.827 246 A HN 0.383 nan 8.150 nan 0.000 0.450 247 P HA -0.167 nan 4.420 nan 0.000 0.215 247 P C 0.907 178.007 177.300 -0.333 0.000 1.153 247 P CA 1.417 64.327 63.100 -0.317 0.000 0.853 247 P CB -0.235 30.993 31.700 -0.787 0.000 0.788 248 Y N -0.599 119.599 120.300 -0.170 0.000 2.242 248 Y HA -0.115 4.435 4.550 0.000 0.000 0.291 248 Y C 2.605 178.466 175.900 -0.066 0.000 1.137 248 Y CA 1.149 59.161 58.100 -0.147 0.000 1.181 248 Y CB -1.150 37.172 38.460 -0.231 0.000 0.989 248 Y HN -0.078 nan 8.280 nan 0.000 0.527 249 S N 0.046 115.786 115.700 0.067 0.000 2.348 249 S HA -0.183 4.287 4.470 0.000 0.000 0.221 249 S C 2.439 177.063 174.600 0.040 0.000 1.033 249 S CA 1.263 59.482 58.200 0.032 0.000 1.010 249 S CB -1.119 62.077 63.200 -0.006 0.000 0.891 249 S HN 0.654 nan 8.310 nan 0.000 0.442 250 G N 0.236 109.063 108.800 0.045 0.000 2.442 250 G HA2 -0.287 3.673 3.960 0.000 0.000 0.219 250 G HA3 -0.287 3.673 3.960 0.000 0.000 0.219 250 G C 1.729 176.682 174.900 0.089 0.000 1.141 250 G CA 1.110 46.244 45.100 0.057 0.000 0.763 250 G HN 0.586 nan 8.290 nan 0.000 0.554 251 C N 0.482 119.858 119.300 0.126 0.000 2.453 251 C HA 0.001 4.461 4.460 0.000 0.000 0.277 251 C C 3.275 178.335 174.990 0.116 0.000 1.262 251 C CA 1.660 60.765 59.018 0.145 0.000 1.718 251 C CB -0.974 26.855 27.740 0.149 0.000 2.031 251 C HN 0.378 nan 8.230 nan 0.000 0.480 252 S N 0.795 116.552 115.700 0.095 0.000 2.374 252 S HA -0.249 4.222 4.470 0.000 0.000 0.227 252 S C 1.720 176.372 174.600 0.086 0.000 1.037 252 S CA 2.302 60.548 58.200 0.077 0.000 1.024 252 S CB -0.428 62.801 63.200 0.049 0.000 0.861 252 S HN 0.676 nan 8.310 nan 0.000 0.456 253 M N 0.759 120.410 119.600 0.084 0.000 2.159 253 M HA -0.035 4.445 4.480 0.000 0.000 0.263 253 M C 2.496 178.949 176.300 0.255 0.000 1.063 253 M CA 1.459 56.818 55.300 0.099 0.000 1.110 253 M CB -0.815 31.838 32.600 0.088 0.000 1.374 253 M HN 0.447 nan 8.290 nan 0.000 0.411 254 G N 0.177 109.132 108.800 0.259 0.000 2.408 254 G HA2 -0.166 3.794 3.960 0.000 0.000 0.217 254 G HA3 -0.166 3.794 3.960 0.000 0.000 0.217 254 G C 1.332 176.410 174.900 0.296 0.000 1.150 254 G CA 0.516 45.821 45.100 0.341 0.000 0.776 254 G HN 0.493 nan 8.290 nan 0.000 0.542 255 E N -0.636 119.674 120.200 0.183 0.000 2.265 255 E HA -0.144 4.206 4.350 0.000 0.000 0.196 255 E C 1.914 178.569 176.600 0.092 0.000 0.996 255 E CA 0.657 57.130 56.400 0.122 0.000 0.832 255 E CB -0.209 29.544 29.700 0.090 0.000 0.756 255 E HN 0.682 nan 8.360 nan 0.000 0.491 256 Y N 0.100 120.362 120.300 -0.063 0.000 2.242 256 Y HA -0.211 4.339 4.550 0.000 0.000 0.291 256 Y C 1.552 177.290 175.900 -0.271 0.000 1.137 256 Y CA 1.384 59.359 58.100 -0.209 0.000 1.181 256 Y CB -0.177 38.072 38.460 -0.352 0.000 0.989 256 Y HN -0.075 nan 8.280 nan 0.000 0.527 257 F N 0.132 120.066 119.950 -0.028 0.000 2.128 257 F HA -0.037 4.491 4.527 0.000 0.000 0.295 257 F C 2.765 178.469 175.800 -0.159 0.000 1.100 257 F CA 1.510 59.422 58.000 -0.147 0.000 1.260 257 F CB -0.604 38.403 39.000 0.012 0.000 1.009 257 F HN -0.145 nan 8.300 nan 0.000 0.476 258 R N 0.624 121.188 120.500 0.106 0.000 2.103 258 R HA -0.202 4.138 4.340 0.000 0.000 0.242 258 R C 1.164 177.446 176.300 -0.029 0.000 1.142 258 R CA 2.236 58.355 56.100 0.030 0.000 0.960 258 R CB -0.386 29.948 30.300 0.058 0.000 0.858 258 R HN 0.198 nan 8.270 nan 0.000 0.439 259 D N -0.568 119.797 120.400 -0.059 0.000 2.354 259 D HA 0.014 4.654 4.640 0.000 0.000 0.209 259 D C 0.201 176.425 176.300 -0.128 0.000 1.015 259 D CA 0.497 54.466 54.000 -0.052 0.000 0.867 259 D CB 0.106 40.893 40.800 -0.022 0.000 0.933 259 D HN 0.210 nan 8.370 nan 0.000 0.520 260 N N 0.227 118.781 118.700 -0.243 0.000 2.453 260 N HA 0.181 4.921 4.740 0.000 0.000 0.270 260 N C 0.800 176.194 175.510 -0.192 0.000 1.195 260 N CA 0.083 52.965 53.050 -0.281 0.000 0.902 260 N CB 1.329 39.494 38.487 -0.536 0.000 1.186 260 N HN 0.074 nan 8.380 nan 0.000 0.510 261 G N 0.975 109.692 108.800 -0.139 0.000 2.155 261 G HA2 -0.309 3.651 3.960 0.000 0.000 0.257 261 G HA3 -0.309 3.651 3.960 0.000 0.000 0.257 261 G C 0.203 174.993 174.900 -0.182 0.000 0.983 261 G CA 0.594 45.619 45.100 -0.126 0.000 0.676 261 G HN 0.350 nan 8.290 nan 0.000 0.528 262 K N -0.954 119.339 120.400 -0.179 0.000 2.316 262 K HA 0.690 5.010 4.320 0.000 0.000 0.234 262 K C -0.587 175.826 176.600 -0.312 0.000 1.054 262 K CA -0.969 55.239 56.287 -0.131 0.000 0.879 262 K CB 0.986 33.596 32.500 0.184 0.000 1.252 262 K HN 0.354 nan 8.250 nan 0.000 0.471 263 H N -0.656 118.520 119.070 0.177 0.000 2.495 263 H HA 0.591 5.147 4.556 0.000 0.000 0.348 263 H C -1.127 174.244 175.328 0.071 0.000 1.113 263 H CA -0.767 55.336 56.048 0.092 0.000 1.195 263 H CB 1.977 31.742 29.762 0.005 0.000 1.521 263 H HN 0.630 nan 8.280 nan 0.000 0.509 264 A N 2.427 125.333 122.820 0.143 0.000 2.454 264 A HA 0.638 4.958 4.320 0.000 0.000 0.302 264 A C -1.594 176.007 177.584 0.029 0.000 1.079 264 A CA -0.716 51.345 52.037 0.040 0.000 0.731 264 A CB 1.338 20.379 19.000 0.069 0.000 1.299 264 A HN 0.562 nan 8.150 nan 0.000 0.413 265 L N 1.916 123.134 121.223 -0.008 0.000 2.341 265 L HA 0.829 5.169 4.340 0.000 0.000 0.278 265 L C -1.087 175.746 176.870 -0.061 0.000 1.005 265 L CA -0.423 54.400 54.840 -0.029 0.000 0.818 265 L CB 1.272 43.316 42.059 -0.025 0.000 1.259 265 L HN 0.690 nan 8.230 nan 0.000 0.418 266 I N 5.070 125.557 120.570 -0.138 0.000 2.465 266 I HA 0.554 4.724 4.170 0.000 0.000 0.291 266 I C -1.269 174.574 176.117 -0.456 0.000 1.014 266 I CA -0.587 60.533 61.300 -0.301 0.000 1.093 266 I CB 1.553 39.313 38.000 -0.401 0.000 1.267 266 I HN 0.652 nan 8.210 nan 0.000 0.431 267 I N 7.829 128.127 120.570 -0.453 0.000 2.378 267 I HA 0.279 4.450 4.170 0.000 0.000 0.291 267 I C -1.213 174.540 176.117 -0.607 0.000 0.992 267 I CA -0.099 60.953 61.300 -0.413 0.000 1.154 267 I CB 1.317 39.236 38.000 -0.134 0.000 1.315 267 I HN 0.354 nan 8.210 nan 0.000 0.448 268 Y N 4.224 124.381 120.300 -0.239 0.000 2.491 268 Y HA 0.393 4.943 4.550 0.000 0.000 0.334 268 Y C -0.116 175.620 175.900 -0.273 0.000 0.969 268 Y CA -0.726 57.204 58.100 -0.282 0.000 1.241 268 Y CB 0.827 39.127 38.460 -0.266 0.000 1.105 268 Y HN 0.399 nan 8.280 nan 0.000 0.503 269 D N 3.826 124.091 120.400 -0.225 0.000 2.432 269 D HA 0.188 4.828 4.640 0.000 0.000 0.265 269 D C -1.275 174.967 176.300 -0.097 0.000 1.160 269 D CA -0.363 53.531 54.000 -0.177 0.000 0.911 269 D CB 0.268 40.905 40.800 -0.272 0.000 1.052 269 D HN 0.691 nan 8.370 nan 0.000 0.508 270 D N 0.140 120.513 120.400 -0.044 0.000 2.579 270 D HA 0.231 4.871 4.640 0.000 0.000 0.257 270 D C 0.698 176.965 176.300 -0.056 0.000 1.176 270 D CA -0.725 53.247 54.000 -0.047 0.000 0.914 270 D CB 0.924 41.711 40.800 -0.023 0.000 1.431 270 D HN 0.075 nan 8.370 nan 0.000 0.454 271 L N 0.163 121.318 121.223 -0.114 0.000 2.418 271 L HA 0.017 4.357 4.340 0.000 0.000 0.218 271 L C 1.720 178.579 176.870 -0.018 0.000 1.125 271 L CA 0.397 55.124 54.840 -0.189 0.000 0.835 271 L CB -0.290 41.421 42.059 -0.579 0.000 0.953 271 L HN 0.400 nan 8.230 nan 0.000 0.454 272 S N 0.244 115.947 115.700 0.005 0.000 2.368 272 S HA -0.162 4.308 4.470 0.000 0.000 0.225 272 S C 1.895 176.570 174.600 0.124 0.000 1.030 272 S CA 1.245 59.490 58.200 0.075 0.000 0.999 272 S CB -0.070 63.166 63.200 0.060 0.000 0.844 272 S HN 0.410 nan 8.310 nan 0.000 0.459 273 K N 0.985 121.440 120.400 0.093 0.000 2.155 273 K HA -0.009 4.311 4.320 0.000 0.000 0.203 273 K C 2.401 179.082 176.600 0.135 0.000 1.052 273 K CA 0.610 56.961 56.287 0.107 0.000 0.948 273 K CB -0.139 32.406 32.500 0.075 0.000 0.728 273 K HN 0.356 nan 8.250 nan 0.000 0.448 274 Q N 0.898 120.771 119.800 0.122 0.000 2.119 274 Q HA -0.127 4.213 4.340 0.000 0.000 0.201 274 Q C 2.014 178.164 176.000 0.251 0.000 0.972 274 Q CA 1.407 57.304 55.803 0.157 0.000 0.847 274 Q CB -0.035 28.748 28.738 0.075 0.000 0.903 274 Q HN 0.303 nan 8.270 nan 0.000 0.433 275 A N -0.021 122.954 122.820 0.259 0.000 1.933 275 A HA -0.111 4.209 4.320 0.000 0.000 0.218 275 A C 2.200 180.058 177.584 0.457 0.000 1.175 275 A CA 1.351 53.567 52.037 0.298 0.000 0.628 275 A CB -0.565 18.498 19.000 0.104 0.000 0.814 275 A HN 0.285 nan 8.150 nan 0.000 0.444 276 V N -0.167 119.967 119.914 0.367 0.000 2.295 276 V HA -0.244 3.876 4.120 0.000 0.000 0.246 276 V C 3.070 179.276 176.094 0.186 0.000 1.049 276 V CA 1.943 64.400 62.300 0.261 0.000 1.024 276 V CB -1.239 30.692 31.823 0.178 0.000 0.648 276 V HN 0.609 nan 8.190 nan 0.000 0.447 277 A N -0.841 122.103 122.820 0.205 0.000 1.902 277 A HA -0.286 4.034 4.320 0.000 0.000 0.217 277 A C 2.197 179.918 177.584 0.229 0.000 1.181 277 A CA 2.143 54.295 52.037 0.192 0.000 0.623 277 A CB -0.841 18.287 19.000 0.214 0.000 0.818 277 A HN 0.620 nan 8.150 nan 0.000 0.443 278 Y N 0.721 121.123 120.300 0.170 0.000 2.207 278 Y HA -0.236 4.314 4.550 0.000 0.000 0.287 278 Y C 2.475 178.413 175.900 0.062 0.000 1.156 278 Y CA 2.007 60.177 58.100 0.117 0.000 1.182 278 Y CB -0.493 38.098 38.460 0.219 0.000 0.979 278 Y HN 0.395 nan 8.280 nan 0.000 0.521 279 R N 0.210 120.733 120.500 0.038 0.000 2.073 279 R HA -0.225 4.115 4.340 0.000 0.000 0.234 279 R C 2.471 178.689 176.300 -0.137 0.000 1.134 279 R CA 1.835 57.866 56.100 -0.115 0.000 0.952 279 R CB -0.534 29.687 30.300 -0.131 0.000 0.850 279 R HN 0.556 nan 8.270 nan 0.000 0.433 280 Q N 0.394 120.155 119.800 -0.064 0.000 2.045 280 Q HA -0.272 4.068 4.340 0.000 0.000 0.206 280 Q C 2.195 178.147 176.000 -0.080 0.000 0.991 280 Q CA 2.277 58.045 55.803 -0.059 0.000 0.851 280 Q CB -0.182 28.547 28.738 -0.015 0.000 0.911 280 Q HN 0.481 nan 8.270 nan 0.000 0.418 281 M N -0.248 119.304 119.600 -0.080 0.000 2.080 281 M HA -0.195 4.285 4.480 0.000 0.000 0.260 281 M C 2.375 178.583 176.300 -0.153 0.000 1.068 281 M CA 2.010 57.248 55.300 -0.104 0.000 1.109 281 M CB -0.185 32.351 32.600 -0.105 0.000 1.342 281 M HN 0.287 nan 8.290 nan 0.000 0.405 282 S N 0.316 115.869 115.700 -0.245 0.000 2.368 282 S HA -0.106 4.364 4.470 0.000 0.000 0.224 282 S C 1.784 176.285 174.600 -0.166 0.000 1.029 282 S CA 1.087 59.127 58.200 -0.266 0.000 0.988 282 S CB -0.371 62.529 63.200 -0.501 0.000 0.838 282 S HN 0.555 nan 8.310 nan 0.000 0.462 283 L N 0.813 121.947 121.223 -0.149 0.000 2.046 283 L HA -0.044 4.296 4.340 0.000 0.000 0.208 283 L C 2.301 179.124 176.870 -0.078 0.000 1.077 283 L CA 1.115 55.893 54.840 -0.103 0.000 0.747 283 L CB -0.422 41.579 42.059 -0.096 0.000 0.896 283 L HN 0.347 nan 8.230 nan 0.000 0.432 284 L N -0.816 120.361 121.223 -0.077 0.000 2.291 284 L HA -0.142 4.198 4.340 0.000 0.000 0.214 284 L C 2.146 178.984 176.870 -0.054 0.000 1.120 284 L CA 0.527 55.332 54.840 -0.058 0.000 0.799 284 L CB -0.219 41.808 42.059 -0.054 0.000 0.925 284 L HN 0.266 nan 8.230 nan 0.000 0.446 285 L N -0.188 120.995 121.223 -0.066 0.000 2.622 285 L HA -0.000 4.340 4.340 0.000 0.000 0.233 285 L C 0.701 177.544 176.870 -0.045 0.000 1.156 285 L CA 0.047 54.854 54.840 -0.055 0.000 0.866 285 L CB -0.111 41.909 42.059 -0.066 0.000 0.980 285 L HN 0.310 nan 8.230 nan 0.000 0.448 286 R N -0.635 119.836 120.500 -0.048 0.000 3.872 286 R HA -0.143 4.197 4.340 0.000 0.000 0.341 286 R C -0.226 176.052 176.300 -0.036 0.000 1.172 286 R CA 0.522 56.599 56.100 -0.038 0.000 0.901 286 R CB -2.313 27.971 30.300 -0.026 0.000 1.422 286 R HN 0.417 nan 8.270 nan 0.000 0.523 287 R N 1.726 122.197 120.500 -0.048 0.000 2.316 287 R HA 0.247 4.587 4.340 0.000 0.000 0.314 287 R C -2.010 174.264 176.300 -0.043 0.000 1.069 287 R CA -1.625 54.450 56.100 -0.042 0.000 0.959 287 R CB 0.373 30.640 30.300 -0.055 0.000 0.987 287 R HN -0.134 nan 8.270 nan 0.000 0.446 288 P HA -0.010 nan 4.420 nan 0.000 0.265 288 P C -2.241 175.046 177.300 -0.021 0.000 1.187 288 P CA -0.757 62.330 63.100 -0.021 0.000 0.766 288 P CB 0.076 31.771 31.700 -0.009 0.000 0.820 289 P HA 0.141 nan 4.420 nan 0.000 0.276 289 P C 0.222 177.526 177.300 0.007 0.000 1.235 289 P CA 0.160 63.247 63.100 -0.022 0.000 0.772 289 P CB 1.042 32.719 31.700 -0.037 0.000 0.871 290 G N 2.917 111.744 108.800 0.044 0.000 2.849 290 G HA2 0.265 4.225 3.960 0.000 0.000 0.174 290 G HA3 0.265 4.225 3.960 0.000 0.000 0.174 290 G C -0.394 174.545 174.900 0.065 0.000 1.370 290 G CA -0.817 44.324 45.100 0.069 0.000 1.040 290 G HN 0.542 nan 8.290 nan 0.000 0.582 291 R N 0.824 121.357 120.500 0.055 0.000 2.502 291 R HA 0.066 4.406 4.340 0.000 0.000 0.292 291 R C 0.079 176.459 176.300 0.133 0.000 0.998 291 R CA 0.519 56.585 56.100 -0.056 0.000 1.056 291 R CB -0.027 30.009 30.300 -0.440 0.000 0.939 291 R HN 0.657 nan 8.270 nan 0.000 0.411 292 E N 2.545 122.795 120.200 0.082 0.000 2.660 292 E HA -0.350 4.000 4.350 0.000 0.000 0.260 292 E C 0.469 177.053 176.600 -0.028 0.000 1.122 292 E CA 0.843 57.313 56.400 0.117 0.000 0.755 292 E CB -1.864 28.039 29.700 0.340 0.000 1.345 292 E HN 0.900 nan 8.360 nan 0.000 0.421 293 A N -2.015 120.792 122.820 -0.021 0.000 3.413 293 A HA -0.332 3.988 4.320 0.000 0.000 0.268 293 A C 0.364 177.881 177.584 -0.112 0.000 1.128 293 A CA 1.785 53.769 52.037 -0.089 0.000 1.062 293 A CB -2.214 16.700 19.000 -0.144 0.000 1.121 293 A HN 0.418 nan 8.150 nan 0.000 0.895 294 Y N 0.184 120.537 120.300 0.088 0.000 2.550 294 Y HA 0.359 4.909 4.550 0.000 0.000 0.343 294 Y C -1.449 174.483 175.900 0.054 0.000 1.245 294 Y CA -0.870 57.287 58.100 0.093 0.000 1.462 294 Y CB 0.065 38.659 38.460 0.223 0.000 1.340 294 Y HN 0.186 nan 8.280 nan 0.000 0.604 295 P HA -0.019 nan 4.420 nan 0.000 0.269 295 P C 0.650 178.070 177.300 0.200 0.000 1.215 295 P CA 0.395 63.528 63.100 0.056 0.000 0.780 295 P CB 0.681 32.283 31.700 -0.163 0.000 0.898 296 G N 1.827 110.723 108.800 0.160 0.000 2.462 296 G HA2 -0.220 3.740 3.960 0.000 0.000 0.220 296 G HA3 -0.220 3.740 3.960 0.000 0.000 0.220 296 G C 0.550 175.591 174.900 0.235 0.000 1.121 296 G CA 0.757 45.966 45.100 0.182 0.000 0.758 296 G HN 0.636 nan 8.290 nan 0.000 0.559 297 D N 0.736 121.301 120.400 0.275 0.000 2.587 297 D HA 0.077 4.717 4.640 0.000 0.000 0.233 297 D C 1.984 178.491 176.300 0.345 0.000 1.213 297 D CA 0.158 54.357 54.000 0.332 0.000 0.827 297 D CB -0.206 40.809 40.800 0.359 0.000 1.006 297 D HN 0.258 nan 8.370 nan 0.000 0.490 298 V N -2.285 117.799 119.914 0.284 0.000 2.490 298 V HA -0.163 3.957 4.120 0.000 0.000 0.250 298 V C 2.209 178.256 176.094 -0.080 0.000 1.061 298 V CA 0.994 63.347 62.300 0.089 0.000 1.064 298 V CB -1.435 30.326 31.823 -0.104 0.000 0.670 298 V HN 0.184 nan 8.190 nan 0.000 0.461 299 F N 1.227 121.144 119.950 -0.055 0.000 2.069 299 F HA -0.216 4.311 4.527 0.000 0.000 0.298 299 F C 2.395 178.224 175.800 0.048 0.000 1.113 299 F CA 2.150 60.134 58.000 -0.026 0.000 1.214 299 F CB -0.701 38.328 39.000 0.048 0.000 0.978 299 F HN 0.203 nan 8.300 nan 0.000 0.474 300 Y N 0.812 121.090 120.300 -0.036 0.000 2.207 300 Y HA -0.234 4.316 4.550 0.000 0.000 0.287 300 Y C 2.209 177.994 175.900 -0.191 0.000 1.156 300 Y CA 1.729 59.757 58.100 -0.119 0.000 1.182 300 Y CB -1.039 37.460 38.460 0.066 0.000 0.979 300 Y HN 0.268 nan 8.280 nan 0.000 0.521 301 L N -0.218 120.829 121.223 -0.294 0.000 2.013 301 L HA -0.299 4.041 4.340 0.000 0.000 0.212 301 L C 2.210 178.897 176.870 -0.305 0.000 1.073 301 L CA 2.524 57.119 54.840 -0.407 0.000 0.753 301 L CB -0.779 40.980 42.059 -0.501 0.000 0.890 301 L HN 0.394 nan 8.230 nan 0.000 0.432 302 H N -1.989 116.872 119.070 -0.347 0.000 2.431 302 H HA -0.007 4.549 4.556 0.000 0.000 0.295 302 H C 2.374 177.450 175.328 -0.419 0.000 1.038 302 H CA 0.757 56.574 56.048 -0.386 0.000 1.360 302 H CB 0.084 29.640 29.762 -0.343 0.000 1.433 302 H HN 0.535 nan 8.280 nan 0.000 0.536 303 S N 1.671 117.099 115.700 -0.453 0.000 2.383 303 S HA -0.209 4.261 4.470 0.000 0.000 0.227 303 S C 2.091 176.567 174.600 -0.207 0.000 1.026 303 S CA 1.122 59.059 58.200 -0.437 0.000 0.981 303 S CB -0.246 62.494 63.200 -0.766 0.000 0.818 303 S HN 0.523 nan 8.310 nan 0.000 0.472 304 R N 0.639 121.007 120.500 -0.220 0.000 2.115 304 R HA 0.100 4.440 4.340 0.000 0.000 0.230 304 R C 2.283 178.528 176.300 -0.092 0.000 1.111 304 R CA 1.152 57.161 56.100 -0.152 0.000 0.976 304 R CB -0.741 29.335 30.300 -0.374 0.000 0.870 304 R HN 0.445 nan 8.270 nan 0.000 0.445 305 L N 1.408 122.562 121.223 -0.115 0.000 2.005 305 L HA -0.010 4.330 4.340 0.000 0.000 0.207 305 L C 2.178 178.966 176.870 -0.135 0.000 1.072 305 L CA 1.571 56.319 54.840 -0.154 0.000 0.744 305 L CB -0.341 41.454 42.059 -0.441 0.000 0.895 305 L HN 0.194 nan 8.230 nan 0.000 0.433 306 L N -0.558 120.574 121.223 -0.152 0.000 2.275 306 L HA -0.096 4.244 4.340 0.000 0.000 0.215 306 L C 2.408 179.262 176.870 -0.028 0.000 1.119 306 L CA 0.608 55.402 54.840 -0.076 0.000 0.790 306 L CB -0.581 41.417 42.059 -0.101 0.000 0.919 306 L HN 0.326 nan 8.230 nan 0.000 0.443 307 E N 0.361 120.541 120.200 -0.034 0.000 2.338 307 E HA -0.143 4.207 4.350 0.000 0.000 0.197 307 E C 2.137 178.739 176.600 0.003 0.000 1.007 307 E CA 0.626 57.022 56.400 -0.008 0.000 0.849 307 E CB 0.109 29.809 29.700 0.001 0.000 0.774 307 E HN 0.497 nan 8.360 nan 0.000 0.506 308 R N 0.503 121.008 120.500 0.009 0.000 2.153 308 R HA 0.080 4.420 4.340 0.000 0.000 0.218 308 R C 1.024 177.346 176.300 0.037 0.000 1.072 308 R CA 0.449 56.565 56.100 0.026 0.000 0.990 308 R CB 0.004 30.328 30.300 0.040 0.000 0.889 308 R HN -0.079 nan 8.270 nan 0.000 0.452 309 A N 1.364 124.209 122.820 0.042 0.000 2.492 309 A HA 0.519 4.839 4.320 0.000 0.000 0.254 309 A C -0.116 177.481 177.584 0.022 0.000 1.091 309 A CA 0.282 52.343 52.037 0.040 0.000 0.768 309 A CB 0.172 19.197 19.000 0.041 0.000 1.028 309 A HN 0.336 nan 8.150 nan 0.000 0.498 310 A N 2.395 125.228 122.820 0.022 0.000 2.608 310 A HA 0.693 5.013 4.320 0.000 0.000 0.292 310 A C -0.782 176.812 177.584 0.017 0.000 1.066 310 A CA -0.764 51.278 52.037 0.008 0.000 0.676 310 A CB 1.082 20.076 19.000 -0.011 0.000 1.277 310 A HN 0.867 nan 8.150 nan 0.000 0.413 311 K N 1.549 121.955 120.400 0.010 0.000 2.235 311 K HA 0.642 4.962 4.320 0.000 0.000 0.266 311 K C -0.635 175.968 176.600 0.004 0.000 0.980 311 K CA -0.338 55.963 56.287 0.024 0.000 0.849 311 K CB 0.581 33.097 32.500 0.027 0.000 1.098 311 K HN 0.602 nan 8.250 nan 0.000 0.445 312 M N 3.259 122.869 119.600 0.015 0.000 2.277 312 M HA 0.235 4.715 4.480 0.000 0.000 0.350 312 M C 0.161 176.486 176.300 0.043 0.000 1.180 312 M CA -0.897 54.407 55.300 0.008 0.000 1.103 312 M CB 0.571 33.196 32.600 0.041 0.000 1.577 312 M HN 0.760 nan 8.290 nan 0.000 0.459 313 N N 1.048 119.779 118.700 0.052 0.000 2.347 313 N HA 0.069 4.809 4.740 0.000 0.000 0.253 313 N C 0.091 175.680 175.510 0.131 0.000 1.274 313 N CA -0.138 52.965 53.050 0.088 0.000 0.941 313 N CB 0.523 39.062 38.487 0.087 0.000 1.200 313 N HN 0.410 nan 8.380 nan 0.000 0.514 314 D N -0.491 119.967 120.400 0.097 0.000 2.144 314 D HA -0.063 4.577 4.640 0.000 0.000 0.200 314 D C 1.702 178.042 176.300 0.066 0.000 0.978 314 D CA 1.674 55.717 54.000 0.071 0.000 0.833 314 D CB -0.684 40.144 40.800 0.046 0.000 0.961 314 D HN 0.715 nan 8.370 nan 0.000 0.470 315 A N -0.467 122.408 122.820 0.091 0.000 2.076 315 A HA -0.136 4.184 4.320 0.000 0.000 0.220 315 A C 1.476 179.008 177.584 -0.086 0.000 1.160 315 A CA 0.888 52.938 52.037 0.021 0.000 0.653 315 A CB -0.606 18.429 19.000 0.059 0.000 0.801 315 A HN 0.183 nan 8.150 nan 0.000 0.455 316 F N -1.789 118.151 119.950 -0.016 0.000 2.678 316 F HA 0.397 4.924 4.527 0.000 0.000 0.305 316 F C 1.736 177.513 175.800 -0.037 0.000 1.090 316 F CA 0.578 58.564 58.000 -0.024 0.000 1.272 316 F CB 0.766 39.755 39.000 -0.018 0.000 1.060 316 F HN 0.332 nan 8.300 nan 0.000 0.576 317 G N -0.753 108.096 108.800 0.082 0.000 2.229 317 G HA2 -0.046 3.914 3.960 0.000 0.000 0.189 317 G HA3 -0.046 3.914 3.960 0.000 0.000 0.189 317 G C 1.255 176.162 174.900 0.012 0.000 1.000 317 G CA -0.142 44.969 45.100 0.018 0.000 0.663 317 G HN 0.908 nan 8.290 nan 0.000 0.493 318 G N -0.465 108.362 108.800 0.046 0.000 2.189 318 G HA2 0.124 4.084 3.960 0.000 0.000 0.267 318 G HA3 0.124 4.084 3.960 0.000 0.000 0.267 318 G C 1.581 176.484 174.900 0.005 0.000 0.975 318 G CA 1.250 46.376 45.100 0.044 0.000 0.644 318 G HN 2.088 nan 8.290 nan 0.000 0.537 319 G N -0.464 108.286 108.800 -0.082 0.000 2.683 319 G HA2 0.663 4.623 3.960 0.000 0.000 0.260 319 G HA3 0.663 4.623 3.960 0.000 0.000 0.260 319 G C 0.313 175.173 174.900 -0.067 0.000 1.238 319 G CA 1.125 46.082 45.100 -0.239 0.000 0.934 319 G HN 1.925 nan 8.290 nan 0.000 0.534 320 S N -1.759 113.921 115.700 -0.032 0.000 2.552 320 S HA 0.560 5.030 4.470 0.000 0.000 0.272 320 S C -1.558 173.103 174.600 0.102 0.000 1.150 320 S CA -0.808 57.453 58.200 0.103 0.000 0.849 320 S CB 1.794 65.134 63.200 0.234 0.000 1.113 320 S HN 1.274 nan 8.310 nan 0.000 0.458 321 L N 1.660 122.931 121.223 0.080 0.000 2.409 321 L HA 0.785 5.125 4.340 0.000 0.000 0.272 321 L C -0.823 176.073 176.870 0.044 0.000 0.980 321 L CA 0.228 55.112 54.840 0.073 0.000 0.826 321 L CB 2.102 44.208 42.059 0.079 0.000 1.268 321 L HN 0.917 nan 8.230 nan 0.000 0.407 322 T N 4.087 118.655 114.554 0.024 0.000 2.824 322 T HA 0.849 5.199 4.350 0.000 0.000 0.280 322 T C -0.432 174.251 174.700 -0.028 0.000 0.995 322 T CA -0.252 61.847 62.100 -0.001 0.000 1.009 322 T CB 1.517 70.376 68.868 -0.014 0.000 0.955 322 T HN 0.804 nan 8.240 nan 0.000 0.452 323 A N 3.195 126.001 122.820 -0.023 0.000 2.331 323 A HA 0.751 5.071 4.320 0.000 0.000 0.320 323 A C -0.550 177.003 177.584 -0.051 0.000 1.138 323 A CA -0.745 51.262 52.037 -0.049 0.000 0.790 323 A CB 0.592 19.633 19.000 0.068 0.000 1.206 323 A HN 0.856 nan 8.150 nan 0.000 0.470 324 L N 4.649 125.811 121.223 -0.101 0.000 2.435 324 L HA 0.329 4.669 4.340 0.000 0.000 0.253 324 L C -2.268 174.565 176.870 -0.062 0.000 1.087 324 L CA -1.738 53.059 54.840 -0.071 0.000 0.950 324 L CB 1.150 43.171 42.059 -0.063 0.000 1.304 324 L HN 0.504 nan 8.230 nan 0.000 0.453 325 P HA 0.164 nan 4.420 nan 0.000 0.274 325 P C -0.588 176.682 177.300 -0.050 0.000 1.237 325 P CA -0.198 62.921 63.100 0.032 0.000 0.793 325 P CB 2.077 33.766 31.700 -0.017 0.000 0.977 326 V N 3.352 123.231 119.914 -0.059 0.000 2.540 326 V HA 0.391 4.511 4.120 0.000 0.000 0.302 326 V C 0.194 176.243 176.094 -0.075 0.000 1.035 326 V CA -0.586 61.678 62.300 -0.060 0.000 0.873 326 V CB 1.831 33.634 31.823 -0.034 0.000 0.992 326 V HN 0.421 nan 8.190 nan 0.000 0.428 327 I N 3.369 123.899 120.570 -0.066 0.000 2.465 327 I HA 0.424 4.594 4.170 0.000 0.000 0.291 327 I C 0.027 176.138 176.117 -0.010 0.000 1.014 327 I CA -0.376 60.894 61.300 -0.050 0.000 1.093 327 I CB 2.093 40.058 38.000 -0.059 0.000 1.267 327 I HN 0.773 nan 8.210 nan 0.000 0.431 328 E N 5.109 125.315 120.200 0.011 0.000 2.130 328 E HA 0.307 4.657 4.350 0.000 0.000 0.284 328 E C -0.325 176.304 176.600 0.048 0.000 1.018 328 E CA -0.383 56.036 56.400 0.030 0.000 0.817 328 E CB 0.968 30.690 29.700 0.036 0.000 1.078 328 E HN 0.691 nan 8.360 nan 0.000 0.396 329 T N 2.022 116.610 114.554 0.057 0.000 2.847 329 T HA 0.286 4.636 4.350 0.000 0.000 0.279 329 T C 0.009 174.749 174.700 0.068 0.000 0.984 329 T CA -0.968 61.175 62.100 0.073 0.000 0.988 329 T CB 1.388 70.311 68.868 0.091 0.000 1.040 329 T HN 0.328 nan 8.240 nan 0.000 0.528 330 Q N 0.336 120.179 119.800 0.072 0.000 2.333 330 Q HA 0.539 4.879 4.340 0.000 0.000 0.265 330 Q C 0.395 176.430 176.000 0.060 0.000 0.989 330 Q CA -0.203 55.639 55.803 0.064 0.000 0.842 330 Q CB 1.335 30.115 28.738 0.070 0.000 1.262 330 Q HN 1.218 nan 8.270 nan 0.000 0.451 331 A N 2.279 125.130 122.820 0.052 0.000 2.704 331 A HA -0.167 4.153 4.320 0.000 0.000 0.299 331 A C 1.138 178.752 177.584 0.051 0.000 1.507 331 A CA 1.538 53.603 52.037 0.047 0.000 0.776 331 A CB -2.113 16.911 19.000 0.040 0.000 1.027 331 A HN 1.585 nan 8.150 nan 0.000 0.475 332 G N -1.311 107.525 108.800 0.060 0.000 2.155 332 G HA2 -0.219 3.741 3.960 0.000 0.000 0.257 332 G HA3 -0.219 3.741 3.960 0.000 0.000 0.257 332 G C -0.036 174.904 174.900 0.066 0.000 0.983 332 G CA 0.990 46.129 45.100 0.065 0.000 0.676 332 G HN 1.571 nan 8.290 nan 0.000 0.528 333 D N 0.744 121.186 120.400 0.070 0.000 2.470 333 D HA 0.400 5.040 4.640 0.000 0.000 0.226 333 D C 1.923 178.279 176.300 0.092 0.000 1.196 333 D CA 0.325 54.368 54.000 0.071 0.000 0.979 333 D CB 0.488 41.330 40.800 0.070 0.000 1.059 333 D HN 0.559 nan 8.370 nan 0.000 0.515 334 V N 0.989 120.962 119.914 0.099 0.000 2.809 334 V HA -0.077 4.043 4.120 0.000 0.000 0.256 334 V C 1.713 177.879 176.094 0.120 0.000 1.080 334 V CA 0.991 63.375 62.300 0.139 0.000 1.102 334 V CB -0.437 31.505 31.823 0.198 0.000 0.705 334 V HN 0.287 nan 8.190 nan 0.000 0.475 335 S N 1.111 116.866 115.700 0.091 0.000 2.603 335 S HA 0.387 4.857 4.470 0.000 0.000 0.229 335 S C 1.245 175.910 174.600 0.109 0.000 0.972 335 S CA 0.537 58.790 58.200 0.088 0.000 0.935 335 S CB -0.575 62.662 63.200 0.062 0.000 0.769 335 S HN 0.952 nan 8.310 nan 0.000 0.536 336 A N 0.808 123.699 122.820 0.119 0.000 2.448 336 A HA 0.277 4.597 4.320 0.000 0.000 0.239 336 A C 0.976 178.680 177.584 0.200 0.000 1.080 336 A CA -0.260 51.867 52.037 0.149 0.000 0.779 336 A CB -0.159 18.924 19.000 0.138 0.000 1.026 336 A HN 0.294 nan 8.150 nan 0.000 0.499 337 Y N 1.391 121.729 120.300 0.065 0.000 2.030 337 Y HA -0.253 4.297 4.550 0.000 0.000 0.274 337 Y C 1.928 177.843 175.900 0.025 0.000 1.153 337 Y CA 2.398 60.527 58.100 0.048 0.000 1.115 337 Y CB -0.274 38.221 38.460 0.058 0.000 0.969 337 Y HN 0.511 nan 8.280 nan 0.000 0.488 338 I N 0.325 120.824 120.570 -0.118 0.000 2.202 338 I HA -0.160 4.011 4.170 0.000 0.000 0.242 338 I C -0.376 175.711 176.117 -0.049 0.000 1.091 338 I CA 1.147 62.308 61.300 -0.232 0.000 1.368 338 I CB -2.849 35.004 38.000 -0.244 0.000 1.058 338 I HN 0.164 nan 8.210 nan 0.000 0.410 339 P HA -0.167 nan 4.420 nan 0.000 0.215 339 P C 1.867 179.210 177.300 0.072 0.000 1.157 339 P CA 2.600 65.729 63.100 0.049 0.000 0.874 339 P CB -0.297 31.455 31.700 0.087 0.000 0.790 340 T N -3.407 111.206 114.554 0.099 0.000 2.746 340 T HA -0.172 4.179 4.350 0.000 0.000 0.267 340 T C 1.725 176.499 174.700 0.123 0.000 1.039 340 T CA 1.455 63.627 62.100 0.120 0.000 1.142 340 T CB -1.269 67.683 68.868 0.140 0.000 0.866 340 T HN -0.032 nan 8.240 nan 0.000 0.444 341 N N 1.450 120.216 118.700 0.109 0.000 2.036 341 N HA -0.078 4.663 4.740 0.000 0.000 0.195 341 N C 1.962 177.579 175.510 0.178 0.000 1.037 341 N CA 1.442 54.610 53.050 0.198 0.000 0.855 341 N CB -0.904 37.663 38.487 0.134 0.000 1.033 341 N HN 0.367 nan 8.380 nan 0.000 0.423 342 V N 1.140 121.098 119.914 0.072 0.000 2.488 342 V HA -0.063 4.057 4.120 0.000 0.000 0.246 342 V C 2.219 178.321 176.094 0.013 0.000 1.046 342 V CA 0.767 63.067 62.300 0.001 0.000 1.053 342 V CB -0.357 31.410 31.823 -0.094 0.000 0.679 342 V HN 0.204 nan 8.190 nan 0.000 0.458 343 I N 1.361 121.955 120.570 0.039 0.000 2.208 343 I HA -0.270 3.900 4.170 0.000 0.000 0.245 343 I C 2.629 178.794 176.117 0.080 0.000 1.097 343 I CA 2.050 63.383 61.300 0.054 0.000 1.363 343 I CB -0.395 37.674 38.000 0.114 0.000 1.051 343 I HN 0.486 nan 8.210 nan 0.000 0.413 344 S N 0.218 115.988 115.700 0.116 0.000 2.481 344 S HA -0.006 4.464 4.470 0.000 0.000 0.231 344 S C 1.805 176.497 174.600 0.152 0.000 0.996 344 S CA 0.618 58.900 58.200 0.137 0.000 0.942 344 S CB -0.468 62.828 63.200 0.161 0.000 0.768 344 S HN 0.439 nan 8.310 nan 0.000 0.520 345 I N 1.921 122.568 120.570 0.129 0.000 2.628 345 I HA 0.018 4.188 4.170 0.000 0.000 0.255 345 I C 1.452 177.592 176.117 0.039 0.000 1.119 345 I CA 0.732 62.085 61.300 0.088 0.000 1.448 345 I CB -0.462 37.538 38.000 -0.000 0.000 1.133 345 I HN 0.383 nan 8.210 nan 0.000 0.438 346 T N -1.756 112.807 114.554 0.014 0.000 2.813 346 T HA 0.045 4.395 4.350 0.000 0.000 0.297 346 T C 0.680 175.384 174.700 0.008 0.000 1.036 346 T CA -0.484 61.612 62.100 -0.006 0.000 1.044 346 T CB 0.967 69.812 68.868 -0.037 0.000 0.993 346 T HN 0.044 nan 8.240 nan 0.000 0.535 347 D N 0.826 121.226 120.400 0.000 0.000 2.194 347 D HA 0.202 4.842 4.640 0.000 0.000 0.204 347 D C 1.089 177.394 176.300 0.008 0.000 0.964 347 D CA 1.096 55.101 54.000 0.008 0.000 0.846 347 D CB -0.066 40.737 40.800 0.004 0.000 0.962 347 D HN 0.839 nan 8.370 nan 0.000 0.490 348 G N -0.387 108.408 108.800 -0.009 0.000 2.606 348 G HA2 0.501 4.461 3.960 0.000 0.000 0.300 348 G HA3 0.501 4.461 3.960 0.000 0.000 0.300 348 G C -1.931 172.929 174.900 -0.067 0.000 1.360 348 G CA -0.664 44.428 45.100 -0.012 0.000 0.783 348 G HN -0.043 nan 8.290 nan 0.000 0.484 349 Q N -0.450 119.288 119.800 -0.104 0.000 2.353 349 Q HA 0.483 4.824 4.340 0.000 0.000 0.275 349 Q C -1.720 174.118 176.000 -0.269 0.000 1.029 349 Q CA -0.784 54.853 55.803 -0.276 0.000 0.848 349 Q CB 2.030 30.447 28.738 -0.535 0.000 1.390 349 Q HN 0.560 nan 8.270 nan 0.000 0.401 350 I N 2.398 122.809 120.570 -0.266 0.000 2.307 350 I HA 0.332 4.502 4.170 0.000 0.000 0.289 350 I C -0.728 175.274 176.117 -0.193 0.000 1.021 350 I CA -0.545 60.675 61.300 -0.133 0.000 1.224 350 I CB 0.372 38.337 38.000 -0.058 0.000 1.376 350 I HN 0.419 nan 8.210 nan 0.000 0.470 351 F N 6.884 126.851 119.950 0.028 0.000 2.411 351 F HA 0.447 4.974 4.527 0.000 0.000 0.355 351 F C 0.129 175.952 175.800 0.038 0.000 1.117 351 F CA -0.426 57.593 58.000 0.031 0.000 1.139 351 F CB 0.814 39.833 39.000 0.031 0.000 1.120 351 F HN 0.179 nan 8.300 nan 0.000 0.493 352 L N 3.776 125.119 121.223 0.200 0.000 2.325 352 L HA 0.580 4.920 4.340 0.000 0.000 0.278 352 L C -0.571 176.390 176.870 0.151 0.000 1.023 352 L CA -0.749 54.181 54.840 0.149 0.000 0.811 352 L CB 1.867 43.986 42.059 0.099 0.000 1.249 352 L HN 0.564 nan 8.230 nan 0.000 0.431 353 E N -0.235 120.050 120.200 0.141 0.000 2.272 353 E HA 0.190 4.541 4.350 0.000 0.000 0.269 353 E C 0.196 176.887 176.600 0.153 0.000 0.877 353 E CA -0.337 56.142 56.400 0.131 0.000 0.755 353 E CB 2.401 32.170 29.700 0.115 0.000 1.192 353 E HN 0.758 nan 8.360 nan 0.000 0.422 354 T N -0.674 113.968 114.554 0.147 0.000 2.684 354 T HA -0.272 4.078 4.350 0.000 0.000 0.267 354 T C 1.587 176.487 174.700 0.332 0.000 1.036 354 T CA 1.665 63.898 62.100 0.221 0.000 1.148 354 T CB -0.088 68.916 68.868 0.226 0.000 0.863 354 T HN 0.592 nan 8.240 nan 0.000 0.436 355 E N 0.976 121.315 120.200 0.232 0.000 2.070 355 E HA -0.169 4.181 4.350 0.000 0.000 0.197 355 E C 2.295 179.020 176.600 0.210 0.000 1.004 355 E CA 1.553 58.078 56.400 0.208 0.000 0.805 355 E CB -0.346 29.428 29.700 0.123 0.000 0.744 355 E HN 0.629 nan 8.360 nan 0.000 0.451 356 L N -0.174 121.151 121.223 0.170 0.000 2.017 356 L HA -0.151 4.189 4.340 0.000 0.000 0.208 356 L C 2.553 179.496 176.870 0.121 0.000 1.073 356 L CA 1.216 56.134 54.840 0.130 0.000 0.745 356 L CB -0.612 41.514 42.059 0.110 0.000 0.894 356 L HN 0.215 nan 8.230 nan 0.000 0.432 357 F N 0.199 120.141 119.950 -0.013 0.000 2.063 357 F HA -0.347 4.180 4.527 0.000 0.000 0.298 357 F C 2.346 178.039 175.800 -0.178 0.000 1.109 357 F CA 1.890 59.805 58.000 -0.143 0.000 1.212 357 F CB -0.357 38.478 39.000 -0.274 0.000 0.973 357 F HN -0.061 nan 8.300 nan 0.000 0.480 358 Y N -0.278 120.191 120.300 0.282 0.000 2.457 358 Y HA -0.055 4.495 4.550 0.000 0.000 0.292 358 Y C 2.184 178.119 175.900 0.059 0.000 1.125 358 Y CA 0.953 59.158 58.100 0.175 0.000 1.254 358 Y CB -0.356 38.213 38.460 0.182 0.000 1.012 358 Y HN -0.039 nan 8.280 nan 0.000 0.555 359 K N -0.510 119.994 120.400 0.173 0.000 2.439 359 K HA 0.003 4.323 4.320 0.000 0.000 0.197 359 K C 1.400 178.016 176.600 0.028 0.000 1.041 359 K CA 0.844 57.188 56.287 0.095 0.000 0.970 359 K CB -0.163 32.389 32.500 0.087 0.000 0.773 359 K HN 0.483 nan 8.250 nan 0.000 0.479 360 G N 0.683 109.457 108.800 -0.043 0.000 2.201 360 G HA2 -0.167 3.793 3.960 0.000 0.000 0.212 360 G HA3 -0.167 3.793 3.960 0.000 0.000 0.212 360 G C 0.029 174.855 174.900 -0.123 0.000 0.994 360 G CA -0.408 44.631 45.100 -0.102 0.000 0.644 360 G HN 0.106 nan 8.290 nan 0.000 0.508 361 I N 2.153 122.671 120.570 -0.086 0.000 2.372 361 I HA 0.356 4.526 4.170 0.000 0.000 0.298 361 I C 0.698 176.738 176.117 -0.129 0.000 1.137 361 I CA 0.381 61.643 61.300 -0.062 0.000 1.314 361 I CB -0.578 37.427 38.000 0.008 0.000 1.444 361 I HN 0.169 nan 8.210 nan 0.000 0.541 362 R N 7.333 127.733 120.500 -0.166 0.000 2.514 362 R HA 0.414 4.754 4.340 0.000 0.000 0.296 362 R C -2.584 173.654 176.300 -0.103 0.000 1.012 362 R CA -1.624 54.359 56.100 -0.196 0.000 0.897 362 R CB 2.358 32.422 30.300 -0.393 0.000 1.184 362 R HN 0.271 nan 8.270 nan 0.000 0.440 363 P HA -0.000 nan 4.420 nan 0.000 0.268 363 P C -0.234 177.081 177.300 0.025 0.000 1.204 363 P CA -0.082 63.015 63.100 -0.005 0.000 0.768 363 P CB 1.033 32.738 31.700 0.008 0.000 0.842 364 A N 4.460 127.332 122.820 0.085 0.000 2.426 364 A HA 0.151 4.471 4.320 0.000 0.000 0.247 364 A C 0.825 178.475 177.584 0.110 0.000 1.389 364 A CA -0.326 51.779 52.037 0.115 0.000 1.129 364 A CB -1.434 17.709 19.000 0.239 0.000 0.928 364 A HN 0.502 nan 8.150 nan 0.000 0.557 365 I N 0.985 121.606 120.570 0.086 0.000 2.556 365 I HA 0.000 4.170 4.170 0.000 0.000 0.284 365 I C 0.595 176.774 176.117 0.104 0.000 1.114 365 I CA -0.280 61.078 61.300 0.097 0.000 1.418 365 I CB 0.498 38.543 38.000 0.075 0.000 1.394 365 I HN 0.275 nan 8.210 nan 0.000 0.552 366 N N 6.511 125.291 118.700 0.133 0.000 2.482 366 N HA 0.081 4.821 4.740 0.000 0.000 0.242 366 N C 0.685 176.264 175.510 0.115 0.000 1.100 366 N CA 0.028 53.146 53.050 0.112 0.000 0.946 366 N CB 1.294 39.841 38.487 0.101 0.000 1.227 366 N HN 0.439 nan 8.380 nan 0.000 0.508 367 V N 3.577 123.546 119.914 0.091 0.000 2.407 367 V HA -0.148 3.972 4.120 0.000 0.000 0.248 367 V C 2.310 178.451 176.094 0.078 0.000 1.055 367 V CA 2.235 64.586 62.300 0.085 0.000 1.049 367 V CB -0.814 31.055 31.823 0.077 0.000 0.662 367 V HN 0.753 nan 8.190 nan 0.000 0.455 368 G N -0.354 108.482 108.800 0.061 0.000 2.440 368 G HA2 -0.208 3.752 3.960 0.000 0.000 0.218 368 G HA3 -0.208 3.752 3.960 0.000 0.000 0.218 368 G C 1.519 176.439 174.900 0.035 0.000 1.154 368 G CA 0.992 46.115 45.100 0.038 0.000 0.767 368 G HN 0.490 nan 8.290 nan 0.000 0.552 369 L N 0.483 121.727 121.223 0.034 0.000 2.354 369 L HA 0.159 4.499 4.340 0.000 0.000 0.212 369 L C 1.075 178.086 176.870 0.234 0.000 1.091 369 L CA -0.107 54.736 54.840 0.006 0.000 0.828 369 L CB -0.141 41.767 42.059 -0.253 0.000 0.973 369 L HN 0.011 nan 8.230 nan 0.000 0.461 370 S N 0.841 116.710 115.700 0.283 0.000 2.533 370 S HA 0.329 4.799 4.470 0.000 0.000 0.282 370 S C -0.123 174.577 174.600 0.166 0.000 1.304 370 S CA -0.407 57.964 58.200 0.285 0.000 1.063 370 S CB 1.149 64.459 63.200 0.183 0.000 0.881 370 S HN 0.129 nan 8.310 nan 0.000 0.493 371 V N 0.554 120.550 119.914 0.137 0.000 2.925 371 V HA 0.915 5.035 4.120 0.000 0.000 0.311 371 V C -0.263 175.859 176.094 0.047 0.000 1.104 371 V CA -0.694 61.660 62.300 0.089 0.000 0.954 371 V CB 1.951 33.835 31.823 0.103 0.000 1.022 371 V HN 0.656 nan 8.190 nan 0.000 0.427 372 S N 1.329 117.050 115.700 0.035 0.000 2.569 372 S HA 0.658 5.128 4.470 0.000 0.000 0.280 372 S C -0.573 174.039 174.600 0.019 0.000 1.111 372 S CA -0.897 57.314 58.200 0.018 0.000 0.887 372 S CB 2.012 65.220 63.200 0.012 0.000 1.095 372 S HN 1.050 nan 8.310 nan 0.000 0.476 373 R N 2.736 123.244 120.500 0.013 0.000 2.347 373 R HA 0.332 4.672 4.340 0.000 0.000 0.304 373 R C 1.401 177.706 176.300 0.009 0.000 1.072 373 R CA 0.493 56.601 56.100 0.013 0.000 0.980 373 R CB 0.263 30.570 30.300 0.011 0.000 0.986 373 R HN 0.623 nan 8.270 nan 0.000 0.448 374 V N 4.416 124.338 119.914 0.012 0.000 2.467 374 V HA -0.376 3.744 4.120 0.000 0.000 0.213 374 V C 0.874 176.971 176.094 0.005 0.000 0.950 374 V CA 2.766 65.072 62.300 0.010 0.000 1.104 374 V CB -0.897 30.931 31.823 0.009 0.000 0.936 374 V HN 1.193 nan 8.190 nan 0.000 0.505 375 G N -2.582 106.218 108.800 0.001 0.000 2.481 375 G HA2 0.320 4.280 3.960 0.000 0.000 0.234 375 G HA3 0.320 4.280 3.960 0.000 0.000 0.234 375 G C 0.197 175.092 174.900 -0.008 0.000 2.038 375 G CA 0.595 45.692 45.100 -0.005 0.000 0.899 375 G HN 1.866 nan 8.290 nan 0.000 0.543 376 S N -1.573 114.122 115.700 -0.008 0.000 3.119 376 S HA -0.124 4.346 4.470 0.000 0.000 0.298 376 S C 2.694 177.289 174.600 -0.009 0.000 1.294 376 S CA 2.326 60.519 58.200 -0.011 0.000 1.091 376 S CB -1.409 61.779 63.200 -0.021 0.000 1.271 376 S HN 2.760 nan 8.310 nan 0.000 0.693 377 A N -0.734 122.083 122.820 -0.005 0.000 2.068 377 A HA -0.217 4.104 4.320 0.000 0.000 0.231 377 A C 1.032 178.612 177.584 -0.007 0.000 0.430 377 A CA 1.907 53.942 52.037 -0.004 0.000 1.105 377 A CB -2.217 16.781 19.000 -0.003 0.000 1.437 377 A HN 2.354 nan 8.150 nan 0.000 0.706 378 A N 0.524 123.336 122.820 -0.015 0.000 2.544 378 A HA 0.497 4.817 4.320 0.000 0.000 0.301 378 A C 1.033 178.601 177.584 -0.027 0.000 1.368 378 A CA 0.926 52.950 52.037 -0.022 0.000 1.045 378 A CB -0.190 18.790 19.000 -0.033 0.000 1.129 378 A HN 0.997 nan 8.150 nan 0.000 0.540 379 Q N 1.929 121.718 119.800 -0.018 0.000 2.481 379 Q HA 0.202 4.543 4.340 0.000 0.000 0.219 379 Q C 0.145 176.136 176.000 -0.015 0.000 0.920 379 Q CA 1.287 57.079 55.803 -0.019 0.000 0.915 379 Q CB 0.451 29.185 28.738 -0.006 0.000 1.057 379 Q HN 0.514 nan 8.270 nan 0.000 0.581 380 T N -1.348 113.203 114.554 -0.004 0.000 2.659 380 T HA 0.306 4.656 4.350 0.000 0.000 0.289 380 T C -0.014 174.690 174.700 0.006 0.000 1.480 380 T CA -0.417 61.683 62.100 0.001 0.000 1.039 380 T CB 1.224 70.100 68.868 0.013 0.000 1.886 380 T HN 0.142 nan 8.240 nan 0.000 0.444 381 R N -0.730 119.778 120.500 0.013 0.000 2.562 381 R HA 0.522 4.862 4.340 0.000 0.000 0.191 381 R C 2.048 178.362 176.300 0.025 0.000 0.835 381 R CA 0.845 56.954 56.100 0.015 0.000 1.036 381 R CB -0.224 30.083 30.300 0.012 0.000 1.437 381 R HN 0.540 nan 8.270 nan 0.000 0.654 382 A N 0.806 123.644 122.820 0.030 0.000 2.067 382 A HA -0.067 4.253 4.320 0.000 0.000 0.217 382 A C 1.865 179.480 177.584 0.051 0.000 1.156 382 A CA 0.918 52.980 52.037 0.043 0.000 0.683 382 A CB -0.207 18.819 19.000 0.043 0.000 0.808 382 A HN 0.350 nan 8.150 nan 0.000 0.455 383 M N 0.111 119.736 119.600 0.041 0.000 2.156 383 M HA 0.025 4.505 4.480 0.000 0.000 0.264 383 M C 1.814 178.135 176.300 0.036 0.000 1.067 383 M CA 1.917 57.242 55.300 0.042 0.000 1.131 383 M CB -0.463 32.158 32.600 0.035 0.000 1.368 383 M HN 0.325 nan 8.290 nan 0.000 0.416 384 K N -0.509 119.908 120.400 0.027 0.000 2.103 384 K HA -0.208 4.112 4.320 0.000 0.000 0.207 384 K C 1.992 178.606 176.600 0.024 0.000 1.048 384 K CA 1.675 57.975 56.287 0.022 0.000 0.930 384 K CB -0.066 32.444 32.500 0.016 0.000 0.716 384 K HN 0.564 nan 8.250 nan 0.000 0.444 385 Q N -0.081 119.738 119.800 0.031 0.000 1.948 385 Q HA -0.171 4.169 4.340 0.000 0.000 0.205 385 Q C 2.213 178.231 176.000 0.030 0.000 0.992 385 Q CA 2.246 58.068 55.803 0.033 0.000 0.849 385 Q CB -0.242 28.525 28.738 0.048 0.000 0.918 385 Q HN 0.369 nan 8.270 nan 0.000 0.421 386 V N -2.098 117.845 119.914 0.048 0.000 2.548 386 V HA -0.033 4.087 4.120 0.000 0.000 0.249 386 V C 2.010 178.119 176.094 0.026 0.000 1.055 386 V CA 1.697 64.023 62.300 0.043 0.000 1.065 386 V CB -0.997 30.882 31.823 0.094 0.000 0.681 386 V HN 0.315 nan 8.190 nan 0.000 0.462 387 A N 1.075 123.913 122.820 0.031 0.000 2.067 387 A HA 0.231 4.551 4.320 0.000 0.000 0.217 387 A C 2.296 179.890 177.584 0.016 0.000 1.156 387 A CA 1.305 53.357 52.037 0.024 0.000 0.683 387 A CB -1.186 17.831 19.000 0.028 0.000 0.808 387 A HN 0.669 nan 8.150 nan 0.000 0.455 388 G N 0.142 108.950 108.800 0.014 0.000 2.421 388 G HA2 -0.227 3.733 3.960 0.000 0.000 0.216 388 G HA3 -0.227 3.733 3.960 0.000 0.000 0.216 388 G C 1.745 176.646 174.900 0.002 0.000 1.171 388 G CA 2.007 47.113 45.100 0.009 0.000 0.775 388 G HN 0.629 nan 8.290 nan 0.000 0.543 389 T N -1.466 113.084 114.554 -0.007 0.000 2.857 389 T HA 0.016 4.366 4.350 0.000 0.000 0.266 389 T C 2.350 177.038 174.700 -0.020 0.000 1.048 389 T CA 1.303 63.391 62.100 -0.020 0.000 1.139 389 T CB -0.193 68.650 68.868 -0.041 0.000 0.874 389 T HN 0.212 nan 8.240 nan 0.000 0.455 390 M N 1.024 120.615 119.600 -0.014 0.000 2.117 390 M HA -0.031 4.449 4.480 0.000 0.000 0.262 390 M C 2.471 178.774 176.300 0.005 0.000 1.065 390 M CA 1.731 57.024 55.300 -0.012 0.000 1.114 390 M CB -0.219 32.378 32.600 -0.004 0.000 1.361 390 M HN 0.234 nan 8.290 nan 0.000 0.408 391 K N 0.453 120.861 120.400 0.013 0.000 2.032 391 K HA -0.175 4.145 4.320 0.000 0.000 0.209 391 K C 1.763 178.378 176.600 0.025 0.000 1.048 391 K CA 1.704 58.005 56.287 0.023 0.000 0.927 391 K CB -0.303 32.210 32.500 0.022 0.000 0.712 391 K HN 0.434 nan 8.250 nan 0.000 0.441 392 L N 0.498 121.730 121.223 0.015 0.000 2.017 392 L HA -0.182 4.158 4.340 0.000 0.000 0.208 392 L C 2.484 179.367 176.870 0.022 0.000 1.073 392 L CA 1.563 56.412 54.840 0.015 0.000 0.745 392 L CB -0.409 41.652 42.059 0.004 0.000 0.894 392 L HN 0.299 nan 8.230 nan 0.000 0.432 393 E N 0.045 120.252 120.200 0.012 0.000 2.152 393 E HA -0.139 4.211 4.350 0.000 0.000 0.192 393 E C 2.333 178.967 176.600 0.056 0.000 0.983 393 E CA 0.700 57.109 56.400 0.014 0.000 0.818 393 E CB 0.086 29.770 29.700 -0.026 0.000 0.758 393 E HN 0.397 nan 8.360 nan 0.000 0.467 394 L N -0.336 120.924 121.223 0.062 0.000 2.209 394 L HA 0.001 4.341 4.340 0.000 0.000 0.207 394 L C 2.371 179.335 176.870 0.157 0.000 1.094 394 L CA 0.611 55.529 54.840 0.130 0.000 0.790 394 L CB -0.213 41.901 42.059 0.092 0.000 0.932 394 L HN 0.168 nan 8.230 nan 0.000 0.447 395 A N -0.594 122.280 122.820 0.090 0.000 1.902 395 A HA -0.208 4.112 4.320 0.000 0.000 0.217 395 A C 2.220 179.841 177.584 0.061 0.000 1.181 395 A CA 1.206 53.282 52.037 0.065 0.000 0.623 395 A CB -0.327 18.698 19.000 0.042 0.000 0.818 395 A HN 0.361 nan 8.150 nan 0.000 0.443 396 Q N -1.688 118.154 119.800 0.070 0.000 2.084 396 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 396 Q C 1.976 178.033 176.000 0.095 0.000 0.978 396 Q CA 1.795 57.637 55.803 0.065 0.000 0.844 396 Q CB -0.478 28.294 28.738 0.056 0.000 0.898 396 Q HN 0.857 nan 8.270 nan 0.000 0.426 397 Y N 1.576 121.882 120.300 0.009 0.000 2.097 397 Y HA -0.237 4.313 4.550 0.000 0.000 0.282 397 Y C 2.477 178.393 175.900 0.027 0.000 1.152 397 Y CA 1.917 60.027 58.100 0.016 0.000 1.136 397 Y CB -0.313 38.152 38.460 0.008 0.000 0.975 397 Y HN -0.051 nan 8.280 nan 0.000 0.498 398 R N 0.469 120.907 120.500 -0.104 0.000 2.139 398 R HA -0.216 4.124 4.340 0.000 0.000 0.243 398 R C 2.042 178.242 176.300 -0.167 0.000 1.145 398 R CA 2.028 58.020 56.100 -0.180 0.000 0.976 398 R CB -0.233 30.053 30.300 -0.023 0.000 0.866 398 R HN 0.559 nan 8.270 nan 0.000 0.449 399 E N -1.043 119.102 120.200 -0.093 0.000 2.268 399 E HA -0.115 4.235 4.350 0.000 0.000 0.195 399 E C 1.201 177.767 176.600 -0.057 0.000 0.995 399 E CA 1.082 57.447 56.400 -0.058 0.000 0.836 399 E CB 0.410 30.101 29.700 -0.015 0.000 0.763 399 E HN 0.200 nan 8.360 nan 0.000 0.491 400 V N -0.466 119.395 119.914 -0.089 0.000 3.562 400 V HA 0.158 4.278 4.120 0.000 0.000 0.270 400 V C 1.857 177.918 176.094 -0.055 0.000 1.418 400 V CA 0.655 62.967 62.300 0.020 0.000 1.033 400 V CB 0.590 32.469 31.823 0.093 0.000 0.820 400 V HN 0.191 nan 8.190 nan 0.000 0.441 401 A N 1.378 123.968 122.820 -0.384 0.000 1.954 401 A HA -0.318 4.002 4.320 0.000 0.000 0.222 401 A C 2.286 179.770 177.584 -0.168 0.000 1.199 401 A CA 2.559 54.282 52.037 -0.524 0.000 0.657 401 A CB -0.735 17.832 19.000 -0.721 0.000 0.823 401 A HN 0.751 nan 8.150 nan 0.000 0.463 402 A N -2.097 120.631 122.820 -0.153 0.000 2.186 402 A HA 0.020 4.340 4.320 0.000 0.000 0.219 402 A C 1.806 179.299 177.584 -0.151 0.000 1.159 402 A CA 1.264 53.209 52.037 -0.153 0.000 0.680 402 A CB -0.783 18.092 19.000 -0.210 0.000 0.787 402 A HN 0.549 nan 8.150 nan 0.000 0.467 403 F N -0.255 119.659 119.950 -0.059 0.000 2.206 403 F HA 0.232 4.759 4.527 0.000 0.000 0.298 403 F C 1.768 177.562 175.800 -0.010 0.000 1.090 403 F CA 0.659 58.642 58.000 -0.029 0.000 1.323 403 F CB -0.294 38.693 39.000 -0.023 0.000 1.028 403 F HN 0.405 nan 8.300 nan 0.000 0.492 411 D N 0.460 120.850 120.400 -0.016 0.000 2.498 411 D HA 0.650 5.290 4.640 0.000 0.000 0.247 411 D C 0.115 176.360 176.300 -0.092 0.000 1.070 411 D CA 0.073 54.019 54.000 -0.090 0.000 0.842 411 D CB 2.267 42.999 40.800 -0.112 0.000 1.361 411 D HN 0.619 nan 8.370 nan 0.000 0.484 412 A N 1.121 123.865 122.820 -0.126 0.000 1.919 412 A HA 0.480 4.800 4.320 0.000 0.000 0.211 412 A C 1.228 178.756 177.584 -0.092 0.000 1.310 412 A CA 1.085 53.068 52.037 -0.090 0.000 0.651 412 A CB 0.026 18.980 19.000 -0.076 0.000 0.996 412 A HN 0.532 nan 8.150 nan 0.000 0.479 413 A N -1.809 120.939 122.820 -0.121 0.000 2.606 413 A HA 0.297 4.617 4.320 0.000 0.000 0.230 413 A C 1.627 179.129 177.584 -0.135 0.000 1.279 413 A CA 1.210 53.186 52.037 -0.102 0.000 1.010 413 A CB -0.734 18.219 19.000 -0.077 0.000 1.271 413 A HN 0.536 nan 8.150 nan 0.000 0.584 414 T N -0.533 113.884 114.554 -0.227 0.000 3.118 414 T HA -0.151 4.199 4.350 0.000 0.000 0.269 414 T C 1.455 176.038 174.700 -0.194 0.000 1.166 414 T CA 1.829 63.740 62.100 -0.316 0.000 1.073 414 T CB -0.462 67.945 68.868 -0.770 0.000 0.884 414 T HN 0.554 nan 8.240 nan 0.000 0.550 415 Q N 0.035 119.758 119.800 -0.129 0.000 2.302 415 Q HA -0.052 4.288 4.340 0.000 0.000 0.202 415 Q C 2.399 178.375 176.000 -0.039 0.000 0.936 415 Q CA 1.132 56.895 55.803 -0.066 0.000 0.886 415 Q CB -0.010 28.694 28.738 -0.056 0.000 0.986 415 Q HN 0.820 nan 8.270 nan 0.000 0.487 416 Q N 0.506 120.278 119.800 -0.047 0.000 2.230 416 Q HA -0.070 4.270 4.340 0.000 0.000 0.202 416 Q C 1.681 177.670 176.000 -0.017 0.000 0.963 416 Q CA 1.157 56.939 55.803 -0.035 0.000 0.866 416 Q CB -0.472 28.242 28.738 -0.040 0.000 0.931 416 Q HN 0.292 nan 8.270 nan 0.000 0.452 417 L N -0.770 120.444 121.223 -0.015 0.000 2.291 417 L HA -0.021 4.319 4.340 0.000 0.000 0.214 417 L C 1.452 178.383 176.870 0.101 0.000 1.120 417 L CA 0.331 55.184 54.840 0.023 0.000 0.799 417 L CB -0.188 41.870 42.059 -0.002 0.000 0.925 417 L HN 0.232 nan 8.230 nan 0.000 0.446 418 L N -1.487 119.794 121.223 0.097 0.000 2.408 418 L HA 0.080 4.420 4.340 0.000 0.000 0.215 418 L C 2.498 179.422 176.870 0.091 0.000 1.081 418 L CA 0.956 55.921 54.840 0.209 0.000 0.840 418 L CB -0.194 41.966 42.059 0.168 0.000 1.002 418 L HN 0.007 nan 8.230 nan 0.000 0.468 419 S N -0.101 115.605 115.700 0.009 0.000 2.392 419 S HA -0.302 4.168 4.470 0.000 0.000 0.225 419 S C 2.096 176.629 174.600 -0.112 0.000 1.041 419 S CA 1.897 60.066 58.200 -0.050 0.000 1.100 419 S CB -0.280 62.888 63.200 -0.053 0.000 1.029 419 S HN 0.289 nan 8.310 nan 0.000 0.424 420 R N 1.241 121.673 120.500 -0.114 0.000 2.080 420 R HA -0.055 4.285 4.340 0.000 0.000 0.236 420 R C 2.378 178.527 176.300 -0.251 0.000 1.137 420 R CA 1.990 57.997 56.100 -0.154 0.000 0.943 420 R CB -1.326 28.903 30.300 -0.118 0.000 0.846 420 R HN 0.412 nan 8.270 nan 0.000 0.431 421 G N -0.551 108.031 108.800 -0.364 0.000 2.469 421 G HA2 -0.235 3.725 3.960 0.000 0.000 0.219 421 G HA3 -0.235 3.725 3.960 0.000 0.000 0.219 421 G C 1.463 175.734 174.900 -1.049 0.000 1.150 421 G CA 1.133 45.709 45.100 -0.873 0.000 0.763 421 G HN 0.267 nan 8.290 nan 0.000 0.561 422 V N 1.028 120.504 119.914 -0.731 0.000 2.343 422 V HA -0.147 3.973 4.120 0.000 0.000 0.247 422 V C 3.013 178.967 176.094 -0.233 0.000 1.051 422 V CA 1.798 63.877 62.300 -0.369 0.000 1.036 422 V CB -0.391 31.360 31.823 -0.120 0.000 0.654 422 V HN 0.264 nan 8.190 nan 0.000 0.451 423 R N 0.106 120.481 120.500 -0.208 0.000 2.073 423 R HA -0.076 4.264 4.340 0.000 0.000 0.234 423 R C 2.218 178.433 176.300 -0.143 0.000 1.134 423 R CA 1.382 57.389 56.100 -0.155 0.000 0.952 423 R CB -1.083 29.124 30.300 -0.155 0.000 0.850 423 R HN 0.435 nan 8.270 nan 0.000 0.433 424 L N 0.418 121.533 121.223 -0.179 0.000 2.083 424 L HA -0.130 4.210 4.340 0.000 0.000 0.209 424 L C 2.317 179.126 176.870 -0.101 0.000 1.083 424 L CA 1.471 56.233 54.840 -0.130 0.000 0.752 424 L CB -0.817 41.158 42.059 -0.140 0.000 0.899 424 L HN 0.188 nan 8.230 nan 0.000 0.433 425 T N -0.862 113.607 114.554 -0.142 0.000 2.788 425 T HA -0.141 4.209 4.350 0.000 0.000 0.268 425 T C 1.758 176.437 174.700 -0.036 0.000 1.044 425 T CA 1.096 63.154 62.100 -0.069 0.000 1.139 425 T CB -0.097 68.735 68.868 -0.060 0.000 0.867 425 T HN 0.301 nan 8.240 nan 0.000 0.454 426 E N 1.170 121.341 120.200 -0.048 0.000 2.150 426 E HA 0.042 4.393 4.350 0.000 0.000 0.193 426 E C 2.138 178.737 176.600 -0.002 0.000 0.985 426 E CA 0.607 56.994 56.400 -0.022 0.000 0.814 426 E CB -0.360 29.325 29.700 -0.025 0.000 0.752 426 E HN 0.479 nan 8.360 nan 0.000 0.466 427 L N 0.296 121.516 121.223 -0.005 0.000 2.465 427 L HA -0.023 4.317 4.340 0.000 0.000 0.224 427 L C 2.068 178.954 176.870 0.026 0.000 1.145 427 L CA 0.343 55.197 54.840 0.024 0.000 0.834 427 L CB -0.123 41.950 42.059 0.023 0.000 0.944 427 L HN 0.029 nan 8.230 nan 0.000 0.451 428 L N -0.966 120.263 121.223 0.011 0.000 2.585 428 L HA 0.079 4.419 4.340 0.000 0.000 0.226 428 L C 0.756 177.630 176.870 0.006 0.000 1.113 428 L CA 0.015 54.863 54.840 0.013 0.000 0.876 428 L CB -0.098 41.969 42.059 0.014 0.000 1.072 428 L HN 0.096 nan 8.230 nan 0.000 0.468 429 K N 1.427 121.827 120.400 -0.001 0.000 2.382 429 K HA 0.206 4.527 4.320 0.000 0.000 0.275 429 K C -0.162 176.431 176.600 -0.012 0.000 1.009 429 K CA 0.350 56.626 56.287 -0.017 0.000 0.970 429 K CB 0.702 33.188 32.500 -0.023 0.000 0.934 429 K HN -0.016 nan 8.250 nan 0.000 0.479 430 Q N 0.581 120.362 119.800 -0.033 0.000 2.352 430 Q HA 0.296 4.636 4.340 0.000 0.000 0.270 430 Q C -0.720 175.243 176.000 -0.061 0.000 1.006 430 Q CA -0.581 55.203 55.803 -0.031 0.000 0.880 430 Q CB 1.751 30.475 28.738 -0.023 0.000 1.392 430 Q HN 0.804 nan 8.270 nan 0.000 0.401 431 G N 1.638 110.404 108.800 -0.057 0.000 2.653 431 G HA2 0.183 4.143 3.960 0.000 0.000 0.265 431 G HA3 0.183 4.143 3.960 0.000 0.000 0.265 431 G C -0.551 174.267 174.900 -0.136 0.000 1.237 431 G CA -0.178 44.871 45.100 -0.085 0.000 0.946 431 G HN 0.584 nan 8.290 nan 0.000 0.522 432 Q N -1.445 118.220 119.800 -0.226 0.000 2.214 432 Q HA 0.347 4.687 4.340 0.000 0.000 0.251 432 Q C -0.482 175.301 176.000 -0.361 0.000 0.936 432 Q CA -0.554 54.951 55.803 -0.498 0.000 0.894 432 Q CB 1.179 29.332 28.738 -0.975 0.000 1.252 432 Q HN 0.647 nan 8.270 nan 0.000 0.448 433 Y N -1.274 119.023 120.300 -0.006 0.000 4.753 433 Y HA -0.270 4.280 4.550 0.000 0.000 0.232 433 Y C 0.149 176.040 175.900 -0.016 0.000 1.029 433 Y CA 0.251 58.343 58.100 -0.013 0.000 1.996 433 Y CB -1.638 36.811 38.460 -0.018 0.000 1.602 433 Y HN 0.314 nan 8.280 nan 0.000 0.621 434 S N 1.129 116.866 115.700 0.060 0.000 2.062 434 S HA 0.265 4.735 4.470 0.000 0.000 0.163 434 S C -2.164 172.439 174.600 0.006 0.000 1.612 434 S CA -0.967 57.251 58.200 0.031 0.000 1.251 434 S CB 0.792 64.002 63.200 0.017 0.000 1.174 434 S HN 0.080 nan 8.310 nan 0.000 0.428 435 P HA 0.250 nan 4.420 nan 0.000 0.271 435 P C -0.611 176.679 177.300 -0.017 0.000 1.218 435 P CA -0.243 62.857 63.100 -0.001 0.000 0.780 435 P CB 0.555 32.261 31.700 0.009 0.000 0.901 436 M N 1.320 120.914 119.600 -0.011 0.000 2.508 436 M HA 0.530 5.010 4.480 0.000 0.000 0.327 436 M C 0.463 176.751 176.300 -0.019 0.000 1.160 436 M CA -0.934 54.355 55.300 -0.017 0.000 0.980 436 M CB 2.050 34.648 32.600 -0.002 0.000 1.693 436 M HN 0.326 nan 8.290 nan 0.000 0.452 437 A N 1.504 124.302 122.820 -0.037 0.000 2.466 437 A HA 0.163 4.483 4.320 0.000 0.000 0.238 437 A C 0.969 178.559 177.584 0.010 0.000 1.074 437 A CA -0.265 51.755 52.037 -0.029 0.000 0.774 437 A CB 0.061 19.030 19.000 -0.052 0.000 1.015 437 A HN 0.956 nan 8.150 nan 0.000 0.498 438 I N 0.523 121.115 120.570 0.037 0.000 2.264 438 I HA -0.215 3.955 4.170 0.000 0.000 0.248 438 I C 2.551 178.690 176.117 0.035 0.000 1.111 438 I CA 2.237 63.565 61.300 0.046 0.000 1.382 438 I CB -0.233 37.803 38.000 0.060 0.000 1.060 438 I HN 0.859 nan 8.210 nan 0.000 0.418 439 E N 0.304 120.517 120.200 0.023 0.000 2.150 439 E HA -0.257 4.093 4.350 0.000 0.000 0.193 439 E C 1.772 178.380 176.600 0.013 0.000 0.985 439 E CA 1.434 57.843 56.400 0.016 0.000 0.814 439 E CB -0.668 29.033 29.700 0.001 0.000 0.752 439 E HN 0.620 nan 8.360 nan 0.000 0.466 440 E N 0.955 121.156 120.200 0.002 0.000 2.072 440 E HA -0.153 4.197 4.350 0.000 0.000 0.191 440 E C 2.325 178.947 176.600 0.037 0.000 0.985 440 E CA 1.148 57.547 56.400 -0.002 0.000 0.801 440 E CB -0.061 29.624 29.700 -0.025 0.000 0.750 440 E HN 0.386 nan 8.360 nan 0.000 0.452 441 Q N 0.301 120.126 119.800 0.043 0.000 2.084 441 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 441 Q C 2.385 178.438 176.000 0.088 0.000 0.978 441 Q CA 1.304 57.144 55.803 0.062 0.000 0.844 441 Q CB -0.033 28.735 28.738 0.050 0.000 0.898 441 Q HN 0.143 nan 8.270 nan 0.000 0.426 442 V N 1.058 121.023 119.914 0.084 0.000 2.295 442 V HA -0.297 3.823 4.120 0.000 0.000 0.246 442 V C 2.293 178.484 176.094 0.162 0.000 1.049 442 V CA 1.864 64.231 62.300 0.111 0.000 1.024 442 V CB -1.015 30.861 31.823 0.087 0.000 0.648 442 V HN 0.417 nan 8.190 nan 0.000 0.447 443 A N 0.400 123.299 122.820 0.131 0.000 1.940 443 A HA -0.161 4.159 4.320 0.000 0.000 0.219 443 A C 2.379 180.161 177.584 0.330 0.000 1.176 443 A CA 2.410 54.550 52.037 0.172 0.000 0.631 443 A CB -0.686 18.374 19.000 0.099 0.000 0.814 443 A HN 0.613 nan 8.150 nan 0.000 0.446 444 V N -2.202 117.884 119.914 0.287 0.000 2.346 444 V HA -0.107 4.013 4.120 0.000 0.000 0.244 444 V C 2.242 178.469 176.094 0.222 0.000 1.037 444 V CA 1.517 64.000 62.300 0.306 0.000 1.029 444 V CB -0.974 30.996 31.823 0.245 0.000 0.663 444 V HN 0.438 nan 8.190 nan 0.000 0.454 445 I N -0.231 120.444 120.570 0.176 0.000 2.208 445 I HA -0.259 3.911 4.170 0.000 0.000 0.245 445 I C 2.599 178.805 176.117 0.148 0.000 1.097 445 I CA 2.662 64.037 61.300 0.126 0.000 1.363 445 I CB -0.508 37.549 38.000 0.096 0.000 1.051 445 I HN 0.429 nan 8.210 nan 0.000 0.413 446 Y N 1.693 122.041 120.300 0.080 0.000 2.081 446 Y HA -0.399 4.151 4.550 0.000 0.000 0.280 446 Y C 2.587 178.545 175.900 0.097 0.000 1.163 446 Y CA 1.927 60.078 58.100 0.086 0.000 1.135 446 Y CB -0.339 38.191 38.460 0.116 0.000 0.970 446 Y HN 0.150 nan 8.280 nan 0.000 0.498 447 A N 0.137 123.205 122.820 0.413 0.000 1.948 447 A HA -0.203 4.117 4.320 0.000 0.000 0.220 447 A C 2.400 180.031 177.584 0.078 0.000 1.177 447 A CA 2.040 54.244 52.037 0.277 0.000 0.636 447 A CB -1.747 17.298 19.000 0.075 0.000 0.815 447 A HN 0.661 nan 8.150 nan 0.000 0.449 448 G N -1.203 107.603 108.800 0.010 0.000 2.395 448 G HA2 -0.006 3.954 3.960 0.000 0.000 0.214 448 G HA3 -0.006 3.954 3.960 0.000 0.000 0.214 448 G C 1.497 176.317 174.900 -0.133 0.000 1.177 448 G CA 0.962 46.017 45.100 -0.076 0.000 0.794 448 G HN 0.298 nan 8.290 nan 0.000 0.532 449 V N 1.020 120.857 119.914 -0.129 0.000 2.490 449 V HA -0.047 4.073 4.120 0.000 0.000 0.250 449 V C 2.432 178.355 176.094 -0.286 0.000 1.061 449 V CA 1.231 63.425 62.300 -0.176 0.000 1.064 449 V CB -0.290 31.454 31.823 -0.132 0.000 0.670 449 V HN 0.210 nan 8.190 nan 0.000 0.461 450 R N 0.180 120.430 120.500 -0.416 0.000 2.335 450 R HA 0.221 4.561 4.340 0.000 0.000 0.223 450 R C 1.529 177.365 176.300 -0.773 0.000 0.940 450 R CA 0.619 56.357 56.100 -0.603 0.000 1.086 450 R CB -0.659 29.192 30.300 -0.747 0.000 1.073 450 R HN 0.543 nan 8.270 nan 0.000 0.504 451 G N 0.913 109.423 108.800 -0.483 0.000 2.198 451 G HA2 -0.330 3.630 3.960 0.000 0.000 0.260 451 G HA3 -0.330 3.630 3.960 0.000 0.000 0.260 451 G C 0.410 175.086 174.900 -0.373 0.000 1.025 451 G CA 0.275 45.143 45.100 -0.387 0.000 0.769 451 G HN 0.510 nan 8.290 nan 0.000 0.507 452 Y N -0.843 119.380 120.300 -0.128 0.000 2.529 452 Y HA 0.394 4.944 4.550 0.000 0.000 0.290 452 Y C 2.305 178.094 175.900 -0.185 0.000 1.177 452 Y CA 0.443 58.472 58.100 -0.118 0.000 1.305 452 Y CB 0.349 38.765 38.460 -0.073 0.000 1.047 452 Y HN 0.369 nan 8.280 nan 0.000 0.522 453 L N -0.799 120.353 121.223 -0.118 0.000 2.906 453 L HA 0.121 4.461 4.340 0.000 0.000 0.255 453 L C 0.681 177.453 176.870 -0.163 0.000 1.166 453 L CA -0.061 54.645 54.840 -0.224 0.000 0.977 453 L CB 0.236 42.093 42.059 -0.336 0.000 1.313 453 L HN 0.036 nan 8.230 nan 0.000 0.549 454 D N 1.214 121.537 120.400 -0.127 0.000 2.309 454 D HA -0.142 4.498 4.640 0.000 0.000 0.212 454 D C 1.656 177.906 176.300 -0.084 0.000 0.968 454 D CA 1.300 55.235 54.000 -0.109 0.000 0.882 454 D CB 0.262 40.997 40.800 -0.108 0.000 0.918 454 D HN 0.271 nan 8.370 nan 0.000 0.503 455 K N -0.596 119.760 120.400 -0.075 0.000 2.374 455 K HA 0.130 4.450 4.320 0.000 0.000 0.202 455 K C 0.212 176.778 176.600 -0.057 0.000 1.040 455 K CA -0.442 55.813 56.287 -0.054 0.000 1.085 455 K CB 0.918 33.397 32.500 -0.035 0.000 0.873 455 K HN -0.019 nan 8.250 nan 0.000 0.539 456 L N 2.586 123.756 121.223 -0.088 0.000 2.380 456 L HA 0.085 4.425 4.340 0.000 0.000 0.273 456 L C -0.451 176.377 176.870 -0.071 0.000 1.138 456 L CA 0.029 54.816 54.840 -0.089 0.000 0.832 456 L CB 0.599 42.558 42.059 -0.166 0.000 1.124 456 L HN 0.061 nan 8.230 nan 0.000 0.454 457 E N 6.588 126.765 120.200 -0.039 0.000 2.606 457 E HA -0.068 4.282 4.350 0.000 0.000 0.248 457 E C -1.685 174.898 176.600 -0.028 0.000 1.005 457 E CA -0.671 55.715 56.400 -0.023 0.000 0.946 457 E CB 0.114 29.812 29.700 -0.005 0.000 0.928 457 E HN 0.527 nan 8.360 nan 0.000 0.494 458 P HA -0.231 nan 4.420 nan 0.000 0.220 458 P C 1.139 178.432 177.300 -0.011 0.000 1.144 458 P CA 1.262 64.343 63.100 -0.032 0.000 0.800 458 P CB 0.171 31.856 31.700 -0.025 0.000 0.772 459 S N -1.353 114.348 115.700 0.002 0.000 2.453 459 S HA -0.048 4.422 4.470 0.000 0.000 0.231 459 S C 1.892 176.509 174.600 0.029 0.000 1.005 459 S CA 0.585 58.794 58.200 0.015 0.000 0.949 459 S CB -0.640 62.571 63.200 0.017 0.000 0.774 459 S HN 0.057 nan 8.310 nan 0.000 0.510 460 K N 1.262 121.681 120.400 0.032 0.000 2.305 460 K HA 0.218 4.538 4.320 0.000 0.000 0.199 460 K C 1.812 178.477 176.600 0.108 0.000 1.047 460 K CA 0.449 56.777 56.287 0.068 0.000 0.976 460 K CB -0.289 32.252 32.500 0.068 0.000 0.765 460 K HN 0.477 nan 8.250 nan 0.000 0.474 461 I N 0.815 121.423 120.570 0.062 0.000 2.248 461 I HA -0.307 3.863 4.170 0.000 0.000 0.248 461 I C 2.092 178.310 176.117 0.168 0.000 1.107 461 I CA 1.326 62.676 61.300 0.084 0.000 1.373 461 I CB -0.531 37.465 38.000 -0.007 0.000 1.055 461 I HN 0.107 nan 8.210 nan 0.000 0.418 462 T N 0.557 115.176 114.554 0.108 0.000 2.684 462 T HA -0.216 4.134 4.350 0.000 0.000 0.267 462 T C 1.978 176.754 174.700 0.126 0.000 1.036 462 T CA 1.488 63.646 62.100 0.097 0.000 1.148 462 T CB -0.133 68.766 68.868 0.052 0.000 0.863 462 T HN 0.306 nan 8.240 nan 0.000 0.436 463 K N -0.173 120.308 120.400 0.136 0.000 2.057 463 K HA -0.054 4.266 4.320 0.000 0.000 0.207 463 K C 2.031 178.755 176.600 0.205 0.000 1.049 463 K CA 1.272 57.644 56.287 0.142 0.000 0.931 463 K CB -0.336 32.240 32.500 0.127 0.000 0.714 463 K HN 0.320 nan 8.250 nan 0.000 0.440 464 F N 2.247 122.266 119.950 0.116 0.000 2.069 464 F HA -0.245 4.282 4.527 0.000 0.000 0.298 464 F C 2.400 178.313 175.800 0.188 0.000 1.113 464 F CA 1.713 59.817 58.000 0.172 0.000 1.214 464 F CB -0.136 38.930 39.000 0.110 0.000 0.978 464 F HN 0.079 nan 8.300 nan 0.000 0.474 465 E N 0.331 120.728 120.200 0.330 0.000 2.038 465 E HA -0.315 4.035 4.350 0.000 0.000 0.195 465 E C 2.240 178.902 176.600 0.105 0.000 1.000 465 E CA 1.384 57.929 56.400 0.241 0.000 0.803 465 E CB -0.612 29.229 29.700 0.235 0.000 0.750 465 E HN 0.522 nan 8.360 nan 0.000 0.448 466 N N 0.655 119.406 118.700 0.085 0.000 2.036 466 N HA -0.213 4.527 4.740 0.000 0.000 0.195 466 N C 1.820 177.343 175.510 0.022 0.000 1.037 466 N CA 1.893 54.970 53.050 0.044 0.000 0.855 466 N CB -0.235 38.281 38.487 0.049 0.000 1.033 466 N HN 0.188 nan 8.380 nan 0.000 0.423 467 A N 0.465 123.318 122.820 0.055 0.000 1.877 467 A HA -0.114 4.206 4.320 0.000 0.000 0.216 467 A C 2.170 179.773 177.584 0.031 0.000 1.186 467 A CA 1.191 53.302 52.037 0.124 0.000 0.620 467 A CB -1.177 17.968 19.000 0.242 0.000 0.822 467 A HN 0.480 nan 8.150 nan 0.000 0.443 468 F N 0.246 119.908 119.950 -0.479 0.000 2.095 468 F HA -0.155 4.372 4.527 0.000 0.000 0.298 468 F C 1.838 177.365 175.800 -0.456 0.000 1.104 468 F CA 1.845 59.242 58.000 -1.006 0.000 1.232 468 F CB -0.393 37.868 39.000 -1.232 0.000 0.987 468 F HN 0.193 nan 8.300 nan 0.000 0.475 469 L N -0.059 120.953 121.223 -0.351 0.000 2.056 469 L HA -0.144 4.196 4.340 0.000 0.000 0.207 469 L C 2.453 179.156 176.870 -0.278 0.000 1.078 469 L CA 2.045 56.688 54.840 -0.329 0.000 0.749 469 L CB -1.114 40.886 42.059 -0.098 0.000 0.901 469 L HN 0.129 nan 8.230 nan 0.000 0.433 470 S N -1.334 114.267 115.700 -0.165 0.000 2.370 470 S HA -0.293 4.177 4.470 0.000 0.000 0.226 470 S C 1.972 176.490 174.600 -0.137 0.000 1.033 470 S CA 1.591 59.724 58.200 -0.111 0.000 1.011 470 S CB -0.619 62.560 63.200 -0.035 0.000 0.852 470 S HN 0.740 nan 8.310 nan 0.000 0.457 471 H N 0.885 119.804 119.070 -0.251 0.000 2.389 471 H HA 0.069 4.626 4.556 0.000 0.000 0.299 471 H C 1.770 176.869 175.328 -0.381 0.000 1.081 471 H CA 1.441 57.338 56.048 -0.253 0.000 1.345 471 H CB -0.260 29.434 29.762 -0.112 0.000 1.393 471 H HN 0.158 nan 8.280 nan 0.000 0.520 472 V N 0.326 119.910 119.914 -0.550 0.000 2.379 472 V HA -0.177 3.943 4.120 0.000 0.000 0.245 472 V C 2.525 178.390 176.094 -0.381 0.000 1.044 472 V CA 1.710 63.702 62.300 -0.513 0.000 1.036 472 V CB -0.458 31.003 31.823 -0.604 0.000 0.664 472 V HN 0.410 nan 8.190 nan 0.000 0.453 473 I N 0.052 120.435 120.570 -0.313 0.000 2.163 473 I HA -0.270 3.900 4.170 0.000 0.000 0.243 473 I C 2.739 178.713 176.117 -0.238 0.000 1.085 473 I CA 2.041 63.206 61.300 -0.224 0.000 1.347 473 I CB -0.421 37.477 38.000 -0.169 0.000 1.044 473 I HN 0.325 nan 8.210 nan 0.000 0.408 474 S N -0.438 115.098 115.700 -0.275 0.000 2.355 474 S HA -0.223 4.247 4.470 0.000 0.000 0.222 474 S C 1.983 176.379 174.600 -0.340 0.000 1.031 474 S CA 1.554 59.601 58.200 -0.256 0.000 0.993 474 S CB -0.046 63.031 63.200 -0.205 0.000 0.859 474 S HN 0.456 nan 8.310 nan 0.000 0.453 475 Q N -1.355 118.097 119.800 -0.579 0.000 2.350 475 Q HA 0.152 4.493 4.340 0.000 0.000 0.225 475 Q C -0.214 175.308 176.000 -0.797 0.000 0.878 475 Q CA 0.146 55.511 55.803 -0.730 0.000 0.935 475 Q CB 0.424 28.570 28.738 -0.985 0.000 1.099 475 Q HN 0.707 nan 8.270 nan 0.000 0.527 476 H N -0.521 118.289 119.070 -0.433 0.000 2.534 476 H HA 0.131 4.687 4.556 0.000 0.000 0.250 476 H C 0.536 175.734 175.328 -0.217 0.000 1.256 476 H CA -0.285 55.554 56.048 -0.349 0.000 1.000 476 H CB 0.892 30.333 29.762 -0.536 0.000 1.801 476 H HN 0.056 nan 8.280 nan 0.000 0.569 477 Q N 1.332 121.066 119.800 -0.110 0.000 2.167 477 Q HA -0.033 4.307 4.340 0.000 0.000 0.202 477 Q C 2.191 178.166 176.000 -0.041 0.000 0.970 477 Q CA 1.466 57.218 55.803 -0.085 0.000 0.855 477 Q CB 0.017 28.697 28.738 -0.096 0.000 0.911 477 Q HN 0.632 nan 8.270 nan 0.000 0.438 478 A N 0.188 122.997 122.820 -0.019 0.000 1.972 478 A HA -0.130 4.190 4.320 0.000 0.000 0.219 478 A C 2.002 179.594 177.584 0.014 0.000 1.169 478 A CA 1.134 53.172 52.037 0.001 0.000 0.635 478 A CB -0.678 18.332 19.000 0.016 0.000 0.810 478 A HN 0.506 nan 8.150 nan 0.000 0.446 479 L N -0.480 120.764 121.223 0.033 0.000 2.109 479 L HA 0.050 4.390 4.340 0.000 0.000 0.207 479 L C 0.285 177.155 176.870 0.001 0.000 1.086 479 L CA 0.846 55.707 54.840 0.035 0.000 0.760 479 L CB -0.234 41.879 42.059 0.091 0.000 0.910 479 L HN 0.347 nan 8.230 nan 0.000 0.437 480 L N 1.393 122.608 121.223 -0.013 0.000 2.415 480 L HA 0.252 4.592 4.340 0.000 0.000 0.269 480 L C 0.178 177.038 176.870 -0.018 0.000 1.244 480 L CA 0.012 54.838 54.840 -0.023 0.000 1.113 480 L CB -0.474 41.560 42.059 -0.041 0.000 1.352 480 L HN 0.199 nan 8.230 nan 0.000 0.433 481 S N 1.807 117.501 115.700 -0.010 0.000 2.536 481 S HA 0.555 5.025 4.470 0.000 0.000 0.271 481 S C 0.722 175.320 174.600 -0.003 0.000 1.134 481 S CA -0.556 57.640 58.200 -0.007 0.000 0.897 481 S CB 1.710 nan 63.200 nan 0.000 1.094 481 S HN 0.387 nan 8.310 nan 0.000 0.473 482 K N -0.357 120.042 120.400 -0.001 0.000 3.575 482 K HA -0.172 4.148 4.320 0.000 0.000 0.272 482 K C -0.045 176.558 176.600 0.005 0.000 1.019 482 K CA 1.641 57.930 56.287 0.002 0.000 1.123 482 K CB -1.840 30.662 32.500 0.002 0.000 1.364 482 K HN 0.803 nan 8.250 nan 0.000 0.482 495 A N 0.564 123.396 122.820 0.021 0.000 1.944 495 A HA 0.079 4.399 4.320 0.000 0.000 0.209 495 A C 1.913 179.498 177.584 0.002 0.000 1.328 495 A CA 0.542 52.589 52.037 0.016 0.000 0.693 495 A CB 0.310 19.316 19.000 0.011 0.000 0.994 495 A HN -0.027 nan 8.150 nan 0.000 0.485 496 K N 0.040 120.434 120.400 -0.010 0.000 2.116 496 K HA 0.063 4.383 4.320 0.000 0.000 0.203 496 K C 1.848 178.415 176.600 -0.054 0.000 1.052 496 K CA 0.914 57.184 56.287 -0.028 0.000 0.952 496 K CB -0.252 32.234 32.500 -0.022 0.000 0.729 496 K HN 0.449 nan 8.250 nan 0.000 0.446 497 L N 0.938 122.132 121.223 -0.048 0.000 2.046 497 L HA -0.168 4.172 4.340 0.000 0.000 0.208 497 L C 2.630 179.428 176.870 -0.121 0.000 1.077 497 L CA 1.327 56.115 54.840 -0.087 0.000 0.747 497 L CB -0.460 41.559 42.059 -0.066 0.000 0.896 497 L HN 0.141 nan 8.230 nan 0.000 0.432 498 K N 0.359 120.744 120.400 -0.026 0.000 2.032 498 K HA -0.247 4.073 4.320 0.000 0.000 0.209 498 K C 2.189 178.802 176.600 0.022 0.000 1.048 498 K CA 1.692 58.025 56.287 0.076 0.000 0.927 498 K CB -0.026 32.553 32.500 0.132 0.000 0.712 498 K HN 0.267 nan 8.250 nan 0.000 0.441 499 E N 0.329 120.506 120.200 -0.037 0.000 2.152 499 E HA -0.138 4.212 4.350 0.000 0.000 0.192 499 E C 1.951 178.429 176.600 -0.203 0.000 0.983 499 E CA 0.630 56.982 56.400 -0.080 0.000 0.818 499 E CB 0.068 29.732 29.700 -0.061 0.000 0.758 499 E HN 0.388 nan 8.360 nan 0.000 0.467 500 I N 0.119 120.524 120.570 -0.274 0.000 2.584 500 I HA -0.168 4.002 4.170 0.000 0.000 0.255 500 I C 1.853 177.436 176.117 -0.890 0.000 1.145 500 I CA 0.385 61.370 61.300 -0.525 0.000 1.462 500 I CB 0.271 38.051 38.000 -0.367 0.000 1.102 500 I HN 0.003 nan 8.210 nan 0.000 0.433 501 V N 0.849 120.450 119.914 -0.521 0.000 2.379 501 V HA -0.242 3.878 4.120 0.000 0.000 0.245 501 V C 2.662 178.573 176.094 -0.304 0.000 1.044 501 V CA 2.253 64.321 62.300 -0.388 0.000 1.036 501 V CB -1.237 30.326 31.823 -0.433 0.000 0.664 501 V HN 0.627 nan 8.190 nan 0.000 0.453 502 T N -1.279 113.102 114.554 -0.288 0.000 2.962 502 T HA -0.187 4.163 4.350 0.000 0.000 0.270 502 T C 1.670 176.195 174.700 -0.291 0.000 1.088 502 T CA 1.691 63.575 62.100 -0.361 0.000 1.127 502 T CB -0.619 68.076 68.868 -0.289 0.000 0.883 502 T HN 0.450 nan 8.240 nan 0.000 0.493 503 N N 0.723 119.206 118.700 -0.362 0.000 2.120 503 N HA 0.009 4.749 4.740 0.000 0.000 0.188 503 N C 1.451 176.902 175.510 -0.099 0.000 1.024 503 N CA 1.519 54.392 53.050 -0.294 0.000 0.852 503 N CB -0.530 37.690 38.487 -0.445 0.000 1.003 503 N HN 0.638 nan 8.380 nan 0.000 0.424 504 F N -0.344 119.613 119.950 0.012 0.000 2.149 504 F HA 0.004 4.531 4.527 0.000 0.000 0.294 504 F C 2.236 178.163 175.800 0.213 0.000 1.095 504 F CA -0.131 57.951 58.000 0.137 0.000 1.276 504 F CB -0.327 38.746 39.000 0.122 0.000 1.023 504 F HN 0.064 nan 8.300 nan 0.000 0.480 505 L N 0.919 122.303 121.223 0.269 0.000 2.042 505 L HA -0.221 4.120 4.340 0.000 0.000 0.210 505 L C 2.521 179.476 176.870 0.141 0.000 1.076 505 L CA 2.073 56.996 54.840 0.139 0.000 0.749 505 L CB -1.314 40.670 42.059 -0.125 0.000 0.893 505 L HN 0.189 nan 8.230 nan 0.000 0.432 506 A N -0.385 122.454 122.820 0.032 0.000 1.835 506 A HA -0.123 4.197 4.320 0.000 0.000 0.215 506 A C 2.382 180.040 177.584 0.123 0.000 1.199 506 A CA 1.723 53.785 52.037 0.041 0.000 0.615 506 A CB -1.422 17.569 19.000 -0.015 0.000 0.838 506 A HN 0.454 nan 8.150 nan 0.000 0.444 507 G N -1.674 107.216 108.800 0.149 0.000 2.442 507 G HA2 -0.234 3.726 3.960 0.000 0.000 0.219 507 G HA3 -0.234 3.726 3.960 0.000 0.000 0.219 507 G C 1.470 176.469 174.900 0.165 0.000 1.141 507 G CA 1.168 46.356 45.100 0.147 0.000 0.763 507 G HN 0.404 nan 8.290 nan 0.000 0.554 508 F N 0.951 120.973 119.950 0.120 0.000 2.051 508 F HA 0.070 4.597 4.527 0.000 0.000 0.296 508 F C 1.741 177.626 175.800 0.140 0.000 1.122 508 F CA 1.190 59.255 58.000 0.109 0.000 1.201 508 F CB -0.001 39.104 39.000 0.175 0.000 0.978 508 F HN 0.096 nan 8.300 nan 0.000 0.472 509 E N 1.616 122.075 120.200 0.432 0.000 1.954 509 E HA 0.180 4.530 4.350 0.000 0.000 0.272 509 E C -0.078 176.604 176.600 0.138 0.000 1.170 509 E CA -0.317 56.271 56.400 0.313 0.000 1.101 509 E CB -0.352 29.499 29.700 0.252 0.000 1.076 509 E HN 0.342 nan 8.360 nan 0.000 0.449 510 A N 0.000 122.861 122.820 0.068 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 52.046 52.037 0.015 0.000 0.836 510 A CB 0.000 18.973 19.000 -0.046 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486