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 1nbm_1_A DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.283 176.300 -0.028 0.000 2.045 24 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 24 D CB 0.000 40.791 40.800 -0.015 0.000 0.688 25 L N 3.291 124.493 121.223 -0.035 0.000 2.583 25 L HA 0.246 4.585 4.340 -0.000 0.000 0.280 25 L C 0.935 177.767 176.870 -0.063 0.000 1.261 25 L CA 0.561 55.358 54.840 -0.071 0.000 1.164 25 L CB -0.120 41.883 42.059 -0.094 0.000 1.402 25 L HN 0.520 nan 8.230 nan 0.000 0.443 26 E N 0.083 120.248 120.200 -0.058 0.000 2.512 26 E HA -0.024 4.326 4.350 -0.000 0.000 0.281 26 E C 0.994 177.564 176.600 -0.050 0.000 1.098 26 E CA 0.054 56.425 56.400 -0.049 0.000 2.055 26 E CB 0.214 29.892 29.700 -0.036 0.000 2.653 26 E HN 0.316 nan 8.360 nan 0.000 1.080 27 E N 0.189 120.362 120.200 -0.046 0.000 2.473 27 E HA 0.204 4.554 4.350 -0.000 0.000 0.204 27 E C 0.180 176.746 176.600 -0.056 0.000 0.994 27 E CA 0.990 57.361 56.400 -0.048 0.000 0.945 27 E CB 1.461 31.138 29.700 -0.038 0.000 0.990 27 E HN 0.421 nan 8.360 nan 0.000 0.493 28 T N -2.122 112.400 114.554 -0.053 0.000 2.888 28 T HA 0.815 5.165 4.350 -0.000 0.000 0.288 28 T C 0.329 174.995 174.700 -0.057 0.000 1.063 28 T CA -0.620 61.447 62.100 -0.055 0.000 1.010 28 T CB 2.521 71.368 68.868 -0.036 0.000 1.214 28 T HN 0.023 nan 8.240 nan 0.000 0.533 29 G N -0.064 108.706 108.800 -0.050 0.000 2.608 29 G HA2 0.657 4.617 3.960 -0.000 0.000 0.291 29 G HA3 0.657 4.617 3.960 -0.000 0.000 0.291 29 G C -1.776 173.129 174.900 0.009 0.000 1.425 29 G CA -1.291 43.791 45.100 -0.030 0.000 0.787 29 G HN 0.975 nan 8.290 nan 0.000 0.484 30 R N -0.427 120.112 120.500 0.066 0.000 2.561 30 R HA 0.675 5.015 4.340 -0.000 0.000 0.297 30 R C -1.113 175.246 176.300 0.099 0.000 0.969 30 R CA -0.744 55.403 56.100 0.078 0.000 0.879 30 R CB 2.092 32.443 30.300 0.085 0.000 1.178 30 R HN 0.300 nan 8.270 nan 0.000 0.445 31 V N 5.532 125.505 119.914 0.098 0.000 2.485 31 V HA -0.032 4.088 4.120 -0.000 0.000 0.287 31 V C 1.517 177.660 176.094 0.083 0.000 1.022 31 V CA 0.207 62.577 62.300 0.117 0.000 1.067 31 V CB 0.450 32.371 31.823 0.164 0.000 0.967 31 V HN 0.795 nan 8.190 nan 0.000 0.479 32 L N 3.861 125.130 121.223 0.077 0.000 2.102 32 L HA 0.077 4.417 4.340 -0.000 0.000 0.202 32 L C 0.978 177.867 176.870 0.031 0.000 1.076 32 L CA 1.017 55.878 54.840 0.034 0.000 0.761 32 L CB -0.011 42.066 42.059 0.030 0.000 0.921 32 L HN 0.834 nan 8.230 nan 0.000 0.444 33 S N -1.116 114.612 115.700 0.047 0.000 2.556 33 S HA 0.665 5.135 4.470 -0.000 0.000 0.271 33 S C -0.990 173.639 174.600 0.048 0.000 1.135 33 S CA -0.742 57.480 58.200 0.036 0.000 0.858 33 S CB 2.808 66.022 63.200 0.024 0.000 1.114 33 S HN 0.022 nan 8.310 nan 0.000 0.468 34 I N 0.176 120.764 120.570 0.030 0.000 2.607 34 I HA 0.864 5.034 4.170 -0.000 0.000 0.290 34 I C -0.500 175.618 176.117 0.000 0.000 1.129 34 I CA 0.253 61.565 61.300 0.021 0.000 1.042 34 I CB 1.547 39.553 38.000 0.010 0.000 1.242 34 I HN 1.318 nan 8.210 nan 0.000 0.421 35 G N 4.700 113.497 108.800 -0.006 0.000 2.443 35 G HA2 0.424 4.384 3.960 -0.000 0.000 0.303 35 G HA3 0.424 4.384 3.960 -0.000 0.000 0.303 35 G C -1.285 173.605 174.900 -0.017 0.000 1.613 35 G CA -0.498 44.594 45.100 -0.014 0.000 0.879 35 G HN 0.694 nan 8.290 nan 0.000 0.632 36 D N -0.076 120.309 120.400 -0.024 0.000 2.723 36 D HA -0.147 4.493 4.640 -0.000 0.000 0.236 36 D C 1.740 178.023 176.300 -0.029 0.000 1.138 36 D CA 2.927 56.911 54.000 -0.027 0.000 0.676 36 D CB -1.167 39.617 40.800 -0.027 0.000 1.069 36 D HN 2.238 nan 8.370 nan 0.000 0.430 37 G N -1.292 107.488 108.800 -0.032 0.000 2.220 37 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.269 37 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.269 37 G C 0.349 175.248 174.900 -0.001 0.000 0.977 37 G CA 0.509 45.591 45.100 -0.029 0.000 0.634 37 G HN 0.504 nan 8.290 nan 0.000 0.539 38 I N 1.320 121.893 120.570 0.005 0.000 2.353 38 I HA 0.653 4.823 4.170 -0.000 0.000 0.293 38 I C 0.549 176.701 176.117 0.057 0.000 0.992 38 I CA -0.705 60.615 61.300 0.034 0.000 1.268 38 I CB 1.137 39.146 38.000 0.015 0.000 1.387 38 I HN 0.396 nan 8.210 nan 0.000 0.478 39 A N 7.557 130.447 122.820 0.117 0.000 2.340 39 A HA 0.571 4.891 4.320 -0.000 0.000 0.297 39 A C -0.124 177.548 177.584 0.147 0.000 1.195 39 A CA -0.798 51.338 52.037 0.164 0.000 0.769 39 A CB 0.733 19.935 19.000 0.337 0.000 1.163 39 A HN 0.542 nan 8.150 nan 0.000 0.472 40 R N 2.440 123.003 120.500 0.104 0.000 2.429 40 R HA 0.228 4.568 4.340 -0.000 0.000 0.302 40 R C -0.317 176.042 176.300 0.098 0.000 1.268 40 R CA -0.084 56.067 56.100 0.085 0.000 1.090 40 R CB -0.077 30.262 30.300 0.064 0.000 1.102 40 R HN 0.481 nan 8.270 nan 0.000 0.522 41 V N 2.964 122.930 119.914 0.087 0.000 2.614 41 V HA -0.003 4.116 4.120 -0.000 0.000 0.291 41 V C 0.434 176.581 176.094 0.088 0.000 1.049 41 V CA -0.365 61.977 62.300 0.069 0.000 1.038 41 V CB 0.794 32.611 31.823 -0.011 0.000 0.980 41 V HN 0.576 nan 8.190 nan 0.000 0.481 42 H N 2.711 121.781 119.070 -0.000 0.000 2.581 42 H HA 0.648 5.204 4.556 -0.000 0.000 0.308 42 H C 0.306 175.627 175.328 -0.013 0.000 1.040 42 H CA 0.856 56.902 56.048 -0.003 0.000 1.231 42 H CB 0.641 30.405 29.762 0.003 0.000 1.396 42 H HN 0.968 nan 8.280 nan 0.000 0.467 43 G N 3.056 111.636 108.800 -0.366 0.000 2.253 43 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.190 43 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.190 43 G C -0.416 174.389 174.900 -0.158 0.000 1.274 43 G CA -0.460 44.472 45.100 -0.280 0.000 1.275 43 G HN 0.957 nan 8.290 nan 0.000 0.518 44 L N 0.252 121.407 121.223 -0.113 0.000 3.739 44 L HA -0.196 4.144 4.340 -0.000 0.000 0.442 44 L C 1.898 178.721 176.870 -0.079 0.000 1.241 44 L CA 0.594 55.380 54.840 -0.089 0.000 0.819 44 L CB -0.813 41.193 42.059 -0.089 0.000 1.679 44 L HN 0.564 nan 8.230 nan 0.000 0.889 45 R N 0.213 120.664 120.500 -0.081 0.000 2.357 45 R HA -0.003 4.337 4.340 -0.000 0.000 0.202 45 R C 0.961 177.232 176.300 -0.048 0.000 1.047 45 R CA 0.841 56.901 56.100 -0.066 0.000 1.034 45 R CB -0.461 29.798 30.300 -0.067 0.000 0.875 45 R HN 0.683 nan 8.270 nan 0.000 0.473 46 N N -0.043 118.629 118.700 -0.047 0.000 2.197 46 N HA 0.032 4.772 4.740 -0.000 0.000 0.228 46 N C -0.096 175.391 175.510 -0.038 0.000 1.212 46 N CA -0.228 52.800 53.050 -0.038 0.000 0.883 46 N CB 1.238 39.703 38.487 -0.035 0.000 1.107 46 N HN -0.083 nan 8.380 nan 0.000 0.519 47 V N -0.717 119.171 119.914 -0.043 0.000 3.003 47 V HA 0.280 4.400 4.120 -0.000 0.000 0.305 47 V C 0.015 176.092 176.094 -0.029 0.000 1.078 47 V CA -0.607 61.668 62.300 -0.042 0.000 1.083 47 V CB 1.129 32.922 31.823 -0.051 0.000 1.039 47 V HN 0.063 nan 8.190 nan 0.000 0.481 48 Q N 1.581 121.366 119.800 -0.025 0.000 2.215 48 Q HA 0.715 5.055 4.340 -0.000 0.000 0.256 48 Q C -0.055 175.941 176.000 -0.008 0.000 0.972 48 Q CA -0.691 55.104 55.803 -0.014 0.000 0.889 48 Q CB 1.878 30.608 28.738 -0.013 0.000 1.281 48 Q HN 1.120 nan 8.270 nan 0.000 0.456 49 A N 1.484 124.305 122.820 0.002 0.000 2.488 49 A HA 0.100 4.420 4.320 -0.000 0.000 0.249 49 A C -0.027 177.565 177.584 0.014 0.000 1.083 49 A CA 0.239 52.283 52.037 0.012 0.000 0.768 49 A CB -0.290 18.723 19.000 0.021 0.000 1.017 49 A HN 0.932 nan 8.150 nan 0.000 0.496 50 E N -0.393 119.820 120.200 0.022 0.000 2.957 50 E HA -0.181 4.169 4.350 -0.000 0.000 0.287 50 E C 0.059 176.667 176.600 0.014 0.000 0.976 50 E CA 1.111 57.531 56.400 0.034 0.000 0.907 50 E CB -1.408 28.311 29.700 0.033 0.000 1.456 50 E HN 0.905 nan 8.360 nan 0.000 0.421 51 E N 0.474 120.671 120.200 -0.006 0.000 2.313 51 E HA 0.263 4.613 4.350 -0.000 0.000 0.272 51 E C 0.051 176.615 176.600 -0.060 0.000 1.038 51 E CA -0.566 55.814 56.400 -0.032 0.000 0.863 51 E CB 0.688 30.365 29.700 -0.039 0.000 1.060 51 E HN -0.024 nan 8.360 nan 0.000 0.402 52 M N 3.595 123.140 119.600 -0.092 0.000 2.211 52 M HA 0.204 4.684 4.480 -0.000 0.000 0.356 52 M C -0.169 176.046 176.300 -0.142 0.000 1.216 52 M CA -0.438 54.769 55.300 -0.155 0.000 1.134 52 M CB 0.769 33.260 32.600 -0.182 0.000 1.564 52 M HN 0.429 nan 8.290 nan 0.000 0.463 53 V N 0.588 120.399 119.914 -0.171 0.000 3.102 53 V HA 0.735 4.855 4.120 -0.000 0.000 0.312 53 V C -0.909 175.063 176.094 -0.203 0.000 1.135 53 V CA -0.911 61.268 62.300 -0.201 0.000 1.022 53 V CB 2.335 33.992 31.823 -0.277 0.000 1.056 53 V HN 0.908 nan 8.190 nan 0.000 0.436 54 E N 0.639 120.716 120.200 -0.204 0.000 2.222 54 E HA 0.593 4.943 4.350 -0.000 0.000 0.267 54 E C -1.652 174.858 176.600 -0.151 0.000 0.884 54 E CA -0.682 55.663 56.400 -0.091 0.000 0.764 54 E CB 1.865 31.544 29.700 -0.033 0.000 1.169 54 E HN 0.603 nan 8.360 nan 0.000 0.413 55 F N 1.074 121.019 119.950 -0.008 0.000 2.362 55 F HA 0.173 4.700 4.527 -0.000 0.000 0.311 55 F C 1.842 177.643 175.800 0.003 0.000 1.161 55 F CA -0.294 57.708 58.000 0.003 0.000 1.085 55 F CB 1.032 40.040 39.000 0.013 0.000 1.311 55 F HN 0.482 nan 8.300 nan 0.000 0.524 56 S N -0.451 115.377 115.700 0.212 0.000 2.419 56 S HA -0.165 4.305 4.470 -0.000 0.000 0.233 56 S C 1.865 176.526 174.600 0.102 0.000 1.016 56 S CA 1.369 59.638 58.200 0.115 0.000 0.974 56 S CB -0.563 62.693 63.200 0.094 0.000 0.786 56 S HN 0.657 nan 8.310 nan 0.000 0.492 57 S N 0.416 116.192 115.700 0.126 0.000 2.561 57 S HA 0.346 4.816 4.470 -0.000 0.000 0.225 57 S C 1.619 176.265 174.600 0.078 0.000 0.977 57 S CA 0.566 58.812 58.200 0.076 0.000 0.926 57 S CB -0.206 63.018 63.200 0.040 0.000 0.769 57 S HN 0.754 nan 8.310 nan 0.000 0.533 58 G N 0.267 109.134 108.800 0.111 0.000 2.199 58 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.254 58 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.254 58 G C -0.114 174.854 174.900 0.112 0.000 0.982 58 G CA 0.087 45.240 45.100 0.089 0.000 0.632 58 G HN 0.447 nan 8.290 nan 0.000 0.529 59 L N 1.230 122.544 121.223 0.152 0.000 2.461 59 L HA 0.454 4.794 4.340 -0.000 0.000 0.272 59 L C 1.088 178.130 176.870 0.286 0.000 1.197 59 L CA 0.533 55.467 54.840 0.156 0.000 0.836 59 L CB 0.593 42.674 42.059 0.036 0.000 1.105 59 L HN 0.216 nan 8.230 nan 0.000 0.477 60 K N 0.846 121.354 120.400 0.180 0.000 2.098 60 K HA 0.785 5.105 4.320 -0.000 0.000 0.244 60 K C -0.032 176.676 176.600 0.180 0.000 1.014 60 K CA -0.522 55.804 56.287 0.066 0.000 0.917 60 K CB 1.230 33.630 32.500 -0.168 0.000 1.072 60 K HN 0.764 nan 8.250 nan 0.000 0.477 61 G N 0.341 109.141 108.800 -0.000 0.000 2.677 61 G HA2 0.529 4.489 3.960 -0.000 0.000 0.291 61 G HA3 0.529 4.489 3.960 -0.000 0.000 0.291 61 G C -1.901 172.969 174.900 -0.050 0.000 1.435 61 G CA -0.775 44.449 45.100 0.208 0.000 0.826 61 G HN 0.475 nan 8.290 nan 0.000 0.491 62 M N 1.209 120.919 119.600 0.184 0.000 2.197 62 M HA 0.479 4.959 4.480 -0.000 0.000 0.301 62 M C -0.438 175.932 176.300 0.117 0.000 0.987 62 M CA -0.563 54.813 55.300 0.127 0.000 0.921 62 M CB 1.783 34.569 32.600 0.311 0.000 1.569 62 M HN 0.342 nan 8.290 nan 0.000 0.431 63 S N 5.909 121.635 115.700 0.044 0.000 2.700 63 S HA 0.189 4.659 4.470 -0.000 0.000 0.321 63 S C 1.034 175.658 174.600 0.041 0.000 1.161 63 S CA -0.334 57.884 58.200 0.030 0.000 1.078 63 S CB -0.282 62.914 63.200 -0.007 0.000 1.302 63 S HN 0.750 nan 8.310 nan 0.000 0.540 64 L N 1.884 123.138 121.223 0.052 0.000 2.209 64 L HA 0.117 4.457 4.340 -0.000 0.000 0.207 64 L C 0.379 177.269 176.870 0.033 0.000 1.094 64 L CA 0.673 55.538 54.840 0.042 0.000 0.790 64 L CB 0.016 42.092 42.059 0.029 0.000 0.932 64 L HN 0.393 nan 8.230 nan 0.000 0.447 65 N N -0.024 118.692 118.700 0.028 0.000 2.392 65 N HA 0.402 5.142 4.740 -0.000 0.000 0.283 65 N C -1.110 174.411 175.510 0.018 0.000 1.003 65 N CA -0.175 52.889 53.050 0.023 0.000 0.892 65 N CB 1.474 39.972 38.487 0.019 0.000 1.193 65 N HN -0.042 nan 8.380 nan 0.000 0.487 66 L N 2.405 123.638 121.223 0.016 0.000 2.335 66 L HA 0.407 4.747 4.340 -0.000 0.000 0.268 66 L C -0.045 176.830 176.870 0.008 0.000 1.037 66 L CA -0.388 54.456 54.840 0.007 0.000 0.895 66 L CB 0.551 42.613 42.059 0.005 0.000 1.266 66 L HN 0.397 nan 8.230 nan 0.000 0.439 67 E N 3.042 123.248 120.200 0.009 0.000 2.212 67 E HA 0.282 4.632 4.350 -0.000 0.000 0.270 67 E C -1.702 174.903 176.600 0.007 0.000 0.956 67 E CA -1.859 54.548 56.400 0.012 0.000 0.825 67 E CB 1.743 31.454 29.700 0.018 0.000 1.167 67 E HN 0.217 nan 8.360 nan 0.000 0.400 68 P HA -0.236 nan 4.420 nan 0.000 0.218 68 P C 0.494 177.799 177.300 0.009 0.000 1.152 68 P CA 1.544 64.648 63.100 0.007 0.000 0.857 68 P CB 0.168 31.875 31.700 0.012 0.000 0.787 69 D N -2.603 117.815 120.400 0.030 0.000 2.469 69 D HA 0.054 4.694 4.640 -0.000 0.000 0.213 69 D C 0.034 176.389 176.300 0.093 0.000 1.135 69 D CA -0.107 53.932 54.000 0.066 0.000 0.834 69 D CB -0.282 40.574 40.800 0.094 0.000 1.009 69 D HN 0.345 nan 8.370 nan 0.000 0.507 70 N N -1.319 117.409 118.700 0.047 0.000 2.859 70 N HA 0.354 5.093 4.740 -0.000 0.000 0.250 70 N C -1.932 173.590 175.510 0.020 0.000 1.341 70 N CA -0.949 52.133 53.050 0.054 0.000 0.881 70 N CB 1.870 40.404 38.487 0.078 0.000 1.516 70 N HN -0.208 nan 8.380 nan 0.000 0.503 71 V N 0.466 120.390 119.914 0.017 0.000 2.326 71 V HA 0.655 4.775 4.120 -0.000 0.000 0.281 71 V C 0.669 176.780 176.094 0.028 0.000 1.015 71 V CA -0.723 61.582 62.300 0.007 0.000 0.823 71 V CB 0.995 32.806 31.823 -0.019 0.000 1.009 71 V HN 0.902 nan 8.190 nan 0.000 0.436 72 G N 4.461 113.281 108.800 0.032 0.000 2.428 72 G HA2 0.406 4.366 3.960 -0.000 0.000 0.293 72 G HA3 0.406 4.366 3.960 -0.000 0.000 0.293 72 G C -0.326 174.611 174.900 0.061 0.000 1.059 72 G CA -0.008 45.119 45.100 0.045 0.000 1.194 72 G HN 0.516 nan 8.290 nan 0.000 0.435 73 V N 3.503 123.476 119.914 0.098 0.000 2.427 73 V HA 0.256 4.376 4.120 -0.000 0.000 0.286 73 V C 0.247 176.459 176.094 0.196 0.000 1.034 73 V CA -0.690 61.699 62.300 0.147 0.000 0.893 73 V CB 1.832 33.755 31.823 0.166 0.000 0.982 73 V HN 0.441 nan 8.190 nan 0.000 0.452 74 V N 5.685 125.724 119.914 0.208 0.000 2.383 74 V HA 0.266 4.386 4.120 -0.000 0.000 0.275 74 V C 0.196 176.484 176.094 0.323 0.000 1.036 74 V CA -0.538 61.874 62.300 0.186 0.000 0.889 74 V CB 1.516 33.407 31.823 0.113 0.000 0.985 74 V HN 0.628 nan 8.190 nan 0.000 0.459 75 V N 5.743 125.782 119.914 0.210 0.000 2.572 75 V HA 0.144 4.264 4.120 -0.000 0.000 0.291 75 V C 0.285 176.527 176.094 0.247 0.000 1.039 75 V CA 0.085 62.496 62.300 0.186 0.000 1.055 75 V CB 0.461 32.239 31.823 -0.075 0.000 0.969 75 V HN 0.704 nan 8.190 nan 0.000 0.482 76 F N 4.222 124.200 119.950 0.048 0.000 2.894 76 F HA 0.625 5.152 4.527 -0.000 0.000 0.310 76 F C 0.995 176.805 175.800 0.017 0.000 1.204 76 F CA 0.196 58.226 58.000 0.051 0.000 1.290 76 F CB 0.142 39.191 39.000 0.082 0.000 1.317 76 F HN 0.737 nan 8.300 nan 0.000 0.545 77 G N 0.188 109.039 108.800 0.085 0.000 2.343 77 G HA2 -0.011 3.948 3.960 -0.000 0.000 0.289 77 G HA3 -0.011 3.948 3.960 -0.000 0.000 0.289 77 G C -1.460 173.428 174.900 -0.021 0.000 1.295 77 G CA -1.268 43.851 45.100 0.033 0.000 0.869 77 G HN -0.005 nan 8.290 nan 0.000 0.522 78 N N 0.803 119.489 118.700 -0.024 0.000 2.427 78 N HA 0.161 4.901 4.740 -0.000 0.000 0.269 78 N C 1.030 176.496 175.510 -0.075 0.000 1.235 78 N CA 0.511 53.537 53.050 -0.040 0.000 0.934 78 N CB 0.882 39.353 38.487 -0.026 0.000 1.121 78 N HN 0.565 nan 8.380 nan 0.000 0.480 79 D N 1.963 122.307 120.400 -0.092 0.000 2.358 79 D HA -0.079 4.561 4.640 -0.000 0.000 0.241 79 D C 1.313 177.552 176.300 -0.102 0.000 1.094 79 D CA 0.312 54.228 54.000 -0.140 0.000 0.907 79 D CB 0.177 40.896 40.800 -0.136 0.000 0.893 79 D HN 0.517 nan 8.370 nan 0.000 0.528 80 K N 0.802 121.161 120.400 -0.069 0.000 2.147 80 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 80 K C 1.103 177.674 176.600 -0.048 0.000 1.049 80 K CA 0.720 56.980 56.287 -0.046 0.000 0.936 80 K CB -0.061 32.420 32.500 -0.031 0.000 0.722 80 K HN 0.313 nan 8.250 nan 0.000 0.446 81 L N 2.153 123.339 121.223 -0.062 0.000 2.779 81 L HA 0.267 4.607 4.340 -0.000 0.000 0.239 81 L C -0.174 176.652 176.870 -0.074 0.000 1.245 81 L CA -0.058 54.751 54.840 -0.051 0.000 1.064 81 L CB -0.074 41.961 42.059 -0.041 0.000 1.350 81 L HN 0.109 nan 8.230 nan 0.000 0.455 82 I N -0.259 120.258 120.570 -0.089 0.000 2.534 82 I HA 0.352 4.522 4.170 -0.000 0.000 0.288 82 I C -0.397 175.704 176.117 -0.027 0.000 1.077 82 I CA -0.575 60.672 61.300 -0.088 0.000 1.051 82 I CB 2.166 40.021 38.000 -0.241 0.000 1.234 82 I HN 0.080 nan 8.210 nan 0.000 0.425 83 K N 3.273 123.684 120.400 0.018 0.000 2.263 83 K HA 0.458 4.778 4.320 -0.000 0.000 0.249 83 K C -0.834 175.794 176.600 0.046 0.000 1.076 83 K CA -0.960 55.341 56.287 0.023 0.000 0.884 83 K CB 2.074 34.585 32.500 0.019 0.000 1.394 83 K HN 0.509 nan 8.250 nan 0.000 0.476 84 E N -0.184 120.036 120.200 0.035 0.000 2.366 84 E HA 0.160 4.510 4.350 -0.000 0.000 0.266 84 E C 0.396 177.021 176.600 0.042 0.000 1.051 84 E CA 0.824 57.247 56.400 0.038 0.000 0.884 84 E CB 0.481 30.193 29.700 0.020 0.000 1.006 84 E HN 0.723 nan 8.360 nan 0.000 0.417 85 G N 3.600 112.428 108.800 0.047 0.000 2.184 85 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.264 85 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.264 85 G C -0.275 174.660 174.900 0.058 0.000 0.975 85 G CA 0.320 45.447 45.100 0.045 0.000 0.642 85 G HN 0.665 nan 8.290 nan 0.000 0.536 86 D N 0.435 120.885 120.400 0.083 0.000 2.434 86 D HA 0.391 5.031 4.640 -0.000 0.000 0.252 86 D C 0.876 177.230 176.300 0.089 0.000 1.185 86 D CA -0.045 54.019 54.000 0.107 0.000 0.886 86 D CB 0.462 41.369 40.800 0.179 0.000 1.148 86 D HN 0.214 nan 8.370 nan 0.000 0.483 87 I N 3.087 123.693 120.570 0.059 0.000 2.517 87 I HA 0.019 4.189 4.170 -0.000 0.000 0.285 87 I C -0.009 176.102 176.117 -0.011 0.000 1.106 87 I CA 0.089 61.402 61.300 0.022 0.000 1.402 87 I CB 0.615 38.624 38.000 0.015 0.000 1.399 87 I HN 0.067 nan 8.210 nan 0.000 0.535 88 V N 7.560 127.429 119.914 -0.075 0.000 2.459 88 V HA 0.494 4.614 4.120 -0.000 0.000 0.295 88 V C 0.100 176.104 176.094 -0.151 0.000 1.029 88 V CA -0.922 61.257 62.300 -0.202 0.000 0.874 88 V CB 1.479 33.089 31.823 -0.355 0.000 0.985 88 V HN 0.621 nan 8.190 nan 0.000 0.438 89 K N 3.523 123.833 120.400 -0.150 0.000 2.328 89 K HA 0.657 4.977 4.320 -0.000 0.000 0.246 89 K C -0.737 175.791 176.600 -0.120 0.000 0.955 89 K CA -1.024 55.199 56.287 -0.106 0.000 0.817 89 K CB 2.616 35.075 32.500 -0.068 0.000 1.208 89 K HN 0.517 nan 8.250 nan 0.000 0.432 90 R N 0.643 121.086 120.500 -0.094 0.000 2.438 90 R HA 0.066 4.406 4.340 -0.000 0.000 0.287 90 R C 1.163 177.419 176.300 -0.073 0.000 1.077 90 R CA -0.010 56.037 56.100 -0.088 0.000 1.034 90 R CB 0.633 30.891 30.300 -0.070 0.000 0.993 90 R HN 0.833 nan 8.270 nan 0.000 0.459 91 T N -1.358 113.150 114.554 -0.076 0.000 2.939 91 T HA 0.158 4.508 4.350 -0.000 0.000 0.254 91 T C 1.455 176.126 174.700 -0.050 0.000 1.041 91 T CA 0.702 62.765 62.100 -0.062 0.000 1.142 91 T CB 0.161 68.987 68.868 -0.070 0.000 0.874 91 T HN 0.772 nan 8.240 nan 0.000 0.452 92 G N 1.875 110.644 108.800 -0.052 0.000 2.604 92 G HA2 0.028 3.988 3.960 -0.000 0.000 0.205 92 G HA3 0.028 3.988 3.960 -0.000 0.000 0.205 92 G C 0.432 175.309 174.900 -0.037 0.000 1.186 92 G CA -0.070 45.006 45.100 -0.040 0.000 0.753 92 G HN 1.185 nan 8.290 nan 0.000 0.526 93 A N 0.959 123.756 122.820 -0.039 0.000 2.425 93 A HA 0.722 5.042 4.320 -0.000 0.000 0.249 93 A C 0.496 178.055 177.584 -0.042 0.000 1.084 93 A CA 0.372 52.388 52.037 -0.034 0.000 0.781 93 A CB 0.459 19.439 19.000 -0.032 0.000 1.019 93 A HN 1.152 nan 8.150 nan 0.000 0.490 94 I N 1.642 122.192 120.570 -0.033 0.000 3.223 94 I HA 0.300 4.470 4.170 -0.000 0.000 0.317 94 I C -0.055 176.044 176.117 -0.030 0.000 1.050 94 I CA -0.761 60.520 61.300 -0.033 0.000 1.069 94 I CB 1.439 39.427 38.000 -0.021 0.000 1.406 94 I HN 0.386 nan 8.210 nan 0.000 0.596 95 V N 4.327 124.228 119.914 -0.021 0.000 2.425 95 V HA 0.104 4.224 4.120 -0.000 0.000 0.276 95 V C -0.351 175.747 176.094 0.006 0.000 1.017 95 V CA 0.126 62.425 62.300 -0.002 0.000 1.062 95 V CB -0.417 31.430 31.823 0.040 0.000 0.997 95 V HN 0.691 nan 8.190 nan 0.000 0.476 96 D N 4.301 124.705 120.400 0.006 0.000 2.756 96 D HA 0.564 5.204 4.640 -0.000 0.000 0.226 96 D C -0.857 175.448 176.300 0.008 0.000 1.186 96 D CA -0.471 53.532 54.000 0.006 0.000 0.845 96 D CB 2.530 43.327 40.800 -0.005 0.000 1.610 96 D HN 0.405 nan 8.370 nan 0.000 0.465 97 V N -2.493 117.424 119.914 0.006 0.000 2.769 97 V HA 0.703 4.823 4.120 -0.000 0.000 0.312 97 V C -2.792 173.282 176.094 -0.032 0.000 1.061 97 V CA -2.213 60.089 62.300 0.002 0.000 0.931 97 V CB 1.771 33.608 31.823 0.023 0.000 1.010 97 V HN 0.488 nan 8.190 nan 0.000 0.433 98 P HA 0.318 nan 4.420 nan 0.000 0.271 98 P C -0.802 176.418 177.300 -0.133 0.000 1.218 98 P CA 0.113 63.159 63.100 -0.090 0.000 0.780 98 P CB 1.926 33.586 31.700 -0.067 0.000 0.901 99 V N 1.662 121.422 119.914 -0.256 0.000 2.888 99 V HA 0.886 5.006 4.120 -0.000 0.000 0.309 99 V C -0.405 175.313 176.094 -0.627 0.000 1.114 99 V CA 0.136 62.208 62.300 -0.380 0.000 0.940 99 V CB 1.777 33.346 31.823 -0.423 0.000 1.021 99 V HN 1.026 nan 8.190 nan 0.000 0.426 100 G N 3.763 112.257 108.800 -0.510 0.000 2.321 100 G HA2 0.192 4.151 3.960 -0.000 0.000 0.298 100 G HA3 0.192 4.151 3.960 -0.000 0.000 0.298 100 G C -0.230 174.561 174.900 -0.182 0.000 1.385 100 G CA -0.022 44.814 45.100 -0.441 0.000 0.856 100 G HN 0.693 nan 8.290 nan 0.000 0.584 101 E N 0.073 120.216 120.200 -0.095 0.000 2.409 101 E HA -0.102 4.248 4.350 -0.000 0.000 0.198 101 E C 1.888 178.520 176.600 0.054 0.000 1.024 101 E CA 1.051 57.476 56.400 0.042 0.000 0.861 101 E CB 0.161 29.894 29.700 0.055 0.000 0.788 101 E HN 0.629 nan 8.360 nan 0.000 0.521 102 E N 0.723 120.925 120.200 0.004 0.000 2.516 102 E HA -0.136 4.213 4.350 -0.000 0.000 0.199 102 E C 1.546 178.157 176.600 0.019 0.000 1.069 102 E CA 0.531 56.937 56.400 0.010 0.000 0.876 102 E CB -0.050 29.640 29.700 -0.015 0.000 0.843 102 E HN 0.372 nan 8.360 nan 0.000 0.530 103 L N 0.465 121.709 121.223 0.035 0.000 2.590 103 L HA 0.236 4.576 4.340 -0.000 0.000 0.227 103 L C 1.016 177.935 176.870 0.082 0.000 1.099 103 L CA -0.218 54.652 54.840 0.049 0.000 0.872 103 L CB 0.105 42.192 42.059 0.048 0.000 1.088 103 L HN 0.017 nan 8.230 nan 0.000 0.479 104 L N 1.038 122.329 121.223 0.112 0.000 2.499 104 L HA 0.140 4.480 4.340 -0.000 0.000 0.273 104 L C 1.314 178.229 176.870 0.075 0.000 1.195 104 L CA 0.675 55.592 54.840 0.129 0.000 0.882 104 L CB 0.142 42.316 42.059 0.191 0.000 1.133 104 L HN 0.370 nan 8.230 nan 0.000 0.483 105 G N 2.083 110.907 108.800 0.040 0.000 2.143 105 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.248 105 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.248 105 G C 0.111 175.017 174.900 0.011 0.000 0.991 105 G CA -0.354 44.749 45.100 0.005 0.000 0.689 105 G HN 0.479 nan 8.290 nan 0.000 0.522 106 R N -0.713 119.803 120.500 0.025 0.000 2.740 106 R HA 0.685 5.025 4.340 -0.000 0.000 0.282 106 R C -0.398 175.920 176.300 0.031 0.000 0.969 106 R CA -0.863 55.252 56.100 0.025 0.000 0.918 106 R CB 1.967 32.285 30.300 0.029 0.000 1.175 106 R HN 0.215 nan 8.270 nan 0.000 0.464 107 V N 2.931 122.862 119.914 0.028 0.000 2.347 107 V HA 0.432 4.552 4.120 -0.000 0.000 0.280 107 V C 0.193 176.311 176.094 0.039 0.000 1.021 107 V CA -0.761 61.561 62.300 0.037 0.000 0.847 107 V CB 1.411 33.253 31.823 0.031 0.000 0.990 107 V HN 0.581 nan 8.190 nan 0.000 0.444 108 V N 1.403 121.346 119.914 0.048 0.000 3.001 108 V HA 0.796 4.916 4.120 -0.000 0.000 0.314 108 V C -0.331 175.795 176.094 0.053 0.000 1.099 108 V CA -0.879 61.448 62.300 0.046 0.000 0.989 108 V CB 2.114 33.963 31.823 0.043 0.000 1.040 108 V HN 0.768 nan 8.190 nan 0.000 0.434 109 D N 2.517 122.949 120.400 0.053 0.000 2.440 109 D HA 0.423 5.063 4.640 -0.000 0.000 0.269 109 D C 1.323 177.663 176.300 0.067 0.000 1.249 109 D CA 0.102 54.138 54.000 0.060 0.000 1.055 109 D CB 0.982 41.819 40.800 0.062 0.000 1.104 109 D HN 0.833 nan 8.370 nan 0.000 0.561 110 A N -0.665 122.199 122.820 0.074 0.000 1.978 110 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 110 A C 2.070 179.715 177.584 0.101 0.000 1.170 110 A CA 0.983 53.071 52.037 0.084 0.000 0.636 110 A CB -0.768 18.285 19.000 0.088 0.000 0.810 110 A HN 0.523 nan 8.150 nan 0.000 0.448 111 L N -0.949 120.337 121.223 0.106 0.000 2.783 111 L HA 0.262 4.602 4.340 -0.000 0.000 0.236 111 L C 1.639 178.548 176.870 0.066 0.000 1.225 111 L CA 0.296 55.197 54.840 0.102 0.000 1.026 111 L CB -0.423 41.710 42.059 0.124 0.000 1.314 111 L HN 0.554 nan 8.230 nan 0.000 0.489 112 G N -0.105 108.729 108.800 0.057 0.000 2.270 112 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.268 112 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.268 112 G C 0.450 175.370 174.900 0.033 0.000 0.982 112 G CA 0.161 45.284 45.100 0.039 0.000 0.628 112 G HN 0.497 nan 8.290 nan 0.000 0.544 113 N N 1.615 120.339 118.700 0.040 0.000 2.411 113 N HA 0.398 5.138 4.740 -0.000 0.000 0.261 113 N C 0.689 176.218 175.510 0.033 0.000 1.248 113 N CA 0.862 53.933 53.050 0.034 0.000 0.885 113 N CB 0.913 39.425 38.487 0.041 0.000 1.062 113 N HN 0.776 nan 8.380 nan 0.000 0.471 114 A N 2.637 125.472 122.820 0.025 0.000 2.520 114 A HA 0.163 4.483 4.320 -0.000 0.000 0.245 114 A C 1.393 178.993 177.584 0.026 0.000 1.072 114 A CA -0.128 51.923 52.037 0.024 0.000 0.761 114 A CB -0.408 18.603 19.000 0.018 0.000 1.004 114 A HN 0.831 nan 8.150 nan 0.000 0.499 115 I N -0.248 120.339 120.570 0.028 0.000 4.147 115 I HA 0.217 4.387 4.170 -0.000 0.000 0.329 115 I C 0.485 176.615 176.117 0.022 0.000 1.424 115 I CA 0.105 61.421 61.300 0.027 0.000 1.127 115 I CB 0.421 38.441 38.000 0.033 0.000 1.128 115 I HN 0.526 nan 8.210 nan 0.000 0.417 116 D N 1.491 121.903 120.400 0.019 0.000 2.340 116 D HA 0.082 4.722 4.640 -0.000 0.000 0.220 116 D C 1.660 177.966 176.300 0.011 0.000 1.039 116 D CA 0.694 54.703 54.000 0.014 0.000 0.866 116 D CB 0.343 41.151 40.800 0.012 0.000 0.913 116 D HN 0.485 nan 8.370 nan 0.000 0.523 117 G N 1.427 110.235 108.800 0.013 0.000 2.270 117 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.268 117 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.268 117 G C 0.526 175.431 174.900 0.008 0.000 0.982 117 G CA 0.506 45.612 45.100 0.010 0.000 0.628 117 G HN 0.471 nan 8.290 nan 0.000 0.544 118 K N 1.610 122.015 120.400 0.008 0.000 2.449 118 K HA 0.444 4.764 4.320 -0.000 0.000 0.237 118 K C 1.372 177.977 176.600 0.008 0.000 1.265 118 K CA 0.306 56.597 56.287 0.007 0.000 1.193 118 K CB -0.403 32.101 32.500 0.006 0.000 1.515 118 K HN 1.224 nan 8.250 nan 0.000 0.259 119 G N 2.998 111.803 108.800 0.008 0.000 2.801 119 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.244 119 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.244 119 G C -2.425 172.480 174.900 0.008 0.000 1.385 119 G CA -1.024 44.081 45.100 0.007 0.000 0.894 119 G HN 0.365 nan 8.290 nan 0.000 0.562 120 P HA 0.532 nan 4.420 nan 0.000 0.279 120 P C 0.336 177.638 177.300 0.004 0.000 1.252 120 P CA -0.579 62.524 63.100 0.006 0.000 0.811 120 P CB 1.013 32.715 31.700 0.004 0.000 1.035 121 I N -1.903 118.668 120.570 0.002 0.000 2.612 121 I HA 0.401 4.571 4.170 -0.000 0.000 0.295 121 I C 0.579 176.690 176.117 -0.010 0.000 1.011 121 I CA -0.612 60.687 61.300 -0.002 0.000 1.326 121 I CB 0.264 38.262 38.000 -0.003 0.000 1.427 121 I HN 0.403 nan 8.210 nan 0.000 0.537 122 G N 4.041 112.833 108.800 -0.013 0.000 2.852 122 G HA2 0.161 4.121 3.960 -0.000 0.000 0.280 122 G HA3 0.161 4.121 3.960 -0.000 0.000 0.280 122 G C 0.187 175.065 174.900 -0.037 0.000 0.731 122 G CA -0.376 44.712 45.100 -0.020 0.000 2.037 122 G HN 0.686 nan 8.290 nan 0.000 0.560 123 S N 1.500 117.179 115.700 -0.036 0.000 2.898 123 S HA 0.060 4.530 4.470 -0.000 0.000 0.324 123 S C 1.264 175.831 174.600 -0.054 0.000 1.171 123 S CA -0.026 58.144 58.200 -0.051 0.000 1.288 123 S CB 0.728 63.905 63.200 -0.037 0.000 1.490 123 S HN 0.674 nan 8.310 nan 0.000 0.570 124 K N 1.787 122.143 120.400 -0.074 0.000 2.161 124 K HA 0.263 4.583 4.320 -0.000 0.000 0.205 124 K C 0.879 177.432 176.600 -0.078 0.000 1.035 124 K CA 0.495 56.744 56.287 -0.063 0.000 0.970 124 K CB 0.158 32.625 32.500 -0.055 0.000 0.866 124 K HN 0.524 nan 8.250 nan 0.000 0.461 125 A N 1.589 124.325 122.820 -0.140 0.000 2.312 125 A HA 0.584 4.904 4.320 -0.000 0.000 0.328 125 A C -0.800 176.673 177.584 -0.184 0.000 1.158 125 A CA -0.542 51.399 52.037 -0.160 0.000 0.821 125 A CB 0.760 19.608 19.000 -0.253 0.000 1.170 125 A HN 0.186 nan 8.150 nan 0.000 0.490 126 R N 0.719 121.147 120.500 -0.120 0.000 2.574 126 R HA 0.517 4.857 4.340 -0.000 0.000 0.288 126 R C -0.762 175.502 176.300 -0.060 0.000 1.004 126 R CA -0.650 55.393 56.100 -0.095 0.000 0.895 126 R CB 2.685 32.952 30.300 -0.056 0.000 1.191 126 R HN 0.828 nan 8.270 nan 0.000 0.444 127 R N 1.793 122.262 120.500 -0.052 0.000 2.803 127 R HA 0.427 4.767 4.340 -0.000 0.000 0.276 127 R C -0.542 175.761 176.300 0.006 0.000 0.978 127 R CA -0.819 55.278 56.100 -0.005 0.000 0.939 127 R CB 1.623 31.933 30.300 0.016 0.000 1.179 127 R HN 0.502 nan 8.270 nan 0.000 0.472 128 R N 1.300 121.811 120.500 0.017 0.000 2.539 128 R HA 0.047 4.387 4.340 -0.000 0.000 0.275 128 R C 1.466 177.781 176.300 0.026 0.000 1.077 128 R CA -0.054 56.055 56.100 0.015 0.000 1.097 128 R CB 1.079 31.385 30.300 0.011 0.000 1.018 128 R HN 0.585 nan 8.270 nan 0.000 0.483 129 V N 0.345 120.272 119.914 0.022 0.000 2.453 129 V HA 0.077 4.197 4.120 -0.000 0.000 0.247 129 V C 0.926 177.027 176.094 0.011 0.000 1.048 129 V CA 1.388 63.711 62.300 0.038 0.000 1.049 129 V CB -0.364 31.480 31.823 0.035 0.000 0.672 129 V HN 0.740 nan 8.190 nan 0.000 0.457 130 G N 1.437 110.214 108.800 -0.038 0.000 2.475 130 G HA2 0.636 4.596 3.960 -0.000 0.000 0.322 130 G HA3 0.636 4.596 3.960 -0.000 0.000 0.322 130 G C -0.907 173.982 174.900 -0.018 0.000 1.044 130 G CA -0.371 44.685 45.100 -0.073 0.000 1.047 130 G HN 0.367 nan 8.290 nan 0.000 0.436 131 L N 1.139 122.369 121.223 0.011 0.000 2.409 131 L HA 0.502 4.842 4.340 -0.000 0.000 0.262 131 L C 0.128 177.020 176.870 0.036 0.000 0.992 131 L CA -1.169 53.688 54.840 0.028 0.000 0.817 131 L CB 2.915 45.000 42.059 0.043 0.000 1.350 131 L HN 0.373 nan 8.230 nan 0.000 0.411 132 K N 1.266 121.689 120.400 0.037 0.000 2.295 132 K HA 0.513 4.833 4.320 -0.000 0.000 0.270 132 K C -0.031 176.594 176.600 0.041 0.000 1.011 132 K CA -0.221 56.092 56.287 0.043 0.000 0.953 132 K CB 1.234 33.759 32.500 0.041 0.000 0.956 132 K HN 0.671 nan 8.250 nan 0.000 0.477 133 A N 4.785 127.629 122.820 0.042 0.000 2.425 133 A HA 0.258 4.578 4.320 -0.000 0.000 0.242 133 A C -2.084 175.505 177.584 0.008 0.000 1.077 133 A CA -1.130 50.925 52.037 0.030 0.000 0.781 133 A CB -0.444 18.575 19.000 0.032 0.000 1.020 133 A HN 0.677 nan 8.150 nan 0.000 0.494 134 P HA 0.131 nan 4.420 nan 0.000 0.267 134 P C 0.603 177.853 177.300 -0.082 0.000 1.200 134 P CA 0.402 63.468 63.100 -0.057 0.000 0.772 134 P CB 0.232 31.888 31.700 -0.074 0.000 0.855 135 G N 1.614 110.339 108.800 -0.125 0.000 2.771 135 G HA2 -0.054 3.905 3.960 -0.000 0.000 0.242 135 G HA3 -0.054 3.905 3.960 -0.000 0.000 0.242 135 G C 1.046 175.875 174.900 -0.118 0.000 1.233 135 G CA -0.518 44.514 45.100 -0.114 0.000 0.858 135 G HN 0.654 nan 8.290 nan 0.000 0.591 136 I N -0.061 120.462 120.570 -0.078 0.000 2.286 136 I HA -0.108 4.061 4.170 -0.000 0.000 0.245 136 I C 1.997 178.067 176.117 -0.079 0.000 1.104 136 I CA 0.746 62.009 61.300 -0.061 0.000 1.397 136 I CB 0.002 37.983 38.000 -0.032 0.000 1.072 136 I HN 0.316 nan 8.210 nan 0.000 0.417 137 I N 1.980 122.496 120.570 -0.090 0.000 2.286 137 I HA -0.068 4.102 4.170 -0.000 0.000 0.245 137 I C -0.464 175.561 176.117 -0.152 0.000 1.104 137 I CA 1.085 62.338 61.300 -0.079 0.000 1.397 137 I CB -2.934 35.045 38.000 -0.035 0.000 1.072 137 I HN 0.179 nan 8.210 nan 0.000 0.417 138 P HA -0.060 nan 4.420 nan 0.000 0.249 138 P C 0.129 177.221 177.300 -0.346 0.000 1.227 138 P CA 0.925 63.599 63.100 -0.710 0.000 0.753 138 P CB -0.053 30.893 31.700 -1.257 0.000 0.966 139 R N -0.978 119.421 120.500 -0.168 0.000 2.923 139 R HA 0.728 5.068 4.340 -0.000 0.000 0.252 139 R C -0.663 175.614 176.300 -0.037 0.000 1.130 139 R CA -1.034 55.015 56.100 -0.086 0.000 1.043 139 R CB 1.350 31.605 30.300 -0.075 0.000 1.205 139 R HN -0.127 nan 8.270 nan 0.000 0.495 140 I N -0.896 119.662 120.570 -0.021 0.000 3.095 140 I HA 0.245 4.415 4.170 -0.000 0.000 0.310 140 I C -0.808 175.299 176.117 -0.016 0.000 1.196 140 I CA -0.388 60.907 61.300 -0.008 0.000 0.985 140 I CB 2.608 40.613 38.000 0.008 0.000 1.250 140 I HN 0.541 nan 8.210 nan 0.000 0.446 141 S N 2.617 118.309 115.700 -0.013 0.000 2.552 141 S HA 0.260 4.729 4.470 -0.000 0.000 0.289 141 S C -0.309 174.276 174.600 -0.025 0.000 1.304 141 S CA -0.567 57.623 58.200 -0.017 0.000 1.063 141 S CB 0.266 63.459 63.200 -0.011 0.000 0.848 141 S HN 0.406 nan 8.310 nan 0.000 0.499 142 V N 4.832 124.727 119.914 -0.032 0.000 2.585 142 V HA 0.135 4.255 4.120 -0.000 0.000 0.296 142 V C 1.101 177.170 176.094 -0.041 0.000 1.035 142 V CA 0.609 62.882 62.300 -0.045 0.000 1.084 142 V CB 0.351 32.145 31.823 -0.047 0.000 0.953 142 V HN 0.891 nan 8.190 nan 0.000 0.483 143 R N 1.588 122.058 120.500 -0.050 0.000 3.749 143 R HA 0.199 4.539 4.340 -0.000 0.000 0.142 143 R C 0.027 176.293 176.300 -0.056 0.000 0.750 143 R CA -0.567 55.508 56.100 -0.042 0.000 1.004 143 R CB 0.146 30.427 30.300 -0.030 0.000 1.509 143 R HN 0.667 nan 8.270 nan 0.000 0.494 144 E N 4.047 124.204 120.200 -0.071 0.000 2.729 144 E HA -0.007 4.343 4.350 -0.000 0.000 0.246 144 E C -2.359 174.175 176.600 -0.109 0.000 0.984 144 E CA -1.001 55.346 56.400 -0.089 0.000 0.951 144 E CB 0.201 29.837 29.700 -0.107 0.000 0.914 144 E HN 0.018 nan 8.360 nan 0.000 0.509 145 P HA -0.007 nan 4.420 nan 0.000 0.271 145 P C -0.368 176.850 177.300 -0.137 0.000 1.218 145 P CA 0.005 63.045 63.100 -0.099 0.000 0.780 145 P CB 0.511 32.163 31.700 -0.080 0.000 0.901 146 M N 3.234 122.771 119.600 -0.105 0.000 2.480 146 M HA 0.125 4.605 4.480 -0.000 0.000 0.320 146 M C -0.590 175.681 176.300 -0.049 0.000 1.141 146 M CA -0.521 54.718 55.300 -0.103 0.000 1.102 146 M CB -0.004 32.547 32.600 -0.083 0.000 1.249 146 M HN 0.307 nan 8.290 nan 0.000 0.446 147 Q N 2.181 121.958 119.800 -0.038 0.000 2.244 147 Q HA 0.047 4.387 4.340 -0.000 0.000 0.276 147 Q C 1.383 177.446 176.000 0.106 0.000 1.122 147 Q CA 0.348 56.190 55.803 0.064 0.000 0.920 147 Q CB 0.305 29.151 28.738 0.180 0.000 1.186 147 Q HN 0.718 nan 8.270 nan 0.000 0.393 148 T N -0.790 113.799 114.554 0.060 0.000 2.851 148 T HA 0.089 4.439 4.350 -0.000 0.000 0.262 148 T C 1.286 176.019 174.700 0.055 0.000 1.043 148 T CA 0.875 63.005 62.100 0.050 0.000 1.140 148 T CB 0.139 69.019 68.868 0.021 0.000 0.872 148 T HN 0.739 nan 8.240 nan 0.000 0.446 149 G N 1.258 110.087 108.800 0.048 0.000 2.316 149 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.203 149 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.203 149 G C 0.047 174.955 174.900 0.014 0.000 0.999 149 G CA -0.230 44.888 45.100 0.031 0.000 0.649 149 G HN 0.619 nan 8.290 nan 0.000 0.489 150 I N 3.387 123.963 120.570 0.010 0.000 2.337 150 I HA 0.186 4.356 4.170 -0.000 0.000 0.291 150 I C 1.942 178.062 176.117 0.006 0.000 1.046 150 I CA -0.394 60.905 61.300 -0.001 0.000 1.324 150 I CB 1.392 39.387 38.000 -0.008 0.000 1.409 150 I HN 0.219 nan 8.210 nan 0.000 0.494 151 K N 6.392 126.796 120.400 0.006 0.000 2.152 151 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 151 K C 1.603 178.209 176.600 0.010 0.000 1.048 151 K CA 1.776 58.070 56.287 0.012 0.000 0.933 151 K CB -0.483 32.027 32.500 0.015 0.000 0.721 151 K HN 0.647 nan 8.250 nan 0.000 0.447 152 A N 1.459 124.282 122.820 0.005 0.000 1.972 152 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 152 A C 2.395 179.985 177.584 0.010 0.000 1.169 152 A CA 1.675 53.716 52.037 0.007 0.000 0.635 152 A CB -0.414 18.587 19.000 0.002 0.000 0.810 152 A HN 0.164 nan 8.150 nan 0.000 0.446 153 V N 0.008 119.926 119.914 0.006 0.000 2.341 153 V HA -0.112 4.008 4.120 -0.000 0.000 0.240 153 V C 1.982 178.080 176.094 0.006 0.000 1.035 153 V CA 1.659 63.962 62.300 0.005 0.000 1.033 153 V CB -0.819 31.003 31.823 -0.001 0.000 0.678 153 V HN 0.420 nan 8.190 nan 0.000 0.464 154 D N 0.947 121.353 120.400 0.009 0.000 2.228 154 D HA -0.145 4.495 4.640 -0.000 0.000 0.203 154 D C 2.335 178.642 176.300 0.011 0.000 0.988 154 D CA 1.873 55.880 54.000 0.011 0.000 0.864 154 D CB -0.108 40.704 40.800 0.020 0.000 0.928 154 D HN 0.615 nan 8.370 nan 0.000 0.469 155 S N -0.516 115.192 115.700 0.013 0.000 2.398 155 S HA 0.055 4.525 4.470 -0.000 0.000 0.220 155 S C 2.057 176.664 174.600 0.013 0.000 1.046 155 S CA 0.079 58.288 58.200 0.014 0.000 0.953 155 S CB -0.367 62.843 63.200 0.017 0.000 0.856 155 S HN 0.189 nan 8.310 nan 0.000 0.506 156 L N 0.985 122.216 121.223 0.014 0.000 2.408 156 L HA 0.364 4.704 4.340 -0.000 0.000 0.215 156 L C 0.013 176.894 176.870 0.017 0.000 1.081 156 L CA 0.169 55.019 54.840 0.017 0.000 0.840 156 L CB 0.370 42.442 42.059 0.022 0.000 1.002 156 L HN 0.186 nan 8.230 nan 0.000 0.468 157 V N 1.363 121.285 119.914 0.013 0.000 2.361 157 V HA 0.245 4.365 4.120 -0.000 0.000 0.252 157 V C -2.321 173.772 176.094 -0.001 0.000 0.986 157 V CA -1.352 60.953 62.300 0.008 0.000 1.033 157 V CB 0.277 32.105 31.823 0.009 0.000 1.282 157 V HN 0.004 nan 8.190 nan 0.000 0.514 158 P HA 0.219 nan 4.420 nan 0.000 0.268 158 P C -0.753 176.536 177.300 -0.018 0.000 1.205 158 P CA 0.266 63.361 63.100 -0.009 0.000 0.771 158 P CB 1.542 33.237 31.700 -0.008 0.000 0.858 159 I N 1.541 122.096 120.570 -0.025 0.000 2.530 159 I HA 0.554 4.724 4.170 -0.000 0.000 0.297 159 I C 0.921 177.009 176.117 -0.048 0.000 1.011 159 I CA -0.658 60.621 61.300 -0.036 0.000 1.107 159 I CB 1.436 39.414 38.000 -0.037 0.000 1.285 159 I HN 0.408 nan 8.210 nan 0.000 0.436 160 G N 4.166 112.932 108.800 -0.056 0.000 2.511 160 G HA2 0.595 4.555 3.960 -0.000 0.000 0.318 160 G HA3 0.595 4.555 3.960 -0.000 0.000 0.318 160 G C -0.608 174.236 174.900 -0.093 0.000 1.210 160 G CA -0.908 44.149 45.100 -0.073 0.000 0.969 160 G HN 0.498 nan 8.290 nan 0.000 0.484 161 R N -0.016 120.406 120.500 -0.129 0.000 2.296 161 R HA 0.448 4.788 4.340 -0.000 0.000 0.323 161 R C 0.777 176.988 176.300 -0.148 0.000 1.067 161 R CA 0.900 56.896 56.100 -0.173 0.000 0.946 161 R CB 0.793 30.914 30.300 -0.297 0.000 0.991 161 R HN 1.120 nan 8.270 nan 0.000 0.448 162 G N 2.040 110.775 108.800 -0.110 0.000 2.237 162 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.153 162 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.153 162 G C -0.368 174.498 174.900 -0.056 0.000 1.039 162 G CA -0.429 44.625 45.100 -0.077 0.000 0.719 162 G HN 0.567 nan 8.290 nan 0.000 0.491 163 Q N -0.843 118.924 119.800 -0.054 0.000 2.421 163 Q HA 0.740 5.080 4.340 -0.000 0.000 0.280 163 Q C -0.801 175.174 176.000 -0.041 0.000 1.085 163 Q CA -1.222 54.555 55.803 -0.044 0.000 0.807 163 Q CB 1.415 30.125 28.738 -0.047 0.000 1.405 163 Q HN 0.175 nan 8.270 nan 0.000 0.419 164 R N 2.076 122.554 120.500 -0.036 0.000 2.239 164 R HA 0.318 4.658 4.340 -0.000 0.000 0.332 164 R C -1.280 174.989 176.300 -0.050 0.000 0.988 164 R CA -0.496 55.581 56.100 -0.037 0.000 0.859 164 R CB 1.242 31.524 30.300 -0.030 0.000 1.148 164 R HN 0.419 nan 8.270 nan 0.000 0.482 165 E N 2.577 122.741 120.200 -0.059 0.000 2.133 165 E HA 0.292 4.642 4.350 -0.000 0.000 0.274 165 E C -1.338 175.208 176.600 -0.090 0.000 0.930 165 E CA -0.914 55.442 56.400 -0.072 0.000 0.770 165 E CB 0.904 30.565 29.700 -0.065 0.000 1.104 165 E HN 0.325 nan 8.360 nan 0.000 0.403 166 L N 5.641 126.792 121.223 -0.119 0.000 2.292 166 L HA 0.494 4.834 4.340 -0.000 0.000 0.284 166 L C -0.922 175.845 176.870 -0.172 0.000 1.065 166 L CA -0.086 54.667 54.840 -0.144 0.000 0.806 166 L CB 0.759 42.716 42.059 -0.170 0.000 1.175 166 L HN 0.656 nan 8.230 nan 0.000 0.431 167 I N 7.155 127.642 120.570 -0.139 0.000 2.337 167 I HA 0.352 4.522 4.170 -0.000 0.000 0.285 167 I C -0.350 175.688 176.117 -0.131 0.000 1.041 167 I CA -0.155 61.070 61.300 -0.126 0.000 1.199 167 I CB 0.913 38.870 38.000 -0.071 0.000 1.370 167 I HN 0.563 nan 8.210 nan 0.000 0.470 168 I N 5.579 126.038 120.570 -0.185 0.000 2.474 168 I HA 0.871 5.041 4.170 -0.000 0.000 0.294 168 I C -0.116 175.975 176.117 -0.043 0.000 1.005 168 I CA 0.004 61.223 61.300 -0.135 0.000 1.113 168 I CB 1.760 39.636 38.000 -0.206 0.000 1.289 168 I HN 0.652 nan 8.210 nan 0.000 0.436 169 G N 4.989 113.797 108.800 0.014 0.000 2.441 169 G HA2 0.239 4.199 3.960 -0.000 0.000 0.294 169 G HA3 0.239 4.199 3.960 -0.000 0.000 0.294 169 G C -1.922 173.005 174.900 0.045 0.000 1.393 169 G CA -0.622 44.513 45.100 0.058 0.000 0.796 169 G HN 0.501 nan 8.290 nan 0.000 0.494 170 D N -0.278 120.150 120.400 0.047 0.000 2.440 170 D HA 0.441 5.081 4.640 -0.000 0.000 0.269 170 D C 1.046 177.354 176.300 0.013 0.000 1.249 170 D CA -0.325 53.696 54.000 0.034 0.000 1.055 170 D CB 0.367 41.190 40.800 0.038 0.000 1.104 170 D HN 0.646 nan 8.370 nan 0.000 0.561 171 R N 0.296 120.801 120.500 0.008 0.000 2.543 171 R HA 0.143 4.483 4.340 -0.000 0.000 0.277 171 R C -0.362 175.913 176.300 -0.042 0.000 1.074 171 R CA -0.339 55.757 56.100 -0.006 0.000 1.076 171 R CB 0.258 30.560 30.300 0.003 0.000 0.993 171 R HN 0.153 nan 8.270 nan 0.000 0.459 172 Q N 0.361 120.123 119.800 -0.063 0.000 2.468 172 Q HA -0.170 4.170 4.340 -0.000 0.000 0.289 172 Q C 0.374 176.235 176.000 -0.230 0.000 1.299 172 Q CA 1.620 57.336 55.803 -0.145 0.000 0.838 172 Q CB -1.720 26.918 28.738 -0.167 0.000 1.195 172 Q HN 1.041 nan 8.270 nan 0.000 0.456 173 T N -5.726 108.763 114.554 -0.108 0.000 3.034 173 T HA 0.399 4.749 4.350 -0.000 0.000 0.248 173 T C 1.286 176.024 174.700 0.063 0.000 1.040 173 T CA 1.042 63.113 62.100 -0.048 0.000 1.107 173 T CB 0.905 69.783 68.868 0.018 0.000 0.932 173 T HN 0.799 nan 8.240 nan 0.000 0.474 174 G N 1.220 110.044 108.800 0.040 0.000 2.200 174 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.145 174 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.145 174 G C 0.707 175.632 174.900 0.041 0.000 1.021 174 G CA 0.155 45.303 45.100 0.080 0.000 0.720 174 G HN 0.448 nan 8.290 nan 0.000 0.494 175 K N 0.180 120.597 120.400 0.028 0.000 2.001 175 K HA -0.158 4.162 4.320 -0.000 0.000 0.223 175 K C 2.516 179.134 176.600 0.031 0.000 1.055 175 K CA 2.327 58.625 56.287 0.018 0.000 0.965 175 K CB -0.594 31.912 32.500 0.011 0.000 0.730 175 K HN 0.271 nan 8.250 nan 0.000 0.449 176 T N 1.043 115.628 114.554 0.051 0.000 2.737 176 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 176 T C 2.134 176.865 174.700 0.051 0.000 1.040 176 T CA 1.720 63.873 62.100 0.090 0.000 1.142 176 T CB -0.293 68.640 68.868 0.109 0.000 0.861 176 T HN 0.190 nan 8.240 nan 0.000 0.456 177 S N 1.102 116.811 115.700 0.016 0.000 2.383 177 S HA -0.050 4.420 4.470 -0.000 0.000 0.229 177 S C 2.030 176.611 174.600 -0.030 0.000 1.030 177 S CA 0.752 58.933 58.200 -0.032 0.000 1.002 177 S CB -0.357 62.807 63.200 -0.059 0.000 0.829 177 S HN 0.357 nan 8.310 nan 0.000 0.467 178 I N 1.952 122.517 120.570 -0.009 0.000 2.264 178 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 178 I C 2.654 178.774 176.117 0.006 0.000 1.111 178 I CA 1.258 62.553 61.300 -0.009 0.000 1.382 178 I CB -1.770 36.226 38.000 -0.006 0.000 1.060 178 I HN 0.240 nan 8.210 nan 0.000 0.418 179 A N 1.432 124.269 122.820 0.029 0.000 1.855 179 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 179 A C 2.239 179.853 177.584 0.050 0.000 1.191 179 A CA 1.137 53.207 52.037 0.056 0.000 0.613 179 A CB -0.573 18.503 19.000 0.126 0.000 0.829 179 A HN 0.228 nan 8.150 nan 0.000 0.442 180 I N 0.812 121.398 120.570 0.026 0.000 2.118 180 I HA -0.264 3.906 4.170 -0.000 0.000 0.241 180 I C 1.951 178.085 176.117 0.028 0.000 1.070 180 I CA 2.110 63.410 61.300 0.001 0.000 1.327 180 I CB -1.861 36.134 38.000 -0.009 0.000 1.034 180 I HN 0.293 nan 8.210 nan 0.000 0.405 181 D N 0.538 120.946 120.400 0.012 0.000 2.158 181 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 181 D C 2.191 178.512 176.300 0.035 0.000 0.995 181 D CA 1.693 55.703 54.000 0.018 0.000 0.846 181 D CB -0.275 40.511 40.800 -0.022 0.000 0.941 181 D HN 0.280 nan 8.370 nan 0.000 0.456 182 T N 0.332 114.907 114.554 0.035 0.000 2.720 182 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 182 T C 2.093 176.842 174.700 0.080 0.000 1.037 182 T CA 0.702 62.832 62.100 0.050 0.000 1.144 182 T CB -0.244 68.646 68.868 0.037 0.000 0.864 182 T HN 0.183 nan 8.240 nan 0.000 0.444 183 I N 0.776 121.399 120.570 0.089 0.000 2.226 183 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 183 I C 2.188 178.422 176.117 0.194 0.000 1.100 183 I CA 0.833 62.220 61.300 0.146 0.000 1.374 183 I CB -0.410 37.654 38.000 0.105 0.000 1.057 183 I HN 0.191 nan 8.210 nan 0.000 0.413 184 I N 0.975 121.617 120.570 0.119 0.000 2.127 184 I HA -0.316 3.854 4.170 -0.000 0.000 0.241 184 I C 2.330 178.497 176.117 0.084 0.000 1.075 184 I CA 1.766 63.133 61.300 0.113 0.000 1.334 184 I CB -1.802 36.243 38.000 0.075 0.000 1.040 184 I HN 0.328 nan 8.210 nan 0.000 0.405 185 N N 0.992 119.714 118.700 0.036 0.000 2.192 185 N HA -0.236 4.504 4.740 -0.000 0.000 0.188 185 N C 1.721 177.139 175.510 -0.153 0.000 1.013 185 N CA 1.219 54.240 53.050 -0.047 0.000 0.863 185 N CB 0.002 38.495 38.487 0.010 0.000 0.990 185 N HN 0.268 nan 8.380 nan 0.000 0.430 186 Q N 0.451 120.245 119.800 -0.011 0.000 2.291 186 Q HA -0.142 4.198 4.340 -0.000 0.000 0.206 186 Q C 1.745 177.529 176.000 -0.360 0.000 0.976 186 Q CA 0.827 56.599 55.803 -0.052 0.000 0.875 186 Q CB -0.318 28.384 28.738 -0.059 0.000 0.927 186 Q HN 0.546 nan 8.270 nan 0.000 0.450 187 K N 0.937 121.200 120.400 -0.229 0.000 2.113 187 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 187 K C 1.983 178.408 176.600 -0.291 0.000 1.047 187 K CA 1.034 57.222 56.287 -0.165 0.000 0.928 187 K CB 0.102 32.654 32.500 0.086 0.000 0.716 187 K HN 0.100 nan 8.250 nan 0.000 0.446 188 R N -0.329 119.888 120.500 -0.472 0.000 2.103 188 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 188 R C 2.289 178.303 176.300 -0.475 0.000 1.132 188 R CA 2.433 58.196 56.100 -0.561 0.000 0.925 188 R CB -0.635 29.118 30.300 -0.913 0.000 0.842 188 R HN 0.203 nan 8.270 nan 0.000 0.430 189 F N 0.938 120.801 119.950 -0.145 0.000 2.171 189 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 189 F C 2.000 177.678 175.800 -0.203 0.000 1.090 189 F CA 0.717 58.622 58.000 -0.158 0.000 1.293 189 F CB -0.748 38.151 39.000 -0.168 0.000 1.013 189 F HN 0.005 nan 8.300 nan 0.000 0.486 190 N N -0.014 118.585 118.700 -0.167 0.000 2.520 190 N HA -0.119 4.621 4.740 -0.000 0.000 0.185 190 N C 0.940 176.367 175.510 -0.138 0.000 1.068 190 N CA 0.991 53.883 53.050 -0.264 0.000 0.911 190 N CB -0.353 37.776 38.487 -0.597 0.000 0.961 190 N HN 0.330 nan 8.380 nan 0.000 0.446 191 D N -0.683 119.651 120.400 -0.110 0.000 2.392 191 D HA 0.116 4.756 4.640 -0.000 0.000 0.206 191 D C 1.162 177.435 176.300 -0.044 0.000 1.046 191 D CA 0.198 54.163 54.000 -0.059 0.000 0.865 191 D CB 0.423 41.187 40.800 -0.060 0.000 0.969 191 D HN 0.115 nan 8.370 nan 0.000 0.509 192 G N -0.058 108.715 108.800 -0.045 0.000 2.525 192 G HA2 0.287 4.247 3.960 -0.000 0.000 0.287 192 G HA3 0.287 4.247 3.960 -0.000 0.000 0.287 192 G C 0.857 175.751 174.900 -0.012 0.000 1.350 192 G CA 0.031 45.118 45.100 -0.021 0.000 1.039 192 G HN 0.077 nan 8.290 nan 0.000 0.513 193 T N -2.395 112.156 114.554 -0.005 0.000 3.163 193 T HA 0.149 4.499 4.350 -0.000 0.000 0.252 193 T C 0.343 175.040 174.700 -0.005 0.000 1.056 193 T CA -0.091 62.007 62.100 -0.004 0.000 0.947 193 T CB 0.259 69.125 68.868 -0.003 0.000 1.016 193 T HN 0.319 nan 8.240 nan 0.000 0.554 194 D N 1.866 122.266 120.400 0.002 0.000 2.483 194 D HA 0.158 4.798 4.640 -0.000 0.000 0.220 194 D C 0.561 176.843 176.300 -0.030 0.000 1.173 194 D CA -0.033 53.965 54.000 -0.003 0.000 0.964 194 D CB 0.856 41.671 40.800 0.026 0.000 1.046 194 D HN 0.176 nan 8.370 nan 0.000 0.517 195 E N 1.509 121.685 120.200 -0.041 0.000 2.153 195 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 195 E C 1.458 177.988 176.600 -0.117 0.000 0.988 195 E CA 1.088 57.450 56.400 -0.063 0.000 0.811 195 E CB 0.245 29.921 29.700 -0.040 0.000 0.746 195 E HN 0.196 nan 8.360 nan 0.000 0.466 196 K N 0.161 120.498 120.400 -0.105 0.000 2.288 196 K HA 0.023 4.343 4.320 -0.000 0.000 0.201 196 K C 1.540 178.061 176.600 -0.132 0.000 1.048 196 K CA 0.871 57.075 56.287 -0.138 0.000 0.956 196 K CB 0.155 32.617 32.500 -0.063 0.000 0.746 196 K HN -0.010 nan 8.250 nan 0.000 0.461 197 K N 0.235 120.556 120.400 -0.131 0.000 2.323 197 K HA 0.086 4.405 4.320 -0.000 0.000 0.197 197 K C -0.134 176.333 176.600 -0.223 0.000 1.043 197 K CA 0.103 56.253 56.287 -0.229 0.000 0.997 197 K CB 0.325 32.657 32.500 -0.278 0.000 0.807 197 K HN -0.011 nan 8.250 nan 0.000 0.497 198 K N 1.730 122.035 120.400 -0.159 0.000 2.511 198 K HA -0.025 4.295 4.320 -0.000 0.000 0.280 198 K C -0.633 175.790 176.600 -0.296 0.000 1.008 198 K CA 0.170 56.316 56.287 -0.235 0.000 1.050 198 K CB 0.345 32.663 32.500 -0.303 0.000 0.889 198 K HN -0.103 nan 8.250 nan 0.000 0.484 199 L N 4.994 126.011 121.223 -0.344 0.000 2.404 199 L HA 0.306 4.646 4.340 -0.000 0.000 0.272 199 L C -1.440 175.205 176.870 -0.376 0.000 0.980 199 L CA -0.534 54.156 54.840 -0.251 0.000 0.836 199 L CB 0.819 42.811 42.059 -0.111 0.000 1.238 199 L HN 0.403 nan 8.230 nan 0.000 0.408 200 Y N 3.043 123.223 120.300 -0.200 0.000 2.300 200 Y HA 0.565 5.115 4.550 -0.000 0.000 0.328 200 Y C 0.503 176.325 175.900 -0.129 0.000 1.270 200 Y CA -0.069 57.894 58.100 -0.227 0.000 1.352 200 Y CB 1.077 39.123 38.460 -0.691 0.000 1.286 200 Y HN 0.569 nan 8.280 nan 0.000 0.536 201 C N 2.522 121.926 119.300 0.172 0.000 2.802 201 C HA 0.763 5.223 4.460 -0.000 0.000 0.307 201 C C -0.778 174.265 174.990 0.088 0.000 1.222 201 C CA -1.061 58.025 59.018 0.114 0.000 1.580 201 C CB 0.928 28.776 27.740 0.180 0.000 2.119 201 C HN 0.542 nan 8.230 nan 0.000 0.479 202 I N 1.632 122.234 120.570 0.054 0.000 2.534 202 I HA 0.363 4.533 4.170 -0.000 0.000 0.288 202 I C -0.978 175.172 176.117 0.055 0.000 1.077 202 I CA -0.315 61.020 61.300 0.059 0.000 1.051 202 I CB 1.205 39.227 38.000 0.036 0.000 1.234 202 I HN 0.678 nan 8.210 nan 0.000 0.425 203 Y N 6.484 126.762 120.300 -0.037 0.000 2.328 203 Y HA 0.756 5.306 4.550 -0.000 0.000 0.336 203 Y C -1.031 174.854 175.900 -0.026 0.000 0.960 203 Y CA -0.825 57.246 58.100 -0.049 0.000 1.134 203 Y CB 1.340 39.783 38.460 -0.028 0.000 1.166 203 Y HN 0.318 nan 8.280 nan 0.000 0.464 204 V N 5.939 125.585 119.914 -0.448 0.000 2.398 204 V HA 0.772 4.892 4.120 -0.000 0.000 0.286 204 V C -0.207 175.639 176.094 -0.413 0.000 1.026 204 V CA -0.634 61.510 62.300 -0.259 0.000 0.868 204 V CB 1.106 32.875 31.823 -0.091 0.000 0.982 204 V HN 0.910 nan 8.190 nan 0.000 0.443 205 A N 6.592 129.321 122.820 -0.151 0.000 2.303 205 A HA 0.898 5.218 4.320 -0.000 0.000 0.320 205 A C -0.746 176.829 177.584 -0.015 0.000 1.192 205 A CA -0.467 51.532 52.037 -0.063 0.000 0.821 205 A CB 0.574 19.644 19.000 0.117 0.000 1.188 205 A HN 0.776 nan 8.150 nan 0.000 0.492 206 I N 2.144 122.705 120.570 -0.015 0.000 2.499 206 I HA 0.524 4.694 4.170 -0.000 0.000 0.288 206 I C 1.150 177.282 176.117 0.025 0.000 1.048 206 I CA 0.087 61.392 61.300 0.009 0.000 1.062 206 I CB 1.974 39.974 38.000 0.001 0.000 1.238 206 I HN 1.023 nan 8.210 nan 0.000 0.426 207 G N 4.245 113.066 108.800 0.034 0.000 2.377 207 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.250 207 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.250 207 G C 0.436 175.360 174.900 0.039 0.000 1.039 207 G CA -0.036 45.087 45.100 0.037 0.000 0.625 207 G HN 0.619 nan 8.290 nan 0.000 0.526 208 Q N 1.068 120.896 119.800 0.046 0.000 2.474 208 Q HA 0.375 4.715 4.340 -0.000 0.000 0.256 208 Q C 0.801 176.830 176.000 0.049 0.000 1.048 208 Q CA 0.665 56.501 55.803 0.055 0.000 0.922 208 Q CB 0.373 29.159 28.738 0.081 0.000 1.288 208 Q HN 0.719 nan 8.270 nan 0.000 0.484 209 K N 0.639 121.066 120.400 0.045 0.000 2.118 209 K HA 0.240 4.560 4.320 -0.000 0.000 0.264 209 K C 0.352 176.976 176.600 0.041 0.000 1.000 209 K CA -0.572 55.738 56.287 0.038 0.000 0.929 209 K CB 1.093 33.611 32.500 0.031 0.000 1.021 209 K HN 0.414 nan 8.250 nan 0.000 0.463 210 R N 0.879 121.400 120.500 0.035 0.000 2.127 210 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 210 R C 2.044 178.360 176.300 0.027 0.000 1.134 210 R CA 1.790 57.909 56.100 0.033 0.000 0.975 210 R CB -0.352 29.964 30.300 0.027 0.000 0.865 210 R HN 0.713 nan 8.270 nan 0.000 0.447 211 S N 0.136 115.850 115.700 0.024 0.000 2.359 211 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 211 S C 1.964 176.576 174.600 0.019 0.000 1.035 211 S CA 2.003 60.214 58.200 0.019 0.000 1.018 211 S CB -0.383 62.828 63.200 0.018 0.000 0.876 211 S HN 0.389 nan 8.310 nan 0.000 0.448 212 T N 2.242 116.812 114.554 0.027 0.000 2.737 212 T HA -0.032 4.318 4.350 -0.000 0.000 0.265 212 T C 1.989 176.703 174.700 0.024 0.000 1.038 212 T CA 1.244 63.362 62.100 0.029 0.000 1.144 212 T CB -0.486 68.408 68.868 0.043 0.000 0.866 212 T HN 0.219 nan 8.240 nan 0.000 0.434 213 V N 1.841 121.778 119.914 0.040 0.000 2.469 213 V HA -0.166 3.954 4.120 -0.000 0.000 0.251 213 V C 2.846 178.945 176.094 0.008 0.000 1.064 213 V CA 1.568 63.894 62.300 0.042 0.000 1.066 213 V CB -1.289 30.577 31.823 0.071 0.000 0.667 213 V HN 0.525 nan 8.190 nan 0.000 0.461 214 A N -0.332 122.493 122.820 0.008 0.000 1.855 214 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 214 A C 2.213 179.786 177.584 -0.019 0.000 1.191 214 A CA 1.409 53.444 52.037 -0.004 0.000 0.613 214 A CB -0.461 18.540 19.000 0.001 0.000 0.829 214 A HN 0.516 nan 8.150 nan 0.000 0.442 215 Q N -0.387 119.404 119.800 -0.016 0.000 2.181 215 Q HA -0.144 4.196 4.340 -0.000 0.000 0.205 215 Q C 2.079 178.053 176.000 -0.044 0.000 0.980 215 Q CA 0.912 56.700 55.803 -0.024 0.000 0.862 215 Q CB -0.652 28.081 28.738 -0.008 0.000 0.905 215 Q HN 0.577 nan 8.270 nan 0.000 0.429 216 L N 1.103 122.294 121.223 -0.053 0.000 1.961 216 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 216 L C 2.537 179.337 176.870 -0.117 0.000 1.072 216 L CA 2.015 56.792 54.840 -0.106 0.000 0.749 216 L CB -1.119 40.845 42.059 -0.158 0.000 0.889 216 L HN 0.215 nan 8.230 nan 0.000 0.432 217 V N -1.702 118.157 119.914 -0.093 0.000 2.392 217 V HA -0.246 3.874 4.120 -0.000 0.000 0.249 217 V C 2.660 178.707 176.094 -0.079 0.000 1.059 217 V CA 1.960 64.210 62.300 -0.083 0.000 1.051 217 V CB -1.026 30.769 31.823 -0.047 0.000 0.658 217 V HN 0.435 nan 8.190 nan 0.000 0.455 218 K N 0.864 121.223 120.400 -0.068 0.000 2.057 218 K HA -0.244 4.076 4.320 -0.000 0.000 0.207 218 K C 2.416 178.961 176.600 -0.091 0.000 1.049 218 K CA 2.133 58.379 56.287 -0.068 0.000 0.931 218 K CB -0.267 32.199 32.500 -0.056 0.000 0.714 218 K HN 0.489 nan 8.250 nan 0.000 0.440 219 R N 1.082 121.519 120.500 -0.104 0.000 2.073 219 R HA -0.005 4.335 4.340 -0.000 0.000 0.234 219 R C 2.420 178.646 176.300 -0.124 0.000 1.134 219 R CA 1.342 57.359 56.100 -0.138 0.000 0.952 219 R CB -0.695 29.534 30.300 -0.119 0.000 0.850 219 R HN 0.227 nan 8.270 nan 0.000 0.433 220 L N -0.329 120.826 121.223 -0.114 0.000 2.083 220 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 220 L C 2.094 178.889 176.870 -0.124 0.000 1.083 220 L CA 1.853 56.619 54.840 -0.123 0.000 0.752 220 L CB -0.594 41.376 42.059 -0.149 0.000 0.899 220 L HN 0.318 nan 8.230 nan 0.000 0.433 221 T N -1.200 113.290 114.554 -0.107 0.000 2.777 221 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 221 T C 1.387 176.038 174.700 -0.083 0.000 1.040 221 T CA 1.280 63.326 62.100 -0.091 0.000 1.141 221 T CB -0.199 68.626 68.868 -0.071 0.000 0.868 221 T HN 0.296 nan 8.240 nan 0.000 0.444 222 D N 1.609 121.953 120.400 -0.092 0.000 2.178 222 D HA 0.009 4.649 4.640 -0.000 0.000 0.201 222 D C 2.068 178.318 176.300 -0.084 0.000 0.980 222 D CA 1.032 54.977 54.000 -0.091 0.000 0.842 222 D CB -0.304 40.423 40.800 -0.123 0.000 0.948 222 D HN 0.437 nan 8.370 nan 0.000 0.472 223 A N 0.120 122.888 122.820 -0.087 0.000 2.218 223 A HA 0.019 4.339 4.320 -0.000 0.000 0.209 223 A C 0.815 178.369 177.584 -0.051 0.000 1.168 223 A CA 0.869 52.870 52.037 -0.060 0.000 0.804 223 A CB 0.023 18.997 19.000 -0.044 0.000 0.834 223 A HN 0.088 nan 8.150 nan 0.000 0.482 224 D N -2.928 117.428 120.400 -0.072 0.000 3.059 224 D HA -0.238 4.401 4.640 -0.000 0.000 0.220 224 D C 0.982 177.205 176.300 -0.128 0.000 1.169 224 D CA 1.308 55.266 54.000 -0.071 0.000 0.902 224 D CB -1.366 39.418 40.800 -0.026 0.000 1.116 224 D HN 0.533 nan 8.370 nan 0.000 0.417 225 A N -0.545 122.150 122.820 -0.207 0.000 2.014 225 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 225 A C 2.196 179.248 177.584 -0.886 0.000 1.163 225 A CA 1.295 53.016 52.037 -0.526 0.000 0.652 225 A CB -0.279 18.563 19.000 -0.264 0.000 0.808 225 A HN 0.347 nan 8.150 nan 0.000 0.449 226 M N 0.881 120.226 119.600 -0.425 0.000 2.260 226 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 226 M C 1.999 178.136 176.300 -0.272 0.000 1.066 226 M CA 1.979 57.098 55.300 -0.302 0.000 1.082 226 M CB -0.939 31.567 32.600 -0.158 0.000 1.388 226 M HN 0.718 nan 8.290 nan 0.000 0.419 227 K N 0.231 120.483 120.400 -0.246 0.000 2.442 227 K HA -0.179 4.141 4.320 -0.000 0.000 0.199 227 K C 0.525 177.166 176.600 0.069 0.000 1.044 227 K CA 1.439 57.696 56.287 -0.051 0.000 0.941 227 K CB -0.507 32.015 32.500 0.037 0.000 0.759 227 K HN 0.557 nan 8.250 nan 0.000 0.472 228 Y N -1.580 118.769 120.300 0.083 0.000 2.768 228 Y HA 0.431 4.981 4.550 -0.000 0.000 0.249 228 Y C -0.717 175.255 175.900 0.121 0.000 1.146 228 Y CA -1.117 57.072 58.100 0.148 0.000 1.171 228 Y CB 0.112 38.622 38.460 0.084 0.000 1.249 228 Y HN -0.191 nan 8.280 nan 0.000 0.567 229 T N 3.098 117.613 114.554 -0.064 0.000 2.824 229 T HA 0.622 4.971 4.350 -0.000 0.000 0.282 229 T C -0.435 174.284 174.700 0.033 0.000 0.993 229 T CA -0.373 61.719 62.100 -0.013 0.000 0.967 229 T CB 1.834 70.616 68.868 -0.142 0.000 0.960 229 T HN 0.184 nan 8.240 nan 0.000 0.441 230 I N 2.499 123.118 120.570 0.081 0.000 2.412 230 I HA 0.519 4.689 4.170 -0.000 0.000 0.296 230 I C -0.546 175.627 176.117 0.092 0.000 0.987 230 I CA -1.109 60.243 61.300 0.088 0.000 1.180 230 I CB 1.754 39.825 38.000 0.118 0.000 1.340 230 I HN 0.244 nan 8.210 nan 0.000 0.455 231 V N 6.933 126.898 119.914 0.086 0.000 2.376 231 V HA 0.289 4.408 4.120 -0.000 0.000 0.287 231 V C -0.071 176.084 176.094 0.102 0.000 1.015 231 V CA -0.670 61.703 62.300 0.121 0.000 0.834 231 V CB 1.703 33.590 31.823 0.106 0.000 1.001 231 V HN 0.401 nan 8.190 nan 0.000 0.428 232 V N 3.932 123.904 119.914 0.096 0.000 2.383 232 V HA 0.534 4.654 4.120 -0.000 0.000 0.275 232 V C 0.345 176.481 176.094 0.071 0.000 1.036 232 V CA 0.036 62.378 62.300 0.070 0.000 0.889 232 V CB 1.613 33.469 31.823 0.055 0.000 0.985 232 V HN 0.833 nan 8.190 nan 0.000 0.459 233 S N 3.490 119.232 115.700 0.069 0.000 2.500 233 S HA 0.836 5.306 4.470 -0.000 0.000 0.301 233 S C -0.319 174.313 174.600 0.054 0.000 1.092 233 S CA -0.083 58.158 58.200 0.069 0.000 1.030 233 S CB 1.565 64.811 63.200 0.077 0.000 1.031 233 S HN 1.106 nan 8.310 nan 0.000 0.483 234 A N 3.541 126.389 122.820 0.046 0.000 2.984 234 A HA 0.538 4.858 4.320 -0.000 0.000 0.320 234 A C 0.244 177.850 177.584 0.037 0.000 1.142 234 A CA -0.632 51.429 52.037 0.040 0.000 0.772 234 A CB -0.145 18.877 19.000 0.036 0.000 1.195 234 A HN 0.869 nan 8.150 nan 0.000 0.459 235 T N -1.210 113.368 114.554 0.039 0.000 2.726 235 T HA 0.477 4.827 4.350 -0.000 0.000 0.294 235 T C 1.572 176.290 174.700 0.029 0.000 1.013 235 T CA 0.151 62.273 62.100 0.037 0.000 0.996 235 T CB 0.924 69.814 68.868 0.036 0.000 1.016 235 T HN 1.196 nan 8.240 nan 0.000 0.529 236 A N 0.728 123.565 122.820 0.028 0.000 2.019 236 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 236 A C 2.427 180.020 177.584 0.016 0.000 1.164 236 A CA 1.573 53.623 52.037 0.023 0.000 0.644 236 A CB -1.316 17.698 19.000 0.023 0.000 0.805 236 A HN 0.938 nan 8.150 nan 0.000 0.449 237 S N 0.148 115.857 115.700 0.016 0.000 2.561 237 S HA 0.019 4.489 4.470 -0.000 0.000 0.225 237 S C -0.082 174.524 174.600 0.009 0.000 0.977 237 S CA 0.095 58.302 58.200 0.012 0.000 0.926 237 S CB -0.245 62.963 63.200 0.014 0.000 0.769 237 S HN 0.504 nan 8.310 nan 0.000 0.533 238 D N 2.267 122.673 120.400 0.011 0.000 2.255 238 D HA 0.600 5.240 4.640 -0.000 0.000 0.249 238 D C 0.225 176.517 176.300 -0.014 0.000 1.078 238 D CA -0.197 53.806 54.000 0.005 0.000 0.896 238 D CB 1.132 41.940 40.800 0.014 0.000 1.194 238 D HN 0.273 nan 8.370 nan 0.000 0.429 239 A N 1.388 124.186 122.820 -0.037 0.000 2.507 239 A HA 0.344 4.664 4.320 -0.000 0.000 0.235 239 A C 1.472 179.003 177.584 -0.088 0.000 1.070 239 A CA 0.461 52.454 52.037 -0.073 0.000 0.768 239 A CB 0.129 19.062 19.000 -0.112 0.000 1.011 239 A HN 0.641 nan 8.150 nan 0.000 0.502 240 A N 3.096 125.871 122.820 -0.077 0.000 1.892 240 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 240 A C 0.255 177.808 177.584 -0.052 0.000 1.188 240 A CA 2.042 54.055 52.037 -0.041 0.000 0.631 240 A CB -1.664 17.309 19.000 -0.044 0.000 0.822 240 A HN 0.720 nan 8.150 nan 0.000 0.447 241 P HA -0.163 nan 4.420 nan 0.000 0.218 241 P C 1.563 178.736 177.300 -0.212 0.000 1.148 241 P CA 1.113 64.040 63.100 -0.287 0.000 0.822 241 P CB -0.213 31.007 31.700 -0.800 0.000 0.784 242 L N -0.504 120.547 121.223 -0.286 0.000 2.027 242 L HA -0.140 4.200 4.340 -0.000 0.000 0.206 242 L C 2.947 179.829 176.870 0.021 0.000 1.074 242 L CA 1.492 56.271 54.840 -0.101 0.000 0.745 242 L CB -1.110 40.913 42.059 -0.060 0.000 0.898 242 L HN -0.031 nan 8.230 nan 0.000 0.433 243 Q N -1.051 118.768 119.800 0.032 0.000 2.226 243 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 243 Q C 1.998 178.069 176.000 0.118 0.000 0.975 243 Q CA 1.593 57.435 55.803 0.065 0.000 0.866 243 Q CB -0.166 28.608 28.738 0.061 0.000 0.915 243 Q HN 0.541 nan 8.270 nan 0.000 0.440 244 Y N 0.488 120.802 120.300 0.024 0.000 2.286 244 Y HA -0.071 4.479 4.550 -0.000 0.000 0.293 244 Y C 1.613 177.618 175.900 0.175 0.000 1.124 244 Y CA 0.972 59.122 58.100 0.085 0.000 1.178 244 Y CB 0.006 38.512 38.460 0.076 0.000 1.010 244 Y HN -0.038 nan 8.280 nan 0.000 0.536 245 L N -0.297 120.949 121.223 0.039 0.000 2.162 245 L HA 0.020 4.360 4.340 -0.000 0.000 0.205 245 L C 2.799 179.718 176.870 0.082 0.000 1.086 245 L CA 0.723 55.581 54.840 0.029 0.000 0.778 245 L CB -0.900 41.234 42.059 0.126 0.000 0.928 245 L HN 0.318 nan 8.230 nan 0.000 0.446 246 A N 1.550 124.402 122.820 0.054 0.000 1.923 246 A HA -0.235 4.085 4.320 -0.000 0.000 0.222 246 A C -0.021 177.574 177.584 0.017 0.000 1.258 246 A CA 2.634 54.695 52.037 0.040 0.000 0.670 246 A CB -2.125 16.892 19.000 0.028 0.000 0.834 246 A HN 0.328 nan 8.150 nan 0.000 0.470 247 P HA -0.130 nan 4.420 nan 0.000 0.221 247 P C 0.960 178.137 177.300 -0.206 0.000 1.150 247 P CA 1.314 64.326 63.100 -0.147 0.000 0.800 247 P CB -0.223 31.165 31.700 -0.520 0.000 0.787 248 Y N 1.673 121.893 120.300 -0.135 0.000 2.206 248 Y HA -0.144 4.406 4.550 -0.000 0.000 0.292 248 Y C 3.096 178.982 175.900 -0.023 0.000 1.123 248 Y CA 1.906 59.934 58.100 -0.119 0.000 1.142 248 Y CB -1.317 37.016 38.460 -0.212 0.000 1.006 248 Y HN 0.045 nan 8.280 nan 0.000 0.518 249 S N -0.480 115.308 115.700 0.147 0.000 2.359 249 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 249 S C 2.399 177.058 174.600 0.098 0.000 1.035 249 S CA 1.209 59.472 58.200 0.105 0.000 1.018 249 S CB -1.463 61.791 63.200 0.090 0.000 0.876 249 S HN 0.473 nan 8.310 nan 0.000 0.448 250 G N 0.441 109.301 108.800 0.100 0.000 2.442 250 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 250 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 250 G C 1.743 176.716 174.900 0.121 0.000 1.141 250 G CA 0.905 46.065 45.100 0.100 0.000 0.763 250 G HN 0.648 nan 8.290 nan 0.000 0.554 251 C N 0.556 119.949 119.300 0.156 0.000 2.432 251 C HA -0.010 4.450 4.460 -0.000 0.000 0.277 251 C C 3.261 178.336 174.990 0.142 0.000 1.249 251 C CA 1.754 60.871 59.018 0.166 0.000 1.725 251 C CB -0.943 26.895 27.740 0.164 0.000 2.028 251 C HN 0.366 nan 8.230 nan 0.000 0.477 252 S N 0.659 116.435 115.700 0.127 0.000 2.370 252 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 252 S C 1.759 176.433 174.600 0.123 0.000 1.033 252 S CA 2.089 60.357 58.200 0.114 0.000 1.011 252 S CB -0.443 62.808 63.200 0.085 0.000 0.852 252 S HN 0.666 nan 8.310 nan 0.000 0.457 253 M N 0.782 120.452 119.600 0.117 0.000 2.279 253 M HA -0.075 4.405 4.480 -0.000 0.000 0.264 253 M C 2.307 178.776 176.300 0.281 0.000 1.062 253 M CA 1.419 56.796 55.300 0.129 0.000 1.099 253 M CB -0.574 32.099 32.600 0.121 0.000 1.394 253 M HN 0.474 nan 8.290 nan 0.000 0.426 254 G N -0.509 108.460 108.800 0.282 0.000 2.492 254 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.214 254 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.214 254 G C 1.278 176.398 174.900 0.366 0.000 1.147 254 G CA 0.053 45.383 45.100 0.384 0.000 0.809 254 G HN 0.434 nan 8.290 nan 0.000 0.533 255 E N -0.413 119.931 120.200 0.239 0.000 2.204 255 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 255 E C 1.904 178.618 176.600 0.191 0.000 0.990 255 E CA 0.619 57.132 56.400 0.188 0.000 0.821 255 E CB -0.190 29.594 29.700 0.141 0.000 0.750 255 E HN 0.534 nan 8.360 nan 0.000 0.477 256 Y N 0.599 120.916 120.300 0.029 0.000 2.097 256 Y HA -0.286 4.264 4.550 -0.000 0.000 0.282 256 Y C 1.794 177.627 175.900 -0.113 0.000 1.152 256 Y CA 1.657 59.691 58.100 -0.111 0.000 1.136 256 Y CB -0.428 37.859 38.460 -0.289 0.000 0.975 256 Y HN -0.052 nan 8.280 nan 0.000 0.498 257 F N -0.025 119.975 119.950 0.084 0.000 2.075 257 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 257 F C 2.789 178.603 175.800 0.024 0.000 1.113 257 F CA 2.029 60.035 58.000 0.009 0.000 1.218 257 F CB -0.902 38.146 39.000 0.081 0.000 0.984 257 F HN -0.087 nan 8.300 nan 0.000 0.472 258 R N 0.770 121.439 120.500 0.282 0.000 2.112 258 R HA -0.213 4.126 4.340 -0.000 0.000 0.242 258 R C 1.827 178.199 176.300 0.120 0.000 1.137 258 R CA 2.374 58.591 56.100 0.195 0.000 0.944 258 R CB -0.632 29.760 30.300 0.154 0.000 0.857 258 R HN 0.226 nan 8.270 nan 0.000 0.435 259 D N 0.290 120.727 120.400 0.062 0.000 2.117 259 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 259 D C 0.804 177.087 176.300 -0.028 0.000 0.987 259 D CA 1.167 55.184 54.000 0.028 0.000 0.829 259 D CB -0.467 40.335 40.800 0.003 0.000 0.961 259 D HN 0.277 nan 8.370 nan 0.000 0.460 260 N N -0.226 118.400 118.700 -0.123 0.000 2.441 260 N HA 0.216 4.956 4.740 -0.000 0.000 0.225 260 N C 1.126 176.613 175.510 -0.037 0.000 1.208 260 N CA 0.568 53.526 53.050 -0.153 0.000 0.847 260 N CB 0.332 38.612 38.487 -0.345 0.000 1.121 260 N HN 0.200 nan 8.380 nan 0.000 0.479 261 G N -0.294 108.525 108.800 0.033 0.000 2.322 261 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.264 261 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.264 261 G C 0.379 175.324 174.900 0.076 0.000 0.992 261 G CA 0.529 45.668 45.100 0.066 0.000 0.624 261 G HN 0.409 nan 8.290 nan 0.000 0.543 262 K N 0.435 120.908 120.400 0.121 0.000 2.180 262 K HA 0.456 4.775 4.320 -0.000 0.000 0.251 262 K C -0.118 176.676 176.600 0.322 0.000 1.014 262 K CA -0.321 56.078 56.287 0.186 0.000 0.913 262 K CB 0.260 33.011 32.500 0.418 0.000 1.008 262 K HN 0.342 nan 8.250 nan 0.000 0.490 263 H N -0.493 118.687 119.070 0.183 0.000 2.469 263 H HA 0.537 5.093 4.556 -0.000 0.000 0.342 263 H C -0.692 174.678 175.328 0.070 0.000 1.115 263 H CA -0.906 55.192 56.048 0.084 0.000 1.204 263 H CB 1.746 31.500 29.762 -0.013 0.000 1.492 263 H HN 0.687 nan 8.280 nan 0.000 0.499 264 A N 2.649 125.561 122.820 0.153 0.000 2.454 264 A HA 0.656 4.976 4.320 -0.000 0.000 0.302 264 A C -1.425 176.163 177.584 0.005 0.000 1.079 264 A CA -0.649 51.400 52.037 0.021 0.000 0.731 264 A CB 1.767 20.782 19.000 0.025 0.000 1.299 264 A HN 0.487 nan 8.150 nan 0.000 0.413 265 L N 1.288 122.498 121.223 -0.021 0.000 2.381 265 L HA 0.881 5.221 4.340 -0.000 0.000 0.268 265 L C -1.147 175.684 176.870 -0.066 0.000 0.997 265 L CA -0.501 54.316 54.840 -0.038 0.000 0.818 265 L CB 1.637 43.685 42.059 -0.018 0.000 1.310 265 L HN 0.757 nan 8.230 nan 0.000 0.416 266 I N 4.145 124.626 120.570 -0.148 0.000 2.656 266 I HA 0.562 4.732 4.170 -0.000 0.000 0.292 266 I C -1.647 174.205 176.117 -0.442 0.000 1.144 266 I CA -0.531 60.601 61.300 -0.280 0.000 1.038 266 I CB 1.877 39.663 38.000 -0.358 0.000 1.244 266 I HN 0.588 nan 8.210 nan 0.000 0.420 267 I N 7.436 127.747 120.570 -0.431 0.000 2.433 267 I HA 0.321 4.491 4.170 -0.000 0.000 0.292 267 I C -1.264 174.502 176.117 -0.584 0.000 1.001 267 I CA -0.250 60.802 61.300 -0.413 0.000 1.119 267 I CB 1.485 39.398 38.000 -0.146 0.000 1.289 267 I HN 0.291 nan 8.210 nan 0.000 0.438 268 Y N 4.058 124.217 120.300 -0.234 0.000 2.491 268 Y HA 0.378 4.928 4.550 -0.000 0.000 0.334 268 Y C -0.017 175.723 175.900 -0.266 0.000 0.969 268 Y CA -0.905 57.033 58.100 -0.269 0.000 1.241 268 Y CB 0.664 38.974 38.460 -0.251 0.000 1.105 268 Y HN 0.420 nan 8.280 nan 0.000 0.503 269 D N 3.603 123.875 120.400 -0.213 0.000 2.461 269 D HA 0.256 4.896 4.640 -0.000 0.000 0.240 269 D C -1.349 174.888 176.300 -0.105 0.000 1.094 269 D CA -0.254 53.646 54.000 -0.167 0.000 0.868 269 D CB 0.807 41.462 40.800 -0.241 0.000 1.062 269 D HN 0.585 nan 8.370 nan 0.000 0.530 270 D N 2.405 122.775 120.400 -0.050 0.000 2.490 270 D HA 0.276 4.916 4.640 -0.000 0.000 0.232 270 D C 1.329 177.590 176.300 -0.065 0.000 1.053 270 D CA -0.666 53.303 54.000 -0.052 0.000 0.914 270 D CB 2.340 43.124 40.800 -0.026 0.000 1.431 270 D HN 0.143 nan 8.370 nan 0.000 0.483 271 L N 0.371 121.517 121.223 -0.129 0.000 2.313 271 L HA -0.042 4.298 4.340 -0.000 0.000 0.214 271 L C 1.788 178.611 176.870 -0.080 0.000 1.119 271 L CA 0.646 55.361 54.840 -0.208 0.000 0.809 271 L CB -0.164 41.556 42.059 -0.566 0.000 0.933 271 L HN 0.344 nan 8.230 nan 0.000 0.449 272 S N 0.223 115.887 115.700 -0.061 0.000 2.348 272 S HA -0.166 4.304 4.470 -0.000 0.000 0.221 272 S C 1.910 176.557 174.600 0.079 0.000 1.033 272 S CA 1.228 59.434 58.200 0.009 0.000 1.010 272 S CB -0.103 63.102 63.200 0.007 0.000 0.891 272 S HN 0.362 nan 8.310 nan 0.000 0.442 273 K N 1.077 121.512 120.400 0.058 0.000 2.147 273 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 273 K C 2.458 179.120 176.600 0.104 0.000 1.049 273 K CA 1.035 57.368 56.287 0.077 0.000 0.936 273 K CB -0.158 32.371 32.500 0.049 0.000 0.722 273 K HN 0.386 nan 8.250 nan 0.000 0.446 274 Q N 0.657 120.516 119.800 0.098 0.000 2.079 274 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 274 Q C 2.094 178.230 176.000 0.226 0.000 0.974 274 Q CA 1.401 57.286 55.803 0.137 0.000 0.840 274 Q CB -0.071 28.717 28.738 0.084 0.000 0.898 274 Q HN 0.315 nan 8.270 nan 0.000 0.430 275 A N 0.198 123.164 122.820 0.243 0.000 1.908 275 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 275 A C 2.229 180.069 177.584 0.427 0.000 1.181 275 A CA 1.647 53.860 52.037 0.293 0.000 0.627 275 A CB -0.830 18.259 19.000 0.147 0.000 0.818 275 A HN 0.304 nan 8.150 nan 0.000 0.445 276 V N -0.154 119.970 119.914 0.350 0.000 2.332 276 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 276 V C 3.025 179.206 176.094 0.145 0.000 1.055 276 V CA 2.065 64.519 62.300 0.256 0.000 1.038 276 V CB -1.278 30.647 31.823 0.171 0.000 0.651 276 V HN 0.624 nan 8.190 nan 0.000 0.450 277 A N -1.174 121.737 122.820 0.152 0.000 1.969 277 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 277 A C 2.160 179.815 177.584 0.118 0.000 1.169 277 A CA 1.801 53.902 52.037 0.107 0.000 0.635 277 A CB -0.663 18.405 19.000 0.113 0.000 0.810 277 A HN 0.637 nan 8.150 nan 0.000 0.445 278 Y N 0.417 120.764 120.300 0.079 0.000 2.263 278 Y HA -0.110 4.440 4.550 -0.000 0.000 0.292 278 Y C 2.407 178.310 175.900 0.005 0.000 1.130 278 Y CA 1.724 59.840 58.100 0.025 0.000 1.179 278 Y CB -0.422 38.102 38.460 0.107 0.000 0.998 278 Y HN 0.314 nan 8.280 nan 0.000 0.532 279 R N 0.421 120.882 120.500 -0.065 0.000 2.105 279 R HA -0.259 4.081 4.340 -0.000 0.000 0.239 279 R C 2.423 178.581 176.300 -0.235 0.000 1.135 279 R CA 1.922 57.907 56.100 -0.192 0.000 0.967 279 R CB -0.386 29.798 30.300 -0.193 0.000 0.861 279 R HN 0.586 nan 8.270 nan 0.000 0.442 280 Q N 0.250 119.957 119.800 -0.156 0.000 2.030 280 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 280 Q C 2.109 178.009 176.000 -0.167 0.000 0.986 280 Q CA 2.266 57.990 55.803 -0.131 0.000 0.843 280 Q CB -0.080 28.611 28.738 -0.078 0.000 0.904 280 Q HN 0.430 nan 8.270 nan 0.000 0.420 281 M N -0.194 119.275 119.600 -0.218 0.000 2.080 281 M HA -0.177 4.303 4.480 -0.000 0.000 0.260 281 M C 2.418 178.564 176.300 -0.257 0.000 1.068 281 M CA 1.643 56.807 55.300 -0.227 0.000 1.109 281 M CB -0.218 32.225 32.600 -0.262 0.000 1.342 281 M HN 0.167 nan 8.290 nan 0.000 0.405 282 S N 1.080 116.537 115.700 -0.404 0.000 2.351 282 S HA -0.112 4.358 4.470 -0.000 0.000 0.220 282 S C 1.909 176.402 174.600 -0.177 0.000 1.035 282 S CA 1.280 59.290 58.200 -0.317 0.000 1.031 282 S CB -0.592 62.362 63.200 -0.410 0.000 0.928 282 S HN 0.384 nan 8.310 nan 0.000 0.433 283 L N 1.007 122.129 121.223 -0.168 0.000 2.042 283 L HA -0.127 4.212 4.340 -0.000 0.000 0.210 283 L C 2.271 179.088 176.870 -0.087 0.000 1.076 283 L CA 1.112 55.885 54.840 -0.112 0.000 0.749 283 L CB -0.623 41.367 42.059 -0.115 0.000 0.893 283 L HN 0.295 nan 8.230 nan 0.000 0.432 284 L N -0.704 120.463 121.223 -0.093 0.000 2.156 284 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 284 L C 2.201 179.039 176.870 -0.053 0.000 1.095 284 L CA 0.813 55.614 54.840 -0.066 0.000 0.770 284 L CB -0.244 41.777 42.059 -0.064 0.000 0.914 284 L HN 0.276 nan 8.230 nan 0.000 0.439 285 L N -0.420 120.763 121.223 -0.066 0.000 2.610 285 L HA 0.016 4.356 4.340 -0.000 0.000 0.232 285 L C 0.656 177.506 176.870 -0.034 0.000 1.149 285 L CA 0.206 55.020 54.840 -0.044 0.000 0.872 285 L CB -0.228 41.799 42.059 -0.053 0.000 0.992 285 L HN 0.271 nan 8.230 nan 0.000 0.447 286 R N 0.075 120.551 120.500 -0.040 0.000 3.531 286 R HA -0.153 4.187 4.340 -0.000 0.000 0.280 286 R C -0.110 176.175 176.300 -0.025 0.000 1.130 286 R CA 0.378 56.461 56.100 -0.029 0.000 0.757 286 R CB -1.687 28.603 30.300 -0.017 0.000 1.218 286 R HN 0.386 nan 8.270 nan 0.000 0.454 287 R N 1.765 122.243 120.500 -0.035 0.000 2.357 287 R HA 0.198 4.537 4.340 -0.000 0.000 0.296 287 R C -1.846 174.445 176.300 -0.014 0.000 1.052 287 R CA -1.698 54.390 56.100 -0.020 0.000 0.988 287 R CB 0.449 30.731 30.300 -0.029 0.000 1.025 287 R HN -0.042 nan 8.270 nan 0.000 0.469 288 P HA -0.036 nan 4.420 nan 0.000 0.256 288 P C -2.364 174.948 177.300 0.020 0.000 1.173 288 P CA -0.589 62.517 63.100 0.011 0.000 0.768 288 P CB -0.046 31.667 31.700 0.021 0.000 0.758 289 P HA 0.216 nan 4.420 nan 0.000 0.280 289 P C 0.322 177.645 177.300 0.039 0.000 1.244 289 P CA 0.065 63.176 63.100 0.018 0.000 0.784 289 P CB 1.530 33.222 31.700 -0.013 0.000 0.913 290 G N 2.598 111.447 108.800 0.082 0.000 3.019 290 G HA2 0.299 4.259 3.960 -0.000 0.000 0.152 290 G HA3 0.299 4.259 3.960 -0.000 0.000 0.152 290 G C -0.439 174.486 174.900 0.040 0.000 1.320 290 G CA -0.781 44.356 45.100 0.062 0.000 1.013 290 G HN 0.571 nan 8.290 nan 0.000 0.593 291 R N 0.527 121.000 120.500 -0.044 0.000 2.484 291 R HA 0.170 4.510 4.340 -0.000 0.000 0.293 291 R C 0.068 176.458 176.300 0.149 0.000 1.023 291 R CA 0.875 56.931 56.100 -0.074 0.000 1.037 291 R CB -0.227 29.856 30.300 -0.362 0.000 0.951 291 R HN 0.709 nan 8.270 nan 0.000 0.418 292 E N 2.740 123.018 120.200 0.130 0.000 3.170 292 E HA -0.346 4.004 4.350 -0.000 0.000 0.284 292 E C 0.359 176.965 176.600 0.009 0.000 0.967 292 E CA 0.490 56.990 56.400 0.166 0.000 0.919 292 E CB -1.306 28.651 29.700 0.428 0.000 1.469 292 E HN 0.915 nan 8.360 nan 0.000 0.444 293 A N -2.229 120.600 122.820 0.015 0.000 3.396 293 A HA -0.313 4.007 4.320 -0.000 0.000 0.267 293 A C 0.190 177.744 177.584 -0.049 0.000 1.139 293 A CA 1.705 53.707 52.037 -0.059 0.000 1.115 293 A CB -1.933 16.982 19.000 -0.142 0.000 1.133 293 A HN 0.411 nan 8.150 nan 0.000 0.920 294 Y N 1.470 121.869 120.300 0.165 0.000 2.497 294 Y HA 0.385 4.935 4.550 -0.000 0.000 0.334 294 Y C -1.132 174.898 175.900 0.217 0.000 1.199 294 Y CA -0.773 57.450 58.100 0.204 0.000 1.425 294 Y CB 0.232 38.885 38.460 0.323 0.000 1.291 294 Y HN 0.296 nan 8.280 nan 0.000 0.562 295 P HA 0.002 nan 4.420 nan 0.000 0.272 295 P C 0.548 178.036 177.300 0.314 0.000 1.230 295 P CA 0.010 63.247 63.100 0.228 0.000 0.788 295 P CB 0.845 32.636 31.700 0.151 0.000 0.949 296 G N 0.964 109.910 108.800 0.243 0.000 2.708 296 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.210 296 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.210 296 G C 0.629 175.683 174.900 0.257 0.000 1.141 296 G CA 0.267 45.515 45.100 0.246 0.000 0.788 296 G HN 0.664 nan 8.290 nan 0.000 0.531 297 D N -0.419 120.156 120.400 0.292 0.000 2.538 297 D HA 0.059 4.699 4.640 -0.000 0.000 0.231 297 D C 1.594 178.063 176.300 0.282 0.000 1.229 297 D CA -0.404 53.795 54.000 0.331 0.000 0.828 297 D CB 0.059 41.088 40.800 0.382 0.000 1.035 297 D HN 0.050 nan 8.370 nan 0.000 0.495 298 V N -0.099 119.951 119.914 0.227 0.000 2.626 298 V HA -0.104 4.015 4.120 -0.000 0.000 0.252 298 V C 1.713 177.724 176.094 -0.139 0.000 1.067 298 V CA 1.123 63.438 62.300 0.024 0.000 1.081 298 V CB -0.739 31.054 31.823 -0.049 0.000 0.686 298 V HN 0.196 nan 8.190 nan 0.000 0.468 299 F N -0.039 119.850 119.950 -0.101 0.000 2.098 299 F HA -0.130 4.397 4.527 -0.000 0.000 0.294 299 F C 2.202 178.023 175.800 0.035 0.000 1.107 299 F CA 2.138 60.106 58.000 -0.052 0.000 1.234 299 F CB -0.754 38.267 39.000 0.035 0.000 1.002 299 F HN 0.330 nan 8.300 nan 0.000 0.472 300 Y N 0.957 121.436 120.300 0.297 0.000 2.181 300 Y HA -0.266 4.284 4.550 -0.000 0.000 0.284 300 Y C 2.170 178.075 175.900 0.009 0.000 1.179 300 Y CA 1.669 59.878 58.100 0.181 0.000 1.179 300 Y CB -1.124 37.413 38.460 0.129 0.000 0.973 300 Y HN 0.265 nan 8.280 nan 0.000 0.519 301 L N -0.213 120.937 121.223 -0.121 0.000 1.970 301 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 301 L C 2.351 179.078 176.870 -0.238 0.000 1.071 301 L CA 2.502 57.155 54.840 -0.312 0.000 0.751 301 L CB -0.866 40.884 42.059 -0.515 0.000 0.889 301 L HN 0.328 nan 8.230 nan 0.000 0.432 302 H N -1.573 117.356 119.070 -0.234 0.000 2.403 302 H HA -0.046 4.510 4.556 -0.000 0.000 0.298 302 H C 2.385 177.538 175.328 -0.291 0.000 1.059 302 H CA 0.884 56.735 56.048 -0.329 0.000 1.363 302 H CB -0.018 29.516 29.762 -0.381 0.000 1.410 302 H HN 0.539 nan 8.280 nan 0.000 0.528 303 S N 1.892 117.499 115.700 -0.154 0.000 2.351 303 S HA -0.275 4.195 4.470 -0.000 0.000 0.220 303 S C 2.088 176.699 174.600 0.019 0.000 1.035 303 S CA 1.414 59.565 58.200 -0.082 0.000 1.031 303 S CB -0.439 62.822 63.200 0.102 0.000 0.928 303 S HN 0.571 nan 8.310 nan 0.000 0.433 304 R N 0.966 121.513 120.500 0.078 0.000 2.193 304 R HA 0.061 4.401 4.340 -0.000 0.000 0.229 304 R C 2.248 178.564 176.300 0.028 0.000 1.110 304 R CA 1.230 57.378 56.100 0.080 0.000 0.988 304 R CB -0.691 29.654 30.300 0.075 0.000 0.871 304 R HN 0.476 nan 8.270 nan 0.000 0.458 305 L N 1.126 122.320 121.223 -0.048 0.000 2.034 305 L HA 0.043 4.383 4.340 -0.000 0.000 0.203 305 L C 2.152 178.947 176.870 -0.125 0.000 1.074 305 L CA 1.406 56.142 54.840 -0.173 0.000 0.748 305 L CB -0.312 41.436 42.059 -0.518 0.000 0.905 305 L HN 0.157 nan 8.230 nan 0.000 0.439 306 L N -0.339 120.808 121.223 -0.127 0.000 2.131 306 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 306 L C 2.427 179.291 176.870 -0.011 0.000 1.092 306 L CA 0.722 55.529 54.840 -0.054 0.000 0.759 306 L CB -0.671 41.335 42.059 -0.088 0.000 0.903 306 L HN 0.328 nan 8.230 nan 0.000 0.435 307 E N 0.333 120.531 120.200 -0.004 0.000 2.338 307 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 307 E C 2.178 178.790 176.600 0.020 0.000 1.007 307 E CA 0.632 57.041 56.400 0.015 0.000 0.849 307 E CB -0.042 29.679 29.700 0.036 0.000 0.774 307 E HN 0.491 nan 8.360 nan 0.000 0.506 308 R N 0.720 121.236 120.500 0.027 0.000 2.148 308 R HA 0.042 4.382 4.340 -0.000 0.000 0.227 308 R C 1.044 177.366 176.300 0.038 0.000 1.103 308 R CA 0.644 56.768 56.100 0.039 0.000 0.983 308 R CB -0.119 30.214 30.300 0.056 0.000 0.874 308 R HN -0.055 nan 8.270 nan 0.000 0.451 309 A N 1.187 124.029 122.820 0.037 0.000 2.488 309 A HA 0.546 4.866 4.320 -0.000 0.000 0.249 309 A C -0.074 177.512 177.584 0.004 0.000 1.083 309 A CA 0.291 52.344 52.037 0.026 0.000 0.768 309 A CB 0.313 19.326 19.000 0.022 0.000 1.017 309 A HN 0.350 nan 8.150 nan 0.000 0.496 310 A N 2.074 124.892 122.820 -0.004 0.000 2.540 310 A HA 0.699 5.019 4.320 -0.000 0.000 0.291 310 A C -0.965 176.602 177.584 -0.029 0.000 1.083 310 A CA -0.705 51.319 52.037 -0.020 0.000 0.650 310 A CB 0.886 19.872 19.000 -0.023 0.000 1.292 310 A HN 0.890 nan 8.150 nan 0.000 0.435 311 K N 1.540 121.916 120.400 -0.040 0.000 2.389 311 K HA 0.564 4.883 4.320 -0.000 0.000 0.261 311 K C -0.516 176.070 176.600 -0.022 0.000 1.014 311 K CA -0.374 55.885 56.287 -0.046 0.000 0.920 311 K CB 0.273 32.736 32.500 -0.062 0.000 1.149 311 K HN 0.631 nan 8.250 nan 0.000 0.444 312 M N 2.745 122.349 119.600 0.008 0.000 2.240 312 M HA 0.141 4.620 4.480 -0.000 0.000 0.333 312 M C 0.459 176.801 176.300 0.070 0.000 1.110 312 M CA -0.366 54.954 55.300 0.034 0.000 1.173 312 M CB 0.157 32.814 32.600 0.095 0.000 1.458 312 M HN 0.712 nan 8.290 nan 0.000 0.458 313 N N 0.777 119.541 118.700 0.106 0.000 2.408 313 N HA 0.112 4.852 4.740 -0.000 0.000 0.260 313 N C 0.166 175.771 175.510 0.158 0.000 1.242 313 N CA -0.368 52.758 53.050 0.126 0.000 0.959 313 N CB 0.472 39.045 38.487 0.143 0.000 1.201 313 N HN 0.439 nan 8.380 nan 0.000 0.511 314 D N -0.293 120.172 120.400 0.108 0.000 2.158 314 D HA -0.199 4.441 4.640 -0.000 0.000 0.197 314 D C 1.555 177.893 176.300 0.064 0.000 0.995 314 D CA 1.887 55.933 54.000 0.077 0.000 0.846 314 D CB -0.366 40.462 40.800 0.047 0.000 0.941 314 D HN 0.729 nan 8.370 nan 0.000 0.456 315 A N 0.327 123.195 122.820 0.080 0.000 2.019 315 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 315 A C 1.103 178.575 177.584 -0.186 0.000 1.164 315 A CA 0.763 52.773 52.037 -0.046 0.000 0.644 315 A CB -0.444 18.535 19.000 -0.035 0.000 0.805 315 A HN 0.117 nan 8.150 nan 0.000 0.449 316 F N -0.425 119.530 119.950 0.008 0.000 2.883 316 F HA 0.460 4.987 4.527 -0.000 0.000 0.312 316 F C 1.603 177.409 175.800 0.010 0.000 1.246 316 F CA 0.289 58.293 58.000 0.007 0.000 1.238 316 F CB 0.316 39.322 39.000 0.010 0.000 1.195 316 F HN 0.339 nan 8.300 nan 0.000 0.526 317 G N 0.551 109.404 108.800 0.088 0.000 3.444 317 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.222 317 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.222 317 G C 1.334 176.286 174.900 0.088 0.000 1.358 317 G CA 0.180 45.320 45.100 0.067 0.000 0.880 317 G HN 1.443 nan 8.290 nan 0.000 0.555 318 G N -0.368 108.509 108.800 0.128 0.000 2.148 318 G HA2 0.310 4.270 3.960 -0.000 0.000 0.203 318 G HA3 0.310 4.270 3.960 -0.000 0.000 0.203 318 G C 1.423 176.443 174.900 0.200 0.000 0.993 318 G CA 0.898 46.079 45.100 0.135 0.000 0.661 318 G HN 2.173 nan 8.290 nan 0.000 0.518 319 G N -0.247 108.669 108.800 0.193 0.000 2.621 319 G HA2 0.747 4.707 3.960 -0.000 0.000 0.271 319 G HA3 0.747 4.707 3.960 -0.000 0.000 0.271 319 G C 0.277 175.258 174.900 0.135 0.000 1.236 319 G CA 0.777 46.044 45.100 0.277 0.000 0.958 319 G HN 1.811 nan 8.290 nan 0.000 0.512 320 S N -1.601 114.156 115.700 0.096 0.000 2.535 320 S HA 0.497 4.967 4.470 -0.000 0.000 0.272 320 S C -1.502 173.100 174.600 0.003 0.000 1.149 320 S CA -0.781 57.386 58.200 -0.054 0.000 0.888 320 S CB 1.802 64.835 63.200 -0.278 0.000 1.110 320 S HN 0.994 nan 8.310 nan 0.000 0.463 321 L N 2.313 123.540 121.223 0.006 0.000 2.345 321 L HA 0.646 4.986 4.340 -0.000 0.000 0.274 321 L C -0.586 176.274 176.870 -0.017 0.000 0.999 321 L CA 0.223 55.077 54.840 0.023 0.000 0.849 321 L CB 1.272 43.368 42.059 0.061 0.000 1.220 321 L HN 0.905 nan 8.230 nan 0.000 0.422 322 T N 4.190 118.719 114.554 -0.042 0.000 2.806 322 T HA 0.795 5.145 4.350 -0.000 0.000 0.290 322 T C -0.071 174.585 174.700 -0.074 0.000 0.966 322 T CA -0.174 61.891 62.100 -0.058 0.000 1.060 322 T CB 1.257 70.083 68.868 -0.070 0.000 0.927 322 T HN 0.768 nan 8.240 nan 0.000 0.485 323 A N 3.294 126.071 122.820 -0.072 0.000 2.342 323 A HA 0.771 5.091 4.320 -0.000 0.000 0.323 323 A C -0.497 177.025 177.584 -0.102 0.000 1.125 323 A CA -0.774 51.192 52.037 -0.118 0.000 0.785 323 A CB 0.732 19.721 19.000 -0.019 0.000 1.221 323 A HN 0.866 nan 8.150 nan 0.000 0.463 324 L N 4.093 125.227 121.223 -0.149 0.000 2.556 324 L HA 0.309 4.649 4.340 -0.000 0.000 0.243 324 L C -2.366 174.441 176.870 -0.105 0.000 1.331 324 L CA -1.607 53.171 54.840 -0.104 0.000 0.927 324 L CB 1.378 43.387 42.059 -0.083 0.000 1.219 324 L HN 0.513 nan 8.230 nan 0.000 0.490 325 P HA 0.131 nan 4.420 nan 0.000 0.272 325 P C -0.512 176.746 177.300 -0.070 0.000 1.223 325 P CA -0.107 62.991 63.100 -0.003 0.000 0.784 325 P CB 2.210 33.921 31.700 0.019 0.000 0.923 326 V N 3.848 123.718 119.914 -0.072 0.000 2.495 326 V HA 0.394 4.514 4.120 -0.000 0.000 0.298 326 V C 0.265 176.303 176.094 -0.093 0.000 1.031 326 V CA -0.605 61.650 62.300 -0.074 0.000 0.871 326 V CB 1.712 33.508 31.823 -0.045 0.000 0.988 326 V HN 0.414 nan 8.190 nan 0.000 0.432 327 I N 3.499 124.015 120.570 -0.090 0.000 2.466 327 I HA 0.417 4.587 4.170 -0.000 0.000 0.289 327 I C -0.035 176.057 176.117 -0.041 0.000 1.026 327 I CA -0.439 60.809 61.300 -0.086 0.000 1.078 327 I CB 2.040 39.973 38.000 -0.110 0.000 1.249 327 I HN 0.758 nan 8.210 nan 0.000 0.429 328 E N 5.304 125.493 120.200 -0.018 0.000 2.115 328 E HA 0.369 4.719 4.350 -0.000 0.000 0.282 328 E C -0.557 176.057 176.600 0.023 0.000 0.987 328 E CA -0.356 56.048 56.400 0.008 0.000 0.797 328 E CB 1.009 30.719 29.700 0.017 0.000 1.086 328 E HN 0.680 nan 8.360 nan 0.000 0.397 329 T N 2.206 116.782 114.554 0.036 0.000 2.918 329 T HA 0.312 4.661 4.350 -0.000 0.000 0.283 329 T C -0.086 174.648 174.700 0.056 0.000 1.001 329 T CA -1.045 61.087 62.100 0.054 0.000 1.041 329 T CB 1.480 70.392 68.868 0.074 0.000 1.028 329 T HN 0.337 nan 8.240 nan 0.000 0.511 330 Q N 0.633 120.470 119.800 0.062 0.000 2.368 330 Q HA 0.545 4.885 4.340 -0.000 0.000 0.263 330 Q C 0.533 176.566 176.000 0.056 0.000 1.009 330 Q CA -0.183 55.655 55.803 0.058 0.000 0.818 330 Q CB 1.083 29.860 28.738 0.064 0.000 1.239 330 Q HN 1.199 nan 8.270 nan 0.000 0.464 331 A N 2.277 125.127 122.820 0.051 0.000 2.832 331 A HA -0.170 4.150 4.320 -0.000 0.000 0.280 331 A C 1.171 178.785 177.584 0.050 0.000 1.464 331 A CA 1.500 53.566 52.037 0.047 0.000 0.804 331 A CB -2.119 16.906 19.000 0.042 0.000 1.020 331 A HN 1.576 nan 8.150 nan 0.000 0.563 332 G N -1.242 107.594 108.800 0.060 0.000 2.168 332 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.263 332 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.263 332 G C -0.005 174.935 174.900 0.067 0.000 0.977 332 G CA 1.174 46.314 45.100 0.068 0.000 0.659 332 G HN 1.830 nan 8.290 nan 0.000 0.533 333 D N 0.703 121.142 120.400 0.065 0.000 2.441 333 D HA 0.349 4.989 4.640 -0.000 0.000 0.243 333 D C 1.913 178.263 176.300 0.082 0.000 1.257 333 D CA 0.491 54.530 54.000 0.066 0.000 1.027 333 D CB 0.389 41.228 40.800 0.064 0.000 1.084 333 D HN 0.608 nan 8.370 nan 0.000 0.514 334 V N 0.972 120.942 119.914 0.093 0.000 2.970 334 V HA -0.057 4.063 4.120 -0.000 0.000 0.260 334 V C 1.623 177.780 176.094 0.106 0.000 1.100 334 V CA 0.930 63.302 62.300 0.121 0.000 1.122 334 V CB -0.340 31.592 31.823 0.181 0.000 0.721 334 V HN 0.317 nan 8.190 nan 0.000 0.483 335 S N 1.082 116.836 115.700 0.090 0.000 2.660 335 S HA 0.501 4.971 4.470 -0.000 0.000 0.223 335 S C 1.160 175.823 174.600 0.106 0.000 0.963 335 S CA 0.414 58.668 58.200 0.090 0.000 0.932 335 S CB -0.497 62.743 63.200 0.068 0.000 0.775 335 S HN 0.907 nan 8.310 nan 0.000 0.531 336 A N 0.846 123.733 122.820 0.111 0.000 2.406 336 A HA 0.319 4.639 4.320 -0.000 0.000 0.243 336 A C 0.988 178.688 177.584 0.192 0.000 1.082 336 A CA -0.291 51.828 52.037 0.137 0.000 0.786 336 A CB -0.108 18.964 19.000 0.120 0.000 1.029 336 A HN 0.280 nan 8.150 nan 0.000 0.495 337 Y N 1.284 121.612 120.300 0.047 0.000 1.979 337 Y HA -0.253 4.297 4.550 -0.000 0.000 0.262 337 Y C 1.962 177.854 175.900 -0.014 0.000 1.142 337 Y CA 2.497 60.614 58.100 0.030 0.000 1.096 337 Y CB -0.823 37.657 38.460 0.034 0.000 0.958 337 Y HN 0.543 nan 8.280 nan 0.000 0.484 338 I N 0.362 120.844 120.570 -0.146 0.000 2.118 338 I HA -0.258 3.912 4.170 -0.000 0.000 0.241 338 I C -0.626 175.435 176.117 -0.094 0.000 1.070 338 I CA 1.935 63.088 61.300 -0.245 0.000 1.327 338 I CB -2.080 35.748 38.000 -0.287 0.000 1.034 338 I HN 0.194 nan 8.210 nan 0.000 0.405 339 P HA -0.137 nan 4.420 nan 0.000 0.215 339 P C 1.764 179.077 177.300 0.022 0.000 1.153 339 P CA 1.802 64.898 63.100 -0.007 0.000 0.853 339 P CB -0.176 31.548 31.700 0.040 0.000 0.788 340 T N -0.719 113.882 114.554 0.079 0.000 2.708 340 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 340 T C 1.616 176.384 174.700 0.114 0.000 1.037 340 T CA 1.411 63.583 62.100 0.120 0.000 1.146 340 T CB -0.954 68.023 68.868 0.182 0.000 0.865 340 T HN 0.118 nan 8.240 nan 0.000 0.435 341 N N 1.016 119.768 118.700 0.087 0.000 2.036 341 N HA -0.091 4.649 4.740 -0.000 0.000 0.195 341 N C 2.003 177.405 175.510 -0.182 0.000 1.037 341 N CA 1.048 54.099 53.050 0.001 0.000 0.855 341 N CB -0.852 37.559 38.487 -0.127 0.000 1.033 341 N HN 0.223 nan 8.380 nan 0.000 0.423 342 V N 1.764 121.578 119.914 -0.167 0.000 2.453 342 V HA -0.098 4.022 4.120 -0.000 0.000 0.247 342 V C 2.324 178.343 176.094 -0.126 0.000 1.048 342 V CA 0.924 63.099 62.300 -0.207 0.000 1.049 342 V CB -0.374 31.292 31.823 -0.262 0.000 0.672 342 V HN 0.230 nan 8.190 nan 0.000 0.457 343 I N 1.325 121.858 120.570 -0.063 0.000 2.264 343 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 343 I C 2.547 178.669 176.117 0.008 0.000 1.111 343 I CA 1.960 63.246 61.300 -0.024 0.000 1.382 343 I CB -0.396 37.625 38.000 0.035 0.000 1.060 343 I HN 0.491 nan 8.210 nan 0.000 0.418 344 S N 0.380 116.106 115.700 0.043 0.000 2.489 344 S HA 0.041 4.511 4.470 -0.000 0.000 0.228 344 S C 1.751 176.393 174.600 0.070 0.000 0.995 344 S CA 0.503 58.760 58.200 0.095 0.000 0.934 344 S CB -0.417 62.904 63.200 0.202 0.000 0.771 344 S HN 0.441 nan 8.310 nan 0.000 0.522 345 I N 2.301 122.857 120.570 -0.023 0.000 3.228 345 I HA 0.030 4.200 4.170 -0.000 0.000 0.279 345 I C 1.317 177.408 176.117 -0.044 0.000 1.221 345 I CA 0.441 61.708 61.300 -0.055 0.000 1.458 345 I CB -0.395 37.484 38.000 -0.202 0.000 1.105 345 I HN 0.357 nan 8.210 nan 0.000 0.445 346 T N -2.292 112.230 114.554 -0.053 0.000 2.824 346 T HA 0.181 4.531 4.350 -0.000 0.000 0.277 346 T C 0.364 175.048 174.700 -0.027 0.000 0.975 346 T CA -0.491 61.579 62.100 -0.051 0.000 0.966 346 T CB 1.280 70.102 68.868 -0.077 0.000 1.054 346 T HN -0.026 nan 8.240 nan 0.000 0.533 347 D N -0.295 120.087 120.400 -0.031 0.000 2.440 347 D HA 0.371 5.010 4.640 -0.000 0.000 0.216 347 D C 0.681 176.967 176.300 -0.024 0.000 1.150 347 D CA 0.049 54.038 54.000 -0.019 0.000 0.832 347 D CB 0.459 41.247 40.800 -0.020 0.000 0.992 347 D HN 0.905 nan 8.370 nan 0.000 0.502 348 G N 0.207 108.982 108.800 -0.041 0.000 2.387 348 G HA2 0.422 4.382 3.960 -0.000 0.000 0.294 348 G HA3 0.422 4.382 3.960 -0.000 0.000 0.294 348 G C -1.890 172.942 174.900 -0.113 0.000 1.509 348 G CA -0.753 44.316 45.100 -0.052 0.000 0.806 348 G HN -0.107 nan 8.290 nan 0.000 0.546 349 Q N -0.387 119.313 119.800 -0.166 0.000 2.289 349 Q HA 0.617 4.957 4.340 -0.000 0.000 0.270 349 Q C -0.638 175.104 176.000 -0.429 0.000 1.038 349 Q CA -0.417 55.149 55.803 -0.395 0.000 0.812 349 Q CB 2.791 31.127 28.738 -0.670 0.000 1.300 349 Q HN 0.562 nan 8.270 nan 0.000 0.427 350 I N 3.285 123.615 120.570 -0.399 0.000 2.371 350 I HA 0.346 4.516 4.170 -0.000 0.000 0.282 350 I C -0.835 175.127 176.117 -0.258 0.000 1.031 350 I CA -0.547 60.621 61.300 -0.220 0.000 1.180 350 I CB 0.319 38.254 38.000 -0.109 0.000 1.336 350 I HN 0.471 nan 8.210 nan 0.000 0.467 351 F N 6.549 126.503 119.950 0.007 0.000 2.427 351 F HA 0.392 4.919 4.527 -0.000 0.000 0.352 351 F C 0.209 176.019 175.800 0.018 0.000 1.100 351 F CA -0.253 57.754 58.000 0.012 0.000 1.191 351 F CB 0.639 39.647 39.000 0.013 0.000 1.128 351 F HN 0.195 nan 8.300 nan 0.000 0.533 352 L N 3.905 125.239 121.223 0.185 0.000 2.349 352 L HA 0.468 4.808 4.340 -0.000 0.000 0.278 352 L C -0.624 176.324 176.870 0.130 0.000 0.996 352 L CA -0.619 54.298 54.840 0.129 0.000 0.825 352 L CB 1.720 43.831 42.059 0.086 0.000 1.243 352 L HN 0.577 nan 8.230 nan 0.000 0.412 353 E N 1.495 121.766 120.200 0.119 0.000 2.158 353 E HA 0.231 4.581 4.350 -0.000 0.000 0.271 353 E C 0.168 176.831 176.600 0.105 0.000 0.911 353 E CA -0.448 56.014 56.400 0.102 0.000 0.767 353 E CB 2.141 31.894 29.700 0.088 0.000 1.120 353 E HN 0.543 nan 8.360 nan 0.000 0.405 354 T N 1.660 116.260 114.554 0.078 0.000 2.803 354 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 354 T C 1.563 176.334 174.700 0.119 0.000 1.052 354 T CA 1.308 63.426 62.100 0.030 0.000 1.136 354 T CB 0.016 68.899 68.868 0.025 0.000 0.864 354 T HN 0.539 nan 8.240 nan 0.000 0.467 355 E N 0.975 121.271 120.200 0.161 0.000 2.058 355 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 355 E C 2.094 178.802 176.600 0.180 0.000 0.997 355 E CA 1.003 57.521 56.400 0.196 0.000 0.801 355 E CB -0.242 29.536 29.700 0.131 0.000 0.746 355 E HN 0.474 nan 8.360 nan 0.000 0.450 356 L N 0.017 121.319 121.223 0.132 0.000 2.083 356 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 356 L C 2.487 179.412 176.870 0.092 0.000 1.083 356 L CA 0.907 55.807 54.840 0.100 0.000 0.752 356 L CB -0.524 41.580 42.059 0.074 0.000 0.899 356 L HN 0.202 nan 8.230 nan 0.000 0.433 357 F N 0.294 120.200 119.950 -0.073 0.000 2.046 357 F HA -0.302 4.224 4.527 -0.000 0.000 0.297 357 F C 2.428 178.138 175.800 -0.150 0.000 1.123 357 F CA 1.745 59.639 58.000 -0.176 0.000 1.199 357 F CB -0.509 38.276 39.000 -0.358 0.000 0.972 357 F HN -0.063 nan 8.300 nan 0.000 0.474 358 Y N 0.312 120.827 120.300 0.357 0.000 2.333 358 Y HA -0.137 4.413 4.550 -0.000 0.000 0.290 358 Y C 2.280 178.255 175.900 0.125 0.000 1.144 358 Y CA 1.256 59.493 58.100 0.229 0.000 1.228 358 Y CB -0.876 37.677 38.460 0.155 0.000 0.985 358 Y HN 0.054 nan 8.280 nan 0.000 0.542 359 K N -0.957 119.578 120.400 0.225 0.000 2.362 359 K HA 0.009 4.329 4.320 -0.000 0.000 0.200 359 K C 1.550 178.198 176.600 0.081 0.000 1.046 359 K CA 0.924 57.293 56.287 0.137 0.000 0.952 359 K CB -0.235 32.331 32.500 0.111 0.000 0.753 359 K HN 0.494 nan 8.250 nan 0.000 0.466 360 G N 0.552 109.374 108.800 0.036 0.000 2.211 360 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.201 360 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.201 360 G C 0.016 174.857 174.900 -0.097 0.000 0.997 360 G CA -0.496 44.586 45.100 -0.029 0.000 0.652 360 G HN 0.074 nan 8.290 nan 0.000 0.500 361 I N 2.212 122.732 120.570 -0.083 0.000 2.471 361 I HA 0.348 4.518 4.170 -0.000 0.000 0.294 361 I C 0.648 176.634 176.117 -0.218 0.000 1.123 361 I CA 0.408 61.651 61.300 -0.095 0.000 1.336 361 I CB -0.330 37.654 38.000 -0.027 0.000 1.430 361 I HN 0.164 nan 8.210 nan 0.000 0.533 362 R N 7.854 128.211 120.500 -0.238 0.000 2.502 362 R HA 0.405 4.745 4.340 -0.000 0.000 0.298 362 R C -2.559 173.633 176.300 -0.181 0.000 1.018 362 R CA -1.584 54.316 56.100 -0.333 0.000 0.899 362 R CB 2.511 32.534 30.300 -0.462 0.000 1.181 362 R HN 0.344 nan 8.270 nan 0.000 0.444 363 P HA 0.020 nan 4.420 nan 0.000 0.272 363 P C -0.386 176.861 177.300 -0.088 0.000 1.223 363 P CA -0.225 62.803 63.100 -0.120 0.000 0.784 363 P CB 1.008 32.673 31.700 -0.058 0.000 0.923 364 A N 4.157 126.949 122.820 -0.046 0.000 3.033 364 A HA 0.221 4.541 4.320 -0.000 0.000 0.250 364 A C 0.725 178.343 177.584 0.056 0.000 1.633 364 A CA -0.382 51.667 52.037 0.020 0.000 1.290 364 A CB -1.455 17.620 19.000 0.126 0.000 1.048 364 A HN 0.464 nan 8.150 nan 0.000 0.648 365 I N 1.570 122.161 120.570 0.036 0.000 2.308 365 I HA 0.038 4.208 4.170 -0.000 0.000 0.293 365 I C 0.426 176.587 176.117 0.073 0.000 1.078 365 I CA -0.474 60.860 61.300 0.057 0.000 1.292 365 I CB 0.547 38.567 38.000 0.034 0.000 1.423 365 I HN 0.380 nan 8.210 nan 0.000 0.493 366 N N 6.977 125.743 118.700 0.109 0.000 2.434 366 N HA 0.011 4.751 4.740 -0.000 0.000 0.273 366 N C 0.857 176.434 175.510 0.110 0.000 1.210 366 N CA 0.151 53.261 53.050 0.100 0.000 0.992 366 N CB 1.106 39.654 38.487 0.101 0.000 1.355 366 N HN 0.408 nan 8.380 nan 0.000 0.495 367 V N 3.610 123.571 119.914 0.078 0.000 2.407 367 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 367 V C 2.417 178.551 176.094 0.068 0.000 1.055 367 V CA 2.152 64.495 62.300 0.072 0.000 1.049 367 V CB -0.936 30.919 31.823 0.052 0.000 0.662 367 V HN 0.737 nan 8.190 nan 0.000 0.455 368 G N -0.509 108.319 108.800 0.045 0.000 2.499 368 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.221 368 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.221 368 G C 1.457 176.362 174.900 0.008 0.000 1.109 368 G CA 1.109 46.220 45.100 0.017 0.000 0.749 368 G HN 0.520 nan 8.290 nan 0.000 0.568 369 L N -0.242 120.998 121.223 0.027 0.000 2.577 369 L HA 0.211 4.551 4.340 -0.000 0.000 0.225 369 L C 1.056 178.099 176.870 0.288 0.000 1.053 369 L CA -0.145 54.686 54.840 -0.014 0.000 0.866 369 L CB -0.021 41.813 42.059 -0.375 0.000 1.132 369 L HN -0.050 nan 8.230 nan 0.000 0.486 370 S N 1.104 117.031 115.700 0.378 0.000 2.558 370 S HA 0.312 4.782 4.470 -0.000 0.000 0.288 370 S C -0.054 174.650 174.600 0.173 0.000 1.318 370 S CA -0.272 58.120 58.200 0.320 0.000 1.056 370 S CB 1.026 64.326 63.200 0.167 0.000 0.853 370 S HN 0.169 nan 8.310 nan 0.000 0.505 371 V N -0.256 119.730 119.914 0.120 0.000 3.206 371 V HA 0.957 5.077 4.120 -0.000 0.000 0.305 371 V C -0.541 175.569 176.094 0.027 0.000 1.257 371 V CA -0.849 61.495 62.300 0.073 0.000 1.057 371 V CB 2.045 33.922 31.823 0.091 0.000 1.075 371 V HN 0.694 nan 8.190 nan 0.000 0.443 372 S N -0.280 115.431 115.700 0.018 0.000 2.680 372 S HA 0.456 4.926 4.470 -0.000 0.000 0.262 372 S C 0.435 175.038 174.600 0.004 0.000 1.138 372 S CA -0.656 57.544 58.200 0.001 0.000 1.072 372 S CB 1.411 64.608 63.200 -0.006 0.000 1.097 372 S HN 0.823 nan 8.310 nan 0.000 0.468 373 R N 2.571 123.073 120.500 0.003 0.000 2.293 373 R HA -0.030 4.310 4.340 -0.000 0.000 0.219 373 R C 1.436 177.735 176.300 -0.001 0.000 1.091 373 R CA 1.204 57.308 56.100 0.005 0.000 1.004 373 R CB -0.226 30.078 30.300 0.007 0.000 0.865 373 R HN 0.503 nan 8.270 nan 0.000 0.469 374 V N -0.297 119.613 119.914 -0.007 0.000 2.374 374 V HA 0.095 4.215 4.120 -0.000 0.000 0.241 374 V C 1.600 177.689 176.094 -0.009 0.000 1.034 374 V CA 1.364 63.657 62.300 -0.011 0.000 1.037 374 V CB -0.662 31.149 31.823 -0.020 0.000 0.682 374 V HN 0.648 nan 8.190 nan 0.000 0.463 375 G N 0.575 109.370 108.800 -0.007 0.000 2.547 375 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.271 375 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.271 375 G C 0.931 175.827 174.900 -0.007 0.000 1.209 375 G CA 0.407 45.505 45.100 -0.004 0.000 0.959 375 G HN 0.433 nan 8.290 nan 0.000 0.563 376 S N 0.688 116.386 115.700 -0.004 0.000 2.440 376 S HA -0.017 4.453 4.470 -0.000 0.000 0.240 376 S C 2.751 177.345 174.600 -0.009 0.000 1.014 376 S CA 2.109 60.306 58.200 -0.005 0.000 0.980 376 S CB -0.636 62.563 63.200 -0.002 0.000 0.775 376 S HN 1.771 nan 8.310 nan 0.000 0.499 377 A N 1.082 123.895 122.820 -0.011 0.000 1.997 377 A HA 0.110 4.430 4.320 -0.000 0.000 0.221 377 A C 1.614 179.186 177.584 -0.021 0.000 1.172 377 A CA 1.595 53.623 52.037 -0.014 0.000 0.645 377 A CB -0.470 18.521 19.000 -0.014 0.000 0.813 377 A HN 0.614 nan 8.150 nan 0.000 0.454 378 A N -1.037 121.768 122.820 -0.024 0.000 3.105 378 A HA 0.563 4.883 4.320 -0.000 0.000 0.297 378 A C -0.087 177.479 177.584 -0.031 0.000 0.977 378 A CA -0.203 51.813 52.037 -0.034 0.000 1.020 378 A CB -0.016 18.958 19.000 -0.044 0.000 1.098 378 A HN 0.479 nan 8.150 nan 0.000 0.497 379 Q N 0.246 120.033 119.800 -0.022 0.000 2.372 379 Q HA 0.464 4.804 4.340 -0.000 0.000 0.273 379 Q C -0.887 175.105 176.000 -0.014 0.000 1.078 379 Q CA -0.487 55.307 55.803 -0.016 0.000 0.806 379 Q CB 1.721 30.455 28.738 -0.007 0.000 1.332 379 Q HN 0.363 nan 8.270 nan 0.000 0.435 380 T N 3.132 117.679 114.554 -0.011 0.000 2.916 380 T HA 0.026 4.376 4.350 -0.000 0.000 0.303 380 T C 1.081 175.781 174.700 0.000 0.000 1.025 380 T CA -0.029 62.067 62.100 -0.007 0.000 1.142 380 T CB 0.762 69.630 68.868 -0.001 0.000 0.947 380 T HN 0.645 nan 8.240 nan 0.000 0.544 381 R N 2.454 122.954 120.500 -0.000 0.000 2.119 381 R HA -0.215 4.125 4.340 -0.000 0.000 0.246 381 R C 2.446 178.752 176.300 0.010 0.000 1.146 381 R CA 1.819 57.922 56.100 0.004 0.000 0.962 381 R CB -0.614 29.688 30.300 0.003 0.000 0.863 381 R HN 0.794 nan 8.270 nan 0.000 0.442 382 A N 0.659 123.486 122.820 0.012 0.000 1.908 382 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 382 A C 2.074 179.672 177.584 0.025 0.000 1.181 382 A CA 1.780 53.828 52.037 0.018 0.000 0.627 382 A CB -0.516 18.493 19.000 0.015 0.000 0.818 382 A HN 0.463 nan 8.150 nan 0.000 0.445 383 M N 0.044 119.656 119.600 0.020 0.000 2.123 383 M HA -0.041 4.439 4.480 -0.000 0.000 0.263 383 M C 1.778 178.090 176.300 0.021 0.000 1.069 383 M CA 1.801 57.115 55.300 0.023 0.000 1.133 383 M CB -0.629 31.982 32.600 0.018 0.000 1.356 383 M HN 0.379 nan 8.290 nan 0.000 0.415 384 K N -0.283 120.126 120.400 0.015 0.000 2.077 384 K HA -0.309 4.011 4.320 -0.000 0.000 0.213 384 K C 2.149 178.758 176.600 0.016 0.000 1.051 384 K CA 2.286 58.580 56.287 0.012 0.000 0.929 384 K CB -0.563 31.942 32.500 0.008 0.000 0.715 384 K HN 0.592 nan 8.250 nan 0.000 0.451 385 Q N 0.750 120.563 119.800 0.021 0.000 2.062 385 Q HA -0.206 4.134 4.340 -0.000 0.000 0.209 385 Q C 2.038 178.056 176.000 0.029 0.000 0.996 385 Q CA 2.599 58.418 55.803 0.027 0.000 0.859 385 Q CB -0.002 28.758 28.738 0.037 0.000 0.920 385 Q HN 0.384 nan 8.270 nan 0.000 0.415 386 V N -3.105 116.832 119.914 0.038 0.000 3.354 386 V HA 0.237 4.356 4.120 -0.000 0.000 0.258 386 V C 1.939 178.045 176.094 0.020 0.000 1.159 386 V CA 0.978 63.300 62.300 0.037 0.000 1.125 386 V CB -0.546 31.317 31.823 0.066 0.000 0.774 386 V HN 0.374 nan 8.190 nan 0.000 0.464 387 A N 1.910 124.741 122.820 0.019 0.000 1.873 387 A HA 0.107 4.427 4.320 -0.000 0.000 0.215 387 A C 2.357 179.945 177.584 0.007 0.000 1.186 387 A CA 1.870 53.915 52.037 0.013 0.000 0.616 387 A CB -1.451 17.557 19.000 0.013 0.000 0.823 387 A HN 0.633 nan 8.150 nan 0.000 0.442 388 G N -0.218 108.585 108.800 0.005 0.000 2.446 388 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 388 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 388 G C 1.763 176.660 174.900 -0.005 0.000 1.168 388 G CA 2.311 47.411 45.100 0.001 0.000 0.771 388 G HN 0.633 nan 8.290 nan 0.000 0.551 389 T N -0.590 113.959 114.554 -0.010 0.000 2.708 389 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 389 T C 2.346 177.031 174.700 -0.025 0.000 1.037 389 T CA 1.618 63.705 62.100 -0.022 0.000 1.146 389 T CB -0.336 68.511 68.868 -0.034 0.000 0.865 389 T HN 0.260 nan 8.240 nan 0.000 0.435 390 M N 1.213 120.800 119.600 -0.021 0.000 2.065 390 M HA -0.144 4.336 4.480 -0.000 0.000 0.259 390 M C 2.509 178.803 176.300 -0.010 0.000 1.069 390 M CA 2.039 57.326 55.300 -0.022 0.000 1.110 390 M CB -0.278 32.314 32.600 -0.014 0.000 1.328 390 M HN 0.222 nan 8.290 nan 0.000 0.405 391 K N 0.059 120.458 120.400 -0.001 0.000 2.020 391 K HA -0.255 4.065 4.320 -0.000 0.000 0.212 391 K C 1.967 178.571 176.600 0.006 0.000 1.050 391 K CA 2.058 58.349 56.287 0.007 0.000 0.929 391 K CB -0.479 32.025 32.500 0.007 0.000 0.714 391 K HN 0.398 nan 8.250 nan 0.000 0.443 392 L N 1.834 123.055 121.223 -0.002 0.000 1.989 392 L HA -0.196 4.143 4.340 -0.000 0.000 0.211 392 L C 1.844 178.713 176.870 -0.002 0.000 1.071 392 L CA 1.927 56.764 54.840 -0.005 0.000 0.749 392 L CB -0.544 41.508 42.059 -0.012 0.000 0.890 392 L HN 0.256 nan 8.230 nan 0.000 0.431 393 E N -0.462 119.732 120.200 -0.009 0.000 2.085 393 E HA -0.253 4.096 4.350 -0.000 0.000 0.194 393 E C 2.291 178.908 176.600 0.029 0.000 0.994 393 E CA 1.722 58.117 56.400 -0.009 0.000 0.801 393 E CB -0.345 29.331 29.700 -0.040 0.000 0.743 393 E HN 0.530 nan 8.360 nan 0.000 0.453 394 L N 0.458 121.703 121.223 0.037 0.000 2.083 394 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 394 L C 2.567 179.504 176.870 0.112 0.000 1.083 394 L CA 0.908 55.808 54.840 0.100 0.000 0.752 394 L CB -0.483 41.618 42.059 0.071 0.000 0.899 394 L HN 0.172 nan 8.230 nan 0.000 0.433 395 A N -0.264 122.585 122.820 0.047 0.000 1.851 395 A HA -0.280 4.040 4.320 -0.000 0.000 0.216 395 A C 2.192 179.775 177.584 -0.000 0.000 1.195 395 A CA 1.758 53.803 52.037 0.013 0.000 0.622 395 A CB -0.626 18.373 19.000 -0.002 0.000 0.831 395 A HN 0.468 nan 8.150 nan 0.000 0.444 396 Q N -1.961 117.845 119.800 0.010 0.000 2.112 396 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 396 Q C 2.041 178.049 176.000 0.014 0.000 0.987 396 Q CA 1.935 57.734 55.803 -0.006 0.000 0.858 396 Q CB -0.459 28.279 28.738 0.001 0.000 0.905 396 Q HN 0.832 nan 8.270 nan 0.000 0.420 397 Y N 1.636 121.896 120.300 -0.067 0.000 2.070 397 Y HA -0.251 4.299 4.550 -0.000 0.000 0.280 397 Y C 2.109 177.963 175.900 -0.076 0.000 1.148 397 Y CA 1.744 59.806 58.100 -0.064 0.000 1.125 397 Y CB -0.308 38.124 38.460 -0.046 0.000 0.975 397 Y HN -0.092 nan 8.280 nan 0.000 0.492 398 R N 0.298 120.632 120.500 -0.277 0.000 2.105 398 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 398 R C 2.170 178.290 176.300 -0.300 0.000 1.135 398 R CA 1.853 57.730 56.100 -0.370 0.000 0.967 398 R CB -0.364 29.830 30.300 -0.176 0.000 0.861 398 R HN 0.548 nan 8.270 nan 0.000 0.442 399 E N -0.176 119.891 120.200 -0.223 0.000 2.204 399 E HA -0.134 4.215 4.350 -0.000 0.000 0.195 399 E C 1.161 177.520 176.600 -0.400 0.000 0.990 399 E CA 1.160 57.416 56.400 -0.241 0.000 0.821 399 E CB 0.263 29.858 29.700 -0.175 0.000 0.750 399 E HN 0.170 nan 8.360 nan 0.000 0.477 400 V N -0.341 119.331 119.914 -0.403 0.000 3.477 400 V HA 0.196 4.316 4.120 -0.000 0.000 0.297 400 V C 1.712 177.597 176.094 -0.348 0.000 1.433 400 V CA 0.553 62.522 62.300 -0.551 0.000 1.052 400 V CB 0.570 32.204 31.823 -0.315 0.000 0.895 400 V HN 0.184 nan 8.190 nan 0.000 0.438 401 A N 1.476 124.059 122.820 -0.394 0.000 1.915 401 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 401 A C 2.406 179.935 177.584 -0.093 0.000 1.198 401 A CA 2.660 54.454 52.037 -0.406 0.000 0.647 401 A CB -0.706 17.934 19.000 -0.601 0.000 0.825 401 A HN 0.681 nan 8.150 nan 0.000 0.456 402 A N -1.339 121.470 122.820 -0.019 0.000 1.933 402 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 402 A C 1.801 179.607 177.584 0.370 0.000 1.175 402 A CA 1.609 53.748 52.037 0.170 0.000 0.628 402 A CB -0.705 18.416 19.000 0.201 0.000 0.814 402 A HN 0.483 nan 8.150 nan 0.000 0.444 403 F N 0.102 120.062 119.950 0.016 0.000 2.451 403 F HA 0.078 4.605 4.527 -0.000 0.000 0.299 403 F C 2.549 178.409 175.800 0.101 0.000 1.101 403 F CA -0.200 57.838 58.000 0.063 0.000 1.436 403 F CB -1.214 37.807 39.000 0.035 0.000 1.074 403 F HN 0.289 nan 8.300 nan 0.000 0.553 404 A N 0.163 123.146 122.820 0.271 0.000 1.845 404 A HA -0.217 4.103 4.320 -0.000 0.000 0.215 404 A C 2.126 179.812 177.584 0.171 0.000 1.195 404 A CA 1.383 53.538 52.037 0.197 0.000 0.616 404 A CB -0.881 18.229 19.000 0.183 0.000 0.832 404 A HN 0.379 nan 8.150 nan 0.000 0.443 405 Q N -2.321 117.589 119.800 0.184 0.000 2.439 405 Q HA -0.038 4.302 4.340 -0.000 0.000 0.211 405 Q C -0.035 176.032 176.000 0.111 0.000 0.978 405 Q CA 0.716 56.605 55.803 0.144 0.000 0.897 405 Q CB -0.069 28.773 28.738 0.173 0.000 0.956 405 Q HN 0.656 nan 8.270 nan 0.000 0.483 406 F N -0.674 119.301 119.950 0.043 0.000 2.881 406 F HA 0.298 4.825 4.527 -0.000 0.000 0.343 406 F C 0.837 176.640 175.800 0.006 0.000 1.233 406 F CA -0.629 57.374 58.000 0.006 0.000 1.262 406 F CB 1.041 40.020 39.000 -0.034 0.000 0.980 406 F HN -0.154 nan 8.300 nan 0.000 0.506 407 G N 0.028 108.889 108.800 0.102 0.000 3.197 407 G HA2 0.096 4.056 3.960 -0.000 0.000 0.257 407 G HA3 0.096 4.056 3.960 -0.000 0.000 0.257 407 G C 0.871 175.789 174.900 0.030 0.000 0.835 407 G CA 0.178 45.328 45.100 0.084 0.000 2.001 407 G HN 0.330 nan 8.290 nan 0.000 0.625 408 S N 0.290 116.005 115.700 0.025 0.000 2.371 408 S HA -0.035 4.435 4.470 -0.000 0.000 0.224 408 S C 0.669 175.276 174.600 0.013 0.000 1.029 408 S CA 0.939 59.139 58.200 -0.000 0.000 0.978 408 S CB 0.170 63.375 63.200 0.008 0.000 0.833 408 S HN 0.648 nan 8.310 nan 0.000 0.466 409 D N -0.396 120.020 120.400 0.028 0.000 2.613 409 D HA 0.518 5.158 4.640 -0.000 0.000 0.230 409 D C -1.310 175.014 176.300 0.040 0.000 1.365 409 D CA -0.171 53.845 54.000 0.026 0.000 0.976 409 D CB 0.653 41.464 40.800 0.018 0.000 1.415 409 D HN 0.016 nan 8.370 nan 0.000 0.589 410 L N 2.384 123.635 121.223 0.047 0.000 2.327 410 L HA 0.538 4.878 4.340 -0.000 0.000 0.258 410 L C -0.376 176.523 176.870 0.050 0.000 1.024 410 L CA -1.200 53.679 54.840 0.065 0.000 0.825 410 L CB 2.039 44.154 42.059 0.092 0.000 1.386 410 L HN 0.440 nan 8.230 nan 0.000 0.417 411 D N 0.887 121.319 120.400 0.053 0.000 2.304 411 D HA 0.173 4.813 4.640 -0.000 0.000 0.247 411 D C 0.765 177.084 176.300 0.032 0.000 1.089 411 D CA -0.255 53.767 54.000 0.037 0.000 0.910 411 D CB 2.159 42.981 40.800 0.035 0.000 1.199 411 D HN 0.607 nan 8.370 nan 0.000 0.426 412 A N 2.396 125.228 122.820 0.019 0.000 1.958 412 A HA -0.190 4.130 4.320 -0.000 0.000 0.221 412 A C 2.186 179.775 177.584 0.009 0.000 1.178 412 A CA 2.534 54.578 52.037 0.011 0.000 0.642 412 A CB -0.929 18.073 19.000 0.002 0.000 0.816 412 A HN 0.769 nan 8.150 nan 0.000 0.453 413 A N -0.319 122.507 122.820 0.011 0.000 1.851 413 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 413 A C 2.505 180.098 177.584 0.014 0.000 1.195 413 A CA 2.895 54.936 52.037 0.006 0.000 0.622 413 A CB -1.592 17.412 19.000 0.006 0.000 0.831 413 A HN 0.862 nan 8.150 nan 0.000 0.444 414 T N -2.048 112.525 114.554 0.031 0.000 2.746 414 T HA -0.255 4.095 4.350 -0.000 0.000 0.267 414 T C 1.998 176.730 174.700 0.053 0.000 1.039 414 T CA 1.651 63.778 62.100 0.044 0.000 1.142 414 T CB -0.496 68.420 68.868 0.081 0.000 0.866 414 T HN 0.579 nan 8.240 nan 0.000 0.444 415 Q N 0.586 120.415 119.800 0.048 0.000 2.061 415 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 415 Q C 2.597 178.609 176.000 0.020 0.000 0.984 415 Q CA 1.937 57.766 55.803 0.043 0.000 0.846 415 Q CB -0.247 28.509 28.738 0.030 0.000 0.902 415 Q HN 0.581 nan 8.270 nan 0.000 0.421 416 Q N 0.536 120.337 119.800 0.002 0.000 2.096 416 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 416 Q C 1.960 177.944 176.000 -0.026 0.000 0.982 416 Q CA 1.652 57.441 55.803 -0.023 0.000 0.850 416 Q CB -0.403 28.316 28.738 -0.031 0.000 0.901 416 Q HN 0.542 nan 8.270 nan 0.000 0.422 417 L N -0.444 120.780 121.223 0.001 0.000 2.042 417 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 417 L C 2.348 179.248 176.870 0.050 0.000 1.076 417 L CA 1.068 55.920 54.840 0.020 0.000 0.749 417 L CB -0.514 41.569 42.059 0.040 0.000 0.893 417 L HN 0.277 nan 8.230 nan 0.000 0.432 418 L N -1.282 119.993 121.223 0.086 0.000 2.093 418 L HA -0.148 4.191 4.340 -0.000 0.000 0.208 418 L C 2.708 179.523 176.870 -0.091 0.000 1.085 418 L CA 0.810 55.725 54.840 0.125 0.000 0.755 418 L CB -0.519 41.639 42.059 0.165 0.000 0.904 418 L HN 0.164 nan 8.230 nan 0.000 0.435 419 S N -0.384 115.273 115.700 -0.072 0.000 2.343 419 S HA -0.141 4.329 4.470 -0.000 0.000 0.219 419 S C 2.114 176.609 174.600 -0.175 0.000 1.033 419 S CA 1.022 59.157 58.200 -0.109 0.000 1.014 419 S CB -0.227 62.926 63.200 -0.079 0.000 0.915 419 S HN 0.304 nan 8.310 nan 0.000 0.435 420 R N 0.847 121.248 120.500 -0.165 0.000 2.091 420 R HA -0.063 4.277 4.340 -0.000 0.000 0.238 420 R C 2.554 178.690 176.300 -0.272 0.000 1.136 420 R CA 1.424 57.413 56.100 -0.185 0.000 0.959 420 R CB -1.450 28.766 30.300 -0.139 0.000 0.856 420 R HN 0.520 nan 8.270 nan 0.000 0.437 421 G N 1.003 109.558 108.800 -0.408 0.000 2.545 421 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 421 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 421 G C 1.564 175.945 174.900 -0.866 0.000 1.218 421 G CA 1.932 46.517 45.100 -0.860 0.000 0.787 421 G HN 0.312 nan 8.290 nan 0.000 0.571 422 V N -0.642 118.807 119.914 -0.774 0.000 2.332 422 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 422 V C 2.749 178.703 176.094 -0.234 0.000 1.055 422 V CA 2.284 64.347 62.300 -0.395 0.000 1.038 422 V CB -0.746 30.953 31.823 -0.207 0.000 0.651 422 V HN 0.167 nan 8.190 nan 0.000 0.450 423 R N 0.763 121.131 120.500 -0.221 0.000 2.073 423 R HA 0.100 4.440 4.340 -0.000 0.000 0.234 423 R C 2.305 178.520 176.300 -0.141 0.000 1.134 423 R CA 1.903 57.906 56.100 -0.162 0.000 0.952 423 R CB -1.204 28.993 30.300 -0.173 0.000 0.850 423 R HN 0.574 nan 8.270 nan 0.000 0.433 424 L N -0.292 120.835 121.223 -0.160 0.000 2.083 424 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 424 L C 2.036 178.857 176.870 -0.081 0.000 1.083 424 L CA 1.575 56.349 54.840 -0.111 0.000 0.752 424 L CB -0.750 41.244 42.059 -0.110 0.000 0.899 424 L HN 0.257 nan 8.230 nan 0.000 0.433 425 T N -0.917 113.575 114.554 -0.103 0.000 2.746 425 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 425 T C 1.773 176.452 174.700 -0.035 0.000 1.039 425 T CA 1.121 63.192 62.100 -0.048 0.000 1.142 425 T CB -0.106 68.739 68.868 -0.038 0.000 0.866 425 T HN 0.308 nan 8.240 nan 0.000 0.444 426 E N 1.238 121.409 120.200 -0.048 0.000 2.106 426 E HA 0.023 4.373 4.350 -0.000 0.000 0.192 426 E C 2.274 178.865 176.600 -0.016 0.000 0.984 426 E CA 0.638 57.021 56.400 -0.027 0.000 0.806 426 E CB -0.411 29.272 29.700 -0.029 0.000 0.750 426 E HN 0.482 nan 8.360 nan 0.000 0.458 427 L N 0.374 121.583 121.223 -0.023 0.000 2.201 427 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 427 L C 2.320 179.190 176.870 0.000 0.000 1.105 427 L CA 0.501 55.339 54.840 -0.004 0.000 0.775 427 L CB -0.316 41.736 42.059 -0.011 0.000 0.913 427 L HN 0.064 nan 8.230 nan 0.000 0.440 428 L N -0.410 120.807 121.223 -0.009 0.000 2.552 428 L HA -0.036 4.304 4.340 -0.000 0.000 0.227 428 L C 0.819 177.679 176.870 -0.016 0.000 1.146 428 L CA 0.388 55.224 54.840 -0.007 0.000 0.858 428 L CB -0.304 41.752 42.059 -0.004 0.000 0.969 428 L HN 0.163 nan 8.230 nan 0.000 0.451 429 K N 1.181 121.569 120.400 -0.019 0.000 2.270 429 K HA 0.260 4.580 4.320 -0.000 0.000 0.276 429 K C -0.186 176.398 176.600 -0.028 0.000 1.023 429 K CA 0.035 56.301 56.287 -0.035 0.000 0.955 429 K CB 1.000 33.480 32.500 -0.034 0.000 0.975 429 K HN -0.024 nan 8.250 nan 0.000 0.471 430 Q N 0.890 120.662 119.800 -0.046 0.000 2.320 430 Q HA 0.294 4.634 4.340 -0.000 0.000 0.272 430 Q C -0.813 175.153 176.000 -0.057 0.000 1.023 430 Q CA -0.655 55.126 55.803 -0.036 0.000 0.855 430 Q CB 1.793 30.513 28.738 -0.030 0.000 1.367 430 Q HN 0.817 nan 8.270 nan 0.000 0.406 431 G N 2.027 110.804 108.800 -0.038 0.000 2.544 431 G HA2 0.075 4.035 3.960 -0.000 0.000 0.242 431 G HA3 0.075 4.035 3.960 -0.000 0.000 0.242 431 G C -0.513 174.340 174.900 -0.078 0.000 1.247 431 G CA -0.147 44.927 45.100 -0.044 0.000 0.840 431 G HN 0.660 nan 8.290 nan 0.000 0.578 432 Q N -0.331 119.384 119.800 -0.142 0.000 2.354 432 Q HA 0.281 4.621 4.340 -0.000 0.000 0.244 432 Q C -0.298 175.562 176.000 -0.232 0.000 0.969 432 Q CA -0.454 55.146 55.803 -0.337 0.000 0.885 432 Q CB 0.263 28.627 28.738 -0.622 0.000 1.241 432 Q HN 0.646 nan 8.270 nan 0.000 0.461 433 Y N -0.568 119.727 120.300 -0.008 0.000 4.668 433 Y HA -0.271 4.279 4.550 -0.000 0.000 0.234 433 Y C -0.218 175.673 175.900 -0.015 0.000 1.056 433 Y CA 0.950 59.042 58.100 -0.014 0.000 2.025 433 Y CB -2.466 35.986 38.460 -0.014 0.000 1.613 433 Y HN 0.484 nan 8.280 nan 0.000 0.653 434 S N -0.880 114.864 115.700 0.073 0.000 2.204 434 S HA 0.482 4.952 4.470 -0.000 0.000 0.147 434 S C -2.632 171.974 174.600 0.010 0.000 1.711 434 S CA -1.101 57.124 58.200 0.043 0.000 1.274 434 S CB 1.860 65.084 63.200 0.039 0.000 1.257 434 S HN 0.113 nan 8.310 nan 0.000 0.404 435 P HA 0.274 nan 4.420 nan 0.000 0.282 435 P C -0.046 177.244 177.300 -0.017 0.000 1.274 435 P CA -0.331 62.766 63.100 -0.005 0.000 0.770 435 P CB 0.841 32.540 31.700 -0.000 0.000 0.867 436 M N 2.064 121.656 119.600 -0.013 0.000 2.359 436 M HA 0.706 5.186 4.480 -0.000 0.000 0.322 436 M C 0.121 176.411 176.300 -0.017 0.000 1.166 436 M CA -0.939 54.349 55.300 -0.020 0.000 1.067 436 M CB 1.183 33.774 32.600 -0.014 0.000 1.523 436 M HN 0.168 nan 8.290 nan 0.000 0.467 437 A N 1.459 124.262 122.820 -0.028 0.000 2.366 437 A HA 0.292 4.611 4.320 -0.000 0.000 0.249 437 A C 0.866 178.457 177.584 0.011 0.000 1.084 437 A CA -0.570 51.459 52.037 -0.013 0.000 0.794 437 A CB 0.125 19.105 19.000 -0.033 0.000 1.034 437 A HN 0.982 nan 8.150 nan 0.000 0.491 438 I N 0.322 120.915 120.570 0.038 0.000 2.264 438 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 438 I C 1.933 178.062 176.117 0.020 0.000 1.111 438 I CA 2.096 63.419 61.300 0.037 0.000 1.382 438 I CB -0.404 37.626 38.000 0.050 0.000 1.060 438 I HN 0.825 nan 8.210 nan 0.000 0.418 439 E N 0.381 120.585 120.200 0.008 0.000 2.106 439 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 439 E C 2.096 178.685 176.600 -0.019 0.000 0.984 439 E CA 1.596 57.991 56.400 -0.009 0.000 0.806 439 E CB -0.327 29.359 29.700 -0.024 0.000 0.750 439 E HN 0.591 nan 8.360 nan 0.000 0.458 440 E N 0.735 120.920 120.200 -0.025 0.000 2.106 440 E HA -0.189 4.160 4.350 -0.000 0.000 0.192 440 E C 2.161 178.763 176.600 0.003 0.000 0.984 440 E CA 0.917 57.295 56.400 -0.036 0.000 0.806 440 E CB -0.078 29.595 29.700 -0.045 0.000 0.750 440 E HN 0.335 nan 8.360 nan 0.000 0.458 441 Q N 0.408 120.218 119.800 0.016 0.000 2.020 441 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 441 Q C 2.640 178.673 176.000 0.055 0.000 0.982 441 Q CA 1.976 57.800 55.803 0.034 0.000 0.838 441 Q CB -0.343 28.413 28.738 0.029 0.000 0.899 441 Q HN 0.333 nan 8.270 nan 0.000 0.423 442 V N -1.551 118.393 119.914 0.051 0.000 2.490 442 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 442 V C 2.105 178.271 176.094 0.119 0.000 1.061 442 V CA 1.681 64.026 62.300 0.075 0.000 1.064 442 V CB -1.156 30.700 31.823 0.056 0.000 0.670 442 V HN 0.300 nan 8.190 nan 0.000 0.461 443 A N 1.587 124.462 122.820 0.092 0.000 1.858 443 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 443 A C 2.488 180.257 177.584 0.309 0.000 1.190 443 A CA 2.829 54.950 52.037 0.140 0.000 0.617 443 A CB -1.081 17.929 19.000 0.016 0.000 0.827 443 A HN 1.205 nan 8.150 nan 0.000 0.443 444 V N -1.873 118.187 119.914 0.243 0.000 2.515 444 V HA -0.155 3.965 4.120 -0.000 0.000 0.250 444 V C 2.114 178.306 176.094 0.164 0.000 1.058 444 V CA 1.597 64.051 62.300 0.257 0.000 1.064 444 V CB -0.914 31.014 31.823 0.175 0.000 0.675 444 V HN 0.404 nan 8.190 nan 0.000 0.461 445 I N -0.042 120.610 120.570 0.135 0.000 2.315 445 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 445 I C 2.544 178.722 176.117 0.101 0.000 1.117 445 I CA 2.083 63.435 61.300 0.086 0.000 1.404 445 I CB -1.431 36.612 38.000 0.072 0.000 1.071 445 I HN 0.492 nan 8.210 nan 0.000 0.419 446 Y N 2.294 122.624 120.300 0.050 0.000 2.114 446 Y HA -0.298 4.252 4.550 -0.000 0.000 0.282 446 Y C 2.644 178.586 175.900 0.070 0.000 1.165 446 Y CA 2.132 60.270 58.100 0.062 0.000 1.148 446 Y CB -0.312 38.200 38.460 0.087 0.000 0.972 446 Y HN 0.125 nan 8.280 nan 0.000 0.504 447 A N 0.224 123.151 122.820 0.179 0.000 1.873 447 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 447 A C 2.485 180.024 177.584 -0.075 0.000 1.193 447 A CA 2.260 54.308 52.037 0.019 0.000 0.629 447 A CB -1.782 17.112 19.000 -0.178 0.000 0.826 447 A HN 0.625 nan 8.150 nan 0.000 0.447 448 G N -1.033 107.705 108.800 -0.104 0.000 2.404 448 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.214 448 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.214 448 G C 1.523 176.315 174.900 -0.180 0.000 1.189 448 G CA 1.113 46.123 45.100 -0.151 0.000 0.789 448 G HN 0.329 nan 8.290 nan 0.000 0.533 449 V N 1.162 120.982 119.914 -0.158 0.000 2.287 449 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 449 V C 2.819 178.755 176.094 -0.263 0.000 1.053 449 V CA 1.672 63.868 62.300 -0.173 0.000 1.027 449 V CB -0.393 31.355 31.823 -0.125 0.000 0.646 449 V HN 0.207 nan 8.190 nan 0.000 0.447 450 R N 0.062 120.329 120.500 -0.388 0.000 2.339 450 R HA 0.089 4.429 4.340 -0.000 0.000 0.199 450 R C 1.749 177.651 176.300 -0.663 0.000 1.018 450 R CA 0.795 56.562 56.100 -0.554 0.000 1.036 450 R CB -0.810 29.030 30.300 -0.766 0.000 0.899 450 R HN 0.694 nan 8.270 nan 0.000 0.473 451 G N 0.254 108.768 108.800 -0.476 0.000 2.141 451 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.242 451 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.242 451 G C 0.021 174.669 174.900 -0.420 0.000 0.982 451 G CA 0.020 44.871 45.100 -0.414 0.000 0.662 451 G HN 0.389 nan 8.290 nan 0.000 0.527 452 Y N -0.036 120.115 120.300 -0.248 0.000 2.550 452 Y HA 0.560 5.110 4.550 -0.000 0.000 0.351 452 Y C 1.891 177.562 175.900 -0.380 0.000 1.160 452 Y CA 0.544 58.489 58.100 -0.257 0.000 1.337 452 Y CB 0.005 38.322 38.460 -0.239 0.000 1.196 452 Y HN 0.354 nan 8.280 nan 0.000 0.498 453 L N -1.732 119.345 121.223 -0.244 0.000 3.888 453 L HA 0.098 4.438 4.340 -0.000 0.000 0.369 453 L C 0.746 177.490 176.870 -0.209 0.000 1.200 453 L CA 0.044 54.696 54.840 -0.314 0.000 1.268 453 L CB 0.495 42.338 42.059 -0.361 0.000 1.573 453 L HN -0.022 nan 8.230 nan 0.000 0.632 454 D N 1.334 121.627 120.400 -0.179 0.000 2.218 454 D HA -0.139 4.501 4.640 -0.000 0.000 0.204 454 D C 1.804 178.043 176.300 -0.102 0.000 0.976 454 D CA 1.295 55.211 54.000 -0.141 0.000 0.853 454 D CB 0.264 40.980 40.800 -0.140 0.000 0.939 454 D HN 0.317 nan 8.370 nan 0.000 0.481 455 K N -0.435 119.910 120.400 -0.092 0.000 2.202 455 K HA 0.060 4.380 4.320 -0.000 0.000 0.201 455 K C 0.644 177.220 176.600 -0.039 0.000 1.051 455 K CA -0.413 55.842 56.287 -0.053 0.000 0.977 455 K CB 0.224 32.704 32.500 -0.033 0.000 0.792 455 K HN 0.015 nan 8.250 nan 0.000 0.469 456 L N 2.933 124.118 121.223 -0.063 0.000 2.490 456 L HA -0.007 4.333 4.340 -0.000 0.000 0.274 456 L C 0.144 177.003 176.870 -0.019 0.000 1.201 456 L CA 0.402 55.225 54.840 -0.028 0.000 0.869 456 L CB 0.297 42.293 42.059 -0.105 0.000 1.123 456 L HN 0.087 nan 8.230 nan 0.000 0.484 457 E N 6.310 126.528 120.200 0.029 0.000 2.414 457 E HA 0.013 4.363 4.350 -0.000 0.000 0.263 457 E C -1.729 174.885 176.600 0.022 0.000 1.000 457 E CA -1.161 55.254 56.400 0.025 0.000 0.914 457 E CB 0.965 30.692 29.700 0.045 0.000 0.948 457 E HN 0.543 nan 8.360 nan 0.000 0.444 458 P HA -0.254 nan 4.420 nan 0.000 0.217 458 P C 1.115 178.431 177.300 0.027 0.000 1.151 458 P CA 1.897 64.995 63.100 -0.005 0.000 0.849 458 P CB 0.138 31.832 31.700 -0.009 0.000 0.787 459 S N -0.908 114.819 115.700 0.045 0.000 2.382 459 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 459 S C 1.675 176.338 174.600 0.104 0.000 1.027 459 S CA 1.236 59.474 58.200 0.064 0.000 0.991 459 S CB -0.811 62.424 63.200 0.058 0.000 0.823 459 S HN 0.097 nan 8.310 nan 0.000 0.469 460 K N 0.956 121.439 120.400 0.138 0.000 2.365 460 K HA 0.320 4.640 4.320 -0.000 0.000 0.197 460 K C 1.745 178.496 176.600 0.251 0.000 1.042 460 K CA 0.209 56.651 56.287 0.260 0.000 0.987 460 K CB -0.368 32.349 32.500 0.362 0.000 0.779 460 K HN 0.295 nan 8.250 nan 0.000 0.484 461 I N 1.097 121.735 120.570 0.112 0.000 2.163 461 I HA -0.277 3.893 4.170 -0.000 0.000 0.243 461 I C 1.579 177.760 176.117 0.107 0.000 1.085 461 I CA 1.660 62.984 61.300 0.041 0.000 1.347 461 I CB -1.557 36.424 38.000 -0.032 0.000 1.044 461 I HN 0.156 nan 8.210 nan 0.000 0.408 462 T N 0.787 115.403 114.554 0.104 0.000 2.759 462 T HA -0.233 4.117 4.350 -0.000 0.000 0.269 462 T C 1.968 176.760 174.700 0.153 0.000 1.042 462 T CA 1.663 63.825 62.100 0.102 0.000 1.140 462 T CB -0.165 68.749 68.868 0.077 0.000 0.864 462 T HN 0.355 nan 8.240 nan 0.000 0.455 463 K N 0.011 120.546 120.400 0.224 0.000 2.062 463 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 463 K C 2.083 178.879 176.600 0.327 0.000 1.051 463 K CA 0.901 57.372 56.287 0.306 0.000 0.941 463 K CB -0.301 32.455 32.500 0.427 0.000 0.719 463 K HN 0.282 nan 8.250 nan 0.000 0.440 464 F N 2.531 122.495 119.950 0.024 0.000 2.069 464 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 464 F C 2.340 178.097 175.800 -0.072 0.000 1.113 464 F CA 2.160 59.938 58.000 -0.370 0.000 1.214 464 F CB -0.324 38.291 39.000 -0.641 0.000 0.978 464 F HN 0.206 nan 8.300 nan 0.000 0.474 465 E N 0.098 120.453 120.200 0.258 0.000 2.086 465 E HA -0.376 3.974 4.350 -0.000 0.000 0.200 465 E C 2.055 178.721 176.600 0.110 0.000 1.012 465 E CA 1.772 58.295 56.400 0.205 0.000 0.812 465 E CB -0.478 29.309 29.700 0.146 0.000 0.743 465 E HN 0.536 nan 8.360 nan 0.000 0.453 466 N N 0.166 118.925 118.700 0.099 0.000 2.025 466 N HA -0.193 4.547 4.740 -0.000 0.000 0.194 466 N C 1.741 177.286 175.510 0.058 0.000 1.044 466 N CA 2.414 55.509 53.050 0.075 0.000 0.851 466 N CB -0.455 38.091 38.487 0.099 0.000 1.036 466 N HN 0.221 nan 8.380 nan 0.000 0.422 467 A N -0.570 122.315 122.820 0.108 0.000 1.902 467 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 467 A C 2.224 179.822 177.584 0.024 0.000 1.181 467 A CA 1.414 53.565 52.037 0.190 0.000 0.623 467 A CB -1.243 18.016 19.000 0.432 0.000 0.818 467 A HN 0.521 nan 8.150 nan 0.000 0.443 468 F N 0.185 119.801 119.950 -0.556 0.000 2.051 468 F HA -0.121 4.405 4.527 -0.000 0.000 0.296 468 F C 1.888 177.433 175.800 -0.425 0.000 1.122 468 F CA 1.741 59.134 58.000 -1.011 0.000 1.201 468 F CB -0.651 37.721 39.000 -1.046 0.000 0.978 468 F HN 0.189 nan 8.300 nan 0.000 0.472 469 L N 0.307 121.314 121.223 -0.360 0.000 1.990 469 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 469 L C 2.459 179.160 176.870 -0.281 0.000 1.072 469 L CA 2.399 57.028 54.840 -0.351 0.000 0.755 469 L CB -1.311 40.680 42.059 -0.112 0.000 0.889 469 L HN 0.192 nan 8.230 nan 0.000 0.432 470 S N -1.589 114.028 115.700 -0.139 0.000 2.400 470 S HA -0.256 4.214 4.470 -0.000 0.000 0.232 470 S C 1.904 176.481 174.600 -0.038 0.000 1.025 470 S CA 1.304 59.467 58.200 -0.062 0.000 0.993 470 S CB -0.656 62.547 63.200 0.005 0.000 0.808 470 S HN 0.721 nan 8.310 nan 0.000 0.478 471 H N 2.058 121.018 119.070 -0.183 0.000 2.326 471 H HA -0.021 4.535 4.556 -0.000 0.000 0.301 471 H C 2.106 177.335 175.328 -0.165 0.000 1.081 471 H CA 1.934 57.912 56.048 -0.117 0.000 1.334 471 H CB -0.692 29.038 29.762 -0.052 0.000 1.385 471 H HN 0.235 nan 8.280 nan 0.000 0.504 472 V N -0.674 118.901 119.914 -0.564 0.000 2.427 472 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 472 V C 2.496 178.425 176.094 -0.275 0.000 1.051 472 V CA 1.938 63.916 62.300 -0.538 0.000 1.048 472 V CB -0.946 30.453 31.823 -0.707 0.000 0.666 472 V HN 0.397 nan 8.190 nan 0.000 0.456 473 I N 0.892 121.322 120.570 -0.233 0.000 2.567 473 I HA -0.163 4.007 4.170 -0.000 0.000 0.257 473 I C 2.582 178.639 176.117 -0.099 0.000 1.184 473 I CA 1.615 62.830 61.300 -0.142 0.000 1.451 473 I CB -0.319 37.612 38.000 -0.116 0.000 1.089 473 I HN 0.493 nan 8.210 nan 0.000 0.441 474 S N 0.637 116.284 115.700 -0.089 0.000 2.356 474 S HA -0.028 4.442 4.470 -0.000 0.000 0.179 474 S C 1.389 175.945 174.600 -0.073 0.000 0.940 474 S CA 0.319 58.491 58.200 -0.046 0.000 0.955 474 S CB -0.051 63.162 63.200 0.022 0.000 0.861 474 S HN 0.357 nan 8.310 nan 0.000 0.527 475 Q N 0.089 119.845 119.800 -0.074 0.000 2.283 475 Q HA 0.152 4.492 4.340 -0.000 0.000 0.223 475 Q C -0.619 175.151 176.000 -0.382 0.000 0.918 475 Q CA 0.332 56.039 55.803 -0.160 0.000 0.952 475 Q CB -0.045 28.660 28.738 -0.055 0.000 1.030 475 Q HN 0.616 nan 8.270 nan 0.000 0.452 476 H N -1.440 117.510 119.070 -0.200 0.000 3.553 476 H HA 0.080 4.636 4.556 -0.000 0.000 0.246 476 H C 0.720 175.945 175.328 -0.171 0.000 1.259 476 H CA -0.117 55.809 56.048 -0.204 0.000 1.055 476 H CB 0.608 30.189 29.762 -0.301 0.000 2.978 476 H HN 0.054 nan 8.280 nan 0.000 0.648 477 Q N 0.391 120.149 119.800 -0.070 0.000 2.181 477 Q HA -0.085 4.255 4.340 -0.000 0.000 0.205 477 Q C 2.257 178.226 176.000 -0.052 0.000 0.980 477 Q CA 1.290 57.053 55.803 -0.066 0.000 0.862 477 Q CB 0.047 28.745 28.738 -0.066 0.000 0.905 477 Q HN 0.614 nan 8.270 nan 0.000 0.429 478 A N 0.835 123.626 122.820 -0.049 0.000 1.902 478 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 478 A C 2.160 179.730 177.584 -0.023 0.000 1.181 478 A CA 1.134 53.149 52.037 -0.036 0.000 0.623 478 A CB -0.752 18.223 19.000 -0.041 0.000 0.818 478 A HN 0.374 nan 8.150 nan 0.000 0.443 479 L N -0.433 120.787 121.223 -0.004 0.000 1.994 479 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 479 L C 2.537 179.373 176.870 -0.056 0.000 1.071 479 L CA 1.452 56.278 54.840 -0.024 0.000 0.745 479 L CB -0.305 41.736 42.059 -0.031 0.000 0.892 479 L HN 0.441 nan 8.230 nan 0.000 0.431 480 L N -0.694 120.488 121.223 -0.069 0.000 2.042 480 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 480 L C 2.611 179.453 176.870 -0.048 0.000 1.076 480 L CA 1.458 56.255 54.840 -0.072 0.000 0.749 480 L CB -1.367 40.641 42.059 -0.084 0.000 0.893 480 L HN 0.397 nan 8.230 nan 0.000 0.432 481 G N -0.118 108.657 108.800 -0.041 0.000 2.418 481 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.217 481 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.217 481 G C 1.694 176.579 174.900 -0.024 0.000 1.158 481 G CA 0.500 45.582 45.100 -0.030 0.000 0.771 481 G HN 0.302 nan 8.290 nan 0.000 0.545 482 K N -0.047 120.337 120.400 -0.026 0.000 2.057 482 K HA 0.015 4.335 4.320 -0.000 0.000 0.207 482 K C 2.424 179.012 176.600 -0.021 0.000 1.049 482 K CA 0.913 57.188 56.287 -0.022 0.000 0.931 482 K CB -0.261 32.226 32.500 -0.023 0.000 0.714 482 K HN 0.341 nan 8.250 nan 0.000 0.440 483 I N 0.718 121.272 120.570 -0.028 0.000 2.194 483 I HA -0.336 3.834 4.170 -0.000 0.000 0.246 483 I C 2.741 178.852 176.117 -0.011 0.000 1.093 483 I CA 1.307 62.594 61.300 -0.022 0.000 1.355 483 I CB -0.300 37.682 38.000 -0.030 0.000 1.046 483 I HN 0.198 nan 8.210 nan 0.000 0.413 484 R N 0.629 121.123 120.500 -0.010 0.000 2.062 484 R HA -0.146 4.193 4.340 -0.000 0.000 0.231 484 R C 2.356 178.655 176.300 -0.002 0.000 1.136 484 R CA 2.180 58.279 56.100 -0.002 0.000 0.948 484 R CB -0.353 29.948 30.300 0.001 0.000 0.845 484 R HN 0.272 nan 8.270 nan 0.000 0.430 485 T N 1.184 115.735 114.554 -0.006 0.000 2.665 485 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 485 T C 1.161 175.859 174.700 -0.004 0.000 1.035 485 T CA 1.705 63.802 62.100 -0.005 0.000 1.151 485 T CB -0.287 68.576 68.868 -0.008 0.000 0.862 485 T HN 0.360 nan 8.240 nan 0.000 0.438 486 D N 0.234 120.631 120.400 -0.005 0.000 2.323 486 D HA 0.113 4.753 4.640 -0.000 0.000 0.209 486 D C 1.821 178.120 176.300 -0.000 0.000 0.973 486 D CA 0.893 54.892 54.000 -0.003 0.000 0.874 486 D CB -0.127 40.671 40.800 -0.003 0.000 0.930 486 D HN 0.543 nan 8.370 nan 0.000 0.521 487 G N 1.919 110.719 108.800 -0.000 0.000 2.168 487 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.263 487 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.263 487 G C 0.349 175.252 174.900 0.005 0.000 0.977 487 G CA 1.272 46.373 45.100 0.002 0.000 0.659 487 G HN 0.548 nan 8.290 nan 0.000 0.533 488 K N -2.133 118.270 120.400 0.006 0.000 2.680 488 K HA 0.658 4.978 4.320 -0.000 0.000 0.295 488 K C -1.128 175.478 176.600 0.010 0.000 1.052 488 K CA -1.362 54.933 56.287 0.012 0.000 0.863 488 K CB 0.405 32.914 32.500 0.015 0.000 1.549 488 K HN 0.112 nan 8.250 nan 0.000 0.391 489 I N 2.900 123.483 120.570 0.022 0.000 2.329 489 I HA 0.102 4.271 4.170 -0.000 0.000 0.295 489 I C -0.096 176.033 176.117 0.019 0.000 1.109 489 I CA 0.355 61.666 61.300 0.017 0.000 1.297 489 I CB 0.554 38.586 38.000 0.053 0.000 1.433 489 I HN 0.624 nan 8.210 nan 0.000 0.509 490 S N 3.609 119.312 115.700 0.004 0.000 2.593 490 S HA 0.124 4.594 4.470 -0.000 0.000 0.269 490 S C 1.246 175.854 174.600 0.013 0.000 1.334 490 S CA -0.672 57.533 58.200 0.008 0.000 1.015 490 S CB 0.955 64.155 63.200 0.000 0.000 0.912 490 S HN 0.716 nan 8.310 nan 0.000 0.541 491 E N 1.022 121.234 120.200 0.020 0.000 2.085 491 E HA -0.230 4.119 4.350 -0.000 0.000 0.194 491 E C 1.682 178.294 176.600 0.021 0.000 0.994 491 E CA 1.569 57.986 56.400 0.028 0.000 0.801 491 E CB -0.098 29.618 29.700 0.026 0.000 0.743 491 E HN 0.804 nan 8.360 nan 0.000 0.453 492 E N -0.016 120.190 120.200 0.010 0.000 2.017 492 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 492 E C 2.275 178.869 176.600 -0.010 0.000 0.997 492 E CA 1.449 57.852 56.400 0.004 0.000 0.804 492 E CB -0.095 29.606 29.700 0.002 0.000 0.757 492 E HN 0.148 nan 8.360 nan 0.000 0.448 493 S N 1.030 116.714 115.700 -0.026 0.000 2.419 493 S HA -0.181 4.289 4.470 -0.000 0.000 0.233 493 S C 1.636 176.172 174.600 -0.107 0.000 1.016 493 S CA 1.063 59.224 58.200 -0.065 0.000 0.974 493 S CB -0.251 62.907 63.200 -0.069 0.000 0.786 493 S HN 0.306 nan 8.310 nan 0.000 0.492 494 D N 1.379 121.749 120.400 -0.050 0.000 2.117 494 D HA -0.059 4.581 4.640 -0.000 0.000 0.198 494 D C 2.011 178.329 176.300 0.029 0.000 0.982 494 D CA 1.156 55.152 54.000 -0.007 0.000 0.828 494 D CB -0.046 40.813 40.800 0.099 0.000 0.967 494 D HN 0.398 nan 8.370 nan 0.000 0.464 495 A N 0.943 123.781 122.820 0.029 0.000 1.929 495 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 495 A C 2.191 179.780 177.584 0.010 0.000 1.176 495 A CA 1.241 53.305 52.037 0.044 0.000 0.628 495 A CB -0.358 18.666 19.000 0.039 0.000 0.816 495 A HN 0.155 nan 8.150 nan 0.000 0.444 496 K N -0.226 120.157 120.400 -0.028 0.000 2.002 496 K HA -0.045 4.275 4.320 -0.000 0.000 0.209 496 K C 1.872 178.407 176.600 -0.109 0.000 1.048 496 K CA 1.379 57.638 56.287 -0.045 0.000 0.930 496 K CB -0.330 32.144 32.500 -0.043 0.000 0.714 496 K HN 0.435 nan 8.250 nan 0.000 0.438 497 L N 1.139 122.243 121.223 -0.199 0.000 2.079 497 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 497 L C 2.663 179.437 176.870 -0.160 0.000 1.081 497 L CA 1.415 56.076 54.840 -0.298 0.000 0.752 497 L CB -0.375 41.254 42.059 -0.718 0.000 0.896 497 L HN 0.287 nan 8.230 nan 0.000 0.433 498 K N 0.273 120.652 120.400 -0.035 0.000 2.032 498 K HA -0.251 4.069 4.320 -0.000 0.000 0.209 498 K C 2.037 178.604 176.600 -0.055 0.000 1.048 498 K CA 1.695 58.005 56.287 0.038 0.000 0.927 498 K CB -0.048 32.556 32.500 0.173 0.000 0.712 498 K HN 0.268 nan 8.250 nan 0.000 0.441 499 E N 0.256 120.450 120.200 -0.010 0.000 2.150 499 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 499 E C 1.998 178.612 176.600 0.022 0.000 0.985 499 E CA 0.924 57.333 56.400 0.016 0.000 0.814 499 E CB 0.031 29.752 29.700 0.036 0.000 0.752 499 E HN 0.376 nan 8.360 nan 0.000 0.466 500 I N 0.473 121.036 120.570 -0.010 0.000 2.193 500 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 500 I C 2.588 178.785 176.117 0.134 0.000 1.084 500 I CA 0.921 62.254 61.300 0.055 0.000 1.365 500 I CB -0.463 37.484 38.000 -0.089 0.000 1.064 500 I HN 0.085 nan 8.210 nan 0.000 0.410 501 V N -0.646 119.246 119.914 -0.036 0.000 2.343 501 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 501 V C 2.540 178.589 176.094 -0.075 0.000 1.051 501 V CA 2.331 64.521 62.300 -0.182 0.000 1.036 501 V CB -1.983 29.452 31.823 -0.648 0.000 0.654 501 V HN 0.590 nan 8.190 nan 0.000 0.451 502 T N -1.094 113.382 114.554 -0.129 0.000 2.737 502 T HA -0.165 4.185 4.350 -0.000 0.000 0.265 502 T C 1.864 176.630 174.700 0.110 0.000 1.038 502 T CA 1.702 63.812 62.100 0.017 0.000 1.144 502 T CB -0.786 68.106 68.868 0.040 0.000 0.866 502 T HN 0.471 nan 8.240 nan 0.000 0.434 503 N N 0.694 119.467 118.700 0.122 0.000 2.188 503 N HA 0.048 4.788 4.740 -0.000 0.000 0.184 503 N C 1.434 177.051 175.510 0.178 0.000 1.018 503 N CA 0.791 53.922 53.050 0.135 0.000 0.858 503 N CB -0.612 37.955 38.487 0.133 0.000 0.989 503 N HN 0.445 nan 8.380 nan 0.000 0.426 504 F N 1.539 121.556 119.950 0.112 0.000 2.146 504 F HA 0.008 4.535 4.527 -0.000 0.000 0.298 504 F C 2.183 178.106 175.800 0.204 0.000 1.096 504 F CA 0.743 58.821 58.000 0.130 0.000 1.275 504 F CB -0.244 38.847 39.000 0.152 0.000 1.008 504 F HN -0.058 nan 8.300 nan 0.000 0.480 505 L N -0.227 121.274 121.223 0.464 0.000 1.990 505 L HA -0.305 4.035 4.340 -0.000 0.000 0.213 505 L C 2.764 179.804 176.870 0.283 0.000 1.072 505 L CA 1.539 56.648 54.840 0.447 0.000 0.755 505 L CB -1.005 41.215 42.059 0.268 0.000 0.889 505 L HN 0.261 nan 8.230 nan 0.000 0.432 506 A N -0.201 122.721 122.820 0.169 0.000 1.908 506 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 506 A C 2.305 179.923 177.584 0.056 0.000 1.181 506 A CA 1.858 53.955 52.037 0.101 0.000 0.627 506 A CB -1.345 17.697 19.000 0.071 0.000 0.818 506 A HN 0.517 nan 8.150 nan 0.000 0.445 507 G N -2.018 106.781 108.800 -0.002 0.000 2.448 507 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 507 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 507 G C 1.385 176.219 174.900 -0.110 0.000 1.127 507 G CA 1.063 46.098 45.100 -0.109 0.000 0.766 507 G HN 0.457 nan 8.290 nan 0.000 0.552 508 F N 0.945 120.779 119.950 -0.193 0.000 2.234 508 F HA 0.215 4.741 4.527 -0.000 0.000 0.296 508 F C 1.349 177.149 175.800 -0.000 0.000 1.089 508 F CA 0.646 58.589 58.000 -0.096 0.000 1.343 508 F CB 0.365 39.443 39.000 0.130 0.000 1.040 508 F HN 0.101 nan 8.300 nan 0.000 0.498 509 E N 0.911 121.203 120.200 0.154 0.000 2.373 509 E HA 0.543 4.893 4.350 -0.000 0.000 0.233 509 E C -0.602 176.007 176.600 0.015 0.000 1.035 509 E CA -0.357 56.083 56.400 0.067 0.000 0.930 509 E CB 0.509 30.294 29.700 0.141 0.000 1.278 509 E HN 0.272 nan 8.360 nan 0.000 0.452 510 A N 0.000 122.796 122.820 -0.040 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 52.015 52.037 -0.036 0.000 0.836 510 A CB 0.000 18.980 19.000 -0.033 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486