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 1isy_1_A DATA FIRST_RESID 1 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVNEAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGSSTPPPS GGGQIKGVGS GRcLDVPNAS TTDGTQVQLY DcHSATNQQW DATA SEQUENCE TYTDAGELRV YGDKcLDAAG TGNGTKVQIY ScWGGDNQKW RLNSDGSIVG DATA SEQUENCE VQSGLcLDAV GGGTANGTLI QLYScSNGSN QRWTRT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.580 177.584 -0.007 0.000 1.274 1 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 1 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 2 E N -1.358 118.836 120.200 -0.011 0.000 2.820 2 E HA 0.163 4.514 4.350 0.001 0.000 0.136 2 E C 0.219 176.808 176.600 -0.019 0.000 0.859 2 E CA 0.747 57.136 56.400 -0.018 0.000 1.416 2 E CB -0.695 28.994 29.700 -0.018 0.000 0.963 2 E HN 0.930 nan 8.360 nan 0.000 0.427 3 S N -0.583 115.113 115.700 -0.008 0.000 2.517 3 S HA 0.126 4.597 4.470 0.001 0.000 0.214 3 S C 0.969 175.587 174.600 0.032 0.000 0.991 3 S CA 0.478 58.683 58.200 0.010 0.000 0.906 3 S CB -0.233 62.972 63.200 0.008 0.000 0.789 3 S HN 0.408 nan 8.310 nan 0.000 0.513 4 T N -1.233 113.322 114.554 0.001 0.000 2.924 4 T HA 0.641 4.991 4.350 0.001 0.000 0.291 4 T C 0.936 175.582 174.700 -0.090 0.000 1.045 4 T CA -0.958 61.141 62.100 -0.002 0.000 1.015 4 T CB 1.212 70.064 68.868 -0.027 0.000 1.103 4 T HN 0.026 nan 8.240 nan 0.000 0.496 5 L N 1.334 122.441 121.223 -0.194 0.000 2.012 5 L HA 0.063 4.404 4.340 0.001 0.000 0.210 5 L C 2.993 179.804 176.870 -0.098 0.000 1.073 5 L CA 1.873 56.498 54.840 -0.359 0.000 0.748 5 L CB -1.153 40.459 42.059 -0.744 0.000 0.891 5 L HN 0.984 nan 8.230 nan 0.000 0.431 6 G N -0.259 108.540 108.800 -0.001 0.000 2.459 6 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 6 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 6 G C 1.783 176.735 174.900 0.087 0.000 1.183 6 G CA 0.942 46.123 45.100 0.135 0.000 0.776 6 G HN 0.471 nan 8.290 nan 0.000 0.552 7 A N 1.155 123.992 122.820 0.028 0.000 1.908 7 A HA 0.210 4.531 4.320 0.001 0.000 0.218 7 A C 2.842 180.436 177.584 0.016 0.000 1.181 7 A CA 2.471 54.520 52.037 0.019 0.000 0.627 7 A CB -0.882 18.117 19.000 -0.001 0.000 0.818 7 A HN 0.884 nan 8.150 nan 0.000 0.445 8 A N -0.131 122.685 122.820 -0.007 0.000 1.883 8 A HA 0.114 4.435 4.320 0.001 0.000 0.217 8 A C 2.528 180.124 177.584 0.020 0.000 1.186 8 A CA 2.295 54.323 52.037 -0.016 0.000 0.624 8 A CB -1.086 17.872 19.000 -0.070 0.000 0.822 8 A HN 1.116 nan 8.150 nan 0.000 0.444 9 A N -0.188 122.671 122.820 0.064 0.000 1.902 9 A HA 0.154 4.475 4.320 0.001 0.000 0.217 9 A C 2.497 180.128 177.584 0.078 0.000 1.181 9 A CA 2.081 54.183 52.037 0.108 0.000 0.623 9 A CB -1.045 18.088 19.000 0.223 0.000 0.818 9 A HN 1.149 nan 8.150 nan 0.000 0.443 10 A N -0.639 122.230 122.820 0.081 0.000 1.978 10 A HA -0.257 4.064 4.320 0.001 0.000 0.220 10 A C 2.038 179.646 177.584 0.041 0.000 1.170 10 A CA 1.746 53.823 52.037 0.067 0.000 0.636 10 A CB -0.615 18.422 19.000 0.061 0.000 0.810 10 A HN 0.675 nan 8.150 nan 0.000 0.448 11 Q N -0.014 119.803 119.800 0.029 0.000 2.248 11 Q HA -0.149 4.191 4.340 0.001 0.000 0.208 11 Q C 1.821 177.830 176.000 0.015 0.000 0.984 11 Q CA 1.727 57.540 55.803 0.017 0.000 0.875 11 Q CB -0.211 28.532 28.738 0.008 0.000 0.910 11 Q HN 0.831 nan 8.270 nan 0.000 0.433 12 S N -1.960 113.750 115.700 0.017 0.000 2.575 12 S HA 0.371 4.842 4.470 0.001 0.000 0.237 12 S C 1.063 175.670 174.600 0.013 0.000 0.975 12 S CA 0.049 58.255 58.200 0.010 0.000 0.960 12 S CB 0.922 64.124 63.200 0.003 0.000 0.822 12 S HN 0.460 nan 8.310 nan 0.000 0.472 13 G N 1.390 110.206 108.800 0.026 0.000 2.143 13 G HA2 -0.260 3.701 3.960 0.001 0.000 0.248 13 G HA3 -0.260 3.701 3.960 0.001 0.000 0.248 13 G C 0.132 175.057 174.900 0.042 0.000 0.991 13 G CA 0.170 45.291 45.100 0.036 0.000 0.689 13 G HN 0.607 nan 8.290 nan 0.000 0.522 14 R N -1.200 119.318 120.500 0.030 0.000 2.843 14 R HA 0.760 5.100 4.340 0.001 0.000 0.232 14 R C 0.002 176.351 176.300 0.082 0.000 1.305 14 R CA -0.530 55.559 56.100 -0.018 0.000 1.096 14 R CB 0.794 31.035 30.300 -0.098 0.000 1.455 14 R HN 0.513 nan 8.270 nan 0.000 0.520 15 Y N -1.771 118.576 120.300 0.078 0.000 2.605 15 Y HA 0.668 5.219 4.550 0.001 0.000 0.343 15 Y C -1.378 174.614 175.900 0.153 0.000 1.036 15 Y CA -1.749 56.417 58.100 0.111 0.000 1.065 15 Y CB 1.180 39.683 38.460 0.072 0.000 1.288 15 Y HN 0.411 nan 8.280 nan 0.000 0.481 16 F N 1.681 121.875 119.950 0.407 0.000 2.577 16 F HA 0.778 5.306 4.527 0.001 0.000 0.344 16 F C 0.013 176.135 175.800 0.537 0.000 1.145 16 F CA -0.763 57.473 58.000 0.393 0.000 0.996 16 F CB 1.386 40.545 39.000 0.265 0.000 1.248 16 F HN 0.954 nan 8.300 nan 0.000 0.447 17 G N 1.929 110.966 108.800 0.395 0.000 2.820 17 G HA2 0.630 4.590 3.960 0.001 0.000 0.291 17 G HA3 0.630 4.590 3.960 0.001 0.000 0.291 17 G C -1.230 173.570 174.900 -0.166 0.000 1.323 17 G CA -0.646 44.587 45.100 0.221 0.000 1.055 17 G HN 0.600 nan 8.290 nan 0.000 0.520 18 T N -2.110 112.160 114.554 -0.472 0.000 2.787 18 T HA 0.632 4.983 4.350 0.001 0.000 0.297 18 T C -0.993 173.457 174.700 -0.418 0.000 1.221 18 T CA 0.158 61.860 62.100 -0.663 0.000 1.006 18 T CB 1.359 69.367 68.868 -1.434 0.000 1.328 18 T HN 1.245 nan 8.240 nan 0.000 0.509 19 A N 2.697 125.223 122.820 -0.490 0.000 2.274 19 A HA 0.705 5.026 4.320 0.001 0.000 0.309 19 A C -0.405 176.914 177.584 -0.442 0.000 1.226 19 A CA -0.599 51.044 52.037 -0.657 0.000 0.853 19 A CB 0.067 18.157 19.000 -1.516 0.000 1.146 19 A HN 0.661 nan 8.150 nan 0.000 0.518 20 I N 2.007 122.397 120.570 -0.301 0.000 2.377 20 I HA 0.463 4.633 4.170 0.001 0.000 0.293 20 I C 0.567 176.588 176.117 -0.161 0.000 0.987 20 I CA -0.240 60.961 61.300 -0.166 0.000 1.185 20 I CB 1.300 39.205 38.000 -0.158 0.000 1.341 20 I HN 0.702 nan 8.210 nan 0.000 0.455 21 A N 4.294 127.035 122.820 -0.132 0.000 2.249 21 A HA 0.431 4.751 4.320 0.001 0.000 0.314 21 A C 1.090 178.544 177.584 -0.216 0.000 1.290 21 A CA -0.272 51.654 52.037 -0.184 0.000 0.893 21 A CB 0.615 19.479 19.000 -0.228 0.000 1.165 21 A HN 0.839 nan 8.150 nan 0.000 0.530 22 S N 2.577 118.192 115.700 -0.143 0.000 2.402 22 S HA -0.144 4.326 4.470 0.001 0.000 0.233 22 S C 1.756 176.259 174.600 -0.162 0.000 1.030 22 S CA 1.672 59.793 58.200 -0.131 0.000 1.003 22 S CB -0.581 62.592 63.200 -0.044 0.000 0.813 22 S HN 1.169 nan 8.310 nan 0.000 0.477 23 G N 1.327 110.026 108.800 -0.168 0.000 2.471 23 G HA2 -0.045 3.915 3.960 0.001 0.000 0.219 23 G HA3 -0.045 3.915 3.960 0.001 0.000 0.219 23 G C 1.439 176.190 174.900 -0.249 0.000 1.125 23 G CA 0.422 45.422 45.100 -0.167 0.000 0.775 23 G HN 0.614 nan 8.290 nan 0.000 0.548 24 K N -0.285 119.864 120.400 -0.418 0.000 2.367 24 K HA 0.336 4.656 4.320 0.001 0.000 0.194 24 K C 1.816 178.128 176.600 -0.480 0.000 1.027 24 K CA -0.296 55.609 56.287 -0.637 0.000 1.075 24 K CB 0.175 31.837 32.500 -1.398 0.000 0.845 24 K HN 0.216 nan 8.250 nan 0.000 0.529 25 L N 0.215 121.239 121.223 -0.331 0.000 2.549 25 L HA -0.055 4.286 4.340 0.001 0.000 0.229 25 L C 1.798 178.596 176.870 -0.120 0.000 1.158 25 L CA 0.722 55.411 54.840 -0.253 0.000 0.842 25 L CB -0.168 41.678 42.059 -0.355 0.000 0.952 25 L HN 0.284 nan 8.230 nan 0.000 0.452 26 G N -1.891 106.844 108.800 -0.108 0.000 3.088 26 G HA2 -0.088 3.872 3.960 0.001 0.000 0.217 26 G HA3 -0.088 3.872 3.960 0.001 0.000 0.217 26 G C 0.154 175.035 174.900 -0.031 0.000 1.159 26 G CA -0.193 44.878 45.100 -0.049 0.000 0.760 26 G HN 0.127 nan 8.290 nan 0.000 0.550 27 D N 1.051 121.426 120.400 -0.042 0.000 2.359 27 D HA 0.193 4.833 4.640 0.001 0.000 0.230 27 D C 1.784 178.120 176.300 0.060 0.000 1.118 27 D CA -0.061 53.936 54.000 -0.006 0.000 0.844 27 D CB 1.493 42.266 40.800 -0.046 0.000 1.059 27 D HN 0.107 nan 8.370 nan 0.000 0.493 28 S N 2.991 118.718 115.700 0.046 0.000 2.399 28 S HA -0.175 4.295 4.470 0.001 0.000 0.231 28 S C 1.989 176.620 174.600 0.052 0.000 1.022 28 S CA 0.848 59.081 58.200 0.055 0.000 0.983 28 S CB -0.137 63.085 63.200 0.037 0.000 0.803 28 S HN 0.462 nan 8.310 nan 0.000 0.480 29 A N 0.749 123.598 122.820 0.048 0.000 1.933 29 A HA -0.004 4.317 4.320 0.001 0.000 0.218 29 A C 2.030 179.640 177.584 0.043 0.000 1.175 29 A CA 1.435 53.491 52.037 0.032 0.000 0.628 29 A CB -1.100 17.919 19.000 0.032 0.000 0.814 29 A HN 0.637 nan 8.150 nan 0.000 0.444 30 Y N 1.656 121.917 120.300 -0.065 0.000 2.109 30 Y HA -0.209 4.341 4.550 0.001 0.000 0.285 30 Y C 2.971 178.828 175.900 -0.071 0.000 1.131 30 Y CA 2.685 60.732 58.100 -0.088 0.000 1.121 30 Y CB -0.682 37.712 38.460 -0.110 0.000 0.987 30 Y HN 0.433 nan 8.280 nan 0.000 0.495 31 T N -3.312 111.303 114.554 0.102 0.000 2.788 31 T HA -0.179 4.171 4.350 0.001 0.000 0.268 31 T C 1.829 176.582 174.700 0.087 0.000 1.044 31 T CA 1.816 63.974 62.100 0.098 0.000 1.139 31 T CB -1.156 67.838 68.868 0.211 0.000 0.867 31 T HN 0.349 nan 8.240 nan 0.000 0.454 32 T N 2.228 116.799 114.554 0.028 0.000 2.684 32 T HA 0.015 4.365 4.350 0.001 0.000 0.267 32 T C 1.898 176.551 174.700 -0.078 0.000 1.036 32 T CA 1.621 63.716 62.100 -0.008 0.000 1.148 32 T CB -0.476 68.377 68.868 -0.025 0.000 0.863 32 T HN 0.441 nan 8.240 nan 0.000 0.436 33 I N 1.094 121.558 120.570 -0.177 0.000 2.163 33 I HA -0.124 4.046 4.170 0.001 0.000 0.240 33 I C 2.958 178.935 176.117 -0.232 0.000 1.081 33 I CA 1.053 62.151 61.300 -0.338 0.000 1.353 33 I CB -0.572 37.058 38.000 -0.617 0.000 1.054 33 I HN 0.177 nan 8.210 nan 0.000 0.407 34 A N 1.146 123.878 122.820 -0.146 0.000 1.883 34 A HA -0.263 4.058 4.320 0.001 0.000 0.217 34 A C 2.520 180.301 177.584 0.330 0.000 1.186 34 A CA 2.623 54.745 52.037 0.143 0.000 0.624 34 A CB -1.040 17.903 19.000 -0.095 0.000 0.822 34 A HN 0.541 nan 8.150 nan 0.000 0.444 35 S N -0.503 115.370 115.700 0.289 0.000 2.402 35 S HA -0.183 4.287 4.470 0.001 0.000 0.229 35 S C 2.025 176.622 174.600 -0.005 0.000 1.021 35 S CA 1.281 59.544 58.200 0.104 0.000 0.974 35 S CB -0.390 62.843 63.200 0.056 0.000 0.800 35 S HN 0.655 nan 8.310 nan 0.000 0.484 36 R N 1.069 121.551 120.500 -0.030 0.000 2.066 36 R HA 0.053 4.393 4.340 0.001 0.000 0.224 36 R C 1.846 178.073 176.300 -0.121 0.000 1.122 36 R CA 1.245 57.301 56.100 -0.074 0.000 0.974 36 R CB -0.077 30.173 30.300 -0.083 0.000 0.871 36 R HN 0.368 nan 8.270 nan 0.000 0.435 37 E N -0.317 119.731 120.200 -0.253 0.000 2.318 37 E HA 0.011 4.361 4.350 0.001 0.000 0.193 37 E C -0.224 176.025 176.600 -0.585 0.000 0.998 37 E CA 0.504 56.614 56.400 -0.484 0.000 0.859 37 E CB 0.254 29.494 29.700 -0.767 0.000 0.812 37 E HN 0.145 nan 8.360 nan 0.000 0.492 38 F N 1.469 121.492 119.950 0.121 0.000 2.522 38 F HA 0.247 4.774 4.527 0.001 0.000 0.324 38 F C 0.996 176.855 175.800 0.099 0.000 1.077 38 F CA -1.169 56.931 58.000 0.167 0.000 0.944 38 F CB 0.904 40.012 39.000 0.181 0.000 1.175 38 F HN -0.183 nan 8.300 nan 0.000 0.468 39 N N 0.730 119.618 118.700 0.313 0.000 2.238 39 N HA 0.325 5.066 4.740 0.001 0.000 0.235 39 N C -0.744 174.814 175.510 0.081 0.000 1.209 39 N CA -0.087 53.053 53.050 0.151 0.000 0.879 39 N CB 0.753 39.317 38.487 0.129 0.000 1.136 39 N HN 0.572 nan 8.380 nan 0.000 0.517 40 M N 0.446 120.102 119.600 0.093 0.000 2.378 40 M HA 0.577 5.058 4.480 0.001 0.000 0.289 40 M C -2.205 174.064 176.300 -0.052 0.000 1.136 40 M CA -0.842 54.394 55.300 -0.107 0.000 0.917 40 M CB 2.390 34.764 32.600 -0.376 0.000 1.669 40 M HN -0.158 nan 8.290 nan 0.000 0.461 41 V N 2.880 122.736 119.914 -0.097 0.000 2.709 41 V HA 0.792 4.912 4.120 0.001 0.000 0.308 41 V C -0.773 175.259 176.094 -0.103 0.000 1.062 41 V CA -0.537 61.727 62.300 -0.061 0.000 0.901 41 V CB 2.543 34.394 31.823 0.045 0.000 1.003 41 V HN 0.892 nan 8.190 nan 0.000 0.425 42 T N 3.402 117.889 114.554 -0.111 0.000 2.812 42 T HA 0.639 4.990 4.350 0.001 0.000 0.282 42 T C -0.013 174.623 174.700 -0.107 0.000 0.990 42 T CA -0.275 61.771 62.100 -0.091 0.000 0.960 42 T CB 1.629 70.489 68.868 -0.015 0.000 0.948 42 T HN 0.955 nan 8.240 nan 0.000 0.438 43 A N 2.191 124.989 122.820 -0.036 0.000 2.451 43 A HA 0.270 4.590 4.320 0.001 0.000 0.266 43 A C 1.375 178.963 177.584 0.005 0.000 1.119 43 A CA -0.313 51.718 52.037 -0.011 0.000 0.786 43 A CB -0.020 19.016 19.000 0.061 0.000 1.061 43 A HN 1.060 nan 8.150 nan 0.000 0.503 44 E N 2.168 122.293 120.200 -0.124 0.000 2.110 44 E HA -0.181 4.170 4.350 0.001 0.000 0.193 44 E C 0.709 177.401 176.600 0.153 0.000 0.988 44 E CA 1.802 58.119 56.400 -0.139 0.000 0.804 44 E CB 0.084 29.599 29.700 -0.308 0.000 0.745 44 E HN 0.803 nan 8.360 nan 0.000 0.458 45 N N -1.238 117.541 118.700 0.132 0.000 2.028 45 N HA -0.014 4.726 4.740 0.001 0.000 0.230 45 N C 0.614 176.229 175.510 0.176 0.000 1.354 45 N CA 0.180 53.340 53.050 0.183 0.000 0.855 45 N CB 0.404 38.966 38.487 0.124 0.000 1.111 45 N HN -0.008 nan 8.380 nan 0.000 0.480 46 E N 0.688 120.979 120.200 0.151 0.000 2.409 46 E HA 0.100 4.451 4.350 0.001 0.000 0.198 46 E C 1.136 177.886 176.600 0.249 0.000 1.024 46 E CA 0.867 57.370 56.400 0.173 0.000 0.861 46 E CB 0.008 29.797 29.700 0.149 0.000 0.788 46 E HN 0.341 nan 8.360 nan 0.000 0.521 47 M N -0.188 119.576 119.600 0.273 0.000 2.412 47 M HA 0.162 4.643 4.480 0.001 0.000 0.315 47 M C -0.030 176.500 176.300 0.383 0.000 1.092 47 M CA -0.098 55.423 55.300 0.368 0.000 0.974 47 M CB 0.641 33.434 32.600 0.321 0.000 1.437 47 M HN -0.151 nan 8.290 nan 0.000 0.524 48 K N 0.564 121.146 120.400 0.303 0.000 2.132 48 K HA 0.254 4.574 4.320 0.001 0.000 0.240 48 K C 1.098 177.870 176.600 0.286 0.000 1.036 48 K CA -0.231 56.223 56.287 0.277 0.000 0.888 48 K CB 1.207 33.857 32.500 0.250 0.000 1.071 48 K HN 0.068 nan 8.250 nan 0.000 0.502 49 I N 1.218 121.907 120.570 0.199 0.000 2.127 49 I HA -0.322 3.849 4.170 0.001 0.000 0.241 49 I C 2.052 178.169 176.117 0.001 0.000 1.075 49 I CA 1.517 62.824 61.300 0.011 0.000 1.334 49 I CB -0.488 37.326 38.000 -0.310 0.000 1.040 49 I HN 0.738 nan 8.210 nan 0.000 0.405 50 D N 1.722 122.094 120.400 -0.046 0.000 2.218 50 D HA -0.159 4.481 4.640 0.001 0.000 0.204 50 D C 1.938 178.258 176.300 0.034 0.000 0.976 50 D CA 1.493 55.465 54.000 -0.047 0.000 0.853 50 D CB -0.259 40.486 40.800 -0.092 0.000 0.939 50 D HN 0.367 nan 8.370 nan 0.000 0.481 51 A N 0.346 123.215 122.820 0.082 0.000 2.072 51 A HA 0.023 4.343 4.320 0.001 0.000 0.216 51 A C 2.240 179.883 177.584 0.099 0.000 1.156 51 A CA 1.664 53.758 52.037 0.095 0.000 0.701 51 A CB -0.512 18.564 19.000 0.128 0.000 0.816 51 A HN 0.443 nan 8.150 nan 0.000 0.458 52 T N -3.437 111.213 114.554 0.160 0.000 3.023 52 T HA 0.188 4.539 4.350 0.001 0.000 0.249 52 T C 0.617 175.327 174.700 0.017 0.000 1.050 52 T CA 0.701 62.864 62.100 0.104 0.000 1.088 52 T CB 0.061 69.133 68.868 0.340 0.000 0.946 52 T HN 0.406 nan 8.240 nan 0.000 0.480 53 E N 1.766 122.029 120.200 0.104 0.000 3.374 53 E HA 0.312 4.663 4.350 0.001 0.000 0.223 53 E C -2.336 174.341 176.600 0.128 0.000 1.210 53 E CA -2.180 54.181 56.400 -0.066 0.000 0.987 53 E CB 1.359 31.071 29.700 0.020 0.000 1.322 53 E HN 0.079 nan 8.360 nan 0.000 0.404 54 P HA -0.155 nan 4.420 nan 0.000 0.217 54 P C -0.161 177.270 177.300 0.217 0.000 1.148 54 P CA 1.084 64.248 63.100 0.107 0.000 0.828 54 P CB 0.227 31.929 31.700 0.003 0.000 0.783 55 Q N -1.745 118.027 119.800 -0.048 0.000 2.389 55 Q HA 0.349 4.689 4.340 0.001 0.000 0.277 55 Q C -0.677 174.759 176.000 -0.940 0.000 1.082 55 Q CA -1.000 54.515 55.803 -0.480 0.000 0.810 55 Q CB 1.391 29.932 28.738 -0.329 0.000 1.374 55 Q HN -0.229 nan 8.270 nan 0.000 0.422 56 R N 1.280 120.665 120.500 -1.859 0.000 2.480 56 R HA 0.293 4.634 4.340 0.001 0.000 0.303 56 R C 0.516 176.359 176.300 -0.761 0.000 0.985 56 R CA 1.790 56.912 56.100 -1.630 0.000 1.051 56 R CB -0.449 28.852 30.300 -1.665 0.000 0.935 56 R HN 0.943 nan 8.270 nan 0.000 0.410 57 G N 3.029 111.476 108.800 -0.589 0.000 2.225 57 G HA2 -0.265 3.696 3.960 0.001 0.000 0.254 57 G HA3 -0.265 3.696 3.960 0.001 0.000 0.254 57 G C -0.281 174.440 174.900 -0.299 0.000 0.988 57 G CA 0.140 45.055 45.100 -0.307 0.000 0.625 57 G HN 0.549 nan 8.290 nan 0.000 0.527 58 Q N 0.314 119.826 119.800 -0.480 0.000 2.425 58 Q HA 0.696 5.036 4.340 0.001 0.000 0.254 58 Q C -0.416 175.315 176.000 -0.449 0.000 1.032 58 Q CA -0.281 55.331 55.803 -0.318 0.000 0.798 58 Q CB 0.390 28.981 28.738 -0.245 0.000 1.210 58 Q HN 0.307 nan 8.270 nan 0.000 0.491 59 F N 1.287 121.126 119.950 -0.184 0.000 2.379 59 F HA 0.456 4.983 4.527 0.001 0.000 0.332 59 F C 0.808 176.294 175.800 -0.523 0.000 1.096 59 F CA -0.579 57.181 58.000 -0.401 0.000 1.105 59 F CB 1.102 39.809 39.000 -0.488 0.000 1.189 59 F HN 0.298 nan 8.300 nan 0.000 0.515 60 N N 2.593 120.980 118.700 -0.522 0.000 2.504 60 N HA 0.242 4.983 4.740 0.001 0.000 0.280 60 N C -0.910 174.315 175.510 -0.474 0.000 1.052 60 N CA -0.297 52.531 53.050 -0.369 0.000 0.887 60 N CB 0.635 39.028 38.487 -0.156 0.000 1.323 60 N HN 0.389 nan 8.380 nan 0.000 0.509 61 F N 0.826 120.757 119.950 -0.031 0.000 2.661 61 F HA 0.277 4.805 4.527 0.001 0.000 0.306 61 F C 2.029 177.886 175.800 0.094 0.000 1.094 61 F CA -0.243 57.737 58.000 -0.033 0.000 1.254 61 F CB 0.279 38.986 39.000 -0.489 0.000 1.040 61 F HN 0.332 nan 8.300 nan 0.000 0.562 62 S N 0.984 116.802 115.700 0.196 0.000 2.359 62 S HA -0.281 4.189 4.470 0.001 0.000 0.222 62 S C 2.487 177.205 174.600 0.197 0.000 1.038 62 S CA 1.717 60.025 58.200 0.180 0.000 1.051 62 S CB -0.650 62.615 63.200 0.109 0.000 0.944 62 S HN 0.412 nan 8.310 nan 0.000 0.433 63 A N 1.453 124.375 122.820 0.170 0.000 1.902 63 A HA 0.098 4.419 4.320 0.001 0.000 0.217 63 A C 2.370 180.086 177.584 0.219 0.000 1.181 63 A CA 1.766 53.897 52.037 0.157 0.000 0.623 63 A CB -1.497 17.574 19.000 0.118 0.000 0.818 63 A HN 0.530 nan 8.150 nan 0.000 0.443 64 G N -0.151 108.833 108.800 0.307 0.000 2.446 64 G HA2 -0.258 3.702 3.960 0.001 0.000 0.217 64 G HA3 -0.258 3.702 3.960 0.001 0.000 0.217 64 G C 1.118 176.288 174.900 0.451 0.000 1.168 64 G CA 1.256 46.593 45.100 0.396 0.000 0.771 64 G HN 0.449 nan 8.290 nan 0.000 0.551 65 D N -0.205 120.500 120.400 0.510 0.000 2.178 65 D HA -0.045 4.596 4.640 0.001 0.000 0.201 65 D C 2.392 178.926 176.300 0.390 0.000 0.980 65 D CA 0.322 54.630 54.000 0.513 0.000 0.842 65 D CB -0.191 40.872 40.800 0.437 0.000 0.948 65 D HN 0.216 nan 8.370 nan 0.000 0.472 66 R N 0.594 121.266 120.500 0.287 0.000 2.073 66 R HA -0.103 4.237 4.340 0.001 0.000 0.234 66 R C 2.094 178.531 176.300 0.228 0.000 1.134 66 R CA 0.969 57.200 56.100 0.218 0.000 0.952 66 R CB -0.311 30.079 30.300 0.150 0.000 0.850 66 R HN 0.075 nan 8.270 nan 0.000 0.433 67 V N 0.254 120.293 119.914 0.208 0.000 2.358 67 V HA -0.251 3.869 4.120 0.001 0.000 0.246 67 V C 2.043 178.275 176.094 0.230 0.000 1.047 67 V CA 1.792 64.204 62.300 0.186 0.000 1.035 67 V CB -0.806 31.085 31.823 0.113 0.000 0.658 67 V HN 0.382 nan 8.190 nan 0.000 0.452 68 Y N 2.074 122.456 120.300 0.136 0.000 2.128 68 Y HA -0.251 4.299 4.550 0.001 0.000 0.284 68 Y C 2.522 178.492 175.900 0.116 0.000 1.154 68 Y CA 2.108 60.258 58.100 0.083 0.000 1.149 68 Y CB -0.425 38.085 38.460 0.083 0.000 0.976 68 Y HN 0.272 nan 8.280 nan 0.000 0.505 69 N N -0.479 118.254 118.700 0.054 0.000 2.120 69 N HA -0.229 4.511 4.740 0.001 0.000 0.188 69 N C 1.609 177.098 175.510 -0.036 0.000 1.024 69 N CA 1.571 54.601 53.050 -0.033 0.000 0.852 69 N CB -1.124 37.454 38.487 0.152 0.000 1.003 69 N HN 0.658 nan 8.380 nan 0.000 0.424 70 W N 2.148 123.404 121.300 -0.073 0.000 2.363 70 W HA -0.067 4.593 4.660 0.001 0.000 0.296 70 W C 2.324 178.781 176.519 -0.105 0.000 1.212 70 W CA 2.077 59.388 57.345 -0.057 0.000 1.260 70 W CB -0.287 29.166 29.460 -0.012 0.000 1.131 70 W HN 0.072 nan 8.180 nan 0.000 0.530 71 A N -0.029 122.796 122.820 0.009 0.000 1.835 71 A HA -0.207 4.113 4.320 0.001 0.000 0.215 71 A C 2.031 179.397 177.584 -0.364 0.000 1.199 71 A CA 2.680 54.606 52.037 -0.185 0.000 0.615 71 A CB -1.360 17.593 19.000 -0.078 0.000 0.838 71 A HN 0.163 nan 8.150 nan 0.000 0.444 72 V N 0.299 119.962 119.914 -0.420 0.000 2.287 72 V HA -0.297 3.823 4.120 0.001 0.000 0.248 72 V C 2.684 178.606 176.094 -0.287 0.000 1.053 72 V CA 2.124 64.206 62.300 -0.363 0.000 1.027 72 V CB -0.901 30.652 31.823 -0.448 0.000 0.646 72 V HN 0.555 nan 8.190 nan 0.000 0.447 73 Q N -0.034 119.588 119.800 -0.296 0.000 2.226 73 Q HA -0.114 4.227 4.340 0.001 0.000 0.204 73 Q C 1.601 177.409 176.000 -0.320 0.000 0.975 73 Q CA 1.017 56.668 55.803 -0.253 0.000 0.866 73 Q CB -0.389 28.222 28.738 -0.212 0.000 0.915 73 Q HN 0.673 nan 8.270 nan 0.000 0.440 74 N N -0.679 117.732 118.700 -0.481 0.000 2.235 74 N HA 0.098 4.839 4.740 0.001 0.000 0.209 74 N C 0.216 175.524 175.510 -0.337 0.000 1.122 74 N CA 0.652 53.400 53.050 -0.503 0.000 0.845 74 N CB 1.222 39.150 38.487 -0.933 0.000 1.004 74 N HN 0.277 nan 8.380 nan 0.000 0.499 75 G N 1.422 110.068 108.800 -0.256 0.000 2.204 75 G HA2 -0.261 3.700 3.960 0.001 0.000 0.244 75 G HA3 -0.261 3.700 3.960 0.001 0.000 0.244 75 G C -0.350 174.470 174.900 -0.135 0.000 1.062 75 G CA 0.039 45.040 45.100 -0.164 0.000 0.798 75 G HN 0.253 nan 8.290 nan 0.000 0.496 76 K N -0.151 120.149 120.400 -0.168 0.000 2.371 76 K HA 0.601 4.922 4.320 0.001 0.000 0.251 76 K C 0.466 176.985 176.600 -0.134 0.000 0.934 76 K CA -0.709 55.509 56.287 -0.114 0.000 0.798 76 K CB 1.876 34.326 32.500 -0.083 0.000 1.204 76 K HN 0.319 nan 8.250 nan 0.000 0.427 77 Q N 0.462 120.188 119.800 -0.123 0.000 2.308 77 Q HA 0.533 4.874 4.340 0.001 0.000 0.207 77 Q C -0.627 175.278 176.000 -0.159 0.000 1.035 77 Q CA -0.853 54.869 55.803 -0.135 0.000 1.008 77 Q CB 1.179 29.828 28.738 -0.149 0.000 1.168 77 Q HN 0.242 nan 8.270 nan 0.000 0.565 78 V N 0.669 120.491 119.914 -0.154 0.000 2.789 78 V HA 0.417 4.537 4.120 0.001 0.000 0.311 78 V C -0.838 175.097 176.094 -0.265 0.000 1.073 78 V CA -0.826 61.369 62.300 -0.175 0.000 0.921 78 V CB 2.025 33.795 31.823 -0.088 0.000 1.009 78 V HN 0.635 nan 8.190 nan 0.000 0.426 79 R N 2.203 122.537 120.500 -0.275 0.000 2.338 79 R HA 0.581 4.922 4.340 0.001 0.000 0.317 79 R C 0.278 176.332 176.300 -0.410 0.000 0.968 79 R CA -0.506 55.412 56.100 -0.302 0.000 0.849 79 R CB 1.857 32.049 30.300 -0.179 0.000 1.128 79 R HN 0.908 nan 8.270 nan 0.000 0.448 80 G N 1.768 110.099 108.800 -0.782 0.000 2.349 80 G HA2 0.131 4.091 3.960 0.001 0.000 0.281 80 G HA3 0.131 4.091 3.960 0.001 0.000 0.281 80 G C -0.891 173.881 174.900 -0.214 0.000 1.182 80 G CA -0.015 44.368 45.100 -1.195 0.000 0.899 80 G HN 0.631 nan 8.290 nan 0.000 0.455 81 H N 0.682 119.722 119.070 -0.050 0.000 2.906 81 H HA 0.619 5.175 4.556 0.001 0.000 0.324 81 H C -0.558 174.917 175.328 0.244 0.000 0.973 81 H CA -0.276 55.840 56.048 0.113 0.000 1.321 81 H CB 1.860 31.659 29.762 0.062 0.000 1.535 81 H HN 0.603 nan 8.280 nan 0.000 0.518 82 T N 4.111 118.691 114.554 0.043 0.000 2.853 82 T HA 0.259 4.609 4.350 0.001 0.000 0.311 82 T C 0.550 175.385 174.700 0.224 0.000 1.307 82 T CA -0.666 61.464 62.100 0.050 0.000 1.019 82 T CB 1.104 69.700 68.868 -0.454 0.000 1.264 82 T HN 0.538 nan 8.240 nan 0.000 0.497 83 L N 1.565 122.899 121.223 0.185 0.000 2.127 83 L HA 0.523 4.863 4.340 0.001 0.000 0.203 83 L C 1.228 178.242 176.870 0.240 0.000 1.080 83 L CA 0.422 55.359 54.840 0.161 0.000 0.768 83 L CB -0.170 41.840 42.059 -0.081 0.000 0.924 83 L HN 0.673 nan 8.230 nan 0.000 0.444 84 A N -1.145 121.798 122.820 0.205 0.000 2.353 84 A HA 0.545 4.865 4.320 0.001 0.000 0.299 84 A C -1.987 175.851 177.584 0.423 0.000 1.089 84 A CA -0.195 52.023 52.037 0.301 0.000 0.736 84 A CB 0.950 20.183 19.000 0.387 0.000 1.195 84 A HN 0.190 nan 8.150 nan 0.000 0.447 85 W N 3.901 125.263 121.300 0.104 0.000 3.363 85 W HA 0.384 5.045 4.660 0.001 0.000 0.306 85 W C 0.551 177.064 176.519 -0.011 0.000 1.253 85 W CA -0.889 56.514 57.345 0.096 0.000 1.195 85 W CB 0.921 30.368 29.460 -0.022 0.000 1.366 85 W HN 0.825 nan 8.180 nan 0.000 0.551 86 H N 1.026 120.153 119.070 0.094 0.000 2.470 86 H HA 0.141 4.697 4.556 0.001 0.000 0.289 86 H C 0.296 175.355 175.328 -0.448 0.000 1.033 86 H CA 0.998 56.937 56.048 -0.181 0.000 1.331 86 H CB -0.135 29.589 29.762 -0.063 0.000 1.414 86 H HN 0.103 nan 8.280 nan 0.000 0.545 87 S N 0.191 114.847 115.700 -1.741 0.000 2.654 87 S HA 0.161 4.632 4.470 0.001 0.000 0.283 87 S C 0.010 173.831 174.600 -1.298 0.000 1.180 87 S CA -0.389 56.856 58.200 -1.591 0.000 1.021 87 S CB 0.670 62.731 63.200 -1.899 0.000 1.018 87 S HN 0.552 nan 8.310 nan 0.000 0.532 88 Q N 0.452 119.772 119.800 -0.800 0.000 2.457 88 Q HA -0.218 4.122 4.340 0.001 0.000 0.283 88 Q C -0.524 175.243 176.000 -0.390 0.000 1.234 88 Q CA 0.717 56.219 55.803 -0.500 0.000 0.877 88 Q CB -1.516 26.960 28.738 -0.436 0.000 1.250 88 Q HN 0.684 nan 8.270 nan 0.000 0.481 89 Q N 1.215 120.763 119.800 -0.420 0.000 2.299 89 Q HA 0.332 4.673 4.340 0.001 0.000 0.246 89 Q C -1.930 173.819 176.000 -0.418 0.000 0.935 89 Q CA -1.796 53.755 55.803 -0.420 0.000 0.887 89 Q CB 0.574 29.043 28.738 -0.449 0.000 1.223 89 Q HN 0.100 nan 8.270 nan 0.000 0.439 90 P HA -0.093 nan 4.420 nan 0.000 0.270 90 P C 0.378 177.380 177.300 -0.496 0.000 1.223 90 P CA 0.158 62.985 63.100 -0.454 0.000 0.785 90 P CB 0.553 31.954 31.700 -0.498 0.000 0.923 91 G N 1.827 110.477 108.800 -0.249 0.000 2.513 91 G HA2 -0.265 3.696 3.960 0.001 0.000 0.219 91 G HA3 -0.265 3.696 3.960 0.001 0.000 0.219 91 G C 1.425 176.240 174.900 -0.141 0.000 1.160 91 G CA 0.658 45.664 45.100 -0.157 0.000 0.767 91 G HN 0.760 nan 8.290 nan 0.000 0.571 92 W N 0.082 121.329 121.300 -0.089 0.000 2.342 92 W HA -0.022 4.638 4.660 0.001 0.000 0.297 92 W C 2.151 178.616 176.519 -0.089 0.000 1.213 92 W CA 1.132 58.427 57.345 -0.084 0.000 1.251 92 W CB -0.928 28.479 29.460 -0.088 0.000 1.136 92 W HN 0.292 nan 8.180 nan 0.000 0.526 93 M N 1.548 120.600 119.600 -0.913 0.000 2.200 93 M HA -0.164 4.316 4.480 0.001 0.000 0.265 93 M C 2.394 178.459 176.300 -0.392 0.000 1.066 93 M CA 1.709 56.523 55.300 -0.809 0.000 1.127 93 M CB -0.300 31.543 32.600 -1.262 0.000 1.379 93 M HN 0.013 nan 8.290 nan 0.000 0.420 94 Q N -0.253 119.332 119.800 -0.360 0.000 2.291 94 Q HA -0.139 4.202 4.340 0.001 0.000 0.206 94 Q C 1.878 177.792 176.000 -0.144 0.000 0.976 94 Q CA 1.782 57.444 55.803 -0.234 0.000 0.875 94 Q CB -0.168 28.444 28.738 -0.211 0.000 0.927 94 Q HN 0.687 nan 8.270 nan 0.000 0.450 95 S N -0.646 114.994 115.700 -0.100 0.000 2.524 95 S HA 0.128 4.598 4.470 0.001 0.000 0.216 95 S C 0.886 175.470 174.600 -0.026 0.000 0.987 95 S CA -0.307 57.867 58.200 -0.045 0.000 0.909 95 S CB 0.011 63.208 63.200 -0.006 0.000 0.781 95 S HN 0.108 nan 8.310 nan 0.000 0.521 96 L N 1.731 122.937 121.223 -0.027 0.000 2.475 96 L HA 0.524 4.864 4.340 0.001 0.000 0.253 96 L C 0.247 177.094 176.870 -0.038 0.000 1.198 96 L CA -0.388 54.450 54.840 -0.004 0.000 0.814 96 L CB 0.838 42.918 42.059 0.034 0.000 1.134 96 L HN 0.200 nan 8.230 nan 0.000 0.478 97 S N -1.427 114.259 115.700 -0.023 0.000 2.636 97 S HA 0.629 5.100 4.470 0.001 0.000 0.268 97 S C -0.000 174.588 174.600 -0.020 0.000 1.159 97 S CA -0.136 58.042 58.200 -0.037 0.000 0.815 97 S CB 1.349 64.528 63.200 -0.035 0.000 1.130 97 S HN 1.166 nan 8.310 nan 0.000 0.471 98 G N 2.308 111.093 108.800 -0.025 0.000 2.602 98 G HA2 -0.352 3.608 3.960 0.001 0.000 0.306 98 G HA3 -0.352 3.608 3.960 0.001 0.000 0.306 98 G C 1.240 176.144 174.900 0.007 0.000 1.301 98 G CA 1.546 46.642 45.100 -0.007 0.000 0.974 98 G HN 1.782 nan 8.290 nan 0.000 0.547 99 S N -0.775 114.936 115.700 0.017 0.000 2.387 99 S HA -0.232 4.238 4.470 0.001 0.000 0.230 99 S C 2.526 177.146 174.600 0.034 0.000 1.035 99 S CA 3.572 61.789 58.200 0.028 0.000 1.014 99 S CB -1.416 61.800 63.200 0.026 0.000 0.836 99 S HN 2.177 nan 8.310 nan 0.000 0.466 100 T N 0.475 115.047 114.554 0.031 0.000 2.777 100 T HA 0.007 4.357 4.350 0.001 0.000 0.266 100 T C 1.745 176.481 174.700 0.060 0.000 1.040 100 T CA 1.146 63.272 62.100 0.044 0.000 1.141 100 T CB -0.737 68.154 68.868 0.039 0.000 0.868 100 T HN 0.301 nan 8.240 nan 0.000 0.444 101 L N 1.329 122.574 121.223 0.036 0.000 2.056 101 L HA 0.237 4.577 4.340 0.001 0.000 0.207 101 L C 2.707 179.601 176.870 0.039 0.000 1.078 101 L CA 1.648 56.502 54.840 0.023 0.000 0.749 101 L CB -0.963 41.072 42.059 -0.040 0.000 0.901 101 L HN 0.166 nan 8.230 nan 0.000 0.433 102 R N -0.280 120.244 120.500 0.040 0.000 2.091 102 R HA -0.230 4.111 4.340 0.001 0.000 0.238 102 R C 2.330 178.684 176.300 0.091 0.000 1.136 102 R CA 2.004 58.147 56.100 0.070 0.000 0.959 102 R CB -0.756 29.586 30.300 0.071 0.000 0.856 102 R HN 0.523 nan 8.270 nan 0.000 0.437 103 Q N -0.345 119.505 119.800 0.083 0.000 2.123 103 Q HA 0.108 4.449 4.340 0.001 0.000 0.199 103 Q C 1.851 177.925 176.000 0.124 0.000 0.966 103 Q CA 1.971 57.828 55.803 0.090 0.000 0.845 103 Q CB -0.405 28.375 28.738 0.071 0.000 0.907 103 Q HN 0.406 nan 8.270 nan 0.000 0.439 104 A N 0.386 123.294 122.820 0.147 0.000 1.902 104 A HA -0.170 4.150 4.320 0.001 0.000 0.217 104 A C 2.145 179.873 177.584 0.240 0.000 1.181 104 A CA 1.628 53.802 52.037 0.227 0.000 0.623 104 A CB -0.703 18.484 19.000 0.311 0.000 0.818 104 A HN 0.588 nan 8.150 nan 0.000 0.443 105 M N -0.411 119.291 119.600 0.169 0.000 2.080 105 M HA -0.141 4.339 4.480 0.001 0.000 0.260 105 M C 1.955 178.375 176.300 0.200 0.000 1.068 105 M CA 1.952 57.356 55.300 0.174 0.000 1.109 105 M CB -0.332 32.355 32.600 0.145 0.000 1.342 105 M HN 0.429 nan 8.290 nan 0.000 0.405 106 I N 0.454 121.119 120.570 0.158 0.000 2.179 106 I HA -0.322 3.849 4.170 0.001 0.000 0.242 106 I C 1.844 178.039 176.117 0.131 0.000 1.088 106 I CA 1.328 62.700 61.300 0.121 0.000 1.357 106 I CB -0.730 37.326 38.000 0.093 0.000 1.051 106 I HN 0.314 nan 8.210 nan 0.000 0.409 107 D N -0.350 120.153 120.400 0.173 0.000 2.144 107 D HA -0.237 4.403 4.640 0.001 0.000 0.199 107 D C 1.968 178.452 176.300 0.306 0.000 0.984 107 D CA 1.462 55.584 54.000 0.204 0.000 0.834 107 D CB -0.383 40.548 40.800 0.217 0.000 0.955 107 D HN 0.437 nan 8.370 nan 0.000 0.465 108 H N 0.752 119.989 119.070 0.279 0.000 2.321 108 H HA -0.010 4.546 4.556 0.001 0.000 0.300 108 H C 2.205 177.645 175.328 0.187 0.000 1.087 108 H CA 1.286 57.553 56.048 0.365 0.000 1.319 108 H CB -0.359 29.573 29.762 0.283 0.000 1.379 108 H HN 0.041 nan 8.280 nan 0.000 0.501 109 I N 0.340 120.953 120.570 0.072 0.000 2.151 109 I HA -0.343 3.828 4.170 0.001 0.000 0.243 109 I C 2.073 178.072 176.117 -0.196 0.000 1.080 109 I CA 1.441 62.667 61.300 -0.123 0.000 1.339 109 I CB -0.365 37.592 38.000 -0.072 0.000 1.039 109 I HN 0.404 nan 8.210 nan 0.000 0.409 110 N N 1.007 119.646 118.700 -0.103 0.000 2.166 110 N HA -0.118 4.622 4.740 0.001 0.000 0.186 110 N C 1.881 177.260 175.510 -0.218 0.000 1.019 110 N CA 1.655 54.629 53.050 -0.126 0.000 0.856 110 N CB -0.541 37.913 38.487 -0.055 0.000 0.993 110 N HN 0.456 nan 8.380 nan 0.000 0.426 111 G N 0.908 109.527 108.800 -0.300 0.000 2.404 111 G HA2 -0.132 3.828 3.960 0.001 0.000 0.215 111 G HA3 -0.132 3.828 3.960 0.001 0.000 0.215 111 G C 1.765 176.347 174.900 -0.531 0.000 1.174 111 G CA 0.666 45.336 45.100 -0.718 0.000 0.780 111 G HN 0.169 nan 8.290 nan 0.000 0.537 112 V N 1.112 120.819 119.914 -0.345 0.000 2.283 112 V HA -0.140 3.981 4.120 0.001 0.000 0.243 112 V C 2.895 178.900 176.094 -0.148 0.000 1.039 112 V CA 1.949 64.191 62.300 -0.097 0.000 1.016 112 V CB -0.485 31.280 31.823 -0.097 0.000 0.650 112 V HN 0.323 nan 8.190 nan 0.000 0.449 113 M N 0.424 119.835 119.600 -0.314 0.000 2.213 113 M HA -0.081 4.399 4.480 0.001 0.000 0.263 113 M C 2.255 178.481 176.300 -0.123 0.000 1.062 113 M CA 1.943 57.096 55.300 -0.245 0.000 1.105 113 M CB -0.840 31.524 32.600 -0.394 0.000 1.385 113 M HN 0.517 nan 8.290 nan 0.000 0.417 114 G N -0.920 107.767 108.800 -0.189 0.000 2.418 114 G HA2 -0.282 3.678 3.960 0.001 0.000 0.217 114 G HA3 -0.282 3.678 3.960 0.001 0.000 0.217 114 G C 1.176 175.936 174.900 -0.234 0.000 1.158 114 G CA 1.285 46.279 45.100 -0.177 0.000 0.771 114 G HN 0.470 nan 8.290 nan 0.000 0.545 115 H N -0.407 118.366 119.070 -0.494 0.000 2.353 115 H HA -0.052 4.505 4.556 0.001 0.000 0.300 115 H C 1.264 176.168 175.328 -0.707 0.000 1.090 115 H CA 1.321 56.894 56.048 -0.792 0.000 1.327 115 H CB -0.127 28.634 29.762 -1.669 0.000 1.383 115 H HN 0.409 nan 8.280 nan 0.000 0.508 116 Y N 0.566 120.666 120.300 -0.334 0.000 2.571 116 Y HA 0.205 4.755 4.550 0.001 0.000 0.275 116 Y C 0.641 176.460 175.900 -0.134 0.000 1.179 116 Y CA -0.441 57.486 58.100 -0.287 0.000 1.242 116 Y CB -0.226 38.206 38.460 -0.047 0.000 1.126 116 Y HN 0.016 nan 8.280 nan 0.000 0.524 117 K N 0.887 121.268 120.400 -0.031 0.000 2.473 117 K HA 0.060 4.380 4.320 0.001 0.000 0.277 117 K C 1.276 177.880 176.600 0.008 0.000 1.052 117 K CA 1.312 57.600 56.287 0.002 0.000 1.114 117 K CB -0.308 32.159 32.500 -0.054 0.000 0.869 117 K HN 0.656 nan 8.250 nan 0.000 0.481 118 G N 3.736 112.569 108.800 0.055 0.000 2.184 118 G HA2 -0.307 3.653 3.960 0.001 0.000 0.264 118 G HA3 -0.307 3.653 3.960 0.001 0.000 0.264 118 G C 0.526 175.454 174.900 0.047 0.000 0.975 118 G CA 0.773 45.900 45.100 0.045 0.000 0.642 118 G HN 0.737 nan 8.290 nan 0.000 0.536 119 K N -0.722 119.706 120.400 0.046 0.000 2.373 119 K HA 0.354 4.674 4.320 0.001 0.000 0.200 119 K C 0.446 177.082 176.600 0.060 0.000 1.054 119 K CA -0.117 56.204 56.287 0.058 0.000 1.065 119 K CB 0.866 33.319 32.500 -0.079 0.000 0.886 119 K HN 0.311 nan 8.250 nan 0.000 0.546 120 I N 1.294 121.865 120.570 0.002 0.000 2.330 120 I HA 0.180 4.351 4.170 0.001 0.000 0.289 120 I C 1.214 177.270 176.117 -0.101 0.000 1.001 120 I CA -0.241 60.966 61.300 -0.155 0.000 1.193 120 I CB 0.922 38.646 38.000 -0.460 0.000 1.345 120 I HN 0.003 nan 8.210 nan 0.000 0.461 121 A N 6.479 129.228 122.820 -0.117 0.000 1.877 121 A HA -0.100 4.221 4.320 0.001 0.000 0.216 121 A C 0.826 178.381 177.584 -0.048 0.000 1.186 121 A CA 1.301 53.297 52.037 -0.069 0.000 0.620 121 A CB 0.003 18.940 19.000 -0.105 0.000 0.822 121 A HN 0.779 nan 8.150 nan 0.000 0.443 122 Q N -3.137 116.587 119.800 -0.126 0.000 2.315 122 Q HA 0.458 4.799 4.340 0.001 0.000 0.273 122 Q C -2.024 173.895 176.000 -0.135 0.000 1.053 122 Q CA -0.299 55.478 55.803 -0.043 0.000 0.817 122 Q CB 2.025 30.758 28.738 -0.008 0.000 1.326 122 Q HN 0.549 nan 8.270 nan 0.000 0.423 123 W N 1.630 122.955 121.300 0.042 0.000 2.532 123 W HA 0.312 4.972 4.660 0.000 0.000 0.321 123 W C -0.578 175.955 176.519 0.024 0.000 1.037 123 W CA -0.431 56.930 57.345 0.027 0.000 1.220 123 W CB 1.586 31.057 29.460 0.018 0.000 1.361 123 W HN 0.454 nan 8.180 nan 0.000 0.468 124 D N 3.611 124.209 120.400 0.331 0.000 2.483 124 D HA 0.059 4.699 4.640 0.001 0.000 0.220 124 D C 1.210 177.593 176.300 0.138 0.000 1.173 124 D CA 0.217 54.315 54.000 0.163 0.000 0.964 124 D CB 1.106 41.964 40.800 0.096 0.000 1.046 124 D HN 0.112 nan 8.370 nan 0.000 0.517 125 V N 1.585 121.514 119.914 0.025 0.000 2.261 125 V HA -0.142 3.978 4.120 0.001 0.000 0.246 125 V C 1.135 177.131 176.094 -0.163 0.000 1.047 125 V CA 1.081 63.262 62.300 -0.197 0.000 1.015 125 V CB -0.049 31.368 31.823 -0.677 0.000 0.642 125 V HN 0.252 nan 8.190 nan 0.000 0.446 126 V N 0.701 120.529 119.914 -0.144 0.000 2.540 126 V HA 0.484 4.604 4.120 0.001 0.000 0.302 126 V C -0.718 175.349 176.094 -0.045 0.000 1.035 126 V CA -0.678 61.650 62.300 0.047 0.000 0.873 126 V CB 1.652 33.569 31.823 0.156 0.000 0.992 126 V HN 0.448 nan 8.190 nan 0.000 0.428 127 N N 2.306 120.995 118.700 -0.019 0.000 2.342 127 N HA 0.376 5.116 4.740 0.001 0.000 0.293 127 N C -0.375 175.141 175.510 0.010 0.000 1.026 127 N CA -0.517 52.353 53.050 -0.300 0.000 0.857 127 N CB 1.231 39.222 38.487 -0.826 0.000 1.256 127 N HN 0.753 nan 8.380 nan 0.000 0.484 128 E N 1.243 121.427 120.200 -0.026 0.000 2.197 128 E HA -0.257 4.093 4.350 0.001 0.000 0.184 128 E C -0.320 176.570 176.600 0.483 0.000 1.439 128 E CA 0.565 57.134 56.400 0.281 0.000 0.688 128 E CB -1.317 28.715 29.700 0.553 0.000 1.090 128 E HN 0.565 nan 8.360 nan 0.000 0.341 129 A N 0.474 123.656 122.820 0.604 0.000 2.275 129 A HA 0.285 4.606 4.320 0.001 0.000 0.212 129 A C 0.015 177.798 177.584 0.331 0.000 1.201 129 A CA 0.150 52.537 52.037 0.583 0.000 0.843 129 A CB 0.283 19.670 19.000 0.645 0.000 0.873 129 A HN 0.246 nan 8.150 nan 0.000 0.492 130 F N -0.575 119.483 119.950 0.180 0.000 2.480 130 F HA 0.505 5.033 4.527 0.001 0.000 0.329 130 F C 0.884 176.701 175.800 0.027 0.000 1.091 130 F CA -0.939 57.112 58.000 0.085 0.000 0.972 130 F CB 1.716 40.758 39.000 0.069 0.000 1.150 130 F HN -0.036 nan 8.300 nan 0.000 0.467 131 S N 0.754 116.539 115.700 0.142 0.000 2.584 131 S HA 0.094 4.564 4.470 0.001 0.000 0.270 131 S C 0.438 175.111 174.600 0.121 0.000 1.346 131 S CA -0.419 57.837 58.200 0.094 0.000 1.018 131 S CB 0.387 63.614 63.200 0.045 0.000 0.899 131 S HN 0.628 nan 8.310 nan 0.000 0.542 132 D N 1.120 121.591 120.400 0.117 0.000 2.395 132 D HA 0.070 4.710 4.640 0.001 0.000 0.213 132 D C 0.553 176.896 176.300 0.071 0.000 1.110 132 D CA 0.128 54.209 54.000 0.135 0.000 0.835 132 D CB 0.139 41.070 40.800 0.218 0.000 0.965 132 D HN 0.753 nan 8.370 nan 0.000 0.505 133 D N -0.105 120.323 120.400 0.048 0.000 2.363 133 D HA 0.004 4.645 4.640 0.001 0.000 0.226 133 D C 1.597 177.884 176.300 -0.022 0.000 1.020 133 D CA 0.718 54.725 54.000 0.012 0.000 0.892 133 D CB -0.153 40.655 40.800 0.013 0.000 0.900 133 D HN 0.161 nan 8.370 nan 0.000 0.531 134 G N -0.221 108.563 108.800 -0.026 0.000 2.157 134 G HA2 -0.341 3.620 3.960 0.001 0.000 0.248 134 G HA3 -0.341 3.620 3.960 0.001 0.000 0.248 134 G C 1.128 176.008 174.900 -0.034 0.000 0.979 134 G CA 0.779 45.837 45.100 -0.069 0.000 0.650 134 G HN 0.682 nan 8.290 nan 0.000 0.529 135 S N -0.609 115.092 115.700 0.001 0.000 2.478 135 S HA 0.405 4.876 4.470 0.001 0.000 0.222 135 S C 2.287 176.911 174.600 0.039 0.000 1.008 135 S CA 1.461 59.667 58.200 0.010 0.000 0.928 135 S CB 0.198 63.403 63.200 0.009 0.000 0.781 135 S HN 2.337 nan 8.310 nan 0.000 0.518 136 G N 0.592 109.442 108.800 0.083 0.000 2.148 136 G HA2 -0.070 3.890 3.960 0.001 0.000 0.254 136 G HA3 -0.070 3.890 3.960 0.001 0.000 0.254 136 G C 0.361 175.404 174.900 0.238 0.000 0.981 136 G CA 0.037 45.231 45.100 0.157 0.000 0.670 136 G HN 1.073 nan 8.290 nan 0.000 0.528 137 G N -1.074 107.799 108.800 0.121 0.000 2.613 137 G HA2 0.648 4.609 3.960 0.001 0.000 0.303 137 G HA3 0.648 4.609 3.960 0.001 0.000 0.303 137 G C 0.123 174.880 174.900 -0.238 0.000 1.312 137 G CA -0.939 44.150 45.100 -0.019 0.000 1.036 137 G HN 0.318 nan 8.290 nan 0.000 0.513 138 R N -0.017 120.238 120.500 -0.409 0.000 2.543 138 R HA 0.147 4.488 4.340 0.001 0.000 0.277 138 R C 0.759 176.954 176.300 -0.175 0.000 1.074 138 R CA -0.295 55.523 56.100 -0.470 0.000 1.076 138 R CB 0.644 30.774 30.300 -0.282 0.000 0.993 138 R HN 0.783 nan 8.270 nan 0.000 0.459 139 R N 0.033 120.468 120.500 -0.108 0.000 2.539 139 R HA 0.125 4.465 4.340 0.001 0.000 0.275 139 R C -0.552 175.710 176.300 -0.063 0.000 1.077 139 R CA -0.486 55.574 56.100 -0.065 0.000 1.097 139 R CB 0.420 30.664 30.300 -0.094 0.000 1.018 139 R HN 0.389 nan 8.270 nan 0.000 0.483 140 D N 1.994 122.359 120.400 -0.060 0.000 2.374 140 D HA 0.113 4.754 4.640 0.001 0.000 0.240 140 D C -0.948 175.306 176.300 -0.077 0.000 1.229 140 D CA 0.017 53.983 54.000 -0.058 0.000 0.895 140 D CB 0.558 41.333 40.800 -0.041 0.000 1.046 140 D HN 0.646 nan 8.370 nan 0.000 0.498 141 S N 2.594 118.231 115.700 -0.105 0.000 2.667 141 S HA 0.305 4.776 4.470 0.001 0.000 0.292 141 S C 1.227 175.722 174.600 -0.174 0.000 1.126 141 S CA -0.865 57.263 58.200 -0.121 0.000 0.881 141 S CB 1.225 64.359 63.200 -0.110 0.000 1.132 141 S HN 0.392 nan 8.310 nan 0.000 0.492 142 N N 1.367 119.964 118.700 -0.171 0.000 2.149 142 N HA -0.159 4.582 4.740 0.001 0.000 0.188 142 N C 1.530 176.869 175.510 -0.285 0.000 1.019 142 N CA 1.606 54.545 53.050 -0.186 0.000 0.857 142 N CB -1.092 37.297 38.487 -0.162 0.000 0.997 142 N HN 0.685 nan 8.380 nan 0.000 0.426 143 L N -0.285 120.668 121.223 -0.450 0.000 2.046 143 L HA -0.139 4.201 4.340 0.001 0.000 0.208 143 L C 2.838 179.087 176.870 -1.036 0.000 1.077 143 L CA 1.442 55.790 54.840 -0.820 0.000 0.747 143 L CB -0.533 40.742 42.059 -1.307 0.000 0.896 143 L HN 0.234 nan 8.230 nan 0.000 0.432 144 Q N 0.686 120.031 119.800 -0.758 0.000 2.119 144 Q HA -0.146 4.195 4.340 0.001 0.000 0.201 144 Q C 2.110 178.036 176.000 -0.123 0.000 0.972 144 Q CA 1.469 57.083 55.803 -0.315 0.000 0.847 144 Q CB -0.054 28.663 28.738 -0.034 0.000 0.903 144 Q HN 0.300 nan 8.270 nan 0.000 0.433 145 R N -0.257 120.156 120.500 -0.145 0.000 2.328 145 R HA -0.025 4.315 4.340 0.001 0.000 0.207 145 R C 1.623 177.891 176.300 -0.053 0.000 1.056 145 R CA 1.299 57.355 56.100 -0.074 0.000 1.016 145 R CB -0.275 29.980 30.300 -0.076 0.000 0.872 145 R HN 0.433 nan 8.270 nan 0.000 0.471 146 T N -2.584 111.923 114.554 -0.078 0.000 3.129 146 T HA 0.235 4.585 4.350 0.001 0.000 0.251 146 T C 0.719 175.449 174.700 0.050 0.000 1.117 146 T CA 0.322 62.408 62.100 -0.023 0.000 1.034 146 T CB 0.711 69.556 68.868 -0.038 0.000 0.968 146 T HN 0.314 nan 8.240 nan 0.000 0.526 147 G N 0.938 109.789 108.800 0.085 0.000 2.801 147 G HA2 -0.049 3.911 3.960 0.001 0.000 0.648 147 G HA3 -0.049 3.911 3.960 0.001 0.000 0.648 147 G C -0.104 174.954 174.900 0.263 0.000 1.415 147 G CA -0.337 44.846 45.100 0.139 0.000 0.887 147 G HN 0.115 nan 8.290 nan 0.000 0.627 148 N N 0.560 119.382 118.700 0.203 0.000 2.348 148 N HA -0.129 4.611 4.740 0.001 0.000 0.185 148 N C 1.853 177.480 175.510 0.195 0.000 1.019 148 N CA 1.998 55.177 53.050 0.215 0.000 0.880 148 N CB 0.166 38.718 38.487 0.107 0.000 0.965 148 N HN 0.675 nan 8.380 nan 0.000 0.437 149 D N -0.450 120.059 120.400 0.182 0.000 2.349 149 D HA -0.124 4.517 4.640 0.001 0.000 0.224 149 D C 1.736 178.129 176.300 0.155 0.000 1.029 149 D CA -0.037 54.040 54.000 0.128 0.000 0.879 149 D CB -0.877 39.982 40.800 0.097 0.000 0.906 149 D HN 0.571 nan 8.370 nan 0.000 0.528 150 W N 1.550 122.903 121.300 0.088 0.000 2.338 150 W HA -0.137 4.523 4.660 0.001 0.000 0.304 150 W C 1.596 178.195 176.519 0.134 0.000 1.212 150 W CA 0.206 57.606 57.345 0.092 0.000 1.264 150 W CB -1.151 28.357 29.460 0.081 0.000 1.142 150 W HN -0.093 nan 8.180 nan 0.000 0.512 151 I N 1.470 121.646 120.570 -0.656 0.000 2.163 151 I HA -0.324 3.846 4.170 0.001 0.000 0.243 151 I C 2.820 178.940 176.117 0.005 0.000 1.085 151 I CA 2.362 63.358 61.300 -0.507 0.000 1.347 151 I CB -0.801 36.934 38.000 -0.441 0.000 1.044 151 I HN 0.052 nan 8.210 nan 0.000 0.408 152 E N 0.971 121.132 120.200 -0.066 0.000 2.085 152 E HA -0.203 4.147 4.350 0.001 0.000 0.194 152 E C 2.299 178.854 176.600 -0.076 0.000 0.994 152 E CA 1.594 57.829 56.400 -0.276 0.000 0.801 152 E CB 0.138 29.640 29.700 -0.329 0.000 0.743 152 E HN 0.285 nan 8.360 nan 0.000 0.453 153 V N 1.209 121.126 119.914 0.006 0.000 2.358 153 V HA -0.256 3.865 4.120 0.001 0.000 0.246 153 V C 2.482 178.608 176.094 0.054 0.000 1.047 153 V CA 1.695 64.022 62.300 0.045 0.000 1.035 153 V CB -0.805 31.074 31.823 0.094 0.000 0.658 153 V HN 0.441 nan 8.190 nan 0.000 0.452 154 A N -0.304 122.555 122.820 0.065 0.000 1.883 154 A HA -0.232 4.088 4.320 0.001 0.000 0.217 154 A C 2.050 179.573 177.584 -0.101 0.000 1.186 154 A CA 2.094 54.129 52.037 -0.004 0.000 0.624 154 A CB -0.764 18.220 19.000 -0.027 0.000 0.822 154 A HN 0.468 nan 8.150 nan 0.000 0.444 155 F N -0.323 119.603 119.950 -0.039 0.000 2.146 155 F HA -0.086 4.442 4.527 0.000 0.000 0.298 155 F C 2.606 178.371 175.800 -0.058 0.000 1.096 155 F CA 1.697 59.668 58.000 -0.048 0.000 1.275 155 F CB -0.283 38.655 39.000 -0.103 0.000 1.008 155 F HN 0.100 nan 8.300 nan 0.000 0.480 156 R N -0.570 119.988 120.500 0.098 0.000 2.081 156 R HA -0.120 4.220 4.340 0.001 0.000 0.235 156 R C 2.078 178.393 176.300 0.025 0.000 1.131 156 R CA 1.883 58.006 56.100 0.038 0.000 0.960 156 R CB -0.978 29.322 30.300 0.000 0.000 0.856 156 R HN 0.223 nan 8.270 nan 0.000 0.436 157 T N 0.952 115.515 114.554 0.014 0.000 2.708 157 T HA -0.146 4.205 4.350 0.001 0.000 0.266 157 T C 1.980 176.664 174.700 -0.028 0.000 1.037 157 T CA 1.427 63.525 62.100 -0.004 0.000 1.146 157 T CB -0.272 68.596 68.868 -0.000 0.000 0.865 157 T HN 0.376 nan 8.240 nan 0.000 0.435 158 A N 1.976 124.768 122.820 -0.047 0.000 1.883 158 A HA -0.152 4.169 4.320 0.001 0.000 0.217 158 A C 2.259 179.834 177.584 -0.015 0.000 1.186 158 A CA 2.165 54.156 52.037 -0.077 0.000 0.624 158 A CB -0.637 18.296 19.000 -0.112 0.000 0.822 158 A HN 0.363 nan 8.150 nan 0.000 0.444 159 R N 0.216 120.739 120.500 0.038 0.000 2.103 159 R HA -0.115 4.225 4.340 0.001 0.000 0.242 159 R C 2.090 178.405 176.300 0.025 0.000 1.142 159 R CA 2.201 58.333 56.100 0.053 0.000 0.960 159 R CB -0.844 29.494 30.300 0.063 0.000 0.858 159 R HN 0.412 nan 8.270 nan 0.000 0.439 160 A N 0.047 122.873 122.820 0.010 0.000 1.898 160 A HA 0.047 4.367 4.320 0.001 0.000 0.216 160 A C 2.391 179.967 177.584 -0.013 0.000 1.181 160 A CA 1.569 53.606 52.037 0.000 0.000 0.620 160 A CB -1.015 17.984 19.000 -0.002 0.000 0.819 160 A HN 0.507 nan 8.150 nan 0.000 0.442 161 A N -1.183 121.618 122.820 -0.031 0.000 1.902 161 A HA 0.004 4.324 4.320 0.001 0.000 0.217 161 A C 0.931 178.491 177.584 -0.039 0.000 1.181 161 A CA 1.846 53.850 52.037 -0.055 0.000 0.623 161 A CB -0.125 18.813 19.000 -0.103 0.000 0.818 161 A HN 0.446 nan 8.150 nan 0.000 0.443 162 D N -2.717 117.676 120.400 -0.013 0.000 2.351 162 D HA 0.199 4.839 4.640 0.001 0.000 0.235 162 D C -2.416 173.917 176.300 0.055 0.000 1.331 162 D CA -1.192 52.824 54.000 0.026 0.000 0.959 162 D CB 1.165 42.000 40.800 0.057 0.000 1.432 162 D HN 0.001 nan 8.370 nan 0.000 0.544 163 P HA 0.003 nan 4.420 nan 0.000 0.230 163 P C 0.932 178.272 177.300 0.066 0.000 1.158 163 P CA 0.335 63.467 63.100 0.053 0.000 0.769 163 P CB 0.387 32.108 31.700 0.036 0.000 0.807 164 A N -0.260 122.601 122.820 0.068 0.000 2.169 164 A HA 0.390 4.711 4.320 0.001 0.000 0.212 164 A C 1.413 179.054 177.584 0.094 0.000 1.153 164 A CA 0.320 52.399 52.037 0.070 0.000 0.756 164 A CB -0.598 18.436 19.000 0.057 0.000 0.813 164 A HN 0.277 nan 8.150 nan 0.000 0.471 165 A N 0.235 123.134 122.820 0.131 0.000 2.331 165 A HA 0.511 4.832 4.320 0.001 0.000 0.283 165 A C 0.183 177.871 177.584 0.175 0.000 1.142 165 A CA -0.484 51.660 52.037 0.179 0.000 0.812 165 A CB 0.162 19.359 19.000 0.327 0.000 1.074 165 A HN 0.333 nan 8.150 nan 0.000 0.497 166 K N 2.663 123.156 120.400 0.156 0.000 2.297 166 K HA 0.414 4.735 4.320 0.001 0.000 0.286 166 K C -1.002 175.730 176.600 0.221 0.000 1.053 166 K CA -0.080 56.303 56.287 0.160 0.000 0.940 166 K CB 0.140 32.717 32.500 0.128 0.000 1.019 166 K HN 0.662 nan 8.250 nan 0.000 0.475 167 L N 5.412 126.792 121.223 0.261 0.000 2.264 167 L HA 0.362 4.702 4.340 0.001 0.000 0.289 167 L C -0.533 176.607 176.870 0.451 0.000 1.044 167 L CA -1.051 54.013 54.840 0.374 0.000 0.807 167 L CB 1.016 43.354 42.059 0.465 0.000 1.192 167 L HN 0.694 nan 8.230 nan 0.000 0.425 168 c N 1.970 120.815 118.600 0.409 0.000 2.529 168 c HA 0.469 5.039 4.570 0.001 0.000 0.329 168 c C -0.221 174.146 174.090 0.461 0.000 1.194 168 c CA -0.945 55.599 56.329 0.359 0.000 1.779 168 c CB 1.484 44.099 42.510 0.175 0.000 2.322 168 c HN 0.637 nan 8.230 nan 0.000 0.500 169 Y N 2.432 122.916 120.300 0.307 0.000 2.331 169 Y HA 0.529 5.079 4.550 0.001 0.000 0.338 169 Y C -0.237 175.658 175.900 -0.008 0.000 0.992 169 Y CA -0.266 57.992 58.100 0.263 0.000 1.121 169 Y CB 0.508 39.091 38.460 0.206 0.000 1.184 169 Y HN 0.791 nan 8.280 nan 0.000 0.469 170 N N 4.336 122.574 118.700 -0.771 0.000 2.321 170 N HA 0.420 5.161 4.740 0.001 0.000 0.299 170 N C -1.993 173.061 175.510 -0.760 0.000 1.048 170 N CA -0.311 52.364 53.050 -0.623 0.000 0.836 170 N CB 1.248 39.526 38.487 -0.349 0.000 1.269 170 N HN 0.772 nan 8.380 nan 0.000 0.486 171 D N 0.328 120.421 120.400 -0.511 0.000 2.671 171 D HA 0.253 4.893 4.640 0.001 0.000 0.273 171 D C -1.467 174.741 176.300 -0.154 0.000 1.264 171 D CA -0.294 53.522 54.000 -0.308 0.000 0.788 171 D CB 0.909 41.562 40.800 -0.246 0.000 1.324 171 D HN 0.420 nan 8.370 nan 0.000 0.424 172 Y N -0.447 119.822 120.300 -0.051 0.000 2.587 172 Y HA 0.528 5.079 4.550 0.001 0.000 0.337 172 Y C 0.727 176.650 175.900 0.039 0.000 1.065 172 Y CA -0.880 57.206 58.100 -0.023 0.000 1.126 172 Y CB 0.683 39.185 38.460 0.069 0.000 1.279 172 Y HN 0.582 nan 8.280 nan 0.000 0.489 173 N N 0.542 119.311 118.700 0.115 0.000 2.741 173 N HA -0.225 4.515 4.740 0.001 0.000 0.250 173 N C -0.133 175.377 175.510 -0.001 0.000 1.115 173 N CA 0.958 54.024 53.050 0.027 0.000 0.724 173 N CB -0.984 37.674 38.487 0.285 0.000 1.090 173 N HN 0.796 nan 8.380 nan 0.000 0.558 174 I N -3.633 116.947 120.570 0.017 0.000 3.856 174 I HA 0.278 4.449 4.170 0.001 0.000 0.330 174 I C 0.769 177.073 176.117 0.311 0.000 1.546 174 I CA -0.409 60.966 61.300 0.126 0.000 1.132 174 I CB 0.509 38.536 38.000 0.044 0.000 1.157 174 I HN -0.125 nan 8.210 nan 0.000 0.440 175 E N 1.096 121.376 120.200 0.135 0.000 2.127 175 E HA 0.065 4.416 4.350 0.001 0.000 0.191 175 E C 0.797 177.479 176.600 0.136 0.000 0.964 175 E CA 0.294 56.791 56.400 0.162 0.000 0.832 175 E CB 0.049 29.592 29.700 -0.262 0.000 0.790 175 E HN 0.349 nan 8.360 nan 0.000 0.465 176 N N 1.100 119.708 118.700 -0.155 0.000 2.405 176 N HA -0.092 4.648 4.740 0.001 0.000 0.260 176 N C 0.247 175.811 175.510 0.091 0.000 1.152 176 N CA 0.008 52.962 53.050 -0.159 0.000 0.948 176 N CB 0.241 38.371 38.487 -0.594 0.000 1.111 176 N HN 0.314 nan 8.380 nan 0.000 0.485 177 W N 3.773 125.094 121.300 0.036 0.000 2.341 177 W HA -0.237 4.423 4.660 0.001 0.000 0.283 177 W C 1.223 177.805 176.519 0.105 0.000 1.215 177 W CA 2.016 59.403 57.345 0.070 0.000 1.211 177 W CB -0.021 29.445 29.460 0.009 0.000 1.131 177 W HN 0.635 nan 8.180 nan 0.000 0.552 178 T N -2.912 111.697 114.554 0.091 0.000 3.055 178 T HA -0.138 4.213 4.350 0.001 0.000 0.265 178 T C 0.342 175.117 174.700 0.126 0.000 1.111 178 T CA 0.037 62.163 62.100 0.045 0.000 1.118 178 T CB -0.691 68.276 68.868 0.165 0.000 0.909 178 T HN -0.042 nan 8.240 nan 0.000 0.501 179 W N 1.645 122.883 121.300 -0.104 0.000 2.210 179 W HA 0.652 5.312 4.660 0.001 0.000 0.330 179 W C 1.622 178.071 176.519 -0.117 0.000 1.334 179 W CA -1.009 56.294 57.345 -0.069 0.000 1.227 179 W CB 0.193 29.650 29.460 -0.005 0.000 1.178 179 W HN 0.233 nan 8.180 nan 0.000 0.560 180 A N 3.394 126.244 122.820 0.050 0.000 1.940 180 A HA -0.254 4.066 4.320 0.001 0.000 0.219 180 A C 2.065 179.681 177.584 0.054 0.000 1.176 180 A CA 1.925 53.964 52.037 0.002 0.000 0.631 180 A CB -0.518 18.470 19.000 -0.020 0.000 0.814 180 A HN 0.723 nan 8.150 nan 0.000 0.446 181 K N -0.879 119.602 120.400 0.134 0.000 2.063 181 K HA -0.149 4.171 4.320 0.001 0.000 0.208 181 K C 2.021 178.641 176.600 0.032 0.000 1.048 181 K CA 1.897 58.265 56.287 0.135 0.000 0.928 181 K CB -0.328 32.292 32.500 0.198 0.000 0.713 181 K HN 0.492 nan 8.250 nan 0.000 0.442 182 T N 1.553 116.160 114.554 0.087 0.000 2.746 182 T HA -0.142 4.209 4.350 0.001 0.000 0.267 182 T C 1.772 176.471 174.700 -0.002 0.000 1.039 182 T CA 1.203 63.357 62.100 0.090 0.000 1.142 182 T CB -0.142 68.795 68.868 0.115 0.000 0.866 182 T HN 0.310 nan 8.240 nan 0.000 0.444 183 Q N 0.665 120.367 119.800 -0.163 0.000 2.084 183 Q HA -0.009 4.331 4.340 0.001 0.000 0.202 183 Q C 2.758 178.732 176.000 -0.042 0.000 0.978 183 Q CA 1.621 57.304 55.803 -0.200 0.000 0.844 183 Q CB -1.067 27.530 28.738 -0.235 0.000 0.898 183 Q HN 0.613 nan 8.270 nan 0.000 0.426 184 G N 0.953 109.733 108.800 -0.033 0.000 2.459 184 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 184 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 184 G C 1.637 176.389 174.900 -0.246 0.000 1.183 184 G CA 1.193 46.316 45.100 0.039 0.000 0.776 184 G HN 0.272 nan 8.290 nan 0.000 0.552 185 V N -0.152 119.381 119.914 -0.636 0.000 2.427 185 V HA -0.168 3.952 4.120 0.001 0.000 0.248 185 V C 2.267 178.268 176.094 -0.156 0.000 1.051 185 V CA 1.716 63.577 62.300 -0.733 0.000 1.048 185 V CB -0.672 30.825 31.823 -0.543 0.000 0.666 185 V HN 0.492 nan 8.190 nan 0.000 0.456 186 Y N 2.051 122.311 120.300 -0.067 0.000 2.145 186 Y HA -0.233 4.317 4.550 0.001 0.000 0.286 186 Y C 2.529 178.268 175.900 -0.268 0.000 1.145 186 Y CA 2.010 59.933 58.100 -0.294 0.000 1.148 186 Y CB -0.410 37.848 38.460 -0.336 0.000 0.981 186 Y HN 0.283 nan 8.280 nan 0.000 0.507 187 N N 0.307 118.885 118.700 -0.203 0.000 2.104 187 N HA -0.251 4.490 4.740 0.001 0.000 0.190 187 N C 2.064 177.374 175.510 -0.332 0.000 1.024 187 N CA 1.829 54.730 53.050 -0.248 0.000 0.853 187 N CB -0.634 37.811 38.487 -0.071 0.000 1.008 187 N HN 0.550 nan 8.380 nan 0.000 0.424 188 M N 0.752 120.145 119.600 -0.345 0.000 2.059 188 M HA -0.144 4.337 4.480 0.001 0.000 0.259 188 M C 1.753 177.553 176.300 -0.833 0.000 1.072 188 M CA 1.503 56.460 55.300 -0.571 0.000 1.117 188 M CB -0.099 32.170 32.600 -0.551 0.000 1.320 188 M HN -0.119 nan 8.290 nan 0.000 0.408 189 V N 0.828 120.360 119.914 -0.637 0.000 2.332 189 V HA -0.302 3.818 4.120 0.001 0.000 0.248 189 V C 2.594 178.481 176.094 -0.345 0.000 1.055 189 V CA 2.337 64.372 62.300 -0.443 0.000 1.038 189 V CB -1.173 30.569 31.823 -0.135 0.000 0.651 189 V HN 0.566 nan 8.190 nan 0.000 0.450 190 R N 0.260 120.477 120.500 -0.473 0.000 2.083 190 R HA -0.252 4.088 4.340 0.001 0.000 0.237 190 R C 2.160 178.329 176.300 -0.219 0.000 1.137 190 R CA 2.457 58.314 56.100 -0.405 0.000 0.951 190 R CB -0.544 29.410 30.300 -0.577 0.000 0.851 190 R HN 0.626 nan 8.270 nan 0.000 0.434 191 D N -0.357 119.912 120.400 -0.218 0.000 2.104 191 D HA -0.190 4.450 4.640 0.001 0.000 0.194 191 D C 1.784 178.134 176.300 0.083 0.000 0.994 191 D CA 1.352 55.306 54.000 -0.077 0.000 0.830 191 D CB -0.135 40.615 40.800 -0.083 0.000 0.959 191 D HN 0.160 nan 8.370 nan 0.000 0.452 192 F N 1.037 120.901 119.950 -0.143 0.000 2.095 192 F HA -0.111 4.416 4.527 0.001 0.000 0.298 192 F C 2.321 178.047 175.800 -0.123 0.000 1.104 192 F CA 0.951 58.864 58.000 -0.145 0.000 1.232 192 F CB -0.844 38.026 39.000 -0.218 0.000 0.987 192 F HN 0.025 nan 8.300 nan 0.000 0.475 193 K N 0.449 120.895 120.400 0.076 0.000 2.057 193 K HA -0.153 4.167 4.320 0.001 0.000 0.207 193 K C 1.936 178.537 176.600 0.002 0.000 1.049 193 K CA 1.077 57.372 56.287 0.013 0.000 0.931 193 K CB -0.855 31.631 32.500 -0.023 0.000 0.714 193 K HN 0.438 nan 8.250 nan 0.000 0.440 194 Q N 0.200 119.997 119.800 -0.005 0.000 2.167 194 Q HA -0.036 4.305 4.340 0.001 0.000 0.202 194 Q C 1.715 177.717 176.000 0.004 0.000 0.970 194 Q CA 0.996 56.795 55.803 -0.007 0.000 0.855 194 Q CB -0.004 28.723 28.738 -0.018 0.000 0.911 194 Q HN 0.245 nan 8.270 nan 0.000 0.438 195 R N -0.603 119.909 120.500 0.019 0.000 2.317 195 R HA 0.111 4.451 4.340 0.001 0.000 0.208 195 R C 0.756 177.050 176.300 -0.010 0.000 0.914 195 R CA 0.526 56.632 56.100 0.010 0.000 1.060 195 R CB 0.615 30.930 30.300 0.025 0.000 1.015 195 R HN 0.340 nan 8.270 nan 0.000 0.498 196 G N 1.236 110.029 108.800 -0.011 0.000 2.143 196 G HA2 -0.255 3.705 3.960 0.001 0.000 0.248 196 G HA3 -0.255 3.705 3.960 0.001 0.000 0.248 196 G C 0.242 175.108 174.900 -0.057 0.000 0.991 196 G CA 0.046 45.132 45.100 -0.024 0.000 0.689 196 G HN 0.148 nan 8.290 nan 0.000 0.522 197 V N 2.513 122.366 119.914 -0.101 0.000 2.585 197 V HA 0.269 4.389 4.120 0.001 0.000 0.296 197 V C -0.777 175.215 176.094 -0.170 0.000 1.035 197 V CA -0.346 61.815 62.300 -0.231 0.000 1.084 197 V CB 1.025 32.497 31.823 -0.585 0.000 0.953 197 V HN 0.315 nan 8.190 nan 0.000 0.483 198 P HA 0.226 nan 4.420 nan 0.000 0.259 198 P C -0.576 176.705 177.300 -0.033 0.000 1.635 198 P CA 0.424 63.507 63.100 -0.029 0.000 1.199 198 P CB 0.307 32.028 31.700 0.035 0.000 1.850 199 I N 2.328 122.826 120.570 -0.121 0.000 2.498 199 I HA 0.278 4.448 4.170 0.001 0.000 0.290 199 I C 0.100 176.215 176.117 -0.004 0.000 1.032 199 I CA -0.713 60.470 61.300 -0.195 0.000 1.073 199 I CB 2.346 40.044 38.000 -0.503 0.000 1.251 199 I HN -0.042 nan 8.210 nan 0.000 0.426 200 D N 5.752 126.209 120.400 0.094 0.000 2.423 200 D HA 0.133 4.774 4.640 0.001 0.000 0.208 200 D C 0.093 176.466 176.300 0.121 0.000 1.068 200 D CA 0.404 54.468 54.000 0.106 0.000 0.860 200 D CB 0.846 41.721 40.800 0.125 0.000 0.992 200 D HN 0.484 nan 8.370 nan 0.000 0.504 201 c N -0.024 118.664 118.600 0.146 0.000 3.239 201 c HA 0.693 5.263 4.570 0.001 0.000 0.317 201 c C -1.562 172.608 174.090 0.134 0.000 1.310 201 c CA -0.509 55.907 56.329 0.145 0.000 1.371 201 c CB 1.323 43.921 42.510 0.146 0.000 1.714 201 c HN -0.096 nan 8.230 nan 0.000 0.473 202 V N 2.829 122.789 119.914 0.077 0.000 2.487 202 V HA 0.758 4.879 4.120 0.001 0.000 0.298 202 V C 0.764 176.724 176.094 -0.224 0.000 1.028 202 V CA 0.366 62.602 62.300 -0.107 0.000 0.860 202 V CB 1.591 33.229 31.823 -0.307 0.000 0.991 202 V HN 1.305 nan 8.190 nan 0.000 0.427 203 G N 3.320 111.936 108.800 -0.306 0.000 2.335 203 G HA2 0.640 4.601 3.960 0.001 0.000 0.316 203 G HA3 0.640 4.601 3.960 0.001 0.000 0.316 203 G C -1.115 173.507 174.900 -0.463 0.000 1.129 203 G CA -0.272 44.689 45.100 -0.233 0.000 0.899 203 G HN 0.430 nan 8.290 nan 0.000 0.448 204 F N 1.351 121.248 119.950 -0.087 0.000 2.332 204 F HA 0.296 4.823 4.527 0.001 0.000 0.368 204 F C 1.671 177.361 175.800 -0.183 0.000 1.110 204 F CA -0.640 57.311 58.000 -0.081 0.000 1.087 204 F CB 1.918 40.993 39.000 0.125 0.000 1.235 204 F HN 0.532 nan 8.300 nan 0.000 0.470 205 Q N 1.258 120.950 119.800 -0.181 0.000 2.152 205 Q HA -0.193 4.148 4.340 0.001 0.000 0.206 205 Q C 0.742 176.383 176.000 -0.598 0.000 0.985 205 Q CA 1.608 57.162 55.803 -0.414 0.000 0.863 205 Q CB -0.146 28.377 28.738 -0.358 0.000 0.904 205 Q HN 0.794 nan 8.270 nan 0.000 0.422 206 S N 0.241 115.609 115.700 -0.553 0.000 3.706 206 S HA -0.123 4.348 4.470 0.001 0.000 0.363 206 S C -0.756 173.140 174.600 -1.173 0.000 0.999 206 S CA 0.135 57.730 58.200 -1.008 0.000 1.143 206 S CB -1.549 61.303 63.200 -0.579 0.000 0.902 206 S HN 0.414 nan 8.310 nan 0.000 0.476 207 H N 0.537 119.213 119.070 -0.657 0.000 2.911 207 H HA 0.365 4.921 4.556 0.001 0.000 0.273 207 H C 0.005 175.099 175.328 -0.390 0.000 1.157 207 H CA -0.029 55.821 56.048 -0.330 0.000 1.402 207 H CB -0.116 29.631 29.762 -0.026 0.000 1.463 207 H HN 0.257 nan 8.280 nan 0.000 0.475 208 F N 3.014 123.002 119.950 0.063 0.000 2.421 208 F HA 0.228 4.756 4.527 0.001 0.000 0.337 208 F C 0.687 176.504 175.800 0.028 0.000 1.105 208 F CA -0.798 57.206 58.000 0.008 0.000 1.049 208 F CB 1.203 40.176 39.000 -0.044 0.000 1.139 208 F HN 0.551 nan 8.300 nan 0.000 0.479 209 N N -2.131 116.707 118.700 0.229 0.000 3.106 209 N HA 0.208 4.948 4.740 0.001 0.000 0.253 209 N C 0.042 175.626 175.510 0.123 0.000 1.506 209 N CA -0.397 52.733 53.050 0.133 0.000 0.876 209 N CB 0.580 39.114 38.487 0.078 0.000 1.452 209 N HN 0.244 nan 8.380 nan 0.000 0.542 210 S N -2.128 113.625 115.700 0.089 0.000 2.469 210 S HA -0.005 4.466 4.470 0.001 0.000 0.238 210 S C 1.538 176.203 174.600 0.108 0.000 0.998 210 S CA 1.115 59.367 58.200 0.086 0.000 0.957 210 S CB -1.161 62.077 63.200 0.063 0.000 0.764 210 S HN 0.780 nan 8.310 nan 0.000 0.514 211 G N 0.494 109.366 108.800 0.120 0.000 2.411 211 G HA2 0.166 4.127 3.960 0.001 0.000 0.213 211 G HA3 0.166 4.127 3.960 0.001 0.000 0.213 211 G C 0.585 175.628 174.900 0.239 0.000 1.166 211 G CA 0.355 45.548 45.100 0.155 0.000 0.802 211 G HN 0.561 nan 8.290 nan 0.000 0.533 212 S N 2.197 118.027 115.700 0.217 0.000 2.060 212 S HA 0.381 4.851 4.470 0.001 0.000 0.156 212 S C -2.693 172.012 174.600 0.175 0.000 1.690 212 S CA -0.821 57.499 58.200 0.200 0.000 1.238 212 S CB 2.030 65.325 63.200 0.158 0.000 1.150 212 S HN 0.211 nan 8.310 nan 0.000 0.437 213 P HA 0.050 nan 4.420 nan 0.000 0.272 213 P C -0.497 176.753 177.300 -0.084 0.000 1.223 213 P CA -0.345 62.800 63.100 0.076 0.000 0.784 213 P CB 0.537 32.269 31.700 0.053 0.000 0.923 214 Y N 2.736 122.751 120.300 -0.475 0.000 2.497 214 Y HA 0.195 4.745 4.550 0.001 0.000 0.334 214 Y C 0.080 175.713 175.900 -0.445 0.000 1.199 214 Y CA 0.274 57.779 58.100 -0.992 0.000 1.425 214 Y CB 0.335 38.052 38.460 -1.240 0.000 1.291 214 Y HN 0.359 nan 8.280 nan 0.000 0.562 215 N N 2.442 120.378 118.700 -1.274 0.000 2.225 215 N HA 0.085 4.825 4.740 0.001 0.000 0.298 215 N C 0.324 175.194 175.510 -1.066 0.000 1.076 215 N CA 0.223 52.780 53.050 -0.822 0.000 0.792 215 N CB 2.123 40.385 38.487 -0.374 0.000 1.498 215 N HN 0.831 nan 8.380 nan 0.000 0.474 216 S N 2.409 117.785 115.700 -0.540 0.000 2.420 216 S HA -0.246 4.224 4.470 0.001 0.000 0.237 216 S C 1.225 175.732 174.600 -0.155 0.000 1.023 216 S CA 1.575 59.635 58.200 -0.234 0.000 0.991 216 S CB -0.579 62.594 63.200 -0.044 0.000 0.792 216 S HN 0.795 nan 8.310 nan 0.000 0.488 217 N N 1.062 119.676 118.700 -0.144 0.000 2.609 217 N HA -0.067 4.674 4.740 0.001 0.000 0.190 217 N C 1.002 176.516 175.510 0.007 0.000 1.157 217 N CA 0.468 53.489 53.050 -0.049 0.000 0.918 217 N CB -1.022 37.484 38.487 0.030 0.000 0.978 217 N HN 0.438 nan 8.380 nan 0.000 0.448 218 F N 1.762 121.569 119.950 -0.239 0.000 2.202 218 F HA 0.003 4.531 4.527 0.001 0.000 0.301 218 F C 2.283 178.000 175.800 -0.137 0.000 1.082 218 F CA 0.881 58.779 58.000 -0.171 0.000 1.313 218 F CB -0.330 38.577 39.000 -0.156 0.000 1.024 218 F HN 0.120 nan 8.300 nan 0.000 0.495 219 R N -0.469 119.930 120.500 -0.167 0.000 2.092 219 R HA -0.125 4.215 4.340 0.001 0.000 0.231 219 R C 1.984 178.122 176.300 -0.270 0.000 1.119 219 R CA 1.923 57.860 56.100 -0.272 0.000 0.970 219 R CB -0.492 29.724 30.300 -0.139 0.000 0.864 219 R HN 0.264 nan 8.270 nan 0.000 0.440 220 T N -0.051 114.368 114.554 -0.225 0.000 2.746 220 T HA -0.109 4.242 4.350 0.001 0.000 0.267 220 T C 1.709 176.169 174.700 -0.399 0.000 1.039 220 T CA 1.854 63.758 62.100 -0.327 0.000 1.142 220 T CB -0.349 68.301 68.868 -0.364 0.000 0.866 220 T HN 0.347 nan 8.240 nan 0.000 0.444 221 T N 2.565 117.003 114.554 -0.194 0.000 2.684 221 T HA 0.006 4.357 4.350 0.001 0.000 0.267 221 T C 2.000 176.710 174.700 0.016 0.000 1.036 221 T CA 0.978 63.130 62.100 0.086 0.000 1.148 221 T CB -0.530 68.543 68.868 0.342 0.000 0.863 221 T HN 0.249 nan 8.240 nan 0.000 0.436 222 L N 0.683 121.696 121.223 -0.350 0.000 2.046 222 L HA -0.176 4.165 4.340 0.001 0.000 0.208 222 L C 2.897 179.691 176.870 -0.127 0.000 1.077 222 L CA 1.500 56.107 54.840 -0.389 0.000 0.747 222 L CB -0.630 41.048 42.059 -0.635 0.000 0.896 222 L HN 0.342 nan 8.230 nan 0.000 0.432 223 Q N -0.432 119.261 119.800 -0.179 0.000 2.119 223 Q HA -0.159 4.181 4.340 0.001 0.000 0.201 223 Q C 2.025 177.965 176.000 -0.100 0.000 0.972 223 Q CA 1.223 56.945 55.803 -0.135 0.000 0.847 223 Q CB -0.139 28.491 28.738 -0.180 0.000 0.903 223 Q HN 0.475 nan 8.270 nan 0.000 0.433 224 N N 0.207 118.799 118.700 -0.180 0.000 2.120 224 N HA -0.112 4.628 4.740 0.001 0.000 0.188 224 N C 1.433 176.992 175.510 0.081 0.000 1.024 224 N CA 1.163 54.081 53.050 -0.220 0.000 0.852 224 N CB -0.249 37.784 38.487 -0.757 0.000 1.003 224 N HN 0.168 nan 8.380 nan 0.000 0.424 225 F N 1.277 121.329 119.950 0.170 0.000 2.206 225 F HA 0.037 4.564 4.527 0.001 0.000 0.298 225 F C 2.353 178.238 175.800 0.141 0.000 1.090 225 F CA 0.811 58.975 58.000 0.274 0.000 1.323 225 F CB -0.608 38.612 39.000 0.367 0.000 1.028 225 F HN -0.006 nan 8.300 nan 0.000 0.492 226 A N 0.151 123.121 122.820 0.250 0.000 1.908 226 A HA -0.154 4.166 4.320 0.001 0.000 0.218 226 A C 2.384 180.018 177.584 0.082 0.000 1.181 226 A CA 1.801 53.917 52.037 0.130 0.000 0.627 226 A CB -1.331 17.702 19.000 0.055 0.000 0.818 226 A HN 0.304 nan 8.150 nan 0.000 0.445 227 A N -0.533 122.322 122.820 0.057 0.000 2.070 227 A HA 0.017 4.337 4.320 0.001 0.000 0.220 227 A C 1.951 179.555 177.584 0.034 0.000 1.159 227 A CA 1.294 53.348 52.037 0.028 0.000 0.656 227 A CB -0.532 18.470 19.000 0.003 0.000 0.800 227 A HN 0.498 nan 8.150 nan 0.000 0.453 228 L N -1.502 119.752 121.223 0.052 0.000 2.552 228 L HA 0.115 4.455 4.340 0.001 0.000 0.227 228 L C 1.627 178.510 176.870 0.022 0.000 1.146 228 L CA 0.625 55.470 54.840 0.009 0.000 0.858 228 L CB -0.290 41.745 42.059 -0.040 0.000 0.969 228 L HN 0.599 nan 8.230 nan 0.000 0.451 229 G N 0.700 109.528 108.800 0.047 0.000 2.130 229 G HA2 -0.204 3.756 3.960 0.001 0.000 0.216 229 G HA3 -0.204 3.756 3.960 0.001 0.000 0.216 229 G C 0.039 174.977 174.900 0.063 0.000 0.999 229 G CA 0.053 45.179 45.100 0.044 0.000 0.686 229 G HN 0.228 nan 8.290 nan 0.000 0.515 230 V N -2.964 117.009 119.914 0.098 0.000 2.864 230 V HA 0.872 4.992 4.120 0.001 0.000 0.314 230 V C -0.133 176.041 176.094 0.133 0.000 1.073 230 V CA -1.498 60.872 62.300 0.118 0.000 0.956 230 V CB 2.091 34.004 31.823 0.151 0.000 1.023 230 V HN 0.028 nan 8.190 nan 0.000 0.435 231 D N 1.523 121.996 120.400 0.122 0.000 2.354 231 D HA 0.595 5.236 4.640 0.001 0.000 0.247 231 D C 0.023 176.413 176.300 0.149 0.000 1.138 231 D CA 0.146 54.215 54.000 0.116 0.000 0.958 231 D CB 1.952 42.815 40.800 0.105 0.000 1.144 231 D HN 0.953 nan 8.370 nan 0.000 0.458 232 V N -2.945 117.050 119.914 0.135 0.000 2.914 232 V HA 0.955 5.075 4.120 0.001 0.000 0.314 232 V C -0.916 175.263 176.094 0.141 0.000 1.084 232 V CA -1.002 61.416 62.300 0.196 0.000 0.963 232 V CB 1.574 33.505 31.823 0.181 0.000 1.025 232 V HN 0.683 nan 8.190 nan 0.000 0.432 233 A N 3.138 126.084 122.820 0.209 0.000 2.547 233 A HA 0.855 5.176 4.320 0.001 0.000 0.297 233 A C -1.322 176.382 177.584 0.199 0.000 1.056 233 A CA -0.543 51.580 52.037 0.143 0.000 0.688 233 A CB 1.510 20.610 19.000 0.166 0.000 1.282 233 A HN 0.914 nan 8.150 nan 0.000 0.400 234 I N 2.492 123.132 120.570 0.116 0.000 2.301 234 I HA 0.259 4.429 4.170 0.001 0.000 0.292 234 I C 1.669 177.812 176.117 0.044 0.000 1.046 234 I CA 0.519 61.900 61.300 0.134 0.000 1.282 234 I CB 1.391 39.460 38.000 0.115 0.000 1.409 234 I HN 0.807 nan 8.210 nan 0.000 0.484 235 T N 0.990 115.535 114.554 -0.015 0.000 3.039 235 T HA 0.201 4.552 4.350 0.001 0.000 0.250 235 T C 0.798 175.405 174.700 -0.156 0.000 1.052 235 T CA 0.368 62.419 62.100 -0.081 0.000 1.125 235 T CB 0.019 68.797 68.868 -0.149 0.000 0.908 235 T HN 0.538 nan 8.240 nan 0.000 0.473 236 E N 0.818 120.825 120.200 -0.322 0.000 3.428 236 E HA 0.334 4.684 4.350 0.001 0.000 0.191 236 E C -0.959 175.431 176.600 -0.350 0.000 0.980 236 E CA -0.464 55.689 56.400 -0.411 0.000 1.305 236 E CB 0.693 29.702 29.700 -1.153 0.000 1.105 236 E HN 0.245 nan 8.360 nan 0.000 0.455 237 L N 2.928 124.070 121.223 -0.135 0.000 2.540 237 L HA 0.059 4.399 4.340 0.001 0.000 0.276 237 L C -0.709 176.264 176.870 0.171 0.000 1.212 237 L CA 0.880 55.687 54.840 -0.055 0.000 0.893 237 L CB 0.160 42.256 42.059 0.061 0.000 1.138 237 L HN 0.159 nan 8.230 nan 0.000 0.491 238 D N 3.875 124.359 120.400 0.140 0.000 2.812 238 D HA 0.392 5.032 4.640 0.001 0.000 0.210 238 D C -1.051 175.338 176.300 0.148 0.000 1.260 238 D CA -0.317 53.853 54.000 0.283 0.000 0.817 238 D CB 0.236 41.317 40.800 0.468 0.000 1.694 238 D HN 0.392 nan 8.370 nan 0.000 0.530 239 I N 1.084 121.702 120.570 0.080 0.000 2.389 239 I HA 0.251 4.421 4.170 0.001 0.000 0.288 239 I C 0.158 176.345 176.117 0.117 0.000 0.999 239 I CA -0.952 60.377 61.300 0.049 0.000 1.129 239 I CB 1.961 39.837 38.000 -0.206 0.000 1.288 239 I HN 0.396 nan 8.210 nan 0.000 0.444 240 Q N 5.352 125.219 119.800 0.111 0.000 2.239 240 Q HA 0.140 4.481 4.340 0.001 0.000 0.286 240 Q C 1.102 177.149 176.000 0.078 0.000 1.102 240 Q CA 1.321 57.174 55.803 0.084 0.000 0.936 240 Q CB 0.354 29.130 28.738 0.063 0.000 1.127 240 Q HN 1.027 nan 8.270 nan 0.000 0.380 241 G N 3.131 111.980 108.800 0.082 0.000 2.195 241 G HA2 -0.313 3.648 3.960 0.001 0.000 0.246 241 G HA3 -0.313 3.648 3.960 0.001 0.000 0.246 241 G C 0.505 175.464 174.900 0.098 0.000 0.984 241 G CA 0.094 45.236 45.100 0.069 0.000 0.633 241 G HN 1.832 nan 8.290 nan 0.000 0.525 242 A N -0.900 122.021 122.820 0.168 0.000 2.640 242 A HA 0.063 4.383 4.320 0.001 0.000 0.300 242 A C 1.319 179.051 177.584 0.248 0.000 1.499 242 A CA 1.883 54.105 52.037 0.307 0.000 0.759 242 A CB -1.933 17.221 19.000 0.257 0.000 1.048 242 A HN 2.458 nan 8.150 nan 0.000 0.450 243 S N -0.064 115.723 115.700 0.145 0.000 2.575 243 S HA 0.286 4.757 4.470 0.001 0.000 0.295 243 S C 1.560 176.242 174.600 0.136 0.000 1.267 243 S CA 0.448 58.696 58.200 0.079 0.000 1.074 243 S CB 0.485 63.692 63.200 0.012 0.000 0.829 243 S HN 0.987 nan 8.310 nan 0.000 0.497 244 S N 4.292 120.038 115.700 0.077 0.000 2.356 244 S HA -0.098 4.372 4.470 0.001 0.000 0.223 244 S C 2.228 176.880 174.600 0.087 0.000 1.032 244 S CA 1.661 59.919 58.200 0.096 0.000 1.005 244 S CB -0.497 62.743 63.200 0.067 0.000 0.867 244 S HN 0.818 nan 8.310 nan 0.000 0.449 245 S N 1.219 116.940 115.700 0.035 0.000 2.359 245 S HA -0.116 4.355 4.470 0.001 0.000 0.224 245 S C 2.163 176.724 174.600 -0.065 0.000 1.035 245 S CA 1.701 59.904 58.200 0.005 0.000 1.018 245 S CB -0.770 62.429 63.200 -0.001 0.000 0.876 245 S HN 0.611 nan 8.310 nan 0.000 0.448 246 T N 0.803 115.285 114.554 -0.121 0.000 2.746 246 T HA -0.087 4.263 4.350 0.001 0.000 0.267 246 T C 1.551 176.061 174.700 -0.317 0.000 1.039 246 T CA 1.267 63.159 62.100 -0.347 0.000 1.142 246 T CB -0.477 68.189 68.868 -0.336 0.000 0.866 246 T HN 0.336 nan 8.240 nan 0.000 0.444 247 Y N 1.548 121.776 120.300 -0.121 0.000 2.181 247 Y HA -0.027 4.523 4.550 0.001 0.000 0.288 247 Y C 2.703 178.579 175.900 -0.040 0.000 1.146 247 Y CA 0.744 58.822 58.100 -0.037 0.000 1.164 247 Y CB -0.740 37.731 38.460 0.018 0.000 0.982 247 Y HN 0.211 nan 8.280 nan 0.000 0.515 248 A N -0.561 122.325 122.820 0.109 0.000 1.969 248 A HA -0.043 4.277 4.320 0.001 0.000 0.218 248 A C 2.406 179.991 177.584 0.002 0.000 1.169 248 A CA 1.495 53.564 52.037 0.054 0.000 0.635 248 A CB -1.142 17.882 19.000 0.039 0.000 0.810 248 A HN 0.403 nan 8.150 nan 0.000 0.445 249 A N -0.407 122.359 122.820 -0.089 0.000 1.873 249 A HA -0.003 4.317 4.320 0.001 0.000 0.215 249 A C 2.202 179.731 177.584 -0.091 0.000 1.186 249 A CA 1.754 53.717 52.037 -0.123 0.000 0.616 249 A CB -0.985 17.845 19.000 -0.284 0.000 0.823 249 A HN 0.379 nan 8.150 nan 0.000 0.442 250 V N -0.079 119.722 119.914 -0.187 0.000 2.332 250 V HA -0.244 3.877 4.120 0.001 0.000 0.248 250 V C 2.740 178.902 176.094 0.113 0.000 1.055 250 V CA 2.496 64.822 62.300 0.044 0.000 1.038 250 V CB -1.306 30.549 31.823 0.055 0.000 0.651 250 V HN 0.617 nan 8.190 nan 0.000 0.450 251 T N 0.234 114.853 114.554 0.108 0.000 2.708 251 T HA -0.163 4.187 4.350 0.001 0.000 0.266 251 T C 1.825 176.561 174.700 0.060 0.000 1.037 251 T CA 1.595 63.770 62.100 0.124 0.000 1.146 251 T CB -0.374 68.585 68.868 0.152 0.000 0.865 251 T HN 0.432 nan 8.240 nan 0.000 0.435 252 N N 1.285 120.008 118.700 0.038 0.000 2.309 252 N HA -0.078 4.662 4.740 0.001 0.000 0.182 252 N C 1.474 176.983 175.510 -0.002 0.000 1.018 252 N CA 0.829 53.889 53.050 0.016 0.000 0.876 252 N CB -0.319 38.176 38.487 0.014 0.000 0.972 252 N HN 0.390 nan 8.380 nan 0.000 0.434 253 D N 0.349 120.753 120.400 0.008 0.000 2.117 253 D HA -0.105 4.535 4.640 0.001 0.000 0.197 253 D C 2.016 178.248 176.300 -0.113 0.000 0.987 253 D CA 0.559 54.528 54.000 -0.051 0.000 0.829 253 D CB -0.509 40.270 40.800 -0.034 0.000 0.961 253 D HN 0.193 nan 8.370 nan 0.000 0.460 254 c N 0.575 119.126 118.600 -0.082 0.000 2.429 254 c HA -0.044 4.527 4.570 0.001 0.000 0.277 254 c C 2.811 176.855 174.090 -0.077 0.000 1.262 254 c CA 0.306 56.575 56.329 -0.101 0.000 1.733 254 c CB -1.230 41.236 42.510 -0.072 0.000 2.010 254 c HN 0.282 nan 8.230 nan 0.000 0.483 255 L N 1.056 122.253 121.223 -0.043 0.000 2.191 255 L HA -0.059 4.281 4.340 0.001 0.000 0.212 255 L C 2.766 179.612 176.870 -0.041 0.000 1.103 255 L CA 1.382 56.202 54.840 -0.033 0.000 0.769 255 L CB -0.583 41.469 42.059 -0.013 0.000 0.908 255 L HN 0.440 nan 8.230 nan 0.000 0.438 256 A N -0.733 122.055 122.820 -0.052 0.000 2.206 256 A HA 0.156 4.477 4.320 0.001 0.000 0.211 256 A C 0.801 178.343 177.584 -0.070 0.000 1.158 256 A CA 0.297 52.300 52.037 -0.056 0.000 0.761 256 A CB -0.060 18.904 19.000 -0.060 0.000 0.801 256 A HN 0.137 nan 8.150 nan 0.000 0.473 257 V N 0.449 120.314 119.914 -0.081 0.000 2.350 257 V HA 0.165 4.286 4.120 0.001 0.000 0.285 257 V C 1.002 177.062 176.094 -0.056 0.000 1.014 257 V CA -0.164 62.087 62.300 -0.081 0.000 0.831 257 V CB 1.092 32.844 31.823 -0.118 0.000 1.000 257 V HN 0.365 nan 8.190 nan 0.000 0.433 258 S N 3.395 119.072 115.700 -0.039 0.000 2.420 258 S HA -0.195 4.275 4.470 0.001 0.000 0.237 258 S C 1.884 176.475 174.600 -0.015 0.000 1.023 258 S CA 1.465 59.651 58.200 -0.023 0.000 0.991 258 S CB -0.207 62.985 63.200 -0.014 0.000 0.792 258 S HN 0.685 nan 8.310 nan 0.000 0.488 259 R N 0.324 120.816 120.500 -0.012 0.000 2.310 259 R HA 0.184 4.524 4.340 0.001 0.000 0.202 259 R C 0.340 176.640 176.300 0.001 0.000 0.933 259 R CA -0.117 55.988 56.100 0.009 0.000 1.054 259 R CB -0.590 29.728 30.300 0.030 0.000 0.985 259 R HN 0.367 nan 8.270 nan 0.000 0.489 260 c N 1.342 119.919 118.600 -0.038 0.000 2.416 260 c HA 0.202 4.772 4.570 0.001 0.000 0.355 260 c C 1.784 175.818 174.090 -0.093 0.000 1.211 260 c CA -0.772 55.518 56.329 -0.066 0.000 1.699 260 c CB -1.310 41.134 42.510 -0.110 0.000 2.310 260 c HN 0.569 nan 8.230 nan 0.000 0.539 261 L N 5.406 126.583 121.223 -0.078 0.000 2.131 261 L HA 0.204 4.545 4.340 0.001 0.000 0.210 261 L C 1.562 178.112 176.870 -0.533 0.000 1.092 261 L CA 1.258 56.031 54.840 -0.110 0.000 0.759 261 L CB -0.747 41.381 42.059 0.114 0.000 0.903 261 L HN 0.929 nan 8.230 nan 0.000 0.435 262 G N -0.846 107.498 108.800 -0.761 0.000 2.315 262 G HA2 0.393 4.354 3.960 0.001 0.000 0.294 262 G HA3 0.393 4.354 3.960 0.001 0.000 0.294 262 G C -1.829 172.632 174.900 -0.732 0.000 1.300 262 G CA -0.768 43.603 45.100 -1.215 0.000 0.843 262 G HN -0.102 nan 8.290 nan 0.000 0.527 263 I N 0.478 120.686 120.570 -0.603 0.000 2.498 263 I HA 0.522 4.692 4.170 0.001 0.000 0.290 263 I C -0.454 175.393 176.117 -0.449 0.000 1.032 263 I CA -0.633 60.404 61.300 -0.438 0.000 1.073 263 I CB 2.688 40.363 38.000 -0.542 0.000 1.251 263 I HN 0.393 nan 8.210 nan 0.000 0.426 264 T N 5.367 119.825 114.554 -0.161 0.000 2.807 264 T HA 0.477 4.827 4.350 0.001 0.000 0.279 264 T C -0.354 174.345 174.700 -0.001 0.000 0.993 264 T CA -0.538 61.526 62.100 -0.062 0.000 0.970 264 T CB 1.725 70.635 68.868 0.068 0.000 0.950 264 T HN 0.363 nan 8.240 nan 0.000 0.441 265 V N 0.960 120.917 119.914 0.072 0.000 2.539 265 V HA 0.488 4.609 4.120 0.001 0.000 0.292 265 V C 0.201 176.438 176.094 0.238 0.000 1.045 265 V CA -1.180 61.268 62.300 0.246 0.000 0.945 265 V CB 1.411 33.493 31.823 0.432 0.000 0.993 265 V HN 1.017 nan 8.190 nan 0.000 0.464 266 W N 4.994 126.330 121.300 0.060 0.000 1.303 266 W HA 0.530 5.191 4.660 0.001 0.000 0.478 266 W C 0.589 177.164 176.519 0.093 0.000 0.604 266 W CA 0.726 58.091 57.345 0.033 0.000 2.319 266 W CB -0.070 29.444 29.460 0.091 0.000 1.443 266 W HN 1.230 nan 8.180 nan 0.000 0.249 267 G N -0.034 108.678 108.800 -0.147 0.000 2.340 267 G HA2 -0.089 3.872 3.960 0.001 0.000 0.527 267 G HA3 -0.089 3.872 3.960 0.001 0.000 0.527 267 G C -0.518 174.379 174.900 -0.005 0.000 1.381 267 G CA -0.646 44.387 45.100 -0.111 0.000 1.001 267 G HN 0.038 nan 8.290 nan 0.000 0.626 268 V N 0.391 120.320 119.914 0.026 0.000 2.398 268 V HA 0.294 4.414 4.120 0.001 0.000 0.236 268 V C 1.575 177.803 176.094 0.223 0.000 1.054 268 V CA 1.534 63.875 62.300 0.068 0.000 1.060 268 V CB -0.496 31.201 31.823 -0.211 0.000 0.707 268 V HN 0.694 nan 8.190 nan 0.000 0.480 269 R N 0.512 121.125 120.500 0.188 0.000 2.643 269 R HA 0.293 4.633 4.340 0.001 0.000 0.272 269 R C 0.677 177.099 176.300 0.204 0.000 0.995 269 R CA -0.648 55.587 56.100 0.226 0.000 1.032 269 R CB 0.758 31.159 30.300 0.169 0.000 1.126 269 R HN 0.167 nan 8.270 nan 0.000 0.505 270 D N 0.606 121.119 120.400 0.188 0.000 2.182 270 D HA -0.151 4.489 4.640 0.001 0.000 0.201 270 D C 1.615 177.992 176.300 0.128 0.000 0.986 270 D CA 2.005 56.100 54.000 0.157 0.000 0.847 270 D CB -0.123 40.752 40.800 0.124 0.000 0.942 270 D HN 0.678 nan 8.370 nan 0.000 0.467 271 T N -1.948 112.673 114.554 0.112 0.000 3.072 271 T HA -0.067 4.284 4.350 0.001 0.000 0.266 271 T C 1.043 175.792 174.700 0.083 0.000 1.127 271 T CA 0.624 62.774 62.100 0.084 0.000 1.107 271 T CB 0.096 69.004 68.868 0.066 0.000 0.910 271 T HN -0.023 nan 8.240 nan 0.000 0.513 272 D N 1.190 121.656 120.400 0.111 0.000 2.360 272 D HA 0.146 4.787 4.640 0.001 0.000 0.210 272 D C 0.758 177.127 176.300 0.115 0.000 1.047 272 D CA 0.100 54.157 54.000 0.095 0.000 0.854 272 D CB 0.279 41.169 40.800 0.151 0.000 0.936 272 D HN 0.425 nan 8.370 nan 0.000 0.514 273 S N 1.249 117.047 115.700 0.165 0.000 2.564 273 S HA 0.032 4.502 4.470 0.001 0.000 0.278 273 S C 1.351 176.133 174.600 0.302 0.000 1.333 273 S CA -0.814 57.544 58.200 0.264 0.000 1.048 273 S CB 0.574 63.930 63.200 0.259 0.000 0.900 273 S HN 0.334 nan 8.310 nan 0.000 0.505 274 W N 5.280 126.651 121.300 0.119 0.000 2.611 274 W HA 0.100 4.761 4.660 0.001 0.000 0.251 274 W C 0.321 176.885 176.519 0.076 0.000 1.265 274 W CA 0.122 57.531 57.345 0.106 0.000 1.295 274 W CB -0.769 28.793 29.460 0.170 0.000 1.129 274 W HN 0.650 nan 8.180 nan 0.000 0.630 275 R N 1.444 121.805 120.500 -0.230 0.000 2.881 275 R HA 0.085 4.425 4.340 0.001 0.000 0.331 275 R C 1.791 178.035 176.300 -0.092 0.000 1.207 275 R CA 0.528 56.417 56.100 -0.351 0.000 1.265 275 R CB 0.328 30.251 30.300 -0.628 0.000 1.351 275 R HN 0.062 nan 8.270 nan 0.000 0.613 276 S N -0.511 115.187 115.700 -0.004 0.000 2.392 276 S HA -0.198 4.273 4.470 0.001 0.000 0.232 276 S C 2.053 176.664 174.600 0.019 0.000 1.041 276 S CA 1.555 59.778 58.200 0.038 0.000 1.026 276 S CB -0.377 62.851 63.200 0.046 0.000 0.845 276 S HN 0.551 nan 8.310 nan 0.000 0.465 277 G N 1.405 110.198 108.800 -0.012 0.000 2.501 277 G HA2 -0.140 3.820 3.960 0.001 0.000 0.220 277 G HA3 -0.140 3.820 3.960 0.001 0.000 0.220 277 G C 0.917 175.815 174.900 -0.003 0.000 1.114 277 G CA 0.968 46.063 45.100 -0.009 0.000 0.757 277 G HN 0.571 nan 8.290 nan 0.000 0.559 278 D N 0.377 120.771 120.400 -0.010 0.000 2.349 278 D HA 0.042 4.683 4.640 0.001 0.000 0.214 278 D C 1.391 177.722 176.300 0.053 0.000 1.063 278 D CA 1.015 55.022 54.000 0.011 0.000 0.847 278 D CB -0.204 40.589 40.800 -0.011 0.000 0.933 278 D HN 0.364 nan 8.370 nan 0.000 0.513 279 T N -0.097 114.495 114.554 0.063 0.000 3.290 279 T HA -0.150 4.200 4.350 0.001 0.000 0.422 279 T C -1.837 172.943 174.700 0.134 0.000 0.771 279 T CA 0.176 62.331 62.100 0.091 0.000 2.100 279 T CB -1.142 67.765 68.868 0.065 0.000 1.676 279 T HN 0.164 nan 8.240 nan 0.000 0.613 280 P HA 0.370 nan 4.420 nan 0.000 0.268 280 P C 0.650 178.182 177.300 0.388 0.000 1.329 280 P CA -0.348 62.906 63.100 0.256 0.000 0.899 280 P CB 0.446 32.279 31.700 0.222 0.000 1.378 281 L N -0.866 120.548 121.223 0.319 0.000 2.687 281 L HA 0.393 4.733 4.340 0.001 0.000 0.252 281 L C 1.910 178.881 176.870 0.169 0.000 1.115 281 L CA -1.052 53.989 54.840 0.335 0.000 0.893 281 L CB 0.421 42.673 42.059 0.321 0.000 1.670 281 L HN -0.278 nan 8.230 nan 0.000 0.531 282 L N -0.718 120.584 121.223 0.131 0.000 2.585 282 L HA 0.230 4.570 4.340 0.001 0.000 0.226 282 L C -0.583 176.106 176.870 -0.303 0.000 1.113 282 L CA 0.256 55.018 54.840 -0.130 0.000 0.876 282 L CB 0.141 42.114 42.059 -0.145 0.000 1.072 282 L HN 0.226 nan 8.230 nan 0.000 0.468 283 F N -0.597 119.400 119.950 0.078 0.000 2.551 283 F HA 0.327 4.854 4.527 0.001 0.000 0.316 283 F C 0.376 176.194 175.800 0.030 0.000 1.089 283 F CA -0.899 57.117 58.000 0.026 0.000 0.915 283 F CB 1.148 40.163 39.000 0.026 0.000 1.186 283 F HN -0.177 nan 8.300 nan 0.000 0.456 284 N N 0.067 118.863 118.700 0.160 0.000 2.424 284 N HA 0.256 4.997 4.740 0.001 0.000 0.257 284 N C 1.188 176.768 175.510 0.116 0.000 1.250 284 N CA 0.130 53.237 53.050 0.096 0.000 0.946 284 N CB 0.800 39.306 38.487 0.032 0.000 1.175 284 N HN 0.876 nan 8.380 nan 0.000 0.477 285 G N 0.364 109.213 108.800 0.083 0.000 2.442 285 G HA2 -0.289 3.671 3.960 0.001 0.000 0.219 285 G HA3 -0.289 3.671 3.960 0.001 0.000 0.219 285 G C 0.860 175.796 174.900 0.061 0.000 1.141 285 G CA 1.049 46.194 45.100 0.075 0.000 0.763 285 G HN 0.832 nan 8.290 nan 0.000 0.554 286 D N -0.349 120.078 120.400 0.046 0.000 2.352 286 D HA 0.210 4.850 4.640 0.001 0.000 0.232 286 D C 1.707 178.029 176.300 0.036 0.000 1.055 286 D CA 0.663 54.681 54.000 0.030 0.000 0.891 286 D CB -0.663 40.145 40.800 0.012 0.000 0.897 286 D HN 0.521 nan 8.370 nan 0.000 0.529 287 G N 0.065 108.906 108.800 0.069 0.000 2.179 287 G HA2 -0.295 3.666 3.960 0.001 0.000 0.260 287 G HA3 -0.295 3.666 3.960 0.001 0.000 0.260 287 G C 0.369 175.358 174.900 0.148 0.000 0.977 287 G CA 0.455 45.604 45.100 0.082 0.000 0.641 287 G HN 0.836 nan 8.290 nan 0.000 0.533 288 S N -0.195 115.560 115.700 0.092 0.000 2.580 288 S HA 0.618 5.088 4.470 0.001 0.000 0.274 288 S C 0.264 174.850 174.600 -0.024 0.000 1.329 288 S CA -0.357 57.857 58.200 0.024 0.000 1.036 288 S CB 1.683 64.857 63.200 -0.043 0.000 0.919 288 S HN 0.450 nan 8.310 nan 0.000 0.515 289 K N 1.852 122.130 120.400 -0.204 0.000 2.350 289 K HA 0.218 4.538 4.320 0.001 0.000 0.279 289 K C 0.132 176.545 176.600 -0.312 0.000 1.027 289 K CA -0.131 55.831 56.287 -0.541 0.000 0.969 289 K CB 0.558 32.617 32.500 -0.736 0.000 0.954 289 K HN 0.562 nan 8.250 nan 0.000 0.474 290 K N 0.736 120.956 120.400 -0.299 0.000 2.177 290 K HA 0.253 4.574 4.320 0.001 0.000 0.238 290 K C 1.131 177.681 176.600 -0.083 0.000 1.015 290 K CA -0.423 55.771 56.287 -0.156 0.000 0.922 290 K CB 0.973 33.396 32.500 -0.129 0.000 1.127 290 K HN 0.605 nan 8.250 nan 0.000 0.469 291 A N 1.034 123.831 122.820 -0.039 0.000 1.917 291 A HA -0.235 4.085 4.320 0.001 0.000 0.219 291 A C 2.179 179.780 177.584 0.030 0.000 1.182 291 A CA 2.401 54.466 52.037 0.047 0.000 0.633 291 A CB -1.066 17.966 19.000 0.054 0.000 0.819 291 A HN 0.787 nan 8.150 nan 0.000 0.448 292 A N -1.567 121.230 122.820 -0.037 0.000 1.933 292 A HA -0.101 4.219 4.320 0.001 0.000 0.218 292 A C 2.081 179.531 177.584 -0.224 0.000 1.175 292 A CA 1.678 53.653 52.037 -0.105 0.000 0.628 292 A CB -0.829 18.061 19.000 -0.184 0.000 0.814 292 A HN 0.786 nan 8.150 nan 0.000 0.444 293 Y N 1.290 121.376 120.300 -0.356 0.000 2.053 293 Y HA -0.266 4.284 4.550 0.001 0.000 0.277 293 Y C 2.600 178.333 175.900 -0.278 0.000 1.159 293 Y CA 2.636 60.485 58.100 -0.419 0.000 1.125 293 Y CB -0.846 37.267 38.460 -0.577 0.000 0.969 293 Y HN 0.290 nan 8.280 nan 0.000 0.492 294 T N 0.793 115.347 114.554 -0.001 0.000 2.833 294 T HA -0.153 4.198 4.350 0.001 0.000 0.269 294 T C 2.037 176.675 174.700 -0.104 0.000 1.054 294 T CA 1.188 63.273 62.100 -0.025 0.000 1.135 294 T CB -0.695 68.218 68.868 0.076 0.000 0.869 294 T HN 0.531 nan 8.240 nan 0.000 0.466 295 A N 0.793 123.572 122.820 -0.069 0.000 1.930 295 A HA -0.002 4.318 4.320 0.001 0.000 0.217 295 A C 2.538 180.071 177.584 -0.084 0.000 1.175 295 A CA 1.088 53.109 52.037 -0.027 0.000 0.627 295 A CB -0.783 18.244 19.000 0.045 0.000 0.815 295 A HN 0.368 nan 8.150 nan 0.000 0.443 296 V N -0.438 119.364 119.914 -0.187 0.000 2.379 296 V HA -0.184 3.937 4.120 0.001 0.000 0.245 296 V C 2.457 178.383 176.094 -0.281 0.000 1.044 296 V CA 1.774 63.952 62.300 -0.203 0.000 1.036 296 V CB -0.679 30.955 31.823 -0.315 0.000 0.664 296 V HN 0.573 nan 8.190 nan 0.000 0.453 297 L N 0.863 121.822 121.223 -0.441 0.000 2.046 297 L HA -0.156 4.184 4.340 0.001 0.000 0.208 297 L C 2.193 178.954 176.870 -0.182 0.000 1.077 297 L CA 1.971 56.587 54.840 -0.373 0.000 0.747 297 L CB -0.882 40.923 42.059 -0.424 0.000 0.896 297 L HN 0.310 nan 8.230 nan 0.000 0.432 298 N N 0.038 118.659 118.700 -0.133 0.000 2.120 298 N HA -0.127 4.613 4.740 0.001 0.000 0.188 298 N C 1.831 177.310 175.510 -0.052 0.000 1.024 298 N CA 1.532 54.539 53.050 -0.071 0.000 0.852 298 N CB -0.506 37.953 38.487 -0.047 0.000 1.003 298 N HN 0.527 nan 8.380 nan 0.000 0.424 299 A N 1.205 123.996 122.820 -0.050 0.000 1.877 299 A HA -0.036 4.285 4.320 0.001 0.000 0.216 299 A C 2.359 179.932 177.584 -0.019 0.000 1.186 299 A CA 0.890 52.915 52.037 -0.021 0.000 0.620 299 A CB -0.775 18.224 19.000 -0.000 0.000 0.822 299 A HN 0.216 nan 8.150 nan 0.000 0.443 300 L N -0.146 121.056 121.223 -0.035 0.000 2.131 300 L HA -0.161 4.179 4.340 0.001 0.000 0.210 300 L C 1.412 178.267 176.870 -0.024 0.000 1.092 300 L CA 0.968 55.796 54.840 -0.020 0.000 0.759 300 L CB -0.508 41.526 42.059 -0.041 0.000 0.903 300 L HN 0.367 nan 8.230 nan 0.000 0.435 301 N N 0.171 118.848 118.700 -0.039 0.000 2.449 301 N HA 0.034 4.774 4.740 0.001 0.000 0.191 301 N C 1.193 176.691 175.510 -0.020 0.000 1.161 301 N CA 0.970 54.002 53.050 -0.029 0.000 0.863 301 N CB 0.754 39.219 38.487 -0.036 0.000 0.980 301 N HN 0.428 nan 8.380 nan 0.000 0.458 302 G N -0.439 108.352 108.800 -0.017 0.000 2.134 302 G HA2 -0.145 3.815 3.960 0.001 0.000 0.209 302 G HA3 -0.145 3.815 3.960 0.001 0.000 0.209 302 G C 0.723 175.616 174.900 -0.012 0.000 0.993 302 G CA 0.258 45.351 45.100 -0.012 0.000 0.669 302 G HN 0.698 nan 8.290 nan 0.000 0.519 303 G N -0.848 107.944 108.800 -0.015 0.000 2.556 303 G HA2 0.090 4.051 3.960 0.001 0.000 0.283 303 G HA3 0.090 4.051 3.960 0.001 0.000 0.283 303 G C 0.291 175.183 174.900 -0.013 0.000 1.177 303 G CA 0.697 45.790 45.100 -0.012 0.000 0.978 303 G HN 1.859 nan 8.290 nan 0.000 0.554 304 S N -1.067 114.628 115.700 -0.009 0.000 2.634 304 S HA 0.659 5.130 4.470 0.001 0.000 0.296 304 S C 0.911 175.507 174.600 -0.007 0.000 1.104 304 S CA 0.282 58.476 58.200 -0.009 0.000 0.920 304 S CB 2.010 65.205 63.200 -0.009 0.000 1.111 304 S HN 0.989 nan 8.310 nan 0.000 0.493 305 S N 1.402 117.098 115.700 -0.007 0.000 2.507 305 S HA 0.022 4.492 4.470 0.001 0.000 0.235 305 S C 0.855 175.453 174.600 -0.004 0.000 0.988 305 S CA 0.921 59.117 58.200 -0.006 0.000 0.944 305 S CB -0.286 62.909 63.200 -0.007 0.000 0.762 305 S HN 0.897 nan 8.310 nan 0.000 0.526 306 T N -0.913 113.639 114.554 -0.003 0.000 2.900 306 T HA 0.520 4.870 4.350 0.001 0.000 0.303 306 T C -3.462 171.239 174.700 0.002 0.000 1.142 306 T CA -2.292 59.808 62.100 -0.000 0.000 1.007 306 T CB 1.281 70.150 68.868 0.001 0.000 1.156 306 T HN -0.316 nan 8.240 nan 0.000 0.490 307 P HA 0.237 nan 4.420 nan 0.000 0.261 307 P C -2.275 175.031 177.300 0.010 0.000 1.173 307 P CA -0.392 62.713 63.100 0.008 0.000 0.760 307 P CB -0.516 31.189 31.700 0.009 0.000 0.783 308 P HA 0.123 nan 4.420 nan 0.000 0.271 308 P C -2.224 175.092 177.300 0.026 0.000 1.244 308 P CA -0.962 62.148 63.100 0.018 0.000 0.793 308 P CB -0.740 30.974 31.700 0.024 0.000 0.984 309 P HA 0.035 nan 4.420 nan 0.000 0.276 309 P C -0.304 177.030 177.300 0.057 0.000 1.243 309 P CA 0.107 63.234 63.100 0.044 0.000 0.768 309 P CB 0.610 32.339 31.700 0.048 0.000 0.856 310 S N 2.939 118.666 115.700 0.046 0.000 2.849 310 S HA 0.400 4.870 4.470 0.001 0.000 0.244 310 S C 0.715 175.342 174.600 0.046 0.000 1.297 310 S CA 0.201 58.427 58.200 0.043 0.000 1.241 310 S CB -1.751 61.467 63.200 0.031 0.000 0.958 310 S HN 0.905 nan 8.310 nan 0.000 0.489 311 G N 0.798 109.635 108.800 0.063 0.000 3.168 311 G HA2 0.308 4.269 3.960 0.001 0.000 0.268 311 G HA3 0.308 4.269 3.960 0.001 0.000 0.268 311 G C 0.352 175.280 174.900 0.046 0.000 0.800 311 G CA -0.255 44.882 45.100 0.062 0.000 0.765 311 G HN 1.721 nan 8.290 nan 0.000 0.368 312 G N 0.011 108.844 108.800 0.055 0.000 3.445 312 G HA2 0.636 4.596 3.960 0.001 0.000 0.686 312 G HA3 0.636 4.596 3.960 0.001 0.000 0.686 312 G C 0.923 175.843 174.900 0.035 0.000 1.113 312 G CA 0.775 45.893 45.100 0.030 0.000 0.974 312 G HN 2.976 nan 8.290 nan 0.000 0.492 313 G N 0.796 109.624 108.800 0.046 0.000 2.316 313 G HA2 0.652 4.612 3.960 0.001 0.000 0.296 313 G HA3 0.652 4.612 3.960 0.001 0.000 0.296 313 G C -0.617 174.346 174.900 0.105 0.000 1.399 313 G CA -0.440 44.692 45.100 0.054 0.000 0.833 313 G HN 0.792 nan 8.290 nan 0.000 0.565 314 Q N -0.965 118.892 119.800 0.095 0.000 2.312 314 Q HA 0.630 4.970 4.340 0.001 0.000 0.236 314 Q C -0.313 175.757 176.000 0.115 0.000 0.965 314 Q CA -0.126 55.762 55.803 0.142 0.000 0.894 314 Q CB 1.820 30.621 28.738 0.105 0.000 1.225 314 Q HN 0.419 nan 8.270 nan 0.000 0.478 315 I N 1.865 122.498 120.570 0.105 0.000 2.466 315 I HA 0.251 4.422 4.170 0.001 0.000 0.279 315 I C -0.618 175.590 176.117 0.152 0.000 1.033 315 I CA -0.457 60.854 61.300 0.018 0.000 1.123 315 I CB 1.302 39.131 38.000 -0.285 0.000 1.237 315 I HN 0.370 nan 8.210 nan 0.000 0.460 316 K N 4.686 125.207 120.400 0.202 0.000 2.201 316 K HA 0.550 4.871 4.320 0.001 0.000 0.278 316 K C 0.344 177.099 176.600 0.259 0.000 1.027 316 K CA -0.397 56.021 56.287 0.218 0.000 0.909 316 K CB 1.383 33.950 32.500 0.113 0.000 1.062 316 K HN 0.671 nan 8.250 nan 0.000 0.465 317 G N 2.254 111.163 108.800 0.182 0.000 2.406 317 G HA2 0.101 4.062 3.960 0.001 0.000 0.251 317 G HA3 0.101 4.062 3.960 0.001 0.000 0.251 317 G C 0.904 175.656 174.900 -0.247 0.000 1.271 317 G CA -0.722 44.200 45.100 -0.296 0.000 0.859 317 G HN 0.520 nan 8.290 nan 0.000 0.540 318 V N 3.484 123.186 119.914 -0.354 0.000 2.270 318 V HA -0.113 4.008 4.120 0.001 0.000 0.245 318 V C 2.999 178.979 176.094 -0.190 0.000 1.043 318 V CA 2.526 64.695 62.300 -0.220 0.000 1.014 318 V CB -0.973 30.716 31.823 -0.224 0.000 0.645 318 V HN 0.805 nan 8.190 nan 0.000 0.447 319 G N -0.306 108.350 108.800 -0.240 0.000 2.422 319 G HA2 -0.218 3.742 3.960 0.001 0.000 0.218 319 G HA3 -0.218 3.742 3.960 0.001 0.000 0.218 319 G C 1.812 176.630 174.900 -0.136 0.000 1.140 319 G CA 1.356 46.352 45.100 -0.175 0.000 0.775 319 G HN 0.643 nan 8.290 nan 0.000 0.545 320 S N -1.128 114.485 115.700 -0.146 0.000 2.475 320 S HA 0.356 4.826 4.470 0.001 0.000 0.224 320 S C 1.970 176.532 174.600 -0.064 0.000 1.042 320 S CA 1.131 59.275 58.200 -0.093 0.000 0.935 320 S CB -0.006 63.148 63.200 -0.077 0.000 0.801 320 S HN 1.502 nan 8.310 nan 0.000 0.509 321 G N 1.458 110.222 108.800 -0.061 0.000 2.148 321 G HA2 -0.251 3.709 3.960 0.001 0.000 0.254 321 G HA3 -0.251 3.709 3.960 0.001 0.000 0.254 321 G C 0.088 174.990 174.900 0.003 0.000 0.981 321 G CA 0.287 45.370 45.100 -0.028 0.000 0.670 321 G HN 0.623 nan 8.290 nan 0.000 0.528 322 R N -1.249 119.263 120.500 0.019 0.000 2.828 322 R HA 0.671 5.012 4.340 0.001 0.000 0.264 322 R C -0.064 176.322 176.300 0.144 0.000 1.022 322 R CA -0.422 55.715 56.100 0.063 0.000 1.021 322 R CB 1.382 31.703 30.300 0.036 0.000 1.163 322 R HN 0.204 nan 8.270 nan 0.000 0.494 323 c N 1.401 120.110 118.600 0.182 0.000 2.351 323 c HA 0.331 4.901 4.570 0.001 0.000 0.359 323 c C -0.061 174.170 174.090 0.235 0.000 1.193 323 c CA -0.711 55.749 56.329 0.218 0.000 2.270 323 c CB 0.651 43.287 42.510 0.210 0.000 2.369 323 c HN 0.577 nan 8.230 nan 0.000 0.553 324 L N 3.724 125.048 121.223 0.167 0.000 2.500 324 L HA 0.244 4.585 4.340 0.001 0.000 0.272 324 L C 0.075 177.146 176.870 0.335 0.000 1.149 324 L CA 1.169 56.053 54.840 0.074 0.000 0.897 324 L CB -0.346 41.476 42.059 -0.395 0.000 1.178 324 L HN 0.661 nan 8.230 nan 0.000 0.473 325 D N 3.898 124.470 120.400 0.287 0.000 2.780 325 D HA 0.241 4.882 4.640 0.001 0.000 0.242 325 D C -1.280 175.152 176.300 0.219 0.000 1.135 325 D CA -0.455 53.706 54.000 0.268 0.000 0.859 325 D CB 2.310 43.263 40.800 0.255 0.000 1.530 325 D HN 0.185 nan 8.370 nan 0.000 0.493 326 V N 4.860 124.866 119.914 0.155 0.000 2.368 326 V HA 0.254 4.374 4.120 0.001 0.000 0.266 326 V C -2.017 174.135 176.094 0.096 0.000 1.045 326 V CA -1.523 60.860 62.300 0.138 0.000 0.899 326 V CB 0.940 32.821 31.823 0.097 0.000 1.006 326 V HN 0.487 nan 8.190 nan 0.000 0.470 327 P HA -0.044 nan 4.420 nan 0.000 0.257 327 P C 0.515 177.824 177.300 0.014 0.000 1.162 327 P CA 0.673 63.786 63.100 0.023 0.000 0.762 327 P CB 0.035 31.761 31.700 0.043 0.000 0.753 328 N N 2.812 121.490 118.700 -0.037 0.000 2.693 328 N HA -0.295 4.445 4.740 0.001 0.000 0.249 328 N C 0.403 175.916 175.510 0.006 0.000 1.119 328 N CA 1.333 54.367 53.050 -0.026 0.000 0.717 328 N CB -1.705 36.770 38.487 -0.021 0.000 1.071 328 N HN 0.715 nan 8.380 nan 0.000 0.555 329 A N -1.328 121.523 122.820 0.053 0.000 2.799 329 A HA -0.264 4.056 4.320 0.001 0.000 0.287 329 A C 0.795 178.392 177.584 0.022 0.000 1.484 329 A CA 1.493 53.601 52.037 0.118 0.000 0.813 329 A CB -1.895 17.143 19.000 0.064 0.000 1.009 329 A HN 0.966 nan 8.150 nan 0.000 0.545 330 S N -0.571 115.157 115.700 0.047 0.000 2.579 330 S HA 0.468 4.938 4.470 0.001 0.000 0.275 330 S C 1.387 175.953 174.600 -0.058 0.000 1.345 330 S CA 0.889 59.079 58.200 -0.017 0.000 1.031 330 S CB 0.627 63.845 63.200 0.031 0.000 0.892 330 S HN 1.595 nan 8.310 nan 0.000 0.529 331 T N 0.164 114.627 114.554 -0.151 0.000 3.084 331 T HA 0.245 4.595 4.350 0.001 0.000 0.270 331 T C 0.221 174.901 174.700 -0.033 0.000 1.008 331 T CA -0.373 61.623 62.100 -0.173 0.000 0.900 331 T CB -0.300 68.358 68.868 -0.349 0.000 1.084 331 T HN 0.506 nan 8.240 nan 0.000 0.538 332 T N 3.829 118.383 114.554 0.001 0.000 2.834 332 T HA 0.178 4.529 4.350 0.001 0.000 0.298 332 T C -0.141 174.604 174.700 0.074 0.000 0.966 332 T CA -0.286 61.829 62.100 0.024 0.000 1.141 332 T CB 0.414 69.298 68.868 0.027 0.000 0.905 332 T HN 0.303 nan 8.240 nan 0.000 0.535 333 D N 2.224 122.665 120.400 0.068 0.000 2.455 333 D HA 0.297 4.937 4.640 0.001 0.000 0.241 333 D C 1.404 177.820 176.300 0.194 0.000 1.138 333 D CA 1.151 55.239 54.000 0.146 0.000 0.877 333 D CB 0.863 41.719 40.800 0.093 0.000 1.187 333 D HN 0.896 nan 8.370 nan 0.000 0.451 334 G N 1.966 110.911 108.800 0.243 0.000 2.195 334 G HA2 -0.252 3.708 3.960 0.001 0.000 0.224 334 G HA3 -0.252 3.708 3.960 0.001 0.000 0.224 334 G C 0.497 175.483 174.900 0.143 0.000 0.990 334 G CA 0.063 45.272 45.100 0.183 0.000 0.639 334 G HN 0.551 nan 8.290 nan 0.000 0.514 335 T N 1.747 116.388 114.554 0.145 0.000 2.817 335 T HA 0.405 4.755 4.350 0.001 0.000 0.295 335 T C 0.411 175.192 174.700 0.136 0.000 0.958 335 T CA 0.476 62.651 62.100 0.126 0.000 1.157 335 T CB 1.439 70.383 68.868 0.127 0.000 0.898 335 T HN 0.545 nan 8.240 nan 0.000 0.536 336 Q N 3.132 122.999 119.800 0.113 0.000 2.314 336 Q HA 0.390 4.731 4.340 0.001 0.000 0.258 336 Q C 0.141 176.207 176.000 0.110 0.000 0.954 336 Q CA -0.799 55.068 55.803 0.107 0.000 0.890 336 Q CB 0.708 29.500 28.738 0.089 0.000 1.210 336 Q HN 0.657 nan 8.270 nan 0.000 0.410 337 V N 1.557 121.533 119.914 0.102 0.000 2.953 337 V HA 0.422 4.542 4.120 0.001 0.000 0.304 337 V C -0.448 175.702 176.094 0.092 0.000 1.073 337 V CA -0.321 62.044 62.300 0.109 0.000 1.064 337 V CB 1.198 33.064 31.823 0.072 0.000 1.047 337 V HN 1.004 nan 8.190 nan 0.000 0.478 338 Q N 2.670 122.542 119.800 0.120 0.000 2.882 338 Q HA 0.726 5.066 4.340 0.001 0.000 0.315 338 Q C -1.437 174.667 176.000 0.173 0.000 1.004 338 Q CA -1.170 54.716 55.803 0.138 0.000 0.777 338 Q CB 2.241 31.072 28.738 0.155 0.000 1.506 338 Q HN 0.696 nan 8.270 nan 0.000 0.489 339 L N 0.792 122.129 121.223 0.191 0.000 2.334 339 L HA 0.669 5.009 4.340 0.001 0.000 0.275 339 L C -1.250 175.781 176.870 0.268 0.000 1.036 339 L CA -0.898 54.067 54.840 0.208 0.000 0.807 339 L CB 1.144 43.294 42.059 0.151 0.000 1.231 339 L HN 0.659 nan 8.230 nan 0.000 0.438 340 Y N 0.458 120.826 120.300 0.113 0.000 2.565 340 Y HA 0.165 4.715 4.550 0.001 0.000 0.330 340 Y C -0.796 175.166 175.900 0.103 0.000 1.150 340 Y CA -1.163 56.995 58.100 0.096 0.000 1.055 340 Y CB 1.520 40.047 38.460 0.113 0.000 1.337 340 Y HN 0.570 nan 8.280 nan 0.000 0.457 341 D N 2.925 123.115 120.400 -0.349 0.000 2.648 341 D HA -0.045 4.596 4.640 0.001 0.000 0.229 341 D C -0.149 176.269 176.300 0.197 0.000 1.119 341 D CA 0.891 54.824 54.000 -0.111 0.000 0.850 341 D CB 0.431 41.084 40.800 -0.244 0.000 1.169 341 D HN 0.479 nan 8.370 nan 0.000 0.489 342 c N 4.458 123.166 118.600 0.181 0.000 2.637 342 c HA 0.298 4.868 4.570 0.001 0.000 0.418 342 c C 0.622 174.908 174.090 0.326 0.000 1.319 342 c CA -0.215 56.267 56.329 0.255 0.000 1.949 342 c CB -0.760 41.840 42.510 0.150 0.000 2.639 342 c HN 0.729 nan 8.230 nan 0.000 0.594 343 H N -0.606 118.524 119.070 0.101 0.000 3.003 343 H HA 0.353 4.910 4.556 0.001 0.000 0.327 343 H C -0.868 174.495 175.328 0.058 0.000 1.353 343 H CA -0.682 55.413 56.048 0.078 0.000 1.142 343 H CB 0.639 30.457 29.762 0.094 0.000 1.864 343 H HN 0.513 nan 8.280 nan 0.000 0.529 344 S N 0.976 116.658 115.700 -0.029 0.000 2.503 344 S HA 0.630 5.100 4.470 0.001 0.000 0.317 344 S C 0.029 174.502 174.600 -0.211 0.000 1.162 344 S CA 0.002 58.141 58.200 -0.102 0.000 1.124 344 S CB -0.961 62.230 63.200 -0.015 0.000 1.207 344 S HN 0.985 nan 8.310 nan 0.000 0.538 345 A N 3.059 125.682 122.820 -0.328 0.000 2.540 345 A HA 0.637 4.958 4.320 0.001 0.000 0.297 345 A C 0.871 178.325 177.584 -0.216 0.000 1.056 345 A CA -0.339 51.526 52.037 -0.287 0.000 0.700 345 A CB 0.574 19.281 19.000 -0.489 0.000 1.280 345 A HN 0.978 nan 8.150 nan 0.000 0.398 346 T N -0.285 114.193 114.554 -0.126 0.000 2.849 346 T HA -0.181 4.170 4.350 0.001 0.000 0.270 346 T C 1.107 175.646 174.700 -0.269 0.000 1.066 346 T CA 1.791 63.809 62.100 -0.135 0.000 1.130 346 T CB -0.588 68.275 68.868 -0.007 0.000 0.864 346 T HN 0.833 nan 8.240 nan 0.000 0.481 347 N N 1.035 119.628 118.700 -0.179 0.000 2.515 347 N HA -0.058 4.683 4.740 0.001 0.000 0.191 347 N C 1.194 176.496 175.510 -0.345 0.000 1.182 347 N CA 0.308 53.187 53.050 -0.285 0.000 0.879 347 N CB -0.193 38.296 38.487 0.005 0.000 0.984 347 N HN 0.619 nan 8.380 nan 0.000 0.453 348 Q N -0.690 118.918 119.800 -0.320 0.000 2.140 348 Q HA 0.169 4.510 4.340 0.001 0.000 0.227 348 Q C -0.519 175.360 176.000 -0.201 0.000 0.798 348 Q CA -0.180 55.537 55.803 -0.144 0.000 0.987 348 Q CB 0.824 29.534 28.738 -0.046 0.000 1.161 348 Q HN 0.278 nan 8.270 nan 0.000 0.480 349 Q N 0.272 119.822 119.800 -0.417 0.000 2.390 349 Q HA 0.169 4.510 4.340 0.001 0.000 0.249 349 Q C -1.195 174.532 176.000 -0.455 0.000 0.996 349 Q CA 0.265 55.895 55.803 -0.289 0.000 0.899 349 Q CB 0.238 28.849 28.738 -0.212 0.000 1.216 349 Q HN 0.114 nan 8.270 nan 0.000 0.465 350 W N 1.293 122.522 121.300 -0.118 0.000 2.520 350 W HA 0.390 5.050 4.660 0.001 0.000 0.323 350 W C 0.146 176.632 176.519 -0.055 0.000 1.062 350 W CA -0.523 56.753 57.345 -0.115 0.000 1.215 350 W CB 1.480 30.851 29.460 -0.149 0.000 1.340 350 W HN 0.158 nan 8.180 nan 0.000 0.516 351 T N 3.122 117.777 114.554 0.169 0.000 2.770 351 T HA 0.153 4.503 4.350 0.001 0.000 0.283 351 T C -1.388 173.434 174.700 0.204 0.000 0.988 351 T CA -0.457 61.726 62.100 0.139 0.000 0.957 351 T CB 0.280 69.185 68.868 0.062 0.000 0.930 351 T HN 0.165 nan 8.240 nan 0.000 0.443 352 Y N 4.459 124.795 120.300 0.061 0.000 2.404 352 Y HA 0.391 4.941 4.550 0.001 0.000 0.344 352 Y C 0.958 176.889 175.900 0.051 0.000 0.995 352 Y CA -0.940 57.193 58.100 0.055 0.000 1.201 352 Y CB 0.182 38.662 38.460 0.034 0.000 1.151 352 Y HN 0.707 nan 8.280 nan 0.000 0.517 353 T N 1.045 115.426 114.554 -0.288 0.000 2.874 353 T HA 0.167 4.517 4.350 0.001 0.000 0.281 353 T C 0.791 175.238 174.700 -0.422 0.000 0.994 353 T CA -0.623 61.326 62.100 -0.251 0.000 1.015 353 T CB 0.966 69.751 68.868 -0.138 0.000 1.028 353 T HN 0.584 nan 8.240 nan 0.000 0.523 354 D N 0.863 121.135 120.400 -0.213 0.000 2.218 354 D HA -0.019 4.622 4.640 0.001 0.000 0.204 354 D C 2.102 178.303 176.300 -0.167 0.000 0.976 354 D CA 1.379 55.281 54.000 -0.163 0.000 0.853 354 D CB -0.528 40.234 40.800 -0.064 0.000 0.939 354 D HN 0.762 nan 8.370 nan 0.000 0.481 355 A N -0.289 122.433 122.820 -0.163 0.000 2.206 355 A HA 0.346 4.666 4.320 0.001 0.000 0.211 355 A C 1.806 179.291 177.584 -0.165 0.000 1.158 355 A CA 1.262 53.226 52.037 -0.122 0.000 0.761 355 A CB -0.099 18.849 19.000 -0.088 0.000 0.801 355 A HN 0.272 nan 8.150 nan 0.000 0.473 356 G N -0.850 107.755 108.800 -0.325 0.000 2.159 356 G HA2 -0.180 3.780 3.960 0.001 0.000 0.227 356 G HA3 -0.180 3.780 3.960 0.001 0.000 0.227 356 G C -0.191 174.688 174.900 -0.036 0.000 0.986 356 G CA 0.151 45.085 45.100 -0.278 0.000 0.651 356 G HN 0.607 nan 8.290 nan 0.000 0.523 357 E N -0.488 119.667 120.200 -0.075 0.000 2.318 357 E HA 0.635 4.985 4.350 0.001 0.000 0.265 357 E C -0.048 176.687 176.600 0.224 0.000 1.069 357 E CA -0.550 55.938 56.400 0.145 0.000 0.893 357 E CB 1.405 31.146 29.700 0.069 0.000 1.076 357 E HN 0.204 nan 8.360 nan 0.000 0.414 358 L N 2.881 124.287 121.223 0.304 0.000 2.337 358 L HA 0.342 4.683 4.340 0.001 0.000 0.269 358 L C -0.103 176.975 176.870 0.347 0.000 1.018 358 L CA -0.324 54.678 54.840 0.269 0.000 0.876 358 L CB 0.609 42.651 42.059 -0.028 0.000 1.236 358 L HN 0.276 nan 8.230 nan 0.000 0.436 359 R N 1.836 122.482 120.500 0.243 0.000 2.457 359 R HA 0.659 4.999 4.340 0.001 0.000 0.284 359 R C -0.829 175.431 176.300 -0.066 0.000 1.024 359 R CA -0.576 55.597 56.100 0.123 0.000 1.025 359 R CB 2.622 32.958 30.300 0.061 0.000 1.063 359 R HN 0.255 nan 8.270 nan 0.000 0.493 360 V N 3.631 123.370 119.914 -0.292 0.000 2.841 360 V HA 0.231 4.351 4.120 0.001 0.000 0.310 360 V C -1.017 174.794 176.094 -0.471 0.000 1.090 360 V CA -0.431 61.418 62.300 -0.751 0.000 0.930 360 V CB 1.232 32.119 31.823 -1.560 0.000 1.014 360 V HN 0.920 nan 8.190 nan 0.000 0.425 361 Y N 4.016 124.175 120.300 -0.235 0.000 4.881 361 Y HA -0.227 4.323 4.550 0.001 0.000 0.241 361 Y C 1.695 177.538 175.900 -0.095 0.000 0.985 361 Y CA 1.525 59.536 58.100 -0.149 0.000 1.976 361 Y CB -1.959 36.424 38.460 -0.129 0.000 1.528 361 Y HN 1.717 nan 8.280 nan 0.000 0.581 362 G N -0.633 108.178 108.800 0.018 0.000 2.383 362 G HA2 -0.369 3.591 3.960 0.001 0.000 0.229 362 G HA3 -0.369 3.591 3.960 0.001 0.000 0.229 362 G C 0.453 175.374 174.900 0.036 0.000 1.089 362 G CA 0.677 45.790 45.100 0.021 0.000 0.640 362 G HN 0.526 nan 8.290 nan 0.000 0.510 363 D N 0.203 120.641 120.400 0.062 0.000 2.673 363 D HA 0.315 4.956 4.640 0.001 0.000 0.278 363 D C 0.150 176.502 176.300 0.085 0.000 1.393 363 D CA -0.077 53.960 54.000 0.063 0.000 0.805 363 D CB 0.137 40.965 40.800 0.045 0.000 1.110 363 D HN 0.184 nan 8.370 nan 0.000 0.476 364 K N -0.009 120.454 120.400 0.105 0.000 2.259 364 K HA 0.546 4.866 4.320 0.001 0.000 0.252 364 K C -0.926 175.761 176.600 0.145 0.000 0.936 364 K CA -0.578 55.792 56.287 0.138 0.000 0.810 364 K CB 1.813 34.439 32.500 0.210 0.000 1.143 364 K HN -0.006 nan 8.250 nan 0.000 0.427 365 c N 2.175 120.906 118.600 0.218 0.000 2.455 365 c HA 0.355 4.925 4.570 0.001 0.000 0.320 365 c C -0.168 174.128 174.090 0.344 0.000 1.226 365 c CA -0.996 55.496 56.329 0.272 0.000 1.569 365 c CB 0.969 43.627 42.510 0.247 0.000 2.200 365 c HN 0.747 nan 8.230 nan 0.000 0.491 366 L N 4.259 125.696 121.223 0.357 0.000 2.584 366 L HA 0.203 4.543 4.340 0.001 0.000 0.272 366 L C 0.125 177.245 176.870 0.418 0.000 1.195 366 L CA 1.392 56.363 54.840 0.218 0.000 0.920 366 L CB -0.127 41.744 42.059 -0.313 0.000 1.173 366 L HN 0.661 nan 8.230 nan 0.000 0.489 367 D N 4.370 124.990 120.400 0.368 0.000 2.646 367 D HA 0.531 5.172 4.640 0.001 0.000 0.245 367 D C -1.329 175.163 176.300 0.320 0.000 1.099 367 D CA -0.496 53.726 54.000 0.371 0.000 0.849 367 D CB 2.098 43.098 40.800 0.334 0.000 1.448 367 D HN 0.663 nan 8.370 nan 0.000 0.489 368 A N 2.398 125.381 122.820 0.271 0.000 2.260 368 A HA 0.606 4.926 4.320 0.001 0.000 0.314 368 A C 0.134 177.768 177.584 0.083 0.000 1.257 368 A CA -0.511 51.639 52.037 0.188 0.000 0.871 368 A CB 0.988 20.064 19.000 0.127 0.000 1.166 368 A HN 0.530 nan 8.150 nan 0.000 0.522 369 A N 2.791 125.654 122.820 0.071 0.000 3.168 369 A HA 0.610 4.931 4.320 0.001 0.000 0.260 369 A C 0.883 178.480 177.584 0.022 0.000 1.598 369 A CA 0.508 52.561 52.037 0.027 0.000 1.285 369 A CB -1.140 17.876 19.000 0.027 0.000 1.149 369 A HN 2.531 nan 8.150 nan 0.000 0.630 370 G N -0.760 108.048 108.800 0.014 0.000 2.359 370 G HA2 0.288 4.249 3.960 0.001 0.000 0.303 370 G HA3 0.288 4.249 3.960 0.001 0.000 0.303 370 G C 0.165 175.062 174.900 -0.005 0.000 1.293 370 G CA 0.331 45.434 45.100 0.005 0.000 0.964 370 G HN 1.108 nan 8.290 nan 0.000 0.531 371 T N -2.410 112.136 114.554 -0.014 0.000 3.043 371 T HA 0.585 4.935 4.350 0.001 0.000 0.272 371 T C 1.104 175.783 174.700 -0.034 0.000 0.990 371 T CA 1.269 63.350 62.100 -0.030 0.000 0.897 371 T CB 0.713 69.557 68.868 -0.039 0.000 1.111 371 T HN 1.770 nan 8.240 nan 0.000 0.529 372 G N 1.150 109.934 108.800 -0.027 0.000 2.488 372 G HA2 0.510 4.471 3.960 0.001 0.000 0.318 372 G HA3 0.510 4.471 3.960 0.001 0.000 0.318 372 G C -0.480 174.384 174.900 -0.059 0.000 1.188 372 G CA -0.838 44.233 45.100 -0.049 0.000 0.944 372 G HN 0.202 nan 8.290 nan 0.000 0.495 373 N N -0.355 118.262 118.700 -0.138 0.000 2.353 373 N HA 0.224 4.965 4.740 0.001 0.000 0.248 373 N C 1.370 176.881 175.510 0.003 0.000 1.240 373 N CA 1.534 54.458 53.050 -0.210 0.000 0.862 373 N CB 1.055 39.225 38.487 -0.529 0.000 1.086 373 N HN 1.158 nan 8.380 nan 0.000 0.453 374 G N 0.760 109.645 108.800 0.140 0.000 2.176 374 G HA2 -0.298 3.663 3.960 0.001 0.000 0.253 374 G HA3 -0.298 3.663 3.960 0.001 0.000 0.253 374 G C 0.296 175.259 174.900 0.105 0.000 0.979 374 G CA 0.484 45.677 45.100 0.155 0.000 0.641 374 G HN 0.645 nan 8.290 nan 0.000 0.530 375 T N 1.426 116.030 114.554 0.083 0.000 2.934 375 T HA 0.306 4.657 4.350 0.001 0.000 0.306 375 T C 0.697 175.454 174.700 0.096 0.000 1.042 375 T CA 0.821 62.966 62.100 0.075 0.000 1.145 375 T CB 1.008 69.914 68.868 0.063 0.000 0.982 375 T HN 0.534 nan 8.240 nan 0.000 0.544 376 K N 2.983 123.434 120.400 0.085 0.000 2.368 376 K HA 0.268 4.588 4.320 0.001 0.000 0.282 376 K C -0.902 175.762 176.600 0.108 0.000 1.035 376 K CA -0.459 55.883 56.287 0.090 0.000 0.973 376 K CB 0.425 32.972 32.500 0.079 0.000 0.957 376 K HN 0.297 nan 8.250 nan 0.000 0.474 377 V N 5.849 125.824 119.914 0.101 0.000 2.398 377 V HA 0.223 4.343 4.120 0.001 0.000 0.286 377 V C -0.096 176.051 176.094 0.088 0.000 1.026 377 V CA -0.365 61.994 62.300 0.099 0.000 0.868 377 V CB 1.063 32.899 31.823 0.020 0.000 0.982 377 V HN 1.000 nan 8.190 nan 0.000 0.443 378 Q N 5.175 125.054 119.800 0.131 0.000 2.943 378 Q HA 0.741 5.081 4.340 0.001 0.000 0.341 378 Q C -0.950 175.184 176.000 0.223 0.000 0.858 378 Q CA -1.101 54.799 55.803 0.162 0.000 0.804 378 Q CB 2.516 31.355 28.738 0.167 0.000 1.399 378 Q HN 0.638 nan 8.270 nan 0.000 0.511 379 I N -1.903 118.820 120.570 0.255 0.000 2.493 379 I HA 0.783 4.953 4.170 0.001 0.000 0.298 379 I C -1.449 174.878 176.117 0.349 0.000 0.998 379 I CA -1.015 60.463 61.300 0.296 0.000 1.137 379 I CB 1.590 39.749 38.000 0.264 0.000 1.310 379 I HN 0.708 nan 8.210 nan 0.000 0.445 380 Y N 2.811 123.232 120.300 0.203 0.000 2.581 380 Y HA 0.437 4.987 4.550 0.001 0.000 0.337 380 Y C -0.343 175.685 175.900 0.213 0.000 1.108 380 Y CA -0.753 57.464 58.100 0.196 0.000 1.033 380 Y CB 2.182 40.776 38.460 0.224 0.000 1.318 380 Y HN 0.782 nan 8.280 nan 0.000 0.459 381 S N 2.352 117.820 115.700 -0.386 0.000 2.593 381 S HA -0.018 4.453 4.470 0.001 0.000 0.300 381 S C -0.375 174.340 174.600 0.192 0.000 1.267 381 S CA 0.008 58.113 58.200 -0.159 0.000 1.065 381 S CB -0.464 62.530 63.200 -0.344 0.000 0.807 381 S HN 0.631 nan 8.310 nan 0.000 0.499 382 c N 5.669 124.383 118.600 0.191 0.000 2.629 382 c HA 0.213 4.783 4.570 0.001 0.000 0.410 382 c C 1.522 175.802 174.090 0.316 0.000 1.339 382 c CA -0.453 56.013 56.329 0.229 0.000 1.810 382 c CB -1.082 41.508 42.510 0.134 0.000 2.549 382 c HN 1.090 nan 8.230 nan 0.000 0.589 383 W N 1.187 122.555 121.300 0.113 0.000 1.952 383 W HA 0.359 5.020 4.660 0.001 0.000 0.236 383 W C 0.727 177.288 176.519 0.069 0.000 0.880 383 W CA 0.296 57.694 57.345 0.089 0.000 1.095 383 W CB -0.689 28.841 29.460 0.117 0.000 0.933 383 W HN 0.888 nan 8.180 nan 0.000 0.553 384 G N 1.403 109.939 108.800 -0.441 0.000 2.163 384 G HA2 -0.124 3.837 3.960 0.001 0.000 0.213 384 G HA3 -0.124 3.837 3.960 0.001 0.000 0.213 384 G C 0.588 175.003 174.900 -0.807 0.000 0.991 384 G CA -0.183 44.643 45.100 -0.457 0.000 0.653 384 G HN 0.630 nan 8.290 nan 0.000 0.518 385 G N -0.290 107.463 108.800 -1.744 0.000 2.594 385 G HA2 0.413 4.374 3.960 0.001 0.000 0.243 385 G HA3 0.413 4.374 3.960 0.001 0.000 0.243 385 G C 0.629 175.138 174.900 -0.652 0.000 1.229 385 G CA 0.436 44.667 45.100 -1.449 0.000 0.843 385 G HN 0.061 nan 8.290 nan 0.000 0.578 386 D N 0.087 120.250 120.400 -0.394 0.000 2.310 386 D HA -0.128 4.513 4.640 0.001 0.000 0.212 386 D C 2.066 178.139 176.300 -0.378 0.000 0.965 386 D CA 0.809 54.618 54.000 -0.318 0.000 0.879 386 D CB 0.129 40.802 40.800 -0.212 0.000 0.921 386 D HN 0.591 nan 8.370 nan 0.000 0.510 387 N N 0.295 118.806 118.700 -0.315 0.000 2.461 387 N HA -0.107 4.633 4.740 0.001 0.000 0.188 387 N C 0.768 176.090 175.510 -0.313 0.000 1.134 387 N CA 0.288 53.162 53.050 -0.293 0.000 0.878 387 N CB 0.058 38.484 38.487 -0.102 0.000 0.972 387 N HN 0.268 nan 8.380 nan 0.000 0.456 388 Q N -0.303 119.285 119.800 -0.354 0.000 2.139 388 Q HA 0.256 4.596 4.340 0.001 0.000 0.219 388 Q C -0.535 175.324 176.000 -0.236 0.000 0.805 388 Q CA -0.063 55.655 55.803 -0.141 0.000 1.024 388 Q CB 0.990 29.647 28.738 -0.136 0.000 1.163 388 Q HN 0.254 nan 8.270 nan 0.000 0.485 389 K N 0.342 120.382 120.400 -0.599 0.000 2.270 389 K HA 0.462 4.783 4.320 0.001 0.000 0.255 389 K C -1.423 174.701 176.600 -0.793 0.000 0.936 389 K CA -0.390 55.629 56.287 -0.447 0.000 0.809 389 K CB 1.345 33.673 32.500 -0.285 0.000 1.131 389 K HN -0.104 nan 8.250 nan 0.000 0.427 390 W N 1.064 122.397 121.300 0.056 0.000 2.962 390 W HA 0.496 5.157 4.660 0.001 0.000 0.341 390 W C -0.331 176.263 176.519 0.124 0.000 1.155 390 W CA -0.846 56.535 57.345 0.060 0.000 1.165 390 W CB 1.138 30.611 29.460 0.022 0.000 1.435 390 W HN 0.174 nan 8.180 nan 0.000 0.546 391 R N 1.914 122.559 120.500 0.242 0.000 2.437 391 R HA 0.517 4.858 4.340 0.001 0.000 0.310 391 R C -0.946 175.379 176.300 0.042 0.000 0.955 391 R CA -0.960 55.223 56.100 0.139 0.000 0.851 391 R CB 1.302 31.648 30.300 0.076 0.000 1.161 391 R HN 0.397 nan 8.270 nan 0.000 0.446 392 L N 3.845 125.018 121.223 -0.083 0.000 2.302 392 L HA 0.265 4.606 4.340 0.001 0.000 0.285 392 L C 0.078 176.910 176.870 -0.064 0.000 1.090 392 L CA -0.647 54.096 54.840 -0.162 0.000 0.866 392 L CB -0.035 41.800 42.059 -0.374 0.000 1.244 392 L HN 0.401 nan 8.230 nan 0.000 0.435 393 N N 0.976 119.668 118.700 -0.014 0.000 2.508 393 N HA 0.000 4.741 4.740 0.001 0.000 0.264 393 N C 1.246 176.752 175.510 -0.007 0.000 1.216 393 N CA 0.113 53.165 53.050 0.003 0.000 0.943 393 N CB 1.625 40.127 38.487 0.026 0.000 1.113 393 N HN 0.577 nan 8.380 nan 0.000 0.447 394 S N 0.057 115.751 115.700 -0.010 0.000 2.447 394 S HA -0.168 4.303 4.470 0.001 0.000 0.233 394 S C 0.950 175.546 174.600 -0.007 0.000 1.006 394 S CA 0.979 59.171 58.200 -0.013 0.000 0.957 394 S CB -0.137 63.053 63.200 -0.017 0.000 0.773 394 S HN 0.693 nan 8.310 nan 0.000 0.507 395 D N 0.607 121.007 120.400 -0.000 0.000 2.363 395 D HA 0.200 4.840 4.640 0.001 0.000 0.226 395 D C 1.457 177.758 176.300 0.001 0.000 1.020 395 D CA 0.747 54.746 54.000 -0.002 0.000 0.892 395 D CB -0.677 40.123 40.800 -0.000 0.000 0.900 395 D HN 0.619 nan 8.370 nan 0.000 0.531 396 G N -0.024 108.787 108.800 0.017 0.000 2.213 396 G HA2 -0.264 3.697 3.960 0.001 0.000 0.236 396 G HA3 -0.264 3.697 3.960 0.001 0.000 0.236 396 G C 0.397 175.371 174.900 0.122 0.000 0.991 396 G CA 0.315 45.441 45.100 0.043 0.000 0.629 396 G HN 0.809 nan 8.290 nan 0.000 0.517 397 S N -0.111 115.652 115.700 0.105 0.000 2.617 397 S HA 0.763 5.234 4.470 0.001 0.000 0.269 397 S C 0.021 174.719 174.600 0.163 0.000 1.292 397 S CA -0.511 57.796 58.200 0.178 0.000 1.010 397 S CB 1.897 65.164 63.200 0.112 0.000 0.944 397 S HN 0.641 nan 8.310 nan 0.000 0.536 398 I N 1.862 122.542 120.570 0.184 0.000 2.439 398 I HA 0.333 4.504 4.170 0.001 0.000 0.283 398 I C -1.130 175.096 176.117 0.181 0.000 1.023 398 I CA -0.892 60.450 61.300 0.070 0.000 1.100 398 I CB 1.889 39.775 38.000 -0.191 0.000 1.238 398 I HN 0.410 nan 8.210 nan 0.000 0.445 399 V N 4.808 124.840 119.914 0.197 0.000 2.435 399 V HA 0.491 4.611 4.120 0.001 0.000 0.290 399 V C 0.816 177.022 176.094 0.187 0.000 1.030 399 V CA -0.681 61.734 62.300 0.190 0.000 0.881 399 V CB 1.615 33.487 31.823 0.081 0.000 0.983 399 V HN 0.855 nan 8.190 nan 0.000 0.445 400 G N 2.758 111.604 108.800 0.077 0.000 2.361 400 G HA2 0.351 4.312 3.960 0.001 0.000 0.260 400 G HA3 0.351 4.312 3.960 0.001 0.000 0.260 400 G C 0.931 175.635 174.900 -0.328 0.000 1.261 400 G CA -0.257 44.583 45.100 -0.433 0.000 0.897 400 G HN 0.551 nan 8.290 nan 0.000 0.499 401 V N 2.177 121.841 119.914 -0.416 0.000 2.255 401 V HA -0.272 3.849 4.120 0.001 0.000 0.247 401 V C 2.885 178.843 176.094 -0.225 0.000 1.051 401 V CA 2.468 64.608 62.300 -0.267 0.000 1.018 401 V CB -0.677 30.987 31.823 -0.264 0.000 0.641 401 V HN 0.877 nan 8.190 nan 0.000 0.445 402 Q N 0.133 119.774 119.800 -0.266 0.000 2.084 402 Q HA -0.201 4.140 4.340 0.001 0.000 0.202 402 Q C 2.367 178.284 176.000 -0.140 0.000 0.978 402 Q CA 2.289 57.983 55.803 -0.182 0.000 0.844 402 Q CB -0.112 28.517 28.738 -0.182 0.000 0.898 402 Q HN 0.783 nan 8.270 nan 0.000 0.426 403 S N -1.782 113.823 115.700 -0.158 0.000 2.446 403 S HA 0.128 4.598 4.470 0.001 0.000 0.225 403 S C 1.508 176.060 174.600 -0.081 0.000 1.016 403 S CA 0.718 58.857 58.200 -0.103 0.000 0.943 403 S CB 0.191 63.340 63.200 -0.086 0.000 0.786 403 S HN 0.678 nan 8.310 nan 0.000 0.508 404 G N 0.601 109.347 108.800 -0.089 0.000 2.168 404 G HA2 -0.203 3.758 3.960 0.001 0.000 0.263 404 G HA3 -0.203 3.758 3.960 0.001 0.000 0.263 404 G C -0.212 174.674 174.900 -0.025 0.000 0.977 404 G CA 0.507 45.570 45.100 -0.060 0.000 0.659 404 G HN 0.488 nan 8.290 nan 0.000 0.533 405 L N 0.070 121.287 121.223 -0.009 0.000 2.344 405 L HA 0.712 5.052 4.340 0.001 0.000 0.272 405 L C 0.927 177.868 176.870 0.118 0.000 1.035 405 L CA -0.942 53.921 54.840 0.038 0.000 0.807 405 L CB 1.477 43.549 42.059 0.021 0.000 1.237 405 L HN 0.216 nan 8.230 nan 0.000 0.442 406 c N 1.941 120.631 118.600 0.149 0.000 2.405 406 c HA 0.437 5.008 4.570 0.001 0.000 0.365 406 c C 0.491 174.723 174.090 0.237 0.000 1.233 406 c CA -1.099 55.349 56.329 0.200 0.000 2.230 406 c CB 0.494 43.112 42.510 0.180 0.000 2.443 406 c HN 0.529 nan 8.230 nan 0.000 0.556 407 L N 3.395 124.759 121.223 0.236 0.000 2.453 407 L HA 0.211 4.551 4.340 0.001 0.000 0.272 407 L C 0.195 177.266 176.870 0.334 0.000 1.182 407 L CA 0.980 55.927 54.840 0.179 0.000 0.858 407 L CB 0.171 42.173 42.059 -0.094 0.000 1.120 407 L HN 0.690 nan 8.230 nan 0.000 0.474 408 D N 3.044 123.608 120.400 0.273 0.000 2.936 408 D HA 0.329 4.970 4.640 0.001 0.000 0.238 408 D C -0.919 175.484 176.300 0.172 0.000 1.248 408 D CA -0.473 53.657 54.000 0.217 0.000 0.903 408 D CB 2.123 43.028 40.800 0.175 0.000 1.544 408 D HN 0.509 nan 8.370 nan 0.000 0.543 409 A N 3.693 126.589 122.820 0.125 0.000 2.395 409 A HA 0.372 4.692 4.320 0.001 0.000 0.286 409 A C 0.570 178.166 177.584 0.020 0.000 1.193 409 A CA -0.410 51.679 52.037 0.086 0.000 0.852 409 A CB 0.193 19.207 19.000 0.023 0.000 1.118 409 A HN 0.452 nan 8.150 nan 0.000 0.524 410 V N 3.121 123.055 119.914 0.034 0.000 2.678 410 V HA 0.167 4.288 4.120 0.001 0.000 0.304 410 V C 1.739 177.816 176.094 -0.028 0.000 1.086 410 V CA 1.839 64.142 62.300 0.004 0.000 1.246 410 V CB -0.425 31.415 31.823 0.029 0.000 0.861 410 V HN 1.905 nan 8.190 nan 0.000 0.491 411 G N 3.989 112.750 108.800 -0.067 0.000 2.187 411 G HA2 -0.062 3.898 3.960 0.001 0.000 0.261 411 G HA3 -0.062 3.898 3.960 0.001 0.000 0.261 411 G C 1.126 175.982 174.900 -0.074 0.000 1.000 411 G CA 0.640 45.697 45.100 -0.073 0.000 0.718 411 G HN 2.478 nan 8.290 nan 0.000 0.519 412 G N -1.502 107.248 108.800 -0.082 0.000 2.179 412 G HA2 0.166 4.126 3.960 0.001 0.000 0.257 412 G HA3 0.166 4.126 3.960 0.001 0.000 0.257 412 G C 1.353 176.213 174.900 -0.067 0.000 1.010 412 G CA 0.915 45.964 45.100 -0.085 0.000 0.736 412 G HN 2.140 nan 8.290 nan 0.000 0.513 413 G N -0.948 107.825 108.800 -0.045 0.000 2.559 413 G HA2 0.504 4.464 3.960 0.001 0.000 0.235 413 G HA3 0.504 4.464 3.960 0.001 0.000 0.235 413 G C 1.070 175.949 174.900 -0.036 0.000 1.266 413 G CA 1.084 46.166 45.100 -0.030 0.000 0.847 413 G HN 1.372 nan 8.290 nan 0.000 0.583 414 T N -2.008 112.525 114.554 -0.035 0.000 2.986 414 T HA 0.556 4.907 4.350 0.001 0.000 0.264 414 T C 1.065 175.744 174.700 -0.035 0.000 0.964 414 T CA 0.689 62.764 62.100 -0.043 0.000 0.895 414 T CB 0.192 69.026 68.868 -0.056 0.000 1.163 414 T HN 0.933 nan 8.240 nan 0.000 0.517 415 A N 2.204 125.007 122.820 -0.028 0.000 2.313 415 A HA 0.560 4.881 4.320 0.001 0.000 0.261 415 A C 0.279 177.847 177.584 -0.026 0.000 1.090 415 A CA -0.631 51.384 52.037 -0.036 0.000 0.807 415 A CB -0.012 18.973 19.000 -0.025 0.000 1.055 415 A HN 0.396 nan 8.150 nan 0.000 0.492 416 N N -0.186 118.471 118.700 -0.072 0.000 2.407 416 N HA 0.296 5.036 4.740 0.001 0.000 0.250 416 N C 1.185 176.752 175.510 0.095 0.000 1.236 416 N CA 1.682 54.701 53.050 -0.052 0.000 0.879 416 N CB 0.795 39.136 38.487 -0.243 0.000 1.088 416 N HN 1.293 nan 8.380 nan 0.000 0.450 417 G N 0.571 109.490 108.800 0.198 0.000 2.199 417 G HA2 -0.284 3.677 3.960 0.001 0.000 0.254 417 G HA3 -0.284 3.677 3.960 0.001 0.000 0.254 417 G C 0.171 175.136 174.900 0.109 0.000 0.982 417 G CA 0.403 45.598 45.100 0.158 0.000 0.632 417 G HN 0.622 nan 8.290 nan 0.000 0.529 418 T N 2.249 116.859 114.554 0.093 0.000 2.888 418 T HA 0.473 4.824 4.350 0.001 0.000 0.301 418 T C 1.000 175.754 174.700 0.091 0.000 1.001 418 T CA 0.146 62.290 62.100 0.073 0.000 1.147 418 T CB 0.957 69.859 68.868 0.056 0.000 0.931 418 T HN 0.369 nan 8.240 nan 0.000 0.541 419 L N 3.446 124.716 121.223 0.078 0.000 2.421 419 L HA 0.469 4.809 4.340 0.001 0.000 0.263 419 L C 0.193 177.115 176.870 0.086 0.000 1.122 419 L CA -1.062 53.828 54.840 0.082 0.000 0.804 419 L CB 0.465 42.568 42.059 0.072 0.000 1.150 419 L HN 0.378 nan 8.230 nan 0.000 0.457 420 I N 1.551 122.169 120.570 0.079 0.000 2.412 420 I HA 0.357 4.528 4.170 0.001 0.000 0.296 420 I C -0.036 176.127 176.117 0.075 0.000 0.987 420 I CA -0.267 61.079 61.300 0.076 0.000 1.180 420 I CB 1.440 39.442 38.000 0.004 0.000 1.340 420 I HN 0.746 nan 8.210 nan 0.000 0.455 421 Q N 5.653 125.515 119.800 0.103 0.000 2.683 421 Q HA 0.731 5.072 4.340 0.001 0.000 0.302 421 Q C -1.809 174.288 176.000 0.162 0.000 1.042 421 Q CA -1.003 54.876 55.803 0.126 0.000 0.773 421 Q CB 2.496 31.317 28.738 0.138 0.000 1.508 421 Q HN 0.459 nan 8.270 nan 0.000 0.459 422 L N 1.140 122.469 121.223 0.176 0.000 2.322 422 L HA 0.655 4.995 4.340 0.001 0.000 0.279 422 L C -1.286 175.718 176.870 0.224 0.000 1.036 422 L CA -0.844 54.110 54.840 0.190 0.000 0.807 422 L CB 1.147 43.292 42.059 0.143 0.000 1.226 422 L HN 0.676 nan 8.230 nan 0.000 0.433 423 Y N 0.236 120.584 120.300 0.079 0.000 2.604 423 Y HA 0.183 4.733 4.550 0.001 0.000 0.331 423 Y C -0.086 175.844 175.900 0.049 0.000 1.158 423 Y CA -0.778 57.355 58.100 0.055 0.000 1.056 423 Y CB 1.871 40.361 38.460 0.050 0.000 1.330 423 Y HN 0.517 nan 8.280 nan 0.000 0.457 424 S N 2.332 117.948 115.700 -0.141 0.000 2.593 424 S HA -0.010 4.460 4.470 0.001 0.000 0.300 424 S C -0.364 174.349 174.600 0.187 0.000 1.267 424 S CA -0.001 58.207 58.200 0.014 0.000 1.065 424 S CB -0.462 62.709 63.200 -0.049 0.000 0.807 424 S HN 0.609 nan 8.310 nan 0.000 0.499 425 c N 3.992 122.658 118.600 0.110 0.000 2.633 425 c HA 0.210 4.781 4.570 0.001 0.000 0.415 425 c C 1.838 175.981 174.090 0.089 0.000 1.393 425 c CA -0.150 56.242 56.329 0.104 0.000 1.700 425 c CB -0.791 41.761 42.510 0.070 0.000 2.541 425 c HN 1.015 nan 8.230 nan 0.000 0.603 426 S N 1.136 116.882 115.700 0.077 0.000 2.733 426 S HA 0.095 4.565 4.470 0.001 0.000 0.247 426 S C 0.572 175.180 174.600 0.012 0.000 1.043 426 S CA -0.096 58.132 58.200 0.047 0.000 1.066 426 S CB -0.228 62.999 63.200 0.045 0.000 1.045 426 S HN 0.835 nan 8.310 nan 0.000 0.586 427 N N 1.232 119.935 118.700 0.006 0.000 2.828 427 N HA -0.115 4.626 4.740 0.001 0.000 0.248 427 N C 0.499 175.983 175.510 -0.044 0.000 1.044 427 N CA 1.000 54.040 53.050 -0.017 0.000 0.851 427 N CB -1.666 36.813 38.487 -0.013 0.000 1.136 427 N HN 0.728 nan 8.380 nan 0.000 0.572 428 G N 0.152 108.922 108.800 -0.051 0.000 2.606 428 G HA2 0.305 4.265 3.960 0.001 0.000 0.252 428 G HA3 0.305 4.265 3.960 0.001 0.000 0.252 428 G C 1.038 175.861 174.900 -0.128 0.000 1.206 428 G CA 0.367 45.419 45.100 -0.080 0.000 0.861 428 G HN 0.262 nan 8.290 nan 0.000 0.561 429 S N 0.065 115.679 115.700 -0.145 0.000 2.474 429 S HA -0.149 4.321 4.470 0.001 0.000 0.235 429 S C 1.616 176.036 174.600 -0.301 0.000 0.997 429 S CA 1.068 59.149 58.200 -0.199 0.000 0.949 429 S CB -0.209 62.895 63.200 -0.160 0.000 0.766 429 S HN 0.727 nan 8.310 nan 0.000 0.517 430 N N 0.911 119.454 118.700 -0.260 0.000 2.383 430 N HA 0.037 4.778 4.740 0.001 0.000 0.192 430 N C 0.786 176.088 175.510 -0.346 0.000 1.141 430 N CA 0.037 52.900 53.050 -0.312 0.000 0.851 430 N CB -0.202 38.177 38.487 -0.180 0.000 0.976 430 N HN 0.587 nan 8.380 nan 0.000 0.465 431 Q N -0.335 119.267 119.800 -0.331 0.000 2.127 431 Q HA 0.277 4.617 4.340 0.001 0.000 0.222 431 Q C -0.388 175.437 176.000 -0.291 0.000 0.794 431 Q CA -0.204 55.498 55.803 -0.167 0.000 1.010 431 Q CB 1.308 30.044 28.738 -0.004 0.000 1.170 431 Q HN 0.235 nan 8.270 nan 0.000 0.479 432 R N 0.004 120.141 120.500 -0.604 0.000 2.562 432 R HA 0.466 4.806 4.340 0.001 0.000 0.298 432 R C -1.425 174.401 176.300 -0.790 0.000 0.961 432 R CA -0.308 55.517 56.100 -0.459 0.000 0.881 432 R CB 1.229 31.384 30.300 -0.242 0.000 1.159 432 R HN -0.072 nan 8.270 nan 0.000 0.450 433 W N 0.373 121.627 121.300 -0.075 0.000 2.962 433 W HA 0.534 5.194 4.660 0.001 0.000 0.341 433 W C 0.146 176.621 176.519 -0.074 0.000 1.155 433 W CA -0.520 56.774 57.345 -0.085 0.000 1.165 433 W CB 1.712 31.097 29.460 -0.125 0.000 1.435 433 W HN 0.608 nan 8.180 nan 0.000 0.546 434 T N -2.031 112.616 114.554 0.155 0.000 2.778 434 T HA 0.676 5.026 4.350 0.001 0.000 0.293 434 T C -0.738 174.004 174.700 0.071 0.000 1.144 434 T CA -1.391 60.753 62.100 0.074 0.000 1.010 434 T CB 1.513 70.398 68.868 0.028 0.000 1.325 434 T HN 0.429 nan 8.240 nan 0.000 0.515 435 R N 0.963 121.488 120.500 0.042 0.000 2.457 435 R HA 0.603 4.944 4.340 0.001 0.000 0.284 435 R C 0.660 176.984 176.300 0.039 0.000 1.024 435 R CA -0.700 55.423 56.100 0.039 0.000 1.025 435 R CB 1.031 31.347 30.300 0.026 0.000 1.063 435 R HN 0.917 nan 8.270 nan 0.000 0.493 436 T N 0.000 114.581 114.554 0.045 0.000 3.816 436 T HA 0.000 4.350 4.350 0.001 0.000 0.228 436 T CA 0.000 62.125 62.100 0.042 0.000 1.349 436 T CB 0.000 68.900 68.868 0.053 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658