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 1g5i_1_D DATA FIRST_RESID 40 DATA SEQUENCE REALVDLCRR RHFLSGTPQQ LSTAALLSGC HARFGPLGVE LRKNLASQWW DATA SEQUENCE SSMVVFREQV FAVDSLHQEP GXXXXRDSAF RLVSPESIRE ILQDREPSKE DATA SEQUENCE QLVAFLENLL KTSGKLRATL LHGALEHYVN CLDLVNRKLP FGLAQIGVCF DATA SEQUENCE HPVSXXXXXX XXXXRVGEKT EASLVWFTPT RTSSQWLDFW LRHRLLWWRK DATA SEQUENCE FAMSPSNFSS ADCQDELGRK GSKLYYSFPW GKEPIETLWN LGDQELLHTY DATA SEQUENCE PGNVSTIQGR DGRKNVVPCV LSVSGDVDLG TLAYLYDSFQ LAENSFARKK DATA SEQUENCE SLQRKVLKLH PCLAPIKVAL DVGKGPTVEL RQVCQGLLNE LLENGISVWP DATA SEQUENCE GYSETVHSSL EQLHSKYDEM SVLFSVLVTE TTLENGLIQL RSRDTTMKEM DATA SEQUENCE MHISKLRDFL VKYLASASNV AAALDHHHH 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 40 R HA 0.000 nan 4.340 nan 0.000 0.208 40 R C 0.000 176.299 176.300 -0.001 0.000 0.893 40 R CA 0.000 56.097 56.100 -0.006 0.000 0.921 40 R CB 0.000 30.291 30.300 -0.014 0.000 0.687 41 E N 3.065 123.267 120.200 0.003 0.000 2.465 41 E HA -0.005 4.345 4.350 -0.000 0.000 0.260 41 E C 0.651 177.220 176.600 -0.052 0.000 0.980 41 E CA 0.984 57.387 56.400 0.005 0.000 0.927 41 E CB 1.306 31.035 29.700 0.048 0.000 0.934 41 E HN 0.709 nan 8.360 nan 0.000 0.459 42 A N 6.366 129.152 122.820 -0.056 0.000 1.896 42 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 42 A C 2.062 179.467 177.584 -0.299 0.000 1.206 42 A CA 1.614 53.595 52.037 -0.093 0.000 0.647 42 A CB -0.543 18.485 19.000 0.047 0.000 0.828 42 A HN 0.752 nan 8.150 nan 0.000 0.455 43 L N 0.055 120.902 121.223 -0.626 0.000 1.994 43 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 43 L C 2.486 179.095 176.870 -0.435 0.000 1.071 43 L CA 2.470 56.813 54.840 -0.828 0.000 0.745 43 L CB -0.893 40.563 42.059 -1.004 0.000 0.892 43 L HN 0.287 nan 8.230 nan 0.000 0.431 44 V N 0.445 120.176 119.914 -0.306 0.000 2.407 44 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 44 V C 2.355 178.389 176.094 -0.101 0.000 1.055 44 V CA 1.940 64.138 62.300 -0.170 0.000 1.049 44 V CB -0.678 31.102 31.823 -0.071 0.000 0.662 44 V HN 0.511 nan 8.190 nan 0.000 0.455 45 D N 0.006 120.351 120.400 -0.092 0.000 2.097 45 D HA -0.197 4.443 4.640 -0.000 0.000 0.195 45 D C 2.120 178.394 176.300 -0.043 0.000 0.989 45 D CA 1.431 55.399 54.000 -0.054 0.000 0.827 45 D CB -0.115 40.663 40.800 -0.036 0.000 0.966 45 D HN 0.372 nan 8.370 nan 0.000 0.456 46 L N -0.257 120.937 121.223 -0.049 0.000 2.017 46 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 46 L C 2.188 179.074 176.870 0.026 0.000 1.073 46 L CA 1.366 56.206 54.840 -0.000 0.000 0.745 46 L CB -0.317 41.757 42.059 0.026 0.000 0.894 46 L HN 0.249 nan 8.230 nan 0.000 0.432 47 C N -0.412 118.885 119.300 -0.005 0.000 2.425 47 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 47 C C 2.861 177.915 174.990 0.108 0.000 1.280 47 C CA 1.009 60.089 59.018 0.102 0.000 1.744 47 C CB -1.021 26.732 27.740 0.022 0.000 1.989 47 C HN 0.561 nan 8.230 nan 0.000 0.491 48 R N 1.169 121.674 120.500 0.007 0.000 2.073 48 R HA 0.017 4.357 4.340 -0.000 0.000 0.229 48 R C 2.318 178.506 176.300 -0.186 0.000 1.120 48 R CA 1.427 57.497 56.100 -0.051 0.000 0.967 48 R CB -0.544 29.728 30.300 -0.047 0.000 0.862 48 R HN 0.445 nan 8.270 nan 0.000 0.436 49 R N -0.364 120.057 120.500 -0.132 0.000 2.096 49 R HA 0.002 4.342 4.340 -0.000 0.000 0.235 49 R C 1.338 177.500 176.300 -0.230 0.000 1.127 49 R CA 1.168 57.166 56.100 -0.169 0.000 0.968 49 R CB -0.046 30.219 30.300 -0.058 0.000 0.861 49 R HN 0.015 nan 8.270 nan 0.000 0.440 50 R N -0.143 120.305 120.500 -0.087 0.000 2.359 50 R HA 0.079 4.419 4.340 -0.000 0.000 0.231 50 R C -0.306 175.998 176.300 0.006 0.000 0.913 50 R CA 0.021 56.129 56.100 0.013 0.000 1.075 50 R CB -0.453 29.960 30.300 0.188 0.000 1.087 50 R HN 0.348 nan 8.270 nan 0.000 0.515 51 H N -1.318 117.778 119.070 0.044 0.000 2.862 51 H HA -0.189 4.367 4.556 0.000 0.000 0.290 51 H C 0.512 175.812 175.328 -0.046 0.000 1.211 51 H CA 0.788 56.839 56.048 0.004 0.000 1.140 51 H CB -1.901 27.843 29.762 -0.030 0.000 1.341 51 H HN 0.187 nan 8.280 nan 0.000 0.392 52 F N 0.038 120.065 119.950 0.128 0.000 2.270 52 F HA 0.155 4.682 4.527 0.000 0.000 0.295 52 F C 1.753 177.699 175.800 0.243 0.000 1.087 52 F CA 0.796 58.894 58.000 0.163 0.000 1.365 52 F CB 0.487 39.558 39.000 0.118 0.000 1.056 52 F HN -0.011 nan 8.300 nan 0.000 0.506 53 L N -1.313 120.107 121.223 0.328 0.000 2.322 53 L HA 0.439 4.779 4.340 -0.000 0.000 0.269 53 L C 0.226 177.187 176.870 0.152 0.000 1.012 53 L CA -0.576 54.395 54.840 0.218 0.000 0.815 53 L CB 1.772 43.911 42.059 0.134 0.000 1.295 53 L HN -0.198 nan 8.230 nan 0.000 0.438 54 S N -0.482 115.292 115.700 0.124 0.000 2.823 54 S HA 0.928 5.398 4.470 -0.000 0.000 0.316 54 S C -0.378 174.275 174.600 0.088 0.000 1.116 54 S CA 0.163 58.437 58.200 0.123 0.000 0.911 54 S CB 1.585 64.867 63.200 0.137 0.000 1.276 54 S HN 1.121 nan 8.310 nan 0.000 0.565 55 G N 0.713 109.543 108.800 0.050 0.000 2.746 55 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.685 55 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.685 55 G C -0.140 174.709 174.900 -0.084 0.000 1.350 55 G CA -0.261 44.796 45.100 -0.071 0.000 0.837 55 G HN 1.493 nan 8.290 nan 0.000 0.564 56 T N -0.834 113.640 114.554 -0.134 0.000 2.828 56 T HA 0.607 4.957 4.350 -0.000 0.000 0.290 56 T C -0.848 173.792 174.700 -0.100 0.000 1.019 56 T CA -0.497 61.546 62.100 -0.095 0.000 1.031 56 T CB 1.533 70.345 68.868 -0.094 0.000 1.001 56 T HN 0.339 nan 8.240 nan 0.000 0.531 57 P HA -0.114 nan 4.420 nan 0.000 0.216 57 P C 1.650 178.906 177.300 -0.074 0.000 1.150 57 P CA 1.182 64.245 63.100 -0.061 0.000 0.843 57 P CB 0.017 31.691 31.700 -0.044 0.000 0.787 58 Q N -0.899 118.850 119.800 -0.085 0.000 2.297 58 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 58 Q C 1.672 177.600 176.000 -0.121 0.000 0.962 58 Q CA 0.932 56.682 55.803 -0.089 0.000 0.879 58 Q CB -0.195 28.495 28.738 -0.079 0.000 0.947 58 Q HN 0.480 nan 8.270 nan 0.000 0.462 59 Q N -0.259 119.429 119.800 -0.186 0.000 2.365 59 Q HA 0.090 4.430 4.340 -0.000 0.000 0.203 59 Q C 0.967 176.875 176.000 -0.153 0.000 0.929 59 Q CA 0.070 55.694 55.803 -0.298 0.000 0.948 59 Q CB 0.488 28.786 28.738 -0.734 0.000 1.043 59 Q HN 0.305 nan 8.270 nan 0.000 0.505 60 L N 0.377 121.544 121.223 -0.094 0.000 2.667 60 L HA 0.151 4.491 4.340 -0.000 0.000 0.232 60 L C 0.760 177.600 176.870 -0.051 0.000 1.138 60 L CA -0.341 54.473 54.840 -0.044 0.000 0.921 60 L CB 0.357 42.391 42.059 -0.041 0.000 1.180 60 L HN 0.086 nan 8.230 nan 0.000 0.487 61 S N -1.924 113.731 115.700 -0.075 0.000 2.614 61 S HA 0.095 4.565 4.470 -0.000 0.000 0.265 61 S C 1.272 175.769 174.600 -0.172 0.000 1.303 61 S CA -0.256 57.878 58.200 -0.110 0.000 1.000 61 S CB 1.283 64.417 63.200 -0.110 0.000 0.935 61 S HN 0.094 nan 8.310 nan 0.000 0.551 62 T N 1.877 116.255 114.554 -0.293 0.000 2.720 62 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 62 T C 2.176 176.606 174.700 -0.450 0.000 1.037 62 T CA 1.672 63.436 62.100 -0.559 0.000 1.144 62 T CB -0.964 67.317 68.868 -0.978 0.000 0.864 62 T HN 0.827 nan 8.240 nan 0.000 0.444 63 A N 1.435 124.065 122.820 -0.317 0.000 1.902 63 A HA 0.110 4.430 4.320 -0.000 0.000 0.217 63 A C 2.643 180.151 177.584 -0.127 0.000 1.181 63 A CA 1.936 53.846 52.037 -0.212 0.000 0.623 63 A CB -1.129 17.781 19.000 -0.150 0.000 0.818 63 A HN 0.516 nan 8.150 nan 0.000 0.443 64 A N -0.233 122.534 122.820 -0.088 0.000 1.877 64 A HA -0.032 4.287 4.320 -0.000 0.000 0.216 64 A C 2.136 179.741 177.584 0.035 0.000 1.186 64 A CA 1.476 53.519 52.037 0.010 0.000 0.620 64 A CB -0.669 18.342 19.000 0.018 0.000 0.822 64 A HN 0.470 nan 8.150 nan 0.000 0.443 65 L N -0.693 120.515 121.223 -0.024 0.000 2.191 65 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 65 L C 2.330 179.137 176.870 -0.105 0.000 1.103 65 L CA 0.779 55.579 54.840 -0.067 0.000 0.769 65 L CB -0.384 41.640 42.059 -0.058 0.000 0.908 65 L HN 0.377 nan 8.230 nan 0.000 0.438 66 L N -1.130 120.021 121.223 -0.120 0.000 2.307 66 L HA -0.054 4.286 4.340 -0.000 0.000 0.211 66 L C 2.785 179.638 176.870 -0.028 0.000 1.099 66 L CA 0.897 55.683 54.840 -0.089 0.000 0.816 66 L CB -0.278 41.696 42.059 -0.141 0.000 0.952 66 L HN 0.332 nan 8.230 nan 0.000 0.455 67 S N -0.147 115.548 115.700 -0.010 0.000 2.402 67 S HA -0.064 4.406 4.470 -0.000 0.000 0.229 67 S C 1.677 176.359 174.600 0.138 0.000 1.021 67 S CA 0.808 59.055 58.200 0.078 0.000 0.974 67 S CB -0.304 62.924 63.200 0.048 0.000 0.800 67 S HN 0.507 nan 8.310 nan 0.000 0.484 68 G N -0.221 108.578 108.800 -0.002 0.000 2.147 68 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 68 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 68 G C 0.478 175.314 174.900 -0.106 0.000 1.005 68 G CA 0.130 45.183 45.100 -0.078 0.000 0.713 68 G HN 0.635 nan 8.290 nan 0.000 0.515 69 C N 1.412 120.686 119.300 -0.043 0.000 2.626 69 C HA 0.384 4.844 4.460 -0.000 0.000 0.266 69 C C 1.010 176.038 174.990 0.064 0.000 1.317 69 C CA 0.496 59.512 59.018 -0.003 0.000 1.716 69 C CB -1.577 26.180 27.740 0.027 0.000 1.819 69 C HN 0.747 nan 8.230 nan 0.000 0.578 70 H N -2.241 116.796 119.070 -0.055 0.000 3.012 70 H HA 0.550 5.106 4.556 -0.000 0.000 0.367 70 H C -0.854 174.435 175.328 -0.065 0.000 1.211 70 H CA -0.672 55.345 56.048 -0.051 0.000 1.139 70 H CB 1.396 31.126 29.762 -0.052 0.000 1.838 70 H HN -0.057 nan 8.280 nan 0.000 0.550 71 A N 2.949 125.755 122.820 -0.024 0.000 2.476 71 A HA 0.130 4.450 4.320 -0.000 0.000 0.275 71 A C 1.203 178.685 177.584 -0.171 0.000 1.133 71 A CA -0.335 51.652 52.037 -0.083 0.000 0.797 71 A CB -0.276 18.743 19.000 0.032 0.000 1.081 71 A HN 0.813 nan 8.150 nan 0.000 0.510 72 R N 1.591 121.789 120.500 -0.504 0.000 2.090 72 R HA -0.002 4.338 4.340 -0.000 0.000 0.228 72 R C -0.484 175.521 176.300 -0.490 0.000 1.110 72 R CA 0.912 56.600 56.100 -0.686 0.000 0.973 72 R CB -0.054 29.552 30.300 -1.157 0.000 0.869 72 R HN 0.696 nan 8.270 nan 0.000 0.440 73 F N -0.216 119.767 119.950 0.055 0.000 2.397 73 F HA 0.434 4.961 4.527 -0.000 0.000 0.331 73 F C 1.209 177.063 175.800 0.091 0.000 1.090 73 F CA -0.945 57.110 58.000 0.091 0.000 1.065 73 F CB 0.803 39.855 39.000 0.087 0.000 1.184 73 F HN -0.075 nan 8.300 nan 0.000 0.499 74 G N 1.122 110.104 108.800 0.303 0.000 2.557 74 G HA2 0.427 4.387 3.960 -0.000 0.000 0.302 74 G HA3 0.427 4.387 3.960 -0.000 0.000 0.302 74 G C -2.151 172.833 174.900 0.140 0.000 1.311 74 G CA -1.551 43.673 45.100 0.206 0.000 1.030 74 G HN 0.371 nan 8.290 nan 0.000 0.509 75 P HA -0.117 nan 4.420 nan 0.000 0.216 75 P C 2.021 179.294 177.300 -0.044 0.000 1.157 75 P CA 0.808 63.917 63.100 0.015 0.000 0.880 75 P CB 0.131 31.826 31.700 -0.007 0.000 0.791 76 L N -1.085 120.043 121.223 -0.158 0.000 2.093 76 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 76 L C 2.581 179.305 176.870 -0.243 0.000 1.085 76 L CA 2.176 56.776 54.840 -0.400 0.000 0.755 76 L CB -1.743 39.679 42.059 -1.061 0.000 0.904 76 L HN 0.010 nan 8.230 nan 0.000 0.435 77 G N -1.414 107.370 108.800 -0.028 0.000 2.403 77 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 77 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 77 G C 1.603 176.463 174.900 -0.066 0.000 1.154 77 G CA 0.843 46.046 45.100 0.172 0.000 0.784 77 G HN 0.234 nan 8.290 nan 0.000 0.538 78 V N 0.612 120.535 119.914 0.015 0.000 2.358 78 V HA -0.121 3.999 4.120 -0.000 0.000 0.246 78 V C 2.643 178.703 176.094 -0.056 0.000 1.047 78 V CA 2.183 64.470 62.300 -0.022 0.000 1.035 78 V CB -0.157 31.695 31.823 0.048 0.000 0.658 78 V HN 0.413 nan 8.190 nan 0.000 0.452 79 E N 0.217 120.395 120.200 -0.038 0.000 2.106 79 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 79 E C 1.915 178.495 176.600 -0.034 0.000 0.984 79 E CA 1.058 57.440 56.400 -0.030 0.000 0.806 79 E CB -0.349 29.337 29.700 -0.022 0.000 0.750 79 E HN 0.433 nan 8.360 nan 0.000 0.458 80 L N 0.833 122.043 121.223 -0.021 0.000 2.017 80 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 80 L C 2.356 179.175 176.870 -0.085 0.000 1.073 80 L CA 1.992 56.828 54.840 -0.007 0.000 0.745 80 L CB -0.579 41.545 42.059 0.107 0.000 0.894 80 L HN 0.054 nan 8.230 nan 0.000 0.432 81 R N -0.218 120.183 120.500 -0.165 0.000 2.081 81 R HA -0.246 4.094 4.340 -0.000 0.000 0.235 81 R C 2.439 178.686 176.300 -0.088 0.000 1.131 81 R CA 1.911 57.904 56.100 -0.178 0.000 0.960 81 R CB -0.235 29.869 30.300 -0.327 0.000 0.856 81 R HN 0.475 nan 8.270 nan 0.000 0.436 82 K N 0.158 120.513 120.400 -0.075 0.000 2.097 82 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 82 K C 1.646 178.226 176.600 -0.034 0.000 1.049 82 K CA 1.815 58.075 56.287 -0.044 0.000 0.933 82 K CB -0.037 32.441 32.500 -0.037 0.000 0.717 82 K HN 0.148 nan 8.250 nan 0.000 0.442 83 N N 0.771 119.440 118.700 -0.052 0.000 2.142 83 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 83 N C 1.610 177.058 175.510 -0.105 0.000 1.023 83 N CA 1.007 54.015 53.050 -0.070 0.000 0.852 83 N CB -0.320 38.112 38.487 -0.091 0.000 0.998 83 N HN 0.169 nan 8.380 nan 0.000 0.424 84 L N 1.196 122.350 121.223 -0.116 0.000 2.017 84 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 84 L C 2.056 179.003 176.870 0.129 0.000 1.073 84 L CA 1.652 56.435 54.840 -0.095 0.000 0.745 84 L CB -1.065 40.987 42.059 -0.011 0.000 0.894 84 L HN 0.130 nan 8.230 nan 0.000 0.432 85 A N -1.647 121.233 122.820 0.100 0.000 1.940 85 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 85 A C 2.404 180.133 177.584 0.241 0.000 1.176 85 A CA 2.024 54.149 52.037 0.147 0.000 0.631 85 A CB -0.916 18.105 19.000 0.033 0.000 0.814 85 A HN 0.539 nan 8.150 nan 0.000 0.446 86 S N -0.464 115.324 115.700 0.146 0.000 2.368 86 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 86 S C 2.113 176.840 174.600 0.212 0.000 1.029 86 S CA 1.253 59.545 58.200 0.154 0.000 0.988 86 S CB -0.257 62.982 63.200 0.066 0.000 0.838 86 S HN 0.600 nan 8.310 nan 0.000 0.462 87 Q N -0.570 119.349 119.800 0.199 0.000 2.167 87 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 87 Q C 1.752 178.034 176.000 0.471 0.000 0.970 87 Q CA 0.898 56.867 55.803 0.276 0.000 0.855 87 Q CB -0.306 28.512 28.738 0.133 0.000 0.911 87 Q HN 0.751 nan 8.270 nan 0.000 0.438 88 W N 0.164 121.633 121.300 0.280 0.000 2.379 88 W HA -0.153 4.507 4.660 -0.000 0.000 0.307 88 W C 2.027 178.483 176.519 -0.105 0.000 1.200 88 W CA 0.909 58.177 57.345 -0.128 0.000 1.297 88 W CB -0.376 28.932 29.460 -0.253 0.000 1.140 88 W HN 0.224 nan 8.180 nan 0.000 0.507 89 W N 0.917 122.333 121.300 0.193 0.000 2.363 89 W HA -0.205 4.455 4.660 -0.000 0.000 0.296 89 W C 2.124 178.516 176.519 -0.212 0.000 1.212 89 W CA 2.092 59.462 57.345 0.042 0.000 1.260 89 W CB -0.715 28.815 29.460 0.117 0.000 1.131 89 W HN -0.168 nan 8.180 nan 0.000 0.530 90 S N 0.213 115.854 115.700 -0.097 0.000 2.355 90 S HA -0.168 4.302 4.470 -0.000 0.000 0.222 90 S C 1.923 176.013 174.600 -0.849 0.000 1.031 90 S CA 1.825 59.712 58.200 -0.523 0.000 0.993 90 S CB -0.482 62.434 63.200 -0.472 0.000 0.859 90 S HN 0.153 nan 8.310 nan 0.000 0.453 91 S N 0.890 116.292 115.700 -0.496 0.000 2.371 91 S HA 0.078 4.548 4.470 -0.000 0.000 0.224 91 S C 1.788 176.200 174.600 -0.313 0.000 1.029 91 S CA 1.035 59.054 58.200 -0.300 0.000 0.978 91 S CB -0.205 62.915 63.200 -0.132 0.000 0.833 91 S HN 0.273 nan 8.310 nan 0.000 0.466 92 M N 0.164 119.351 119.600 -0.689 0.000 2.476 92 M HA 0.190 4.670 4.480 -0.000 0.000 0.262 92 M C 1.266 177.143 176.300 -0.705 0.000 1.111 92 M CA 0.664 55.470 55.300 -0.824 0.000 1.127 92 M CB 0.288 31.854 32.600 -1.724 0.000 1.376 92 M HN 0.119 nan 8.290 nan 0.000 0.465 93 V N -3.067 116.394 119.914 -0.755 0.000 3.054 93 V HA 0.064 4.184 4.120 -0.000 0.000 0.227 93 V C 1.883 177.735 176.094 -0.404 0.000 1.252 93 V CA 0.422 62.287 62.300 -0.725 0.000 1.279 93 V CB -0.260 30.702 31.823 -1.435 0.000 1.118 93 V HN 0.011 nan 8.190 nan 0.000 0.504 94 V N 0.458 120.167 119.914 -0.342 0.000 2.282 94 V HA -0.236 3.884 4.120 -0.000 0.000 0.249 94 V C 2.130 178.343 176.094 0.198 0.000 1.057 94 V CA 2.175 64.449 62.300 -0.044 0.000 1.032 94 V CB -0.741 31.065 31.823 -0.028 0.000 0.645 94 V HN 0.493 nan 8.190 nan 0.000 0.447 95 F N 1.231 121.141 119.950 -0.067 0.000 2.804 95 F HA 0.238 4.765 4.527 -0.000 0.000 0.303 95 F C 1.079 176.855 175.800 -0.040 0.000 1.154 95 F CA -0.093 57.889 58.000 -0.029 0.000 1.401 95 F CB -0.786 38.220 39.000 0.009 0.000 1.106 95 F HN 0.229 nan 8.300 nan 0.000 0.568 96 R N 1.214 121.763 120.500 0.081 0.000 2.483 96 R HA 0.192 4.532 4.340 -0.000 0.000 0.303 96 R C 0.881 177.147 176.300 -0.057 0.000 0.987 96 R CA -0.272 55.842 56.100 0.024 0.000 0.881 96 R CB 1.330 31.637 30.300 0.013 0.000 1.177 96 R HN 0.115 nan 8.270 nan 0.000 0.451 97 E N 2.586 122.767 120.200 -0.032 0.000 2.347 97 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 97 E C 0.326 176.826 176.600 -0.167 0.000 1.008 97 E CA 1.134 57.477 56.400 -0.094 0.000 0.852 97 E CB 0.273 29.966 29.700 -0.011 0.000 0.783 97 E HN 0.626 nan 8.360 nan 0.000 0.505 98 Q N 0.643 120.423 119.800 -0.033 0.000 2.280 98 Q HA 0.214 4.554 4.340 -0.000 0.000 0.201 98 Q C -0.372 175.672 176.000 0.073 0.000 0.890 98 Q CA -0.119 55.736 55.803 0.088 0.000 0.947 98 Q CB 1.374 30.263 28.738 0.250 0.000 1.081 98 Q HN 0.007 nan 8.270 nan 0.000 0.502 99 V N 1.240 121.028 119.914 -0.210 0.000 2.417 99 V HA 0.413 4.533 4.120 -0.000 0.000 0.291 99 V C -0.714 175.095 176.094 -0.476 0.000 1.024 99 V CA -0.551 61.663 62.300 -0.143 0.000 0.861 99 V CB 0.814 32.561 31.823 -0.126 0.000 0.985 99 V HN 0.074 nan 8.190 nan 0.000 0.436 100 F N 2.103 122.109 119.950 0.093 0.000 2.561 100 F HA 0.795 5.322 4.527 -0.000 0.000 0.321 100 F C 0.605 176.470 175.800 0.109 0.000 1.065 100 F CA -0.851 57.201 58.000 0.087 0.000 0.934 100 F CB 1.632 40.689 39.000 0.095 0.000 1.215 100 F HN 0.538 nan 8.300 nan 0.000 0.471 101 A N 1.396 124.434 122.820 0.363 0.000 2.371 101 A HA 0.621 4.941 4.320 -0.000 0.000 0.257 101 A C -0.838 176.924 177.584 0.297 0.000 1.089 101 A CA -0.458 51.838 52.037 0.431 0.000 0.794 101 A CB 0.915 20.284 19.000 0.614 0.000 1.029 101 A HN 0.696 nan 8.150 nan 0.000 0.488 102 V N 1.454 121.513 119.914 0.242 0.000 2.925 102 V HA 0.646 4.766 4.120 -0.000 0.000 0.311 102 V C -1.618 174.474 176.094 -0.004 0.000 1.104 102 V CA -0.506 61.826 62.300 0.052 0.000 0.954 102 V CB 2.313 34.168 31.823 0.054 0.000 1.022 102 V HN 1.118 nan 8.190 nan 0.000 0.427 103 D N 3.341 123.642 120.400 -0.164 0.000 2.787 103 D HA 0.777 5.417 4.640 -0.000 0.000 0.246 103 D C -0.682 175.526 176.300 -0.153 0.000 1.150 103 D CA -0.011 53.932 54.000 -0.095 0.000 0.864 103 D CB 2.333 43.114 40.800 -0.032 0.000 1.481 103 D HN 0.867 nan 8.370 nan 0.000 0.509 104 S N 2.241 117.925 115.700 -0.027 0.000 2.661 104 S HA 0.606 5.076 4.470 -0.000 0.000 0.285 104 S C -0.419 174.231 174.600 0.082 0.000 1.138 104 S CA -1.031 57.219 58.200 0.084 0.000 0.855 104 S CB 0.713 63.985 63.200 0.120 0.000 1.136 104 S HN 0.466 nan 8.310 nan 0.000 0.484 105 L N 1.230 122.536 121.223 0.137 0.000 2.452 105 L HA 0.308 4.648 4.340 -0.000 0.000 0.267 105 L C 1.168 178.125 176.870 0.145 0.000 1.188 105 L CA -0.504 54.437 54.840 0.169 0.000 0.821 105 L CB 0.023 42.181 42.059 0.165 0.000 1.102 105 L HN 0.826 nan 8.230 nan 0.000 0.470 106 H N -0.699 118.459 119.070 0.147 0.000 2.559 106 H HA -0.021 4.535 4.556 -0.000 0.000 0.273 106 H C 0.267 175.697 175.328 0.170 0.000 1.000 106 H CA 0.323 56.497 56.048 0.210 0.000 1.195 106 H CB 0.041 29.959 29.762 0.259 0.000 1.368 106 H HN 0.456 nan 8.280 nan 0.000 0.592 107 Q N 0.789 120.717 119.800 0.212 0.000 2.342 107 Q HA 0.347 4.687 4.340 -0.000 0.000 0.267 107 Q C -0.983 175.098 176.000 0.135 0.000 1.038 107 Q CA -0.745 55.139 55.803 0.134 0.000 0.832 107 Q CB 2.390 31.180 28.738 0.085 0.000 1.323 107 Q HN 0.286 nan 8.270 nan 0.000 0.448 108 E N 2.315 122.580 120.200 0.108 0.000 2.264 108 E HA 0.524 4.874 4.350 -0.000 0.000 0.260 108 E C -2.514 174.109 176.600 0.039 0.000 0.961 108 E CA -2.346 54.114 56.400 0.100 0.000 0.834 108 E CB 1.724 31.440 29.700 0.028 0.000 1.230 108 E HN 0.519 nan 8.360 nan 0.000 0.412 109 P HA 0.129 nan 4.420 nan 0.000 0.278 109 P C -0.296 176.989 177.300 -0.025 0.000 1.238 109 P CA -0.251 62.851 63.100 0.003 0.000 0.794 109 P CB 0.722 32.430 31.700 0.014 0.000 0.955 116 D N 0.320 120.732 120.400 0.020 0.000 1.821 116 D HA -0.007 4.633 4.640 -0.000 0.000 0.307 116 D C 0.995 177.325 176.300 0.051 0.000 1.054 116 D CA 1.484 55.503 54.000 0.031 0.000 0.832 116 D CB -0.125 40.700 40.800 0.042 0.000 1.150 116 D HN 0.224 nan 8.370 nan 0.000 0.407 117 S N -0.701 115.052 115.700 0.089 0.000 2.605 117 S HA 0.295 4.765 4.470 -0.000 0.000 0.217 117 S C 0.123 174.859 174.600 0.227 0.000 0.958 117 S CA 0.035 58.315 58.200 0.133 0.000 0.919 117 S CB -0.717 62.586 63.200 0.172 0.000 0.780 117 S HN 0.453 nan 8.310 nan 0.000 0.507 118 A N 1.842 124.767 122.820 0.175 0.000 2.563 118 A HA 0.239 4.559 4.320 -0.000 0.000 0.256 118 A C 0.002 177.743 177.584 0.261 0.000 1.056 118 A CA 0.149 52.310 52.037 0.207 0.000 0.775 118 A CB -0.669 18.401 19.000 0.116 0.000 0.973 118 A HN 0.435 nan 8.150 nan 0.000 0.516 119 F N 2.517 122.457 119.950 -0.017 0.000 2.553 119 F HA 0.191 4.718 4.527 -0.000 0.000 0.356 119 F C 1.338 177.103 175.800 -0.059 0.000 1.142 119 F CA 0.458 58.434 58.000 -0.041 0.000 1.322 119 F CB 0.504 39.467 39.000 -0.062 0.000 1.126 119 F HN 0.491 nan 8.300 nan 0.000 0.599 120 R N 2.714 123.230 120.500 0.026 0.000 2.486 120 R HA 0.468 4.808 4.340 -0.000 0.000 0.286 120 R C -1.094 175.201 176.300 -0.008 0.000 0.999 120 R CA -1.160 54.934 56.100 -0.009 0.000 0.993 120 R CB 0.938 31.205 30.300 -0.055 0.000 1.084 120 R HN 0.389 nan 8.270 nan 0.000 0.487 121 L N 2.081 123.295 121.223 -0.016 0.000 2.265 121 L HA 0.320 4.660 4.340 -0.000 0.000 0.288 121 L C -0.257 176.602 176.870 -0.019 0.000 1.058 121 L CA -0.162 54.668 54.840 -0.017 0.000 0.809 121 L CB 1.352 43.399 42.059 -0.020 0.000 1.179 121 L HN 0.208 nan 8.230 nan 0.000 0.429 122 V N 1.919 121.826 119.914 -0.010 0.000 2.540 122 V HA 0.419 4.539 4.120 -0.000 0.000 0.302 122 V C 0.111 176.215 176.094 0.017 0.000 1.035 122 V CA -0.809 61.489 62.300 -0.004 0.000 0.873 122 V CB 1.975 33.800 31.823 0.003 0.000 0.992 122 V HN 0.743 nan 8.190 nan 0.000 0.428 123 S N 6.709 122.423 115.700 0.024 0.000 2.481 123 S HA 0.253 4.723 4.470 -0.000 0.000 0.276 123 S C -0.811 173.822 174.600 0.054 0.000 1.247 123 S CA -0.938 57.282 58.200 0.033 0.000 1.053 123 S CB 1.045 64.264 63.200 0.032 0.000 0.925 123 S HN 0.665 nan 8.310 nan 0.000 0.491 124 P HA -0.130 nan 4.420 nan 0.000 0.218 124 P C 0.797 178.123 177.300 0.043 0.000 1.148 124 P CA 1.190 64.314 63.100 0.041 0.000 0.822 124 P CB 0.117 31.832 31.700 0.025 0.000 0.784 125 E N 0.710 120.934 120.200 0.041 0.000 2.085 125 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 125 E C 2.364 178.999 176.600 0.059 0.000 0.994 125 E CA 1.889 58.311 56.400 0.037 0.000 0.801 125 E CB -0.576 29.143 29.700 0.032 0.000 0.743 125 E HN 0.368 nan 8.360 nan 0.000 0.453 126 S N 0.692 116.452 115.700 0.101 0.000 2.399 126 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 126 S C 2.032 176.765 174.600 0.222 0.000 1.022 126 S CA 0.798 59.111 58.200 0.187 0.000 0.983 126 S CB -0.354 62.977 63.200 0.218 0.000 0.803 126 S HN 0.189 nan 8.310 nan 0.000 0.480 127 I N 0.936 121.603 120.570 0.162 0.000 2.406 127 I HA -0.018 4.152 4.170 -0.000 0.000 0.249 127 I C 3.084 179.142 176.117 -0.098 0.000 1.122 127 I CA 0.746 62.052 61.300 0.009 0.000 1.431 127 I CB -0.199 37.839 38.000 0.063 0.000 1.087 127 I HN 0.216 nan 8.210 nan 0.000 0.424 128 R N 0.738 121.219 120.500 -0.032 0.000 2.070 128 R HA -0.194 4.146 4.340 -0.000 0.000 0.233 128 R C 2.212 178.477 176.300 -0.058 0.000 1.137 128 R CA 1.637 57.712 56.100 -0.042 0.000 0.945 128 R CB -0.221 30.071 30.300 -0.014 0.000 0.845 128 R HN 0.284 nan 8.270 nan 0.000 0.430 129 E N 0.120 120.299 120.200 -0.036 0.000 2.070 129 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 129 E C 1.737 178.291 176.600 -0.077 0.000 1.004 129 E CA 1.385 57.765 56.400 -0.034 0.000 0.805 129 E CB -0.034 29.669 29.700 0.006 0.000 0.744 129 E HN 0.139 nan 8.360 nan 0.000 0.451 130 I N 0.085 120.562 120.570 -0.154 0.000 2.394 130 I HA -0.178 3.992 4.170 -0.000 0.000 0.251 130 I C 1.733 177.723 176.117 -0.211 0.000 1.136 130 I CA 0.749 61.906 61.300 -0.238 0.000 1.425 130 I CB -0.060 37.602 38.000 -0.565 0.000 1.079 130 I HN 0.158 nan 8.210 nan 0.000 0.425 131 L N -0.511 120.596 121.223 -0.194 0.000 2.313 131 L HA -0.059 4.281 4.340 -0.000 0.000 0.214 131 L C 2.225 179.042 176.870 -0.088 0.000 1.119 131 L CA 1.459 56.216 54.840 -0.139 0.000 0.809 131 L CB -0.750 41.237 42.059 -0.120 0.000 0.933 131 L HN 0.311 nan 8.230 nan 0.000 0.449 132 Q N -1.135 118.620 119.800 -0.076 0.000 2.389 132 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 132 Q C 0.089 176.062 176.000 -0.046 0.000 0.944 132 Q CA 0.051 55.825 55.803 -0.050 0.000 0.908 132 Q CB 0.252 28.967 28.738 -0.038 0.000 1.002 132 Q HN 0.387 nan 8.270 nan 0.000 0.493 133 D N 0.251 120.617 120.400 -0.057 0.000 2.414 133 D HA 0.134 4.774 4.640 -0.000 0.000 0.242 133 D C -0.094 176.182 176.300 -0.041 0.000 1.129 133 D CA 0.367 54.340 54.000 -0.046 0.000 0.885 133 D CB 0.589 41.357 40.800 -0.054 0.000 1.198 133 D HN 0.115 nan 8.370 nan 0.000 0.437 134 R N 1.979 122.461 120.500 -0.030 0.000 2.486 134 R HA 0.412 4.752 4.340 -0.000 0.000 0.286 134 R C 0.432 176.718 176.300 -0.023 0.000 0.999 134 R CA -0.460 55.624 56.100 -0.026 0.000 0.993 134 R CB -0.208 30.080 30.300 -0.019 0.000 1.084 134 R HN 0.773 nan 8.270 nan 0.000 0.487 135 E N -0.512 119.675 120.200 -0.022 0.000 2.389 135 E HA -0.116 4.234 4.350 -0.000 0.000 0.243 135 E C -1.964 174.624 176.600 -0.020 0.000 1.154 135 E CA 0.476 56.865 56.400 -0.018 0.000 0.723 135 E CB -1.765 27.927 29.700 -0.014 0.000 1.261 135 E HN 0.651 nan 8.360 nan 0.000 0.390 136 P HA 0.028 nan 4.420 nan 0.000 0.269 136 P C 0.048 177.336 177.300 -0.021 0.000 1.252 136 P CA 0.091 63.172 63.100 -0.030 0.000 0.780 136 P CB 0.856 32.526 31.700 -0.051 0.000 0.829 137 S N 2.447 118.140 115.700 -0.012 0.000 2.579 137 S HA 0.070 4.540 4.470 -0.000 0.000 0.275 137 S C 1.336 175.934 174.600 -0.003 0.000 1.345 137 S CA -0.541 57.656 58.200 -0.006 0.000 1.031 137 S CB 1.048 64.248 63.200 -0.001 0.000 0.892 137 S HN 0.450 nan 8.310 nan 0.000 0.529 138 K N 1.320 121.719 120.400 -0.001 0.000 2.211 138 K HA -0.199 4.121 4.320 -0.000 0.000 0.204 138 K C 1.720 178.327 176.600 0.012 0.000 1.047 138 K CA 1.887 58.176 56.287 0.003 0.000 0.935 138 K CB -0.234 32.267 32.500 0.002 0.000 0.728 138 K HN 0.895 nan 8.250 nan 0.000 0.452 139 E N -0.292 119.915 120.200 0.012 0.000 2.216 139 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 139 E C 1.998 178.616 176.600 0.029 0.000 0.988 139 E CA 0.600 57.011 56.400 0.018 0.000 0.834 139 E CB -0.036 29.672 29.700 0.013 0.000 0.772 139 E HN 0.315 nan 8.360 nan 0.000 0.479 140 Q N 0.669 120.483 119.800 0.025 0.000 2.123 140 Q HA -0.002 4.338 4.340 -0.000 0.000 0.199 140 Q C 2.078 178.115 176.000 0.061 0.000 0.966 140 Q CA 0.927 56.751 55.803 0.035 0.000 0.845 140 Q CB 0.147 28.892 28.738 0.013 0.000 0.907 140 Q HN 0.318 nan 8.270 nan 0.000 0.439 141 L N -0.848 120.399 121.223 0.040 0.000 2.095 141 L HA -0.106 4.234 4.340 -0.000 0.000 0.204 141 L C 2.189 179.131 176.870 0.120 0.000 1.080 141 L CA 0.541 55.414 54.840 0.055 0.000 0.759 141 L CB -0.251 41.809 42.059 0.003 0.000 0.914 141 L HN 0.115 nan 8.230 nan 0.000 0.439 142 V N 0.266 120.225 119.914 0.075 0.000 2.515 142 V HA -0.224 3.896 4.120 -0.000 0.000 0.250 142 V C 2.624 178.760 176.094 0.071 0.000 1.058 142 V CA 1.671 64.010 62.300 0.065 0.000 1.064 142 V CB -0.637 31.206 31.823 0.034 0.000 0.675 142 V HN 0.460 nan 8.190 nan 0.000 0.461 143 A N -1.170 121.696 122.820 0.077 0.000 2.119 143 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 143 A C 1.979 179.612 177.584 0.081 0.000 1.153 143 A CA 1.240 53.312 52.037 0.059 0.000 0.692 143 A CB -0.510 18.521 19.000 0.053 0.000 0.799 143 A HN 0.565 nan 8.150 nan 0.000 0.458 144 F N 0.000 119.943 119.950 -0.013 0.000 2.179 144 F HA 0.080 4.607 4.527 -0.000 0.000 0.292 144 F C 1.739 177.529 175.800 -0.018 0.000 1.089 144 F CA 1.208 59.199 58.000 -0.014 0.000 1.295 144 F CB -0.117 38.875 39.000 -0.014 0.000 1.041 144 F HN 0.102 nan 8.300 nan 0.000 0.487 145 L N 0.118 121.420 121.223 0.131 0.000 2.141 145 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 145 L C 2.323 179.147 176.870 -0.077 0.000 1.094 145 L CA 1.355 56.204 54.840 0.016 0.000 0.763 145 L CB -0.590 41.523 42.059 0.090 0.000 0.908 145 L HN 0.225 nan 8.230 nan 0.000 0.437 146 E N 0.128 120.297 120.200 -0.051 0.000 2.028 146 E HA -0.251 4.099 4.350 -0.000 0.000 0.191 146 E C 1.881 178.421 176.600 -0.101 0.000 0.988 146 E CA 1.399 57.765 56.400 -0.058 0.000 0.799 146 E CB 0.012 29.694 29.700 -0.029 0.000 0.755 146 E HN 0.357 nan 8.360 nan 0.000 0.447 147 N N 0.507 119.124 118.700 -0.139 0.000 2.104 147 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 147 N C 1.805 177.189 175.510 -0.209 0.000 1.024 147 N CA 1.002 53.952 53.050 -0.167 0.000 0.853 147 N CB -0.206 38.160 38.487 -0.201 0.000 1.008 147 N HN 0.102 nan 8.380 nan 0.000 0.424 148 L N -0.412 120.626 121.223 -0.309 0.000 1.990 148 L HA -0.206 4.134 4.340 -0.000 0.000 0.213 148 L C 1.904 178.679 176.870 -0.158 0.000 1.072 148 L CA 1.132 55.806 54.840 -0.276 0.000 0.755 148 L CB -0.420 41.455 42.059 -0.307 0.000 0.889 148 L HN 0.302 nan 8.230 nan 0.000 0.432 149 L N -0.554 120.593 121.223 -0.127 0.000 2.275 149 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 149 L C 2.313 179.140 176.870 -0.072 0.000 1.119 149 L CA 1.597 56.384 54.840 -0.087 0.000 0.790 149 L CB -0.558 41.459 42.059 -0.070 0.000 0.919 149 L HN 0.140 nan 8.230 nan 0.000 0.443 150 K N -1.866 118.486 120.400 -0.079 0.000 2.334 150 K HA 0.050 4.370 4.320 -0.000 0.000 0.195 150 K C 1.620 178.185 176.600 -0.058 0.000 1.045 150 K CA 1.141 57.391 56.287 -0.060 0.000 1.004 150 K CB 0.473 32.940 32.500 -0.056 0.000 0.837 150 K HN 0.437 nan 8.250 nan 0.000 0.510 151 T N -3.184 111.325 114.554 -0.074 0.000 2.959 151 T HA 0.189 4.539 4.350 -0.000 0.000 0.254 151 T C 0.609 175.275 174.700 -0.057 0.000 1.003 151 T CA -0.356 61.707 62.100 -0.062 0.000 0.950 151 T CB 0.391 69.217 68.868 -0.070 0.000 1.090 151 T HN -0.202 nan 8.240 nan 0.000 0.503 152 S N 2.032 117.690 115.700 -0.070 0.000 2.533 152 S HA 0.540 5.010 4.470 -0.000 0.000 0.282 152 S C 0.999 175.578 174.600 -0.035 0.000 1.304 152 S CA -0.385 57.780 58.200 -0.057 0.000 1.063 152 S CB 0.524 63.681 63.200 -0.073 0.000 0.881 152 S HN 0.724 nan 8.310 nan 0.000 0.493 153 G N 2.342 111.130 108.800 -0.020 0.000 2.636 153 G HA2 0.395 4.355 3.960 -0.000 0.000 0.246 153 G HA3 0.395 4.355 3.960 -0.000 0.000 0.246 153 G C -0.309 174.589 174.900 -0.003 0.000 1.216 153 G CA -0.581 44.516 45.100 -0.004 0.000 0.854 153 G HN 0.705 nan 8.290 nan 0.000 0.572 154 K N -0.217 120.189 120.400 0.010 0.000 2.443 154 K HA 0.559 4.879 4.320 -0.000 0.000 0.251 154 K C -0.853 175.764 176.600 0.028 0.000 0.972 154 K CA -1.048 55.250 56.287 0.018 0.000 0.833 154 K CB 1.813 34.328 32.500 0.024 0.000 1.317 154 K HN 0.300 nan 8.250 nan 0.000 0.441 155 L N 3.265 124.493 121.223 0.009 0.000 2.410 155 L HA 0.215 4.555 4.340 -0.000 0.000 0.273 155 L C 0.787 177.747 176.870 0.150 0.000 1.152 155 L CA -0.565 54.267 54.840 -0.013 0.000 0.855 155 L CB 0.422 42.312 42.059 -0.282 0.000 1.129 155 L HN 0.701 nan 8.230 nan 0.000 0.463 156 R N 2.908 123.553 120.500 0.243 0.000 2.623 156 R HA 0.264 4.604 4.340 -0.000 0.000 0.271 156 R C 0.445 176.895 176.300 0.250 0.000 1.043 156 R CA 0.215 56.447 56.100 0.221 0.000 1.083 156 R CB 0.533 30.950 30.300 0.195 0.000 0.974 156 R HN 0.700 nan 8.270 nan 0.000 0.436 157 A N 2.294 125.214 122.820 0.167 0.000 2.140 157 A HA 0.100 4.420 4.320 -0.000 0.000 0.209 157 A C 0.671 178.323 177.584 0.114 0.000 1.181 157 A CA 0.961 53.090 52.037 0.153 0.000 0.824 157 A CB 0.195 19.272 19.000 0.129 0.000 0.879 157 A HN 0.938 nan 8.150 nan 0.000 0.480 158 T N -4.664 109.952 114.554 0.102 0.000 2.787 158 T HA 0.558 4.908 4.350 -0.000 0.000 0.297 158 T C 0.140 174.889 174.700 0.081 0.000 1.221 158 T CA -0.511 61.638 62.100 0.082 0.000 1.006 158 T CB 0.668 69.588 68.868 0.088 0.000 1.328 158 T HN -0.031 nan 8.240 nan 0.000 0.509 159 L N 1.018 122.279 121.223 0.063 0.000 2.607 159 L HA 0.276 4.616 4.340 -0.000 0.000 0.228 159 L C 2.107 179.037 176.870 0.100 0.000 1.123 159 L CA -0.052 54.827 54.840 0.063 0.000 0.890 159 L CB -0.283 41.792 42.059 0.026 0.000 1.103 159 L HN 0.605 nan 8.230 nan 0.000 0.468 160 L N 0.408 121.699 121.223 0.112 0.000 1.971 160 L HA -0.285 4.055 4.340 -0.000 0.000 0.215 160 L C 2.581 179.554 176.870 0.172 0.000 1.072 160 L CA 2.239 57.154 54.840 0.125 0.000 0.758 160 L CB -0.645 41.480 42.059 0.109 0.000 0.889 160 L HN 0.267 nan 8.230 nan 0.000 0.433 161 H N -0.600 118.524 119.070 0.091 0.000 2.387 161 H HA -0.081 4.475 4.556 -0.000 0.000 0.299 161 H C 2.041 177.451 175.328 0.137 0.000 1.099 161 H CA 1.832 57.939 56.048 0.098 0.000 1.315 161 H CB -0.694 29.112 29.762 0.074 0.000 1.380 161 H HN 0.463 nan 8.280 nan 0.000 0.513 162 G N -0.239 108.593 108.800 0.054 0.000 2.422 162 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 162 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 162 G C 1.917 176.934 174.900 0.195 0.000 1.146 162 G CA 0.978 46.124 45.100 0.076 0.000 0.769 162 G HN 0.631 nan 8.290 nan 0.000 0.547 163 A N 0.709 123.643 122.820 0.190 0.000 1.873 163 A HA 0.103 4.423 4.320 -0.000 0.000 0.215 163 A C 2.441 180.251 177.584 0.376 0.000 1.186 163 A CA 1.279 53.490 52.037 0.291 0.000 0.616 163 A CB -0.444 18.715 19.000 0.264 0.000 0.823 163 A HN 0.343 nan 8.150 nan 0.000 0.442 164 L N -0.872 120.527 121.223 0.293 0.000 2.042 164 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 164 L C 2.563 179.580 176.870 0.245 0.000 1.076 164 L CA 1.766 56.792 54.840 0.311 0.000 0.749 164 L CB -0.639 41.545 42.059 0.209 0.000 0.893 164 L HN 0.482 nan 8.230 nan 0.000 0.432 165 E N -0.832 119.367 120.200 -0.002 0.000 2.265 165 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 165 E C 1.554 178.116 176.600 -0.064 0.000 0.996 165 E CA 0.692 57.002 56.400 -0.149 0.000 0.832 165 E CB 0.153 29.642 29.700 -0.352 0.000 0.756 165 E HN 0.569 nan 8.360 nan 0.000 0.491 166 H N -1.805 117.354 119.070 0.148 0.000 2.549 166 H HA -0.019 4.537 4.556 -0.000 0.000 0.279 166 H C 1.044 176.460 175.328 0.147 0.000 1.018 166 H CA -0.019 56.111 56.048 0.136 0.000 1.175 166 H CB 0.365 30.194 29.762 0.112 0.000 1.485 166 H HN 0.280 nan 8.280 nan 0.000 0.543 167 Y N 1.715 122.108 120.300 0.156 0.000 2.128 167 Y HA -0.243 4.307 4.550 0.000 0.000 0.284 167 Y C 2.102 177.935 175.900 -0.112 0.000 1.154 167 Y CA 1.318 59.382 58.100 -0.061 0.000 1.149 167 Y CB -0.440 37.871 38.460 -0.248 0.000 0.976 167 Y HN -0.105 nan 8.280 nan 0.000 0.505 168 V N 1.225 120.987 119.914 -0.253 0.000 2.343 168 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 168 V C 2.137 178.027 176.094 -0.340 0.000 1.051 168 V CA 2.070 64.108 62.300 -0.437 0.000 1.036 168 V CB -0.780 30.870 31.823 -0.290 0.000 0.654 168 V HN 0.464 nan 8.190 nan 0.000 0.451 169 N N -0.443 118.146 118.700 -0.185 0.000 2.043 169 N HA -0.194 4.546 4.740 -0.000 0.000 0.193 169 N C 1.868 177.212 175.510 -0.277 0.000 1.037 169 N CA 1.901 54.853 53.050 -0.164 0.000 0.851 169 N CB -0.951 37.509 38.487 -0.045 0.000 1.027 169 N HN 0.507 nan 8.380 nan 0.000 0.422 170 C N 0.563 119.680 119.300 -0.305 0.000 2.435 170 C HA 0.063 4.523 4.460 -0.000 0.000 0.279 170 C C 2.660 177.148 174.990 -0.838 0.000 1.321 170 C CA 0.004 58.710 59.018 -0.519 0.000 1.752 170 C CB -1.287 26.264 27.740 -0.316 0.000 1.959 170 C HN 0.374 nan 8.230 nan 0.000 0.500 171 L N 1.339 122.097 121.223 -0.775 0.000 2.042 171 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 171 L C 2.051 178.590 176.870 -0.552 0.000 1.076 171 L CA 2.734 57.111 54.840 -0.773 0.000 0.749 171 L CB -1.011 40.601 42.059 -0.745 0.000 0.893 171 L HN 0.418 nan 8.230 nan 0.000 0.432 172 D N -1.313 118.825 120.400 -0.437 0.000 2.117 172 D HA -0.232 4.408 4.640 -0.000 0.000 0.198 172 D C 2.137 178.242 176.300 -0.324 0.000 0.982 172 D CA 1.134 54.946 54.000 -0.313 0.000 0.828 172 D CB -0.093 40.564 40.800 -0.239 0.000 0.967 172 D HN 0.284 nan 8.370 nan 0.000 0.464 173 L N 0.375 121.352 121.223 -0.409 0.000 2.083 173 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 173 L C 1.868 178.491 176.870 -0.412 0.000 1.083 173 L CA 1.502 56.094 54.840 -0.413 0.000 0.752 173 L CB -0.380 41.346 42.059 -0.554 0.000 0.899 173 L HN 0.234 nan 8.230 nan 0.000 0.433 174 V N -3.351 116.249 119.914 -0.523 0.000 3.421 174 V HA 0.251 4.371 4.120 -0.000 0.000 0.316 174 V C 0.838 176.772 176.094 -0.265 0.000 1.347 174 V CA 0.116 62.184 62.300 -0.387 0.000 1.183 174 V CB -1.179 30.341 31.823 -0.504 0.000 1.092 174 V HN 0.635 nan 8.190 nan 0.000 0.433 175 N N 2.680 121.229 118.700 -0.251 0.000 2.740 175 N HA -0.237 4.503 4.740 -0.000 0.000 0.248 175 N C 0.551 175.967 175.510 -0.158 0.000 1.062 175 N CA 1.036 53.981 53.050 -0.175 0.000 0.704 175 N CB -0.495 37.923 38.487 -0.116 0.000 0.968 175 N HN 0.847 nan 8.380 nan 0.000 0.547 176 R N -2.728 117.645 120.500 -0.212 0.000 3.989 176 R HA -0.203 4.137 4.340 -0.000 0.000 0.377 176 R C -0.047 176.214 176.300 -0.064 0.000 1.158 176 R CA 1.237 57.249 56.100 -0.145 0.000 1.035 176 R CB -1.526 28.713 30.300 -0.101 0.000 1.557 176 R HN 0.378 nan 8.270 nan 0.000 0.551 177 K N 1.768 122.121 120.400 -0.077 0.000 2.349 177 K HA 0.306 4.626 4.320 -0.000 0.000 0.289 177 K C 0.126 176.782 176.600 0.093 0.000 1.064 177 K CA -0.010 56.276 56.287 -0.001 0.000 0.947 177 K CB 0.475 32.967 32.500 -0.013 0.000 1.007 177 K HN 0.061 nan 8.250 nan 0.000 0.478 178 L N 6.180 127.465 121.223 0.103 0.000 2.360 178 L HA 0.523 4.863 4.340 -0.000 0.000 0.271 178 L C -1.826 175.069 176.870 0.042 0.000 1.057 178 L CA -2.087 52.812 54.840 0.097 0.000 0.803 178 L CB 1.124 43.214 42.059 0.052 0.000 1.207 178 L HN 0.600 nan 8.230 nan 0.000 0.445 179 P HA 0.534 nan 4.420 nan 0.000 0.285 179 P C -1.395 175.635 177.300 -0.450 0.000 1.269 179 P CA -0.375 62.462 63.100 -0.437 0.000 0.844 179 P CB 1.624 32.872 31.700 -0.753 0.000 1.094 180 F N -2.194 117.256 119.950 -0.833 0.000 2.713 180 F HA 0.798 5.325 4.527 0.000 0.000 0.311 180 F C -1.105 174.485 175.800 -0.350 0.000 1.141 180 F CA -0.856 56.863 58.000 -0.469 0.000 0.939 180 F CB 1.082 40.062 39.000 -0.032 0.000 1.325 180 F HN 0.542 nan 8.300 nan 0.000 0.453 181 G N 1.271 110.233 108.800 0.269 0.000 2.574 181 G HA2 0.691 4.651 3.960 -0.000 0.000 0.299 181 G HA3 0.691 4.651 3.960 -0.000 0.000 0.299 181 G C -2.323 172.855 174.900 0.463 0.000 1.298 181 G CA -1.176 44.117 45.100 0.321 0.000 0.952 181 G HN 0.827 nan 8.290 nan 0.000 0.477 182 L N 0.790 122.230 121.223 0.362 0.000 2.356 182 L HA 0.727 5.067 4.340 -0.000 0.000 0.277 182 L C 0.145 177.136 176.870 0.200 0.000 0.996 182 L CA -0.908 54.142 54.840 0.350 0.000 0.822 182 L CB 1.988 44.308 42.059 0.436 0.000 1.256 182 L HN 0.679 nan 8.230 nan 0.000 0.413 183 A N 3.757 126.679 122.820 0.170 0.000 2.365 183 A HA 0.794 5.114 4.320 -0.000 0.000 0.318 183 A C -1.029 176.749 177.584 0.324 0.000 1.091 183 A CA -0.451 51.690 52.037 0.173 0.000 0.763 183 A CB 2.062 21.028 19.000 -0.056 0.000 1.248 183 A HN 0.704 nan 8.150 nan 0.000 0.442 184 Q N 1.373 121.369 119.800 0.326 0.000 2.353 184 Q HA 0.647 4.987 4.340 -0.000 0.000 0.275 184 Q C -2.213 173.849 176.000 0.103 0.000 1.029 184 Q CA -0.507 55.471 55.803 0.292 0.000 0.848 184 Q CB 1.748 30.571 28.738 0.141 0.000 1.390 184 Q HN 0.701 nan 8.270 nan 0.000 0.401 185 I N 2.873 123.482 120.570 0.065 0.000 2.382 185 I HA 0.776 4.946 4.170 -0.000 0.000 0.286 185 I C 0.000 176.065 176.117 -0.087 0.000 1.002 185 I CA -0.547 60.683 61.300 -0.117 0.000 1.135 185 I CB 1.834 39.755 38.000 -0.132 0.000 1.288 185 I HN 0.746 nan 8.210 nan 0.000 0.448 186 G N 4.501 113.240 108.800 -0.103 0.000 2.623 186 G HA2 0.528 4.488 3.960 -0.000 0.000 0.290 186 G HA3 0.528 4.488 3.960 -0.000 0.000 0.290 186 G C -1.472 173.364 174.900 -0.106 0.000 1.437 186 G CA -0.532 44.516 45.100 -0.087 0.000 0.798 186 G HN 0.199 nan 8.290 nan 0.000 0.488 187 V N -0.312 119.548 119.914 -0.089 0.000 2.583 187 V HA 0.432 4.552 4.120 -0.000 0.000 0.287 187 V C 0.146 176.038 176.094 -0.336 0.000 1.051 187 V CA -0.191 61.994 62.300 -0.192 0.000 1.010 187 V CB 0.808 32.520 31.823 -0.184 0.000 0.988 187 V HN 0.839 nan 8.190 nan 0.000 0.478 188 C N 4.329 123.390 119.300 -0.397 0.000 2.667 188 C HA 0.745 5.205 4.460 -0.000 0.000 0.323 188 C C -0.539 174.131 174.990 -0.534 0.000 1.214 188 C CA -0.865 57.963 59.018 -0.317 0.000 1.721 188 C CB 1.520 29.226 27.740 -0.058 0.000 2.275 188 C HN 0.699 nan 8.230 nan 0.000 0.491 189 F N 1.971 121.930 119.950 0.014 0.000 2.495 189 F HA 0.508 5.035 4.527 -0.000 0.000 0.327 189 F C 0.579 176.351 175.800 -0.046 0.000 1.103 189 F CA -0.400 57.547 58.000 -0.089 0.000 0.949 189 F CB 0.974 39.918 39.000 -0.093 0.000 1.142 189 F HN 0.625 nan 8.300 nan 0.000 0.457 190 H N 0.794 119.915 119.070 0.086 0.000 2.744 190 H HA 0.461 5.017 4.556 -0.000 0.000 0.339 190 H C -3.325 171.995 175.328 -0.013 0.000 1.004 190 H CA -2.644 53.428 56.048 0.040 0.000 1.257 190 H CB 1.641 31.418 29.762 0.025 0.000 1.552 190 H HN 0.272 nan 8.280 nan 0.000 0.522 191 P HA 0.009 nan 4.420 nan 0.000 0.265 191 P C -0.202 177.168 177.300 0.117 0.000 1.193 191 P CA -0.204 62.912 63.100 0.027 0.000 0.765 191 P CB 1.012 32.804 31.700 0.152 0.000 0.823 192 V N 2.642 122.600 119.914 0.072 0.000 2.715 192 V HA 0.377 4.497 4.120 -0.000 0.000 0.310 192 V C 0.570 176.708 176.094 0.074 0.000 1.054 192 V CA -0.391 61.965 62.300 0.094 0.000 0.928 192 V CB 2.010 33.882 31.823 0.082 0.000 1.007 192 V HN 0.665 nan 8.190 nan 0.000 0.437 205 V N 2.497 122.222 119.914 -0.315 0.000 2.370 205 V HA 0.949 5.069 4.120 -0.000 0.000 0.283 205 V C 0.295 176.219 176.094 -0.284 0.000 1.023 205 V CA 0.269 62.334 62.300 -0.392 0.000 0.857 205 V CB 1.350 32.776 31.823 -0.662 0.000 0.985 205 V HN 0.785 nan 8.190 nan 0.000 0.443 206 G N 4.293 112.826 108.800 -0.446 0.000 2.503 206 G HA2 0.485 4.445 3.960 -0.000 0.000 0.257 206 G HA3 0.485 4.445 3.960 -0.000 0.000 0.257 206 G C -0.491 174.009 174.900 -0.667 0.000 1.214 206 G CA -0.442 44.312 45.100 -0.576 0.000 0.839 206 G HN 0.889 nan 8.290 nan 0.000 0.559 207 E N -0.298 119.687 120.200 -0.358 0.000 2.199 207 E HA 0.453 4.803 4.350 -0.000 0.000 0.269 207 E C -0.459 176.038 176.600 -0.172 0.000 0.899 207 E CA -0.726 55.478 56.400 -0.328 0.000 0.772 207 E CB 2.067 31.625 29.700 -0.236 0.000 1.155 207 E HN 0.607 nan 8.360 nan 0.000 0.408 208 K N 0.190 120.503 120.400 -0.146 0.000 2.498 208 K HA 0.423 4.743 4.320 -0.000 0.000 0.254 208 K C -1.203 175.367 176.600 -0.050 0.000 0.933 208 K CA -0.713 55.570 56.287 -0.006 0.000 0.806 208 K CB 1.832 34.408 32.500 0.126 0.000 1.301 208 K HN 0.161 nan 8.250 nan 0.000 0.432 209 T N 2.448 117.002 114.554 -0.001 0.000 2.729 209 T HA 0.119 4.469 4.350 -0.000 0.000 0.296 209 T C -0.822 173.854 174.700 -0.041 0.000 0.928 209 T CA -0.231 61.851 62.100 -0.029 0.000 1.045 209 T CB 0.523 69.391 68.868 0.000 0.000 0.902 209 T HN 0.642 nan 8.240 nan 0.000 0.500 210 E N 2.289 122.438 120.200 -0.085 0.000 2.191 210 E HA 0.608 4.958 4.350 -0.000 0.000 0.274 210 E C -0.979 175.480 176.600 -0.235 0.000 0.948 210 E CA -1.016 55.319 56.400 -0.108 0.000 0.802 210 E CB 1.006 30.667 29.700 -0.065 0.000 1.137 210 E HN 0.617 nan 8.360 nan 0.000 0.397 211 A N 3.473 126.063 122.820 -0.383 0.000 2.277 211 A HA 0.396 4.716 4.320 -0.000 0.000 0.318 211 A C -0.636 176.603 177.584 -0.575 0.000 1.339 211 A CA -0.550 50.960 52.037 -0.879 0.000 0.875 211 A CB 1.012 19.040 19.000 -1.620 0.000 1.158 211 A HN 0.412 nan 8.150 nan 0.000 0.514 212 S N 2.572 118.084 115.700 -0.313 0.000 2.482 212 S HA 0.685 5.155 4.470 -0.000 0.000 0.303 212 S C -1.037 173.666 174.600 0.172 0.000 1.091 212 S CA -0.514 57.681 58.200 -0.010 0.000 1.057 212 S CB 1.001 64.200 63.200 -0.001 0.000 1.031 212 S HN 1.184 nan 8.310 nan 0.000 0.485 213 L N 5.743 127.034 121.223 0.113 0.000 2.349 213 L HA 0.726 5.066 4.340 -0.000 0.000 0.278 213 L C -1.455 175.336 176.870 -0.131 0.000 0.996 213 L CA -0.413 54.408 54.840 -0.032 0.000 0.825 213 L CB 1.721 43.598 42.059 -0.303 0.000 1.243 213 L HN 0.504 nan 8.230 nan 0.000 0.412 214 V N 5.391 125.243 119.914 -0.103 0.000 2.347 214 V HA 0.310 4.430 4.120 -0.000 0.000 0.280 214 V C -0.731 175.133 176.094 -0.383 0.000 1.021 214 V CA -0.453 61.700 62.300 -0.246 0.000 0.847 214 V CB 1.357 33.063 31.823 -0.196 0.000 0.990 214 V HN 0.805 nan 8.190 nan 0.000 0.444 215 W N 6.385 127.276 121.300 -0.681 0.000 2.391 215 W HA 0.593 5.253 4.660 -0.000 0.000 0.311 215 W C -1.751 174.304 176.519 -0.774 0.000 1.087 215 W CA -0.833 56.142 57.345 -0.617 0.000 1.209 215 W CB 1.577 30.785 29.460 -0.420 0.000 1.273 215 W HN 0.438 nan 8.180 nan 0.000 0.482 216 F N 4.325 123.788 119.950 -0.811 0.000 2.388 216 F HA 0.398 4.925 4.527 0.000 0.000 0.358 216 F C 0.534 175.852 175.800 -0.803 0.000 1.122 216 F CA -0.398 57.175 58.000 -0.710 0.000 1.056 216 F CB 1.776 40.301 39.000 -0.791 0.000 1.155 216 F HN 0.001 nan 8.300 nan 0.000 0.461 217 T N 4.266 118.643 114.554 -0.295 0.000 2.894 217 T HA 0.455 4.805 4.350 -0.000 0.000 0.309 217 T C -2.976 171.738 174.700 0.024 0.000 1.208 217 T CA -2.106 59.888 62.100 -0.178 0.000 1.016 217 T CB 1.838 70.630 68.868 -0.126 0.000 1.192 217 T HN 0.154 nan 8.240 nan 0.000 0.491 218 P HA 0.132 nan 4.420 nan 0.000 0.266 218 P C 0.836 178.210 177.300 0.124 0.000 1.195 218 P CA 0.136 63.291 63.100 0.092 0.000 0.768 218 P CB 0.309 32.067 31.700 0.098 0.000 0.838 219 T N 2.372 116.986 114.554 0.099 0.000 2.721 219 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 219 T C 1.685 176.456 174.700 0.119 0.000 1.038 219 T CA 1.686 63.850 62.100 0.106 0.000 1.145 219 T CB -0.411 68.505 68.868 0.079 0.000 0.858 219 T HN 0.585 nan 8.240 nan 0.000 0.459 220 R N 1.633 122.197 120.500 0.107 0.000 2.241 220 R HA -0.069 4.271 4.340 -0.000 0.000 0.224 220 R C 1.681 178.052 176.300 0.118 0.000 1.101 220 R CA 1.736 57.894 56.100 0.097 0.000 0.995 220 R CB -0.574 29.772 30.300 0.076 0.000 0.870 220 R HN 0.526 nan 8.270 nan 0.000 0.463 221 T N -2.499 112.165 114.554 0.183 0.000 3.040 221 T HA 0.083 4.433 4.350 -0.000 0.000 0.266 221 T C 1.681 176.596 174.700 0.358 0.000 1.005 221 T CA 0.171 62.411 62.100 0.234 0.000 0.906 221 T CB 0.541 69.615 68.868 0.345 0.000 1.082 221 T HN 0.292 nan 8.240 nan 0.000 0.531 222 S N 1.938 117.824 115.700 0.310 0.000 2.370 222 S HA -0.156 4.314 4.470 -0.000 0.000 0.226 222 S C 2.171 176.951 174.600 0.299 0.000 1.033 222 S CA 1.508 59.909 58.200 0.336 0.000 1.011 222 S CB -1.030 62.306 63.200 0.226 0.000 0.852 222 S HN 0.405 nan 8.310 nan 0.000 0.457 223 S N 1.684 117.503 115.700 0.197 0.000 2.368 223 S HA -0.054 4.416 4.470 -0.000 0.000 0.224 223 S C 2.141 176.815 174.600 0.122 0.000 1.029 223 S CA 1.347 59.636 58.200 0.149 0.000 0.988 223 S CB -0.409 62.850 63.200 0.098 0.000 0.838 223 S HN 0.644 nan 8.310 nan 0.000 0.462 224 Q N -0.280 119.559 119.800 0.065 0.000 2.119 224 Q HA -0.032 4.308 4.340 -0.000 0.000 0.201 224 Q C 1.736 177.689 176.000 -0.078 0.000 0.972 224 Q CA 1.375 57.139 55.803 -0.064 0.000 0.847 224 Q CB -0.250 28.369 28.738 -0.199 0.000 0.903 224 Q HN 0.630 nan 8.270 nan 0.000 0.433 225 W N -0.099 121.249 121.300 0.080 0.000 2.381 225 W HA -0.103 4.557 4.660 -0.000 0.000 0.301 225 W C 1.845 178.457 176.519 0.155 0.000 1.205 225 W CA 0.166 57.535 57.345 0.039 0.000 1.285 225 W CB -0.211 29.388 29.460 0.233 0.000 1.133 225 W HN 0.179 nan 8.180 nan 0.000 0.521 226 L N 0.733 122.221 121.223 0.442 0.000 2.042 226 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 226 L C 1.775 178.802 176.870 0.261 0.000 1.076 226 L CA 2.445 57.501 54.840 0.360 0.000 0.749 226 L CB -1.109 41.102 42.059 0.253 0.000 0.893 226 L HN -0.085 nan 8.230 nan 0.000 0.432 227 D N -1.723 118.777 120.400 0.167 0.000 2.144 227 D HA -0.274 4.366 4.640 -0.000 0.000 0.199 227 D C 2.013 178.346 176.300 0.055 0.000 0.984 227 D CA 1.297 55.348 54.000 0.086 0.000 0.834 227 D CB -0.197 40.626 40.800 0.038 0.000 0.955 227 D HN 0.410 nan 8.370 nan 0.000 0.465 228 F N -0.574 119.291 119.950 -0.142 0.000 2.102 228 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 228 F C 1.614 177.285 175.800 -0.215 0.000 1.105 228 F CA 1.408 59.237 58.000 -0.285 0.000 1.239 228 F CB -0.620 38.048 39.000 -0.552 0.000 0.991 228 F HN 0.065 nan 8.300 nan 0.000 0.474 229 W N 0.091 121.498 121.300 0.179 0.000 2.363 229 W HA -0.155 4.505 4.660 -0.000 0.000 0.296 229 W C 2.261 178.762 176.519 -0.031 0.000 1.212 229 W CA 0.642 58.003 57.345 0.027 0.000 1.260 229 W CB -0.609 28.875 29.460 0.040 0.000 1.131 229 W HN 0.165 nan 8.180 nan 0.000 0.530 230 L N 1.278 122.622 121.223 0.201 0.000 1.989 230 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 230 L C 2.318 179.222 176.870 0.057 0.000 1.071 230 L CA 1.945 56.855 54.840 0.116 0.000 0.749 230 L CB -0.935 41.169 42.059 0.075 0.000 0.890 230 L HN -0.069 nan 8.230 nan 0.000 0.431 231 R N -1.483 118.994 120.500 -0.039 0.000 2.081 231 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 231 R C 2.426 178.646 176.300 -0.133 0.000 1.131 231 R CA 1.341 57.378 56.100 -0.105 0.000 0.960 231 R CB -0.853 29.335 30.300 -0.187 0.000 0.856 231 R HN 0.599 nan 8.270 nan 0.000 0.436 232 H N 0.950 119.818 119.070 -0.337 0.000 2.319 232 H HA -0.060 4.496 4.556 -0.000 0.000 0.299 232 H C 1.943 177.249 175.328 -0.036 0.000 1.092 232 H CA 1.543 57.407 56.048 -0.307 0.000 1.302 232 H CB 0.362 29.808 29.762 -0.527 0.000 1.373 232 H HN 0.027 nan 8.280 nan 0.000 0.497 233 R N 0.291 120.876 120.500 0.143 0.000 2.073 233 R HA -0.086 4.254 4.340 -0.000 0.000 0.229 233 R C 2.520 179.003 176.300 0.305 0.000 1.120 233 R CA 0.464 56.670 56.100 0.177 0.000 0.967 233 R CB -0.985 29.454 30.300 0.233 0.000 0.862 233 R HN 0.290 nan 8.270 nan 0.000 0.436 234 L N 1.215 122.588 121.223 0.251 0.000 2.083 234 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 234 L C 2.092 179.072 176.870 0.183 0.000 1.083 234 L CA 1.492 56.499 54.840 0.278 0.000 0.752 234 L CB -0.508 41.646 42.059 0.157 0.000 0.899 234 L HN 0.071 nan 8.230 nan 0.000 0.433 235 L N -2.272 118.979 121.223 0.048 0.000 2.141 235 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 235 L C 2.329 179.223 176.870 0.039 0.000 1.094 235 L CA 1.352 56.181 54.840 -0.019 0.000 0.763 235 L CB -0.620 41.269 42.059 -0.282 0.000 0.908 235 L HN 0.504 nan 8.230 nan 0.000 0.437 236 W N 0.166 121.349 121.300 -0.194 0.000 2.355 236 W HA -0.231 4.429 4.660 -0.000 0.000 0.309 236 W C 2.116 178.491 176.519 -0.241 0.000 1.206 236 W CA 1.357 58.530 57.345 -0.286 0.000 1.284 236 W CB -0.520 28.730 29.460 -0.349 0.000 1.145 236 W HN 0.048 nan 8.180 nan 0.000 0.502 237 W N 0.350 121.672 121.300 0.037 0.000 2.338 237 W HA -0.154 4.506 4.660 0.000 0.000 0.304 237 W C 2.632 178.738 176.519 -0.688 0.000 1.212 237 W CA 1.721 58.849 57.345 -0.363 0.000 1.264 237 W CB -0.712 28.494 29.460 -0.423 0.000 1.142 237 W HN -0.255 nan 8.180 nan 0.000 0.512 238 R N 0.860 121.202 120.500 -0.262 0.000 2.115 238 R HA -0.140 4.200 4.340 -0.000 0.000 0.230 238 R C 2.113 178.139 176.300 -0.457 0.000 1.111 238 R CA 1.627 57.534 56.100 -0.323 0.000 0.976 238 R CB -0.520 29.694 30.300 -0.145 0.000 0.870 238 R HN 0.305 nan 8.270 nan 0.000 0.445 239 K N -0.128 119.971 120.400 -0.502 0.000 2.360 239 K HA -0.100 4.220 4.320 -0.000 0.000 0.201 239 K C 0.753 176.810 176.600 -0.904 0.000 1.046 239 K CA 1.302 57.171 56.287 -0.697 0.000 0.945 239 K CB -0.002 31.982 32.500 -0.860 0.000 0.750 239 K HN 0.111 nan 8.250 nan 0.000 0.464 240 F N 1.349 120.992 119.950 -0.512 0.000 2.695 240 F HA 0.361 4.887 4.527 -0.000 0.000 0.303 240 F C 0.982 176.694 175.800 -0.147 0.000 1.091 240 F CA -0.729 56.941 58.000 -0.550 0.000 1.300 240 F CB 0.268 38.743 39.000 -0.875 0.000 1.071 240 F HN 0.007 nan 8.300 nan 0.000 0.578 241 A N 0.453 123.305 122.820 0.053 0.000 2.316 241 A HA 0.434 4.754 4.320 -0.000 0.000 0.284 241 A C 1.264 178.896 177.584 0.079 0.000 1.115 241 A CA -0.340 51.820 52.037 0.205 0.000 0.812 241 A CB 0.621 19.779 19.000 0.264 0.000 1.064 241 A HN 0.117 nan 8.150 nan 0.000 0.489 242 M N 0.730 120.433 119.600 0.172 0.000 2.287 242 M HA 0.045 4.525 4.480 -0.000 0.000 0.266 242 M C 0.500 176.850 176.300 0.084 0.000 1.079 242 M CA 1.236 56.615 55.300 0.132 0.000 1.146 242 M CB -0.691 32.002 32.600 0.155 0.000 1.374 242 M HN 0.555 nan 8.290 nan 0.000 0.435 243 S N 1.203 116.972 115.700 0.115 0.000 2.150 243 S HA 0.257 4.727 4.470 -0.000 0.000 0.171 243 S C -1.700 172.967 174.600 0.112 0.000 1.620 243 S CA -1.056 57.190 58.200 0.077 0.000 1.190 243 S CB 1.024 64.260 63.200 0.060 0.000 1.102 243 S HN 0.115 nan 8.310 nan 0.000 0.464 244 P HA -0.149 nan 4.420 nan 0.000 0.219 244 P C 1.541 178.919 177.300 0.129 0.000 1.146 244 P CA 1.093 64.228 63.100 0.059 0.000 0.808 244 P CB -0.088 31.419 31.700 -0.321 0.000 0.779 245 S N -1.189 114.539 115.700 0.048 0.000 2.507 245 S HA -0.075 4.395 4.470 -0.000 0.000 0.235 245 S C 1.681 176.249 174.600 -0.053 0.000 0.988 245 S CA 0.652 58.859 58.200 0.013 0.000 0.944 245 S CB -1.176 62.016 63.200 -0.014 0.000 0.762 245 S HN 0.024 nan 8.310 nan 0.000 0.526 246 N N 0.640 119.283 118.700 -0.096 0.000 2.521 246 N HA 0.215 4.955 4.740 -0.000 0.000 0.188 246 N C -0.975 174.220 175.510 -0.526 0.000 1.146 246 N CA 0.273 53.093 53.050 -0.383 0.000 0.893 246 N CB -0.241 37.938 38.487 -0.514 0.000 0.975 246 N HN 0.467 nan 8.380 nan 0.000 0.451 247 F N 0.541 120.434 119.950 -0.094 0.000 2.361 247 F HA 0.298 4.825 4.527 0.000 0.000 0.364 247 F C 0.763 176.536 175.800 -0.045 0.000 1.117 247 F CA -0.743 57.223 58.000 -0.057 0.000 1.071 247 F CB 1.038 40.043 39.000 0.008 0.000 1.188 247 F HN -0.202 nan 8.300 nan 0.000 0.464 248 S N 1.582 117.328 115.700 0.076 0.000 2.709 248 S HA 0.938 5.408 4.470 -0.000 0.000 0.302 248 S C -0.563 174.132 174.600 0.157 0.000 1.127 248 S CA -0.671 57.575 58.200 0.076 0.000 0.905 248 S CB 1.906 65.092 63.200 -0.022 0.000 1.151 248 S HN 0.527 nan 8.310 nan 0.000 0.510 249 S N -0.557 115.224 115.700 0.134 0.000 2.618 249 S HA 0.967 5.437 4.470 -0.000 0.000 0.277 249 S C -0.735 173.947 174.600 0.137 0.000 1.138 249 S CA -0.596 57.702 58.200 0.163 0.000 0.844 249 S CB 1.182 64.439 63.200 0.096 0.000 1.127 249 S HN 2.003 nan 8.310 nan 0.000 0.474 250 A N 0.678 123.593 122.820 0.157 0.000 2.612 250 A HA 0.717 5.037 4.320 -0.000 0.000 0.293 250 A C -1.824 175.803 177.584 0.071 0.000 1.075 250 A CA -0.799 51.303 52.037 0.109 0.000 0.680 250 A CB 0.953 20.035 19.000 0.137 0.000 1.279 250 A HN 0.719 nan 8.150 nan 0.000 0.411 251 D N 0.109 120.537 120.400 0.047 0.000 2.329 251 D HA 0.598 5.238 4.640 -0.000 0.000 0.246 251 D C 0.099 176.425 176.300 0.044 0.000 1.111 251 D CA 0.436 54.455 54.000 0.031 0.000 0.941 251 D CB 1.287 42.112 40.800 0.042 0.000 1.169 251 D HN 0.982 nan 8.370 nan 0.000 0.441 252 C N -0.269 119.053 119.300 0.036 0.000 3.318 252 C HA 0.798 5.258 4.460 -0.000 0.000 0.322 252 C C -1.132 174.010 174.990 0.253 0.000 1.398 252 C CA -0.862 58.221 59.018 0.107 0.000 1.339 252 C CB 1.478 29.241 27.740 0.039 0.000 1.668 252 C HN 0.654 nan 8.230 nan 0.000 0.462 253 Q N 0.898 120.912 119.800 0.357 0.000 2.345 253 Q HA 0.558 4.898 4.340 -0.000 0.000 0.275 253 Q C -1.422 174.754 176.000 0.294 0.000 1.063 253 Q CA -0.198 55.824 55.803 0.365 0.000 0.819 253 Q CB 2.277 31.126 28.738 0.185 0.000 1.356 253 Q HN 0.911 nan 8.270 nan 0.000 0.418 254 D N 0.837 121.261 120.400 0.040 0.000 2.506 254 D HA 0.022 4.662 4.640 -0.000 0.000 0.272 254 D C 0.433 176.681 176.300 -0.087 0.000 1.214 254 D CA -0.228 53.660 54.000 -0.187 0.000 1.067 254 D CB 0.460 40.868 40.800 -0.654 0.000 1.117 254 D HN 0.723 nan 8.370 nan 0.000 0.578 255 E N -1.059 119.079 120.200 -0.103 0.000 2.515 255 E HA -0.020 4.330 4.350 -0.000 0.000 0.201 255 E C 1.011 177.574 176.600 -0.062 0.000 1.071 255 E CA 0.320 56.685 56.400 -0.058 0.000 0.880 255 E CB -0.270 29.398 29.700 -0.054 0.000 0.828 255 E HN 0.182 nan 8.360 nan 0.000 0.540 256 L N -0.188 120.982 121.223 -0.089 0.000 2.693 256 L HA 0.348 4.688 4.340 -0.000 0.000 0.235 256 L C 1.363 178.211 176.870 -0.037 0.000 1.127 256 L CA 0.770 55.569 54.840 -0.068 0.000 0.914 256 L CB 0.838 42.838 42.059 -0.097 0.000 1.193 256 L HN 0.334 nan 8.230 nan 0.000 0.502 257 G N -0.007 108.780 108.800 -0.022 0.000 2.159 257 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.256 257 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.256 257 G C 0.587 175.509 174.900 0.038 0.000 0.977 257 G CA -0.127 44.983 45.100 0.016 0.000 0.652 257 G HN 0.309 nan 8.290 nan 0.000 0.531 258 R N 0.190 120.697 120.500 0.012 0.000 2.438 258 R HA 0.450 4.790 4.340 -0.000 0.000 0.287 258 R C 0.432 176.856 176.300 0.206 0.000 1.077 258 R CA -0.263 55.874 56.100 0.062 0.000 1.034 258 R CB 0.617 30.905 30.300 -0.020 0.000 0.993 258 R HN 0.128 nan 8.270 nan 0.000 0.459 259 K N 0.617 121.156 120.400 0.232 0.000 2.202 259 K HA 0.439 4.759 4.320 -0.000 0.000 0.264 259 K C 0.219 177.058 176.600 0.399 0.000 1.010 259 K CA 0.329 56.781 56.287 0.276 0.000 0.940 259 K CB 1.434 34.038 32.500 0.174 0.000 0.983 259 K HN 0.792 nan 8.250 nan 0.000 0.475 260 G N -0.629 108.315 108.800 0.241 0.000 2.428 260 G HA2 0.489 4.449 3.960 -0.000 0.000 0.304 260 G HA3 0.489 4.449 3.960 -0.000 0.000 0.304 260 G C -1.402 173.384 174.900 -0.190 0.000 1.303 260 G CA -0.585 44.494 45.100 -0.035 0.000 0.825 260 G HN 0.485 nan 8.290 nan 0.000 0.484 261 S N -1.064 114.418 115.700 -0.363 0.000 2.638 261 S HA 0.764 5.234 4.470 -0.000 0.000 0.274 261 S C -1.195 173.208 174.600 -0.328 0.000 1.157 261 S CA -0.756 57.305 58.200 -0.231 0.000 0.826 261 S CB 2.251 65.398 63.200 -0.089 0.000 1.139 261 S HN 0.620 nan 8.310 nan 0.000 0.474 262 K N 1.188 121.465 120.400 -0.205 0.000 2.464 262 K HA 0.599 4.919 4.320 -0.000 0.000 0.253 262 K C -1.556 174.888 176.600 -0.260 0.000 0.933 262 K CA -0.606 55.491 56.287 -0.316 0.000 0.801 262 K CB 1.886 34.124 32.500 -0.436 0.000 1.271 262 K HN 0.419 nan 8.250 nan 0.000 0.430 263 L N 2.882 123.913 121.223 -0.320 0.000 2.329 263 L HA 0.553 4.893 4.340 -0.000 0.000 0.279 263 L C -1.029 175.619 176.870 -0.371 0.000 1.014 263 L CA -0.999 53.742 54.840 -0.165 0.000 0.814 263 L CB 0.625 42.668 42.059 -0.026 0.000 1.257 263 L HN 0.525 nan 8.230 nan 0.000 0.424 264 Y N 1.013 121.247 120.300 -0.109 0.000 2.562 264 Y HA 0.504 5.054 4.550 0.000 0.000 0.343 264 Y C -0.697 175.036 175.900 -0.278 0.000 1.025 264 Y CA -0.793 57.207 58.100 -0.166 0.000 1.082 264 Y CB 1.944 40.308 38.460 -0.160 0.000 1.264 264 Y HN 0.357 nan 8.280 nan 0.000 0.478 265 Y N -0.290 119.792 120.300 -0.364 0.000 2.446 265 Y HA 0.552 5.102 4.550 0.000 0.000 0.345 265 Y C -0.525 174.924 175.900 -0.752 0.000 0.984 265 Y CA -1.230 56.356 58.100 -0.857 0.000 1.058 265 Y CB 1.950 39.666 38.460 -1.239 0.000 1.220 265 Y HN 0.527 nan 8.280 nan 0.000 0.455 266 S N 6.845 121.467 115.700 -1.797 0.000 3.036 266 S HA 0.293 4.763 4.470 -0.000 0.000 0.301 266 S C -0.684 173.046 174.600 -1.449 0.000 1.205 266 S CA -0.336 57.099 58.200 -1.274 0.000 0.999 266 S CB -1.075 61.595 63.200 -0.882 0.000 1.337 266 S HN 0.449 nan 8.310 nan 0.000 0.515 267 F N 3.065 122.357 119.950 -1.098 0.000 2.403 267 F HA 0.270 4.797 4.527 -0.000 0.000 0.320 267 F C -1.076 174.098 175.800 -1.043 0.000 1.176 267 F CA -1.869 55.379 58.000 -1.254 0.000 1.206 267 F CB -0.036 37.687 39.000 -2.127 0.000 1.235 267 F HN 0.315 nan 8.300 nan 0.000 0.565 268 P HA -0.175 nan 4.420 nan 0.000 0.219 268 P C 0.816 178.047 177.300 -0.115 0.000 1.146 268 P CA 1.588 64.538 63.100 -0.249 0.000 0.808 268 P CB -0.172 31.510 31.700 -0.029 0.000 0.779 269 W N -1.225 120.035 121.300 -0.068 0.000 3.197 269 W HA 0.544 5.204 4.660 -0.000 0.000 0.274 269 W C 0.471 176.955 176.519 -0.058 0.000 1.297 269 W CA 0.502 57.811 57.345 -0.061 0.000 1.662 269 W CB -0.240 29.175 29.460 -0.074 0.000 1.106 269 W HN 0.004 nan 8.180 nan 0.000 0.663 270 G N 0.507 109.101 108.800 -0.342 0.000 2.362 270 G HA2 0.070 4.030 3.960 -0.000 0.000 0.288 270 G HA3 0.070 4.030 3.960 -0.000 0.000 0.288 270 G C -1.416 173.289 174.900 -0.326 0.000 1.305 270 G CA -1.391 43.578 45.100 -0.217 0.000 0.910 270 G HN 0.015 nan 8.290 nan 0.000 0.518 271 K N 0.561 120.844 120.400 -0.196 0.000 2.174 271 K HA 0.548 4.868 4.320 -0.000 0.000 0.275 271 K C -0.658 175.994 176.600 0.087 0.000 1.015 271 K CA -0.349 55.844 56.287 -0.157 0.000 0.933 271 K CB 1.120 33.468 32.500 -0.255 0.000 1.025 271 K HN 0.401 nan 8.250 nan 0.000 0.463 272 E N 2.978 123.311 120.200 0.222 0.000 2.292 272 E HA 0.263 4.613 4.350 -0.000 0.000 0.272 272 E C -2.628 174.122 176.600 0.249 0.000 0.881 272 E CA -2.210 54.381 56.400 0.319 0.000 0.754 272 E CB 1.995 31.948 29.700 0.422 0.000 1.201 272 E HN 0.361 nan 8.360 nan 0.000 0.425 273 P HA 0.191 nan 4.420 nan 0.000 0.276 273 P C 0.626 177.843 177.300 -0.138 0.000 1.243 273 P CA -0.009 62.916 63.100 -0.291 0.000 0.768 273 P CB 0.515 32.015 31.700 -0.332 0.000 0.856 274 I N -0.431 120.017 120.570 -0.204 0.000 4.139 274 I HA 0.459 4.629 4.170 -0.000 0.000 0.335 274 I C 0.240 176.337 176.117 -0.034 0.000 1.327 274 I CA -0.001 61.222 61.300 -0.128 0.000 1.112 274 I CB 0.462 38.252 38.000 -0.349 0.000 1.058 274 I HN 0.216 nan 8.210 nan 0.000 0.396 275 E N 1.510 121.657 120.200 -0.089 0.000 2.381 275 E HA 0.405 4.755 4.350 -0.000 0.000 0.286 275 E C -1.103 175.427 176.600 -0.117 0.000 0.960 275 E CA -0.520 55.891 56.400 0.018 0.000 0.793 275 E CB 1.841 31.684 29.700 0.239 0.000 1.225 275 E HN 0.271 nan 8.360 nan 0.000 0.420 276 T N 1.286 115.769 114.554 -0.119 0.000 2.886 276 T HA 0.702 5.052 4.350 -0.000 0.000 0.292 276 T C -1.090 173.422 174.700 -0.313 0.000 1.012 276 T CA -0.755 61.165 62.100 -0.299 0.000 0.982 276 T CB 0.799 69.475 68.868 -0.319 0.000 1.018 276 T HN 0.220 nan 8.240 nan 0.000 0.451 277 L N 2.863 123.816 121.223 -0.450 0.000 2.341 277 L HA 0.732 5.072 4.340 -0.000 0.000 0.278 277 L C -0.968 175.660 176.870 -0.403 0.000 1.005 277 L CA -0.445 54.232 54.840 -0.272 0.000 0.818 277 L CB 1.650 43.651 42.059 -0.098 0.000 1.259 277 L HN 0.753 nan 8.230 nan 0.000 0.418 278 W N 1.820 123.142 121.300 0.037 0.000 2.915 278 W HA 0.425 5.085 4.660 -0.000 0.000 0.337 278 W C -0.059 176.488 176.519 0.046 0.000 1.102 278 W CA -0.621 56.747 57.345 0.038 0.000 1.224 278 W CB 1.639 31.111 29.460 0.021 0.000 1.416 278 W HN 0.326 nan 8.180 nan 0.000 0.503 279 N N 3.408 122.331 118.700 0.372 0.000 2.500 279 N HA 0.207 4.947 4.740 -0.000 0.000 0.236 279 N C 0.101 175.721 175.510 0.184 0.000 1.022 279 N CA -0.010 53.181 53.050 0.235 0.000 0.935 279 N CB 0.754 39.366 38.487 0.208 0.000 1.147 279 N HN 0.588 nan 8.380 nan 0.000 0.512 280 L N 2.263 123.561 121.223 0.125 0.000 2.492 280 L HA 0.246 4.586 4.340 -0.000 0.000 0.223 280 L C 1.558 178.445 176.870 0.029 0.000 1.132 280 L CA 0.389 55.257 54.840 0.047 0.000 0.850 280 L CB -0.686 41.384 42.059 0.018 0.000 0.966 280 L HN 0.715 nan 8.230 nan 0.000 0.454 281 G N 1.838 110.667 108.800 0.049 0.000 2.525 281 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.248 281 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.248 281 G C 0.018 174.935 174.900 0.028 0.000 1.238 281 G CA 0.257 45.382 45.100 0.041 0.000 0.926 281 G HN 0.449 nan 8.290 nan 0.000 0.574 282 D N -0.733 119.682 120.400 0.026 0.000 2.469 282 D HA 0.144 4.784 4.640 -0.000 0.000 0.213 282 D C 1.713 178.034 176.300 0.035 0.000 1.135 282 D CA 1.049 55.064 54.000 0.025 0.000 0.834 282 D CB -0.120 40.693 40.800 0.022 0.000 1.009 282 D HN 0.685 nan 8.370 nan 0.000 0.507 283 Q N 0.707 120.523 119.800 0.028 0.000 2.028 283 Q HA -0.322 4.018 4.340 -0.000 0.000 0.213 283 Q C 1.249 177.284 176.000 0.058 0.000 1.017 283 Q CA 2.505 58.326 55.803 0.030 0.000 0.875 283 Q CB 0.070 28.806 28.738 -0.003 0.000 0.962 283 Q HN 0.224 nan 8.270 nan 0.000 0.413 284 E N 0.097 120.323 120.200 0.044 0.000 2.110 284 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 284 E C 1.735 178.417 176.600 0.137 0.000 0.988 284 E CA 0.970 57.416 56.400 0.078 0.000 0.804 284 E CB -0.219 29.514 29.700 0.055 0.000 0.745 284 E HN 0.284 nan 8.360 nan 0.000 0.458 285 L N 0.294 121.584 121.223 0.111 0.000 2.017 285 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 285 L C 1.896 178.874 176.870 0.180 0.000 1.073 285 L CA 1.595 56.514 54.840 0.131 0.000 0.745 285 L CB -0.435 41.637 42.059 0.021 0.000 0.894 285 L HN 0.166 nan 8.230 nan 0.000 0.432 286 L N -1.206 120.096 121.223 0.131 0.000 2.042 286 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 286 L C 2.603 179.553 176.870 0.133 0.000 1.076 286 L CA 1.667 56.583 54.840 0.128 0.000 0.749 286 L CB -0.782 41.331 42.059 0.090 0.000 0.893 286 L HN 0.459 nan 8.230 nan 0.000 0.432 287 H N -0.488 118.611 119.070 0.049 0.000 2.457 287 H HA -0.130 4.426 4.556 0.000 0.000 0.294 287 H C 2.110 177.440 175.328 0.003 0.000 1.064 287 H CA 1.835 57.898 56.048 0.024 0.000 1.330 287 H CB 0.176 29.945 29.762 0.012 0.000 1.395 287 H HN 0.115 nan 8.280 nan 0.000 0.541 288 T N -0.646 113.942 114.554 0.057 0.000 2.904 288 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 288 T C -0.324 174.129 174.700 -0.412 0.000 1.059 288 T CA 0.938 62.944 62.100 -0.157 0.000 1.137 288 T CB -0.079 68.689 68.868 -0.168 0.000 0.879 288 T HN 0.306 nan 8.240 nan 0.000 0.467 289 Y N 2.020 122.321 120.300 0.002 0.000 2.747 289 Y HA 0.330 4.880 4.550 -0.000 0.000 0.362 289 Y C -2.360 173.526 175.900 -0.024 0.000 1.026 289 Y CA -3.209 54.888 58.100 -0.006 0.000 1.135 289 Y CB 0.458 38.931 38.460 0.021 0.000 1.175 289 Y HN 0.060 nan 8.280 nan 0.000 0.643 290 P HA 0.308 nan 4.420 nan 0.000 0.270 290 P C 0.675 177.996 177.300 0.035 0.000 1.223 290 P CA 0.661 63.762 63.100 0.001 0.000 0.785 290 P CB 1.303 32.961 31.700 -0.069 0.000 0.923 291 G N 0.943 109.757 108.800 0.024 0.000 2.610 291 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.304 291 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.304 291 G C -0.428 174.490 174.900 0.030 0.000 1.309 291 G CA -0.280 44.834 45.100 0.024 0.000 0.906 291 G HN 0.932 nan 8.290 nan 0.000 0.521 292 N N -0.740 117.973 118.700 0.022 0.000 2.412 292 N HA 0.231 4.971 4.740 -0.000 0.000 0.258 292 N C 1.654 177.176 175.510 0.019 0.000 1.236 292 N CA 0.827 53.888 53.050 0.017 0.000 0.882 292 N CB 1.260 39.753 38.487 0.010 0.000 1.066 292 N HN 1.659 nan 8.380 nan 0.000 0.465 293 V N 1.180 121.104 119.914 0.017 0.000 3.573 293 V HA -0.035 4.085 4.120 -0.000 0.000 0.270 293 V C 1.924 178.015 176.094 -0.005 0.000 1.221 293 V CA 0.981 63.288 62.300 0.012 0.000 1.163 293 V CB -1.235 30.598 31.823 0.017 0.000 0.847 293 V HN 0.781 nan 8.190 nan 0.000 0.468 294 S N 2.465 118.160 115.700 -0.007 0.000 2.407 294 S HA -0.303 4.167 4.470 -0.000 0.000 0.235 294 S C 1.979 176.558 174.600 -0.035 0.000 1.036 294 S CA 2.337 60.527 58.200 -0.017 0.000 1.013 294 S CB -1.484 61.707 63.200 -0.015 0.000 0.820 294 S HN 0.907 nan 8.310 nan 0.000 0.476 295 T N 1.146 115.671 114.554 -0.048 0.000 2.985 295 T HA 0.151 4.501 4.350 -0.000 0.000 0.266 295 T C 1.827 176.449 174.700 -0.131 0.000 1.076 295 T CA 0.874 62.921 62.100 -0.088 0.000 1.135 295 T CB -0.849 67.967 68.868 -0.088 0.000 0.890 295 T HN 0.797 nan 8.240 nan 0.000 0.480 296 I N -1.790 118.718 120.570 -0.103 0.000 3.883 296 I HA 0.338 4.508 4.170 -0.000 0.000 0.326 296 I C 0.609 176.775 176.117 0.083 0.000 1.283 296 I CA -0.667 60.615 61.300 -0.029 0.000 1.161 296 I CB -0.388 37.555 38.000 -0.096 0.000 1.012 296 I HN 0.022 nan 8.210 nan 0.000 0.421 297 Q N 2.615 122.425 119.800 0.017 0.000 2.313 297 Q HA 0.440 4.780 4.340 -0.000 0.000 0.266 297 Q C 0.362 176.382 176.000 0.033 0.000 0.989 297 Q CA 0.063 55.886 55.803 0.032 0.000 0.890 297 Q CB 1.453 30.196 28.738 0.009 0.000 1.200 297 Q HN 0.579 nan 8.270 nan 0.000 0.396 298 G N 2.169 111.010 108.800 0.068 0.000 2.601 298 G HA2 0.551 4.511 3.960 -0.000 0.000 0.317 298 G HA3 0.551 4.511 3.960 -0.000 0.000 0.317 298 G C -0.948 173.976 174.900 0.039 0.000 1.246 298 G CA -0.787 44.350 45.100 0.061 0.000 1.012 298 G HN 0.527 nan 8.290 nan 0.000 0.494 299 R N 0.122 120.641 120.500 0.032 0.000 2.294 299 R HA 0.331 4.671 4.340 -0.000 0.000 0.319 299 R C -1.284 175.041 176.300 0.040 0.000 0.984 299 R CA -0.538 55.578 56.100 0.026 0.000 0.861 299 R CB 1.629 31.935 30.300 0.010 0.000 1.104 299 R HN 0.434 nan 8.270 nan 0.000 0.451 300 D N 2.855 123.280 120.400 0.041 0.000 2.458 300 D HA 0.277 4.917 4.640 -0.000 0.000 0.258 300 D C 0.963 177.288 176.300 0.042 0.000 1.134 300 D CA 0.455 54.485 54.000 0.051 0.000 0.915 300 D CB 0.639 41.472 40.800 0.055 0.000 1.028 300 D HN 0.666 nan 8.370 nan 0.000 0.508 301 G N 4.571 113.395 108.800 0.040 0.000 2.889 301 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.308 301 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.308 301 G C 1.057 175.970 174.900 0.022 0.000 1.248 301 G CA 0.543 45.662 45.100 0.032 0.000 0.982 301 G HN 0.569 nan 8.290 nan 0.000 0.571 302 R N 1.429 121.941 120.500 0.020 0.000 2.250 302 R HA 0.243 4.583 4.340 -0.000 0.000 0.194 302 R C 0.703 177.012 176.300 0.014 0.000 0.927 302 R CA 0.786 56.894 56.100 0.014 0.000 1.052 302 R CB 0.023 30.331 30.300 0.013 0.000 1.055 302 R HN 0.565 nan 8.270 nan 0.000 0.537 303 K N 1.278 121.690 120.400 0.019 0.000 2.185 303 K HA 0.193 4.513 4.320 -0.000 0.000 0.271 303 K C -0.715 175.897 176.600 0.020 0.000 1.013 303 K CA -0.525 55.773 56.287 0.019 0.000 0.943 303 K CB 0.621 33.135 32.500 0.024 0.000 0.998 303 K HN -0.043 nan 8.250 nan 0.000 0.468 304 N N 2.005 120.715 118.700 0.016 0.000 2.437 304 N HA 0.231 4.971 4.740 -0.000 0.000 0.259 304 N C -0.830 174.693 175.510 0.021 0.000 0.983 304 N CA -0.395 52.664 53.050 0.015 0.000 0.937 304 N CB 1.679 40.170 38.487 0.006 0.000 1.122 304 N HN 0.498 nan 8.380 nan 0.000 0.499 305 V N -0.472 119.459 119.914 0.029 0.000 3.007 305 V HA 0.543 4.663 4.120 -0.000 0.000 0.311 305 V C -0.194 175.923 176.094 0.038 0.000 1.120 305 V CA -0.895 61.425 62.300 0.033 0.000 0.980 305 V CB 1.749 33.595 31.823 0.038 0.000 1.033 305 V HN 0.155 nan 8.190 nan 0.000 0.429 306 V N 5.439 125.371 119.914 0.030 0.000 2.455 306 V HA 0.351 4.471 4.120 -0.000 0.000 0.273 306 V C -1.586 174.520 176.094 0.020 0.000 1.045 306 V CA -0.839 61.473 62.300 0.020 0.000 0.976 306 V CB 0.930 32.759 31.823 0.011 0.000 0.993 306 V HN 0.982 nan 8.190 nan 0.000 0.475 307 P HA 0.139 nan 4.420 nan 0.000 0.274 307 P C -0.367 176.945 177.300 0.020 0.000 1.246 307 P CA -0.368 62.747 63.100 0.026 0.000 0.795 307 P CB 0.830 32.556 31.700 0.044 0.000 1.006 308 C N 2.265 121.585 119.300 0.033 0.000 2.405 308 C HA 0.601 5.061 4.460 -0.000 0.000 0.365 308 C C 0.189 175.181 174.990 0.002 0.000 1.233 308 C CA -0.360 58.681 59.018 0.037 0.000 2.230 308 C CB -0.018 27.765 27.740 0.072 0.000 2.443 308 C HN 0.491 nan 8.230 nan 0.000 0.556 309 V N 7.375 127.275 119.914 -0.025 0.000 2.555 309 V HA 0.695 4.815 4.120 -0.000 0.000 0.302 309 V C -0.898 175.156 176.094 -0.066 0.000 1.038 309 V CA -0.522 61.684 62.300 -0.158 0.000 0.887 309 V CB 1.593 33.270 31.823 -0.244 0.000 0.991 309 V HN 0.901 nan 8.190 nan 0.000 0.434 310 L N 5.020 126.198 121.223 -0.075 0.000 2.322 310 L HA 0.620 4.960 4.340 -0.000 0.000 0.281 310 L C 0.136 176.979 176.870 -0.045 0.000 1.014 310 L CA -0.377 54.491 54.840 0.046 0.000 0.815 310 L CB 1.900 44.065 42.059 0.176 0.000 1.247 310 L HN 0.782 nan 8.230 nan 0.000 0.421 311 S N 2.308 118.031 115.700 0.038 0.000 2.437 311 S HA 0.655 5.125 4.470 -0.000 0.000 0.305 311 S C -0.696 173.911 174.600 0.012 0.000 1.109 311 S CA -0.478 57.737 58.200 0.026 0.000 1.099 311 S CB 1.133 64.414 63.200 0.134 0.000 1.004 311 S HN 0.316 nan 8.310 nan 0.000 0.475 312 V N 4.818 124.692 119.914 -0.067 0.000 2.380 312 V HA 0.600 4.720 4.120 -0.000 0.000 0.286 312 V C -0.245 175.849 176.094 0.001 0.000 1.015 312 V CA -0.623 61.632 62.300 -0.074 0.000 0.834 312 V CB 1.203 32.887 31.823 -0.232 0.000 1.009 312 V HN 0.846 nan 8.190 nan 0.000 0.428 313 S N 4.094 119.811 115.700 0.029 0.000 2.647 313 S HA 0.839 5.309 4.470 -0.000 0.000 0.300 313 S C -0.139 174.500 174.600 0.065 0.000 1.129 313 S CA -0.034 58.190 58.200 0.040 0.000 1.029 313 S CB 1.600 64.826 63.200 0.043 0.000 1.007 313 S HN 0.988 nan 8.310 nan 0.000 0.484 314 G N 1.606 110.443 108.800 0.063 0.000 2.432 314 G HA2 0.480 4.440 3.960 -0.000 0.000 0.331 314 G HA3 0.480 4.440 3.960 -0.000 0.000 0.331 314 G C -1.302 173.663 174.900 0.108 0.000 1.170 314 G CA -0.545 44.660 45.100 0.174 0.000 0.943 314 G HN 0.680 nan 8.290 nan 0.000 0.483 315 D N 1.792 122.308 120.400 0.192 0.000 2.456 315 D HA 0.177 4.817 4.640 -0.000 0.000 0.219 315 D C 1.535 177.986 176.300 0.252 0.000 1.126 315 D CA -0.537 53.555 54.000 0.153 0.000 0.890 315 D CB 1.461 42.334 40.800 0.122 0.000 1.025 315 D HN -0.021 nan 8.370 nan 0.000 0.511 316 V N 3.461 123.480 119.914 0.176 0.000 2.490 316 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 316 V C 1.717 177.958 176.094 0.245 0.000 1.061 316 V CA 1.370 63.798 62.300 0.214 0.000 1.064 316 V CB -0.231 31.623 31.823 0.052 0.000 0.670 316 V HN 0.476 nan 8.190 nan 0.000 0.461 317 D N -0.031 120.515 120.400 0.244 0.000 2.091 317 D HA -0.100 4.540 4.640 -0.000 0.000 0.199 317 D C 2.010 178.557 176.300 0.413 0.000 0.980 317 D CA 0.921 55.151 54.000 0.383 0.000 0.831 317 D CB -0.267 40.749 40.800 0.361 0.000 0.987 317 D HN 0.295 nan 8.370 nan 0.000 0.460 318 L N 1.145 122.551 121.223 0.306 0.000 2.083 318 L HA -0.015 4.325 4.340 -0.000 0.000 0.209 318 L C 2.264 179.325 176.870 0.318 0.000 1.083 318 L CA 1.758 56.784 54.840 0.309 0.000 0.752 318 L CB -1.029 41.169 42.059 0.232 0.000 0.899 318 L HN 0.069 nan 8.230 nan 0.000 0.433 319 G N -2.389 106.593 108.800 0.304 0.000 2.422 319 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 319 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 319 G C 1.480 176.590 174.900 0.351 0.000 1.146 319 G CA 1.174 46.472 45.100 0.331 0.000 0.769 319 G HN 0.407 nan 8.290 nan 0.000 0.547 320 T N 1.328 116.097 114.554 0.358 0.000 2.708 320 T HA -0.027 4.323 4.350 -0.000 0.000 0.266 320 T C 2.429 177.322 174.700 0.323 0.000 1.037 320 T CA 0.869 63.134 62.100 0.275 0.000 1.146 320 T CB -0.203 68.638 68.868 -0.044 0.000 0.865 320 T HN 0.154 nan 8.240 nan 0.000 0.435 321 L N 0.753 122.235 121.223 0.431 0.000 2.083 321 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 321 L C 3.037 180.178 176.870 0.450 0.000 1.083 321 L CA 1.166 56.306 54.840 0.499 0.000 0.752 321 L CB -0.679 41.717 42.059 0.561 0.000 0.899 321 L HN 0.241 nan 8.230 nan 0.000 0.433 322 A N -0.635 122.273 122.820 0.146 0.000 1.908 322 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 322 A C 2.031 179.249 177.584 -0.610 0.000 1.181 322 A CA 1.574 53.164 52.037 -0.745 0.000 0.627 322 A CB -0.827 17.368 19.000 -1.342 0.000 0.818 322 A HN 0.366 nan 8.150 nan 0.000 0.445 323 Y N -0.109 120.147 120.300 -0.074 0.000 2.293 323 Y HA -0.047 4.503 4.550 0.000 0.000 0.291 323 Y C 2.139 178.043 175.900 0.007 0.000 1.137 323 Y CA 0.952 59.055 58.100 0.004 0.000 1.202 323 Y CB -0.460 38.029 38.460 0.047 0.000 0.990 323 Y HN 0.194 nan 8.280 nan 0.000 0.537 324 L N -2.024 119.287 121.223 0.146 0.000 2.027 324 L HA -0.254 4.086 4.340 -0.000 0.000 0.206 324 L C 2.000 178.876 176.870 0.010 0.000 1.074 324 L CA 1.425 56.264 54.840 -0.003 0.000 0.745 324 L CB -0.701 41.319 42.059 -0.066 0.000 0.898 324 L HN 0.170 nan 8.230 nan 0.000 0.433 325 Y N -0.063 120.269 120.300 0.054 0.000 2.200 325 Y HA -0.296 4.254 4.550 0.000 0.000 0.290 325 Y C 2.403 178.381 175.900 0.130 0.000 1.137 325 Y CA 1.865 60.021 58.100 0.092 0.000 1.163 325 Y CB -0.335 38.220 38.460 0.158 0.000 0.988 325 Y HN 0.274 nan 8.280 nan 0.000 0.518 326 D N -0.700 119.841 120.400 0.234 0.000 2.218 326 D HA -0.160 4.480 4.640 -0.000 0.000 0.204 326 D C 2.037 178.470 176.300 0.221 0.000 0.976 326 D CA 1.433 55.570 54.000 0.227 0.000 0.853 326 D CB -0.113 40.796 40.800 0.183 0.000 0.939 326 D HN 0.276 nan 8.370 nan 0.000 0.481 327 S N -1.084 114.735 115.700 0.199 0.000 2.496 327 S HA -0.025 4.445 4.470 -0.000 0.000 0.224 327 S C 0.676 175.371 174.600 0.159 0.000 0.996 327 S CA -0.606 57.686 58.200 0.154 0.000 0.927 327 S CB -0.586 62.670 63.200 0.093 0.000 0.774 327 S HN 0.225 nan 8.310 nan 0.000 0.524 328 F N 3.546 123.511 119.950 0.025 0.000 2.543 328 F HA 0.351 4.878 4.527 -0.000 0.000 0.375 328 F C 0.353 176.171 175.800 0.030 0.000 1.075 328 F CA -0.079 57.928 58.000 0.011 0.000 1.225 328 F CB 0.292 39.301 39.000 0.015 0.000 1.099 328 F HN 0.235 nan 8.300 nan 0.000 0.561 329 Q N 6.627 126.079 119.800 -0.580 0.000 2.345 329 Q HA 0.540 4.880 4.340 -0.000 0.000 0.275 329 Q C -1.718 173.890 176.000 -0.653 0.000 1.063 329 Q CA -1.082 54.438 55.803 -0.472 0.000 0.819 329 Q CB 3.237 31.856 28.738 -0.198 0.000 1.356 329 Q HN 0.755 nan 8.270 nan 0.000 0.418 330 L N 0.745 121.688 121.223 -0.465 0.000 2.350 330 L HA 0.947 5.287 4.340 -0.000 0.000 0.260 330 L C -1.783 174.995 176.870 -0.154 0.000 1.015 330 L CA -0.493 54.149 54.840 -0.329 0.000 0.821 330 L CB 2.188 44.073 42.059 -0.291 0.000 1.370 330 L HN 0.806 nan 8.230 nan 0.000 0.416 331 A N 2.879 125.642 122.820 -0.095 0.000 2.437 331 A HA 0.629 4.949 4.320 -0.000 0.000 0.293 331 A C -1.352 176.221 177.584 -0.018 0.000 1.038 331 A CA -0.547 51.459 52.037 -0.050 0.000 0.708 331 A CB 1.342 20.313 19.000 -0.048 0.000 1.251 331 A HN 0.681 nan 8.150 nan 0.000 0.409 332 E N 1.096 121.295 120.200 -0.003 0.000 2.202 332 E HA 0.480 4.830 4.350 -0.000 0.000 0.272 332 E C -1.255 175.364 176.600 0.032 0.000 0.951 332 E CA -0.822 55.589 56.400 0.019 0.000 0.813 332 E CB 1.893 31.606 29.700 0.022 0.000 1.151 332 E HN 0.514 nan 8.360 nan 0.000 0.398 333 N N 0.551 119.286 118.700 0.058 0.000 2.572 333 N HA 0.022 4.762 4.740 -0.000 0.000 0.287 333 N C -0.316 175.270 175.510 0.128 0.000 1.136 333 N CA -0.165 52.943 53.050 0.097 0.000 0.900 333 N CB 1.483 40.040 38.487 0.116 0.000 1.484 333 N HN 0.356 nan 8.380 nan 0.000 0.526 334 S N 2.371 118.141 115.700 0.117 0.000 2.558 334 S HA -0.037 4.433 4.470 -0.000 0.000 0.217 334 S C 1.719 176.378 174.600 0.100 0.000 0.975 334 S CA -0.206 58.046 58.200 0.086 0.000 0.912 334 S CB -0.555 62.678 63.200 0.056 0.000 0.776 334 S HN 0.558 nan 8.310 nan 0.000 0.526 335 F N 3.293 123.245 119.950 0.004 0.000 2.236 335 F HA 0.148 4.675 4.527 -0.000 0.000 0.302 335 F C 0.990 176.793 175.800 0.005 0.000 1.073 335 F CA 0.274 58.276 58.000 0.005 0.000 1.336 335 F CB -0.708 38.294 39.000 0.005 0.000 1.040 335 F HN 0.384 nan 8.300 nan 0.000 0.507 336 A N 0.447 123.074 122.820 -0.323 0.000 2.420 336 A HA 0.733 5.053 4.320 -0.000 0.000 0.291 336 A C 0.968 178.428 177.584 -0.207 0.000 1.228 336 A CA -0.302 51.459 52.037 -0.461 0.000 0.933 336 A CB 0.821 19.722 19.000 -0.164 0.000 1.428 336 A HN 0.397 nan 8.150 nan 0.000 0.493 337 R N -1.704 118.701 120.500 -0.159 0.000 2.840 337 R HA 0.186 4.526 4.340 -0.000 0.000 0.173 337 R C 1.542 177.811 176.300 -0.052 0.000 0.791 337 R CA 0.258 56.304 56.100 -0.090 0.000 1.069 337 R CB -0.257 29.986 30.300 -0.096 0.000 1.537 337 R HN 0.547 nan 8.270 nan 0.000 0.609 338 K N 2.057 122.425 120.400 -0.052 0.000 2.021 338 K HA 0.084 4.404 4.320 -0.000 0.000 0.205 338 K C 0.139 176.735 176.600 -0.005 0.000 1.047 338 K CA 1.084 57.356 56.287 -0.025 0.000 0.943 338 K CB 0.112 32.598 32.500 -0.023 0.000 0.725 338 K HN -0.160 nan 8.250 nan 0.000 0.439 339 K N 1.988 122.391 120.400 0.005 0.000 2.447 339 K HA 0.012 4.332 4.320 -0.000 0.000 0.281 339 K C -0.393 176.229 176.600 0.036 0.000 1.031 339 K CA 0.035 56.343 56.287 0.035 0.000 1.019 339 K CB 0.757 33.305 32.500 0.080 0.000 0.918 339 K HN 0.296 nan 8.250 nan 0.000 0.476 340 S N 2.822 118.542 115.700 0.033 0.000 2.571 340 S HA -0.129 4.341 4.470 -0.000 0.000 0.298 340 S C 1.103 175.728 174.600 0.043 0.000 1.280 340 S CA -0.508 57.711 58.200 0.032 0.000 1.052 340 S CB 0.376 63.593 63.200 0.030 0.000 0.799 340 S HN 0.609 nan 8.310 nan 0.000 0.501 341 L N 1.483 122.728 121.223 0.037 0.000 2.046 341 L HA 0.089 4.429 4.340 -0.000 0.000 0.208 341 L C 1.116 178.012 176.870 0.043 0.000 1.077 341 L CA 1.724 56.589 54.840 0.043 0.000 0.747 341 L CB -0.556 41.524 42.059 0.034 0.000 0.896 341 L HN 0.862 nan 8.230 nan 0.000 0.432 342 Q N -0.118 119.705 119.800 0.038 0.000 2.235 342 Q HA 0.496 4.836 4.340 -0.000 0.000 0.256 342 Q C -0.875 175.142 176.000 0.028 0.000 0.951 342 Q CA -0.468 55.354 55.803 0.032 0.000 0.890 342 Q CB 1.470 30.233 28.738 0.042 0.000 1.279 342 Q HN 0.171 nan 8.270 nan 0.000 0.444 343 R N 2.085 122.591 120.500 0.009 0.000 2.483 343 R HA 0.346 4.686 4.340 -0.000 0.000 0.303 343 R C -1.224 175.055 176.300 -0.035 0.000 0.987 343 R CA -0.521 55.581 56.100 0.002 0.000 0.881 343 R CB 1.363 31.665 30.300 0.003 0.000 1.177 343 R HN 0.434 nan 8.270 nan 0.000 0.451 344 K N 1.660 122.050 120.400 -0.015 0.000 2.156 344 K HA 0.585 4.905 4.320 -0.000 0.000 0.254 344 K C -1.023 175.554 176.600 -0.039 0.000 0.950 344 K CA -0.783 55.466 56.287 -0.063 0.000 0.849 344 K CB 2.633 35.192 32.500 0.098 0.000 1.100 344 K HN 0.126 nan 8.250 nan 0.000 0.434 345 V N 3.732 123.583 119.914 -0.106 0.000 2.888 345 V HA 0.411 4.531 4.120 -0.000 0.000 0.309 345 V C -1.765 174.317 176.094 -0.021 0.000 1.114 345 V CA -0.889 61.387 62.300 -0.041 0.000 0.940 345 V CB 1.733 33.522 31.823 -0.056 0.000 1.021 345 V HN 0.633 nan 8.190 nan 0.000 0.426 346 L N 6.442 127.675 121.223 0.016 0.000 2.277 346 L HA 0.536 4.876 4.340 -0.000 0.000 0.284 346 L C 0.352 177.224 176.870 0.002 0.000 1.028 346 L CA -0.475 54.370 54.840 0.009 0.000 0.835 346 L CB 1.459 43.471 42.059 -0.079 0.000 1.215 346 L HN 0.625 nan 8.230 nan 0.000 0.425 347 K N 5.122 125.532 120.400 0.017 0.000 3.001 347 K HA 0.307 4.627 4.320 -0.000 0.000 0.257 347 K C -0.083 176.549 176.600 0.052 0.000 1.290 347 K CA -0.284 56.016 56.287 0.022 0.000 1.252 347 K CB 0.101 32.618 32.500 0.027 0.000 1.656 347 K HN 0.539 nan 8.250 nan 0.000 0.351 348 L N 1.513 122.758 121.223 0.038 0.000 2.485 348 L HA -0.007 4.333 4.340 -0.000 0.000 0.275 348 L C 1.322 178.234 176.870 0.070 0.000 1.207 348 L CA -0.007 54.865 54.840 0.054 0.000 0.855 348 L CB 0.037 42.115 42.059 0.030 0.000 1.114 348 L HN 0.423 nan 8.230 nan 0.000 0.485 349 H N 4.994 124.065 119.070 0.001 0.000 3.038 349 H HA -0.028 4.528 4.556 -0.000 0.000 0.338 349 H C -1.746 173.596 175.328 0.023 0.000 1.041 349 H CA -0.936 55.137 56.048 0.042 0.000 1.394 349 H CB 1.345 31.145 29.762 0.063 0.000 1.357 349 H HN 0.368 nan 8.280 nan 0.000 0.600 350 P HA -0.154 nan 4.420 nan 0.000 0.217 350 P C 1.355 178.706 177.300 0.084 0.000 1.148 350 P CA 1.361 64.425 63.100 -0.059 0.000 0.828 350 P CB 0.045 31.694 31.700 -0.086 0.000 0.783 351 C N -2.041 117.417 119.300 0.263 0.000 2.481 351 C HA 0.083 4.543 4.460 -0.000 0.000 0.275 351 C C 2.484 177.477 174.990 0.005 0.000 1.419 351 C CA 0.456 59.580 59.018 0.176 0.000 1.773 351 C CB -1.618 26.266 27.740 0.240 0.000 1.862 351 C HN 0.211 nan 8.230 nan 0.000 0.530 352 L N 0.139 121.349 121.223 -0.021 0.000 2.425 352 L HA 0.234 4.574 4.340 -0.000 0.000 0.215 352 L C 1.620 178.475 176.870 -0.026 0.000 1.065 352 L CA 0.103 54.860 54.840 -0.139 0.000 0.842 352 L CB -0.830 41.041 42.059 -0.314 0.000 1.033 352 L HN 0.112 nan 8.230 nan 0.000 0.474 353 A N 2.193 125.030 122.820 0.028 0.000 2.580 353 A HA 0.028 4.348 4.320 -0.000 0.000 0.244 353 A C -1.295 176.334 177.584 0.075 0.000 1.045 353 A CA -0.657 51.427 52.037 0.077 0.000 0.761 353 A CB -0.325 18.712 19.000 0.061 0.000 0.962 353 A HN 0.088 nan 8.150 nan 0.000 0.512 354 P HA -0.052 nan 4.420 nan 0.000 0.216 354 P C 0.253 177.580 177.300 0.045 0.000 1.153 354 P CA 1.177 64.306 63.100 0.049 0.000 0.844 354 P CB 0.085 31.788 31.700 0.004 0.000 0.787 355 I N 0.283 120.883 120.570 0.049 0.000 2.339 355 I HA 0.179 4.349 4.170 -0.000 0.000 0.290 355 I C 1.462 177.612 176.117 0.054 0.000 0.994 355 I CA -0.744 60.590 61.300 0.057 0.000 1.191 355 I CB 1.895 39.920 38.000 0.042 0.000 1.343 355 I HN -0.250 nan 8.210 nan 0.000 0.458 356 K N 4.666 125.110 120.400 0.074 0.000 2.098 356 K HA 0.220 4.540 4.320 -0.000 0.000 0.203 356 K C 0.266 176.934 176.600 0.114 0.000 1.051 356 K CA 0.924 57.268 56.287 0.095 0.000 0.957 356 K CB 0.289 32.859 32.500 0.116 0.000 0.738 356 K HN 0.367 nan 8.250 nan 0.000 0.447 357 V N 0.472 120.445 119.914 0.098 0.000 2.925 357 V HA 0.584 4.704 4.120 -0.000 0.000 0.311 357 V C -1.030 175.092 176.094 0.047 0.000 1.104 357 V CA -1.313 61.044 62.300 0.096 0.000 0.954 357 V CB 1.927 33.820 31.823 0.116 0.000 1.022 357 V HN 0.228 nan 8.190 nan 0.000 0.427 358 A N 4.096 126.894 122.820 -0.038 0.000 2.355 358 A HA 0.968 5.288 4.320 -0.000 0.000 0.324 358 A C -1.200 176.426 177.584 0.069 0.000 1.117 358 A CA -0.602 51.388 52.037 -0.078 0.000 0.785 358 A CB 1.271 19.821 19.000 -0.751 0.000 1.254 358 A HN 0.774 nan 8.150 nan 0.000 0.453 359 L N 2.144 123.483 121.223 0.193 0.000 2.381 359 L HA 0.531 4.871 4.340 -0.000 0.000 0.274 359 L C -1.084 176.007 176.870 0.368 0.000 0.988 359 L CA -0.601 54.396 54.840 0.262 0.000 0.824 359 L CB 1.995 44.234 42.059 0.301 0.000 1.263 359 L HN 0.705 nan 8.230 nan 0.000 0.410 360 D N 1.546 122.128 120.400 0.304 0.000 2.552 360 D HA 0.544 5.184 4.640 -0.000 0.000 0.239 360 D C -1.035 175.384 176.300 0.197 0.000 1.139 360 D CA -0.254 53.927 54.000 0.301 0.000 0.914 360 D CB 3.618 44.606 40.800 0.314 0.000 1.461 360 D HN 0.251 nan 8.370 nan 0.000 0.462 361 V N -1.342 118.677 119.914 0.175 0.000 2.513 361 V HA 0.845 4.965 4.120 -0.000 0.000 0.299 361 V C 0.528 176.670 176.094 0.081 0.000 1.035 361 V CA -0.452 61.908 62.300 0.101 0.000 0.889 361 V CB 1.197 33.070 31.823 0.083 0.000 0.988 361 V HN 0.603 nan 8.190 nan 0.000 0.440 362 G N 3.444 112.275 108.800 0.052 0.000 2.630 362 G HA2 0.348 4.308 3.960 -0.000 0.000 0.223 362 G HA3 0.348 4.308 3.960 -0.000 0.000 0.223 362 G C -0.141 174.766 174.900 0.011 0.000 1.434 362 G CA -1.002 44.118 45.100 0.033 0.000 1.057 362 G HN 0.765 nan 8.290 nan 0.000 0.570 363 K N 0.473 120.872 120.400 -0.002 0.000 2.401 363 K HA 0.512 4.832 4.320 -0.000 0.000 0.278 363 K C 0.371 176.966 176.600 -0.009 0.000 1.018 363 K CA 0.685 56.963 56.287 -0.015 0.000 0.981 363 K CB 0.514 33.003 32.500 -0.018 0.000 0.933 363 K HN 1.030 nan 8.250 nan 0.000 0.477 364 G N 2.560 111.353 108.800 -0.012 0.000 2.362 364 G HA2 0.015 3.975 3.960 -0.000 0.000 0.288 364 G HA3 0.015 3.975 3.960 -0.000 0.000 0.288 364 G C -3.036 171.861 174.900 -0.006 0.000 1.305 364 G CA -1.043 44.052 45.100 -0.008 0.000 0.910 364 G HN 0.385 nan 8.290 nan 0.000 0.518 365 P HA 0.247 nan 4.420 nan 0.000 0.274 365 P C 1.228 178.529 177.300 0.003 0.000 1.291 365 P CA 0.352 63.451 63.100 -0.001 0.000 0.815 365 P CB 0.693 32.390 31.700 -0.004 0.000 0.897 366 T N 2.597 117.158 114.554 0.012 0.000 2.493 366 T HA -0.194 4.156 4.350 -0.000 0.000 0.256 366 T C 1.821 176.533 174.700 0.020 0.000 1.195 366 T CA 2.150 64.265 62.100 0.026 0.000 1.183 366 T CB -0.769 68.122 68.868 0.038 0.000 0.863 366 T HN 0.126 nan 8.240 nan 0.000 0.418 367 V N 1.316 121.239 119.914 0.016 0.000 2.332 367 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 367 V C 2.520 178.608 176.094 -0.009 0.000 1.055 367 V CA 1.980 64.284 62.300 0.008 0.000 1.038 367 V CB -0.716 31.112 31.823 0.008 0.000 0.651 367 V HN 0.532 nan 8.190 nan 0.000 0.450 368 E N -0.184 120.009 120.200 -0.012 0.000 2.077 368 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 368 E C 2.227 178.803 176.600 -0.041 0.000 0.989 368 E CA 1.191 57.577 56.400 -0.024 0.000 0.800 368 E CB -0.148 29.541 29.700 -0.018 0.000 0.746 368 E HN 0.526 nan 8.360 nan 0.000 0.452 369 L N 0.262 121.463 121.223 -0.037 0.000 2.109 369 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 369 L C 2.499 179.303 176.870 -0.111 0.000 1.086 369 L CA 0.906 55.713 54.840 -0.056 0.000 0.760 369 L CB -0.323 41.721 42.059 -0.026 0.000 0.910 369 L HN 0.046 nan 8.230 nan 0.000 0.437 370 R N -0.261 120.185 120.500 -0.090 0.000 2.115 370 R HA -0.172 4.168 4.340 -0.000 0.000 0.230 370 R C 2.246 178.407 176.300 -0.231 0.000 1.111 370 R CA 1.079 57.082 56.100 -0.161 0.000 0.976 370 R CB -0.207 30.099 30.300 0.010 0.000 0.870 370 R HN 0.470 nan 8.270 nan 0.000 0.445 371 Q N 0.225 119.949 119.800 -0.127 0.000 2.079 371 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 371 Q C 2.108 178.025 176.000 -0.139 0.000 0.974 371 Q CA 1.268 57.008 55.803 -0.106 0.000 0.840 371 Q CB 0.193 28.895 28.738 -0.060 0.000 0.898 371 Q HN 0.142 nan 8.270 nan 0.000 0.430 372 V N -0.302 119.527 119.914 -0.142 0.000 2.490 372 V HA -0.314 3.806 4.120 -0.000 0.000 0.250 372 V C 2.217 178.192 176.094 -0.199 0.000 1.061 372 V CA 1.350 63.568 62.300 -0.137 0.000 1.064 372 V CB -0.430 31.326 31.823 -0.112 0.000 0.670 372 V HN 0.536 nan 8.190 nan 0.000 0.461 373 C N -1.143 117.954 119.300 -0.340 0.000 2.453 373 C HA -0.122 4.338 4.460 -0.000 0.000 0.277 373 C C 2.844 177.554 174.990 -0.467 0.000 1.262 373 C CA 0.485 59.182 59.018 -0.534 0.000 1.718 373 C CB -0.866 26.171 27.740 -1.173 0.000 2.031 373 C HN 0.513 nan 8.230 nan 0.000 0.480 374 Q N 0.631 120.173 119.800 -0.430 0.000 2.112 374 Q HA -0.134 4.206 4.340 -0.000 0.000 0.206 374 Q C 2.396 178.354 176.000 -0.070 0.000 0.987 374 Q CA 2.303 58.018 55.803 -0.146 0.000 0.858 374 Q CB -0.967 27.728 28.738 -0.071 0.000 0.905 374 Q HN 0.758 nan 8.270 nan 0.000 0.420 375 G N 0.539 109.286 108.800 -0.089 0.000 2.402 375 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 375 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 375 G C 1.432 176.308 174.900 -0.041 0.000 1.162 375 G CA 0.679 45.748 45.100 -0.052 0.000 0.777 375 G HN 0.335 nan 8.290 nan 0.000 0.539 376 L N 0.368 121.555 121.223 -0.061 0.000 2.046 376 L HA 0.092 4.432 4.340 -0.000 0.000 0.208 376 L C 2.595 179.466 176.870 0.001 0.000 1.077 376 L CA 1.510 56.329 54.840 -0.036 0.000 0.747 376 L CB -0.774 41.255 42.059 -0.050 0.000 0.896 376 L HN 0.243 nan 8.230 nan 0.000 0.432 377 L N -0.172 121.062 121.223 0.018 0.000 1.970 377 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 377 L C 2.275 179.170 176.870 0.041 0.000 1.071 377 L CA 1.893 56.772 54.840 0.065 0.000 0.751 377 L CB -0.807 41.333 42.059 0.136 0.000 0.889 377 L HN 0.331 nan 8.230 nan 0.000 0.432 378 N N -0.067 118.650 118.700 0.028 0.000 2.094 378 N HA -0.281 4.459 4.740 -0.000 0.000 0.191 378 N C 1.800 177.319 175.510 0.016 0.000 1.023 378 N CA 1.784 54.846 53.050 0.019 0.000 0.857 378 N CB -0.351 38.143 38.487 0.011 0.000 1.013 378 N HN 0.566 nan 8.380 nan 0.000 0.426 379 E N 0.448 120.654 120.200 0.011 0.000 2.110 379 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 379 E C 1.907 178.517 176.600 0.016 0.000 0.988 379 E CA 0.653 57.059 56.400 0.010 0.000 0.804 379 E CB 0.041 29.743 29.700 0.004 0.000 0.745 379 E HN 0.293 nan 8.360 nan 0.000 0.458 380 L N 0.302 121.538 121.223 0.022 0.000 2.068 380 L HA -0.119 4.221 4.340 -0.000 0.000 0.204 380 L C 2.569 179.457 176.870 0.031 0.000 1.076 380 L CA 0.578 55.435 54.840 0.028 0.000 0.753 380 L CB -0.375 41.706 42.059 0.038 0.000 0.910 380 L HN 0.215 nan 8.230 nan 0.000 0.439 381 L N -0.192 121.050 121.223 0.031 0.000 2.042 381 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 381 L C 2.451 179.335 176.870 0.023 0.000 1.076 381 L CA 1.402 56.259 54.840 0.028 0.000 0.749 381 L CB -0.544 41.531 42.059 0.025 0.000 0.893 381 L HN 0.324 nan 8.230 nan 0.000 0.432 382 E N -0.161 120.051 120.200 0.020 0.000 2.333 382 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 382 E C 1.157 177.769 176.600 0.020 0.000 1.007 382 E CA 0.487 56.898 56.400 0.018 0.000 0.845 382 E CB -0.049 29.661 29.700 0.015 0.000 0.766 382 E HN 0.500 nan 8.360 nan 0.000 0.507 383 N N -0.175 118.538 118.700 0.022 0.000 2.268 383 N HA 0.014 4.754 4.740 -0.000 0.000 0.204 383 N C 0.630 176.156 175.510 0.027 0.000 1.124 383 N CA 0.521 53.585 53.050 0.023 0.000 0.838 383 N CB 1.231 39.731 38.487 0.022 0.000 0.994 383 N HN 0.182 nan 8.380 nan 0.000 0.489 384 G N 1.487 110.303 108.800 0.027 0.000 2.168 384 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 384 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 384 G C 0.120 175.041 174.900 0.036 0.000 0.997 384 G CA -0.030 45.088 45.100 0.030 0.000 0.708 384 G HN 0.352 nan 8.290 nan 0.000 0.520 385 I N 2.264 122.857 120.570 0.039 0.000 2.325 385 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 385 I C 1.206 177.355 176.117 0.053 0.000 1.019 385 I CA -0.198 61.131 61.300 0.048 0.000 1.302 385 I CB 1.300 39.329 38.000 0.047 0.000 1.401 385 I HN 0.334 nan 8.210 nan 0.000 0.485 386 S N 6.304 122.040 115.700 0.060 0.000 2.549 386 S HA 0.455 4.925 4.470 -0.000 0.000 0.283 386 S C -0.364 174.287 174.600 0.085 0.000 1.320 386 S CA -0.692 57.548 58.200 0.066 0.000 1.058 386 S CB 1.126 64.366 63.200 0.067 0.000 0.882 386 S HN 0.356 nan 8.310 nan 0.000 0.498 387 V N 3.679 123.647 119.914 0.090 0.000 2.709 387 V HA 0.425 4.545 4.120 -0.000 0.000 0.308 387 V C -0.734 175.445 176.094 0.142 0.000 1.062 387 V CA -0.887 61.479 62.300 0.110 0.000 0.901 387 V CB 1.928 33.804 31.823 0.088 0.000 1.003 387 V HN 1.044 nan 8.190 nan 0.000 0.425 388 W N 7.437 128.711 121.300 -0.044 0.000 2.308 388 W HA 0.404 5.064 4.660 0.000 0.000 0.311 388 W C -2.469 174.016 176.519 -0.057 0.000 1.088 388 W CA -2.357 54.952 57.345 -0.059 0.000 1.309 388 W CB 2.204 31.607 29.460 -0.096 0.000 1.229 388 W HN 0.399 nan 8.180 nan 0.000 0.427 389 P HA 0.104 nan 4.420 nan 0.000 0.225 389 P C 1.017 177.849 177.300 -0.780 0.000 1.813 389 P CA 0.213 62.882 63.100 -0.719 0.000 1.013 389 P CB 0.146 31.329 31.700 -0.861 0.000 1.961 390 G N 2.319 110.982 108.800 -0.229 0.000 2.442 390 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.219 390 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.219 390 G C 1.196 176.100 174.900 0.007 0.000 1.141 390 G CA 0.597 45.751 45.100 0.090 0.000 0.763 390 G HN 0.428 nan 8.290 nan 0.000 0.554 391 Y N 0.514 120.852 120.300 0.063 0.000 2.298 391 Y HA -0.015 4.535 4.550 -0.000 0.000 0.287 391 Y C 2.609 178.515 175.900 0.011 0.000 1.164 391 Y CA 0.925 59.053 58.100 0.045 0.000 1.229 391 Y CB -0.764 37.715 38.460 0.030 0.000 0.977 391 Y HN 0.109 nan 8.280 nan 0.000 0.538 392 S N -0.340 115.099 115.700 -0.435 0.000 2.447 392 S HA -0.127 4.343 4.470 -0.000 0.000 0.233 392 S C 0.668 175.199 174.600 -0.115 0.000 1.006 392 S CA 0.676 58.712 58.200 -0.272 0.000 0.957 392 S CB -0.417 62.508 63.200 -0.459 0.000 0.773 392 S HN 0.489 nan 8.310 nan 0.000 0.507 393 E N 1.357 121.507 120.200 -0.085 0.000 2.415 393 E HA 0.049 4.399 4.350 -0.000 0.000 0.263 393 E C 1.067 177.676 176.600 0.016 0.000 0.995 393 E CA 0.301 56.690 56.400 -0.019 0.000 0.915 393 E CB 0.759 30.482 29.700 0.038 0.000 0.951 393 E HN 0.262 nan 8.360 nan 0.000 0.449 394 T N 0.821 115.367 114.554 -0.013 0.000 3.009 394 T HA 0.065 4.415 4.350 -0.000 0.000 0.258 394 T C 0.757 175.384 174.700 -0.122 0.000 1.063 394 T CA 0.019 62.105 62.100 -0.024 0.000 1.139 394 T CB 0.133 68.980 68.868 -0.036 0.000 0.890 394 T HN 0.196 nan 8.240 nan 0.000 0.471 395 V N 3.405 123.237 119.914 -0.136 0.000 2.686 395 V HA 0.191 4.311 4.120 -0.000 0.000 0.295 395 V C 0.329 176.323 176.094 -0.167 0.000 1.055 395 V CA -0.872 61.279 62.300 -0.248 0.000 1.050 395 V CB 0.247 32.000 31.823 -0.116 0.000 0.984 395 V HN 0.510 nan 8.190 nan 0.000 0.482 396 H N 1.956 121.038 119.070 0.021 0.000 2.482 396 H HA 0.668 5.224 4.556 -0.000 0.000 0.344 396 H C -0.337 174.996 175.328 0.009 0.000 1.151 396 H CA -0.689 55.370 56.048 0.019 0.000 1.300 396 H CB 1.340 31.111 29.762 0.014 0.000 1.494 396 H HN 0.673 nan 8.280 nan 0.000 0.542 397 S N 0.667 116.444 115.700 0.129 0.000 2.540 397 S HA 0.264 4.734 4.470 -0.000 0.000 0.275 397 S C -0.094 174.513 174.600 0.012 0.000 1.123 397 S CA -1.085 57.142 58.200 0.044 0.000 0.907 397 S CB 1.796 64.998 63.200 0.003 0.000 1.081 397 S HN 0.751 nan 8.310 nan 0.000 0.476 398 S N 1.416 117.108 115.700 -0.013 0.000 2.580 398 S HA 0.245 4.715 4.470 -0.000 0.000 0.266 398 S C 1.052 175.591 174.600 -0.102 0.000 1.354 398 S CA -0.597 57.580 58.200 -0.038 0.000 1.008 398 S CB 0.101 63.283 63.200 -0.030 0.000 0.898 398 S HN 0.527 nan 8.310 nan 0.000 0.555 399 L N 1.244 122.387 121.223 -0.134 0.000 2.083 399 L HA -0.028 4.312 4.340 -0.000 0.000 0.209 399 L C 2.443 179.060 176.870 -0.422 0.000 1.083 399 L CA 1.855 56.514 54.840 -0.301 0.000 0.752 399 L CB -1.052 40.867 42.059 -0.233 0.000 0.899 399 L HN 0.828 nan 8.230 nan 0.000 0.433 400 E N -1.104 118.983 120.200 -0.188 0.000 2.077 400 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 400 E C 2.189 178.736 176.600 -0.088 0.000 0.989 400 E CA 1.202 57.547 56.400 -0.091 0.000 0.800 400 E CB -0.248 29.443 29.700 -0.014 0.000 0.746 400 E HN 0.532 nan 8.360 nan 0.000 0.452 401 Q N -0.193 119.547 119.800 -0.100 0.000 2.124 401 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 401 Q C 1.943 177.842 176.000 -0.168 0.000 0.977 401 Q CA 0.742 56.489 55.803 -0.093 0.000 0.850 401 Q CB -0.044 28.652 28.738 -0.069 0.000 0.901 401 Q HN 0.177 nan 8.270 nan 0.000 0.429 402 L N -0.152 120.920 121.223 -0.252 0.000 2.027 402 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 402 L C 1.923 178.548 176.870 -0.409 0.000 1.074 402 L CA 1.929 56.502 54.840 -0.446 0.000 0.745 402 L CB -0.741 41.109 42.059 -0.348 0.000 0.898 402 L HN 0.300 nan 8.230 nan 0.000 0.433 403 H N -1.952 117.034 119.070 -0.140 0.000 2.387 403 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 403 H C 2.188 177.506 175.328 -0.016 0.000 1.090 403 H CA 0.990 57.035 56.048 -0.003 0.000 1.332 403 H CB 0.180 29.968 29.762 0.044 0.000 1.386 403 H HN 0.325 nan 8.280 nan 0.000 0.516 404 S N 0.748 116.487 115.700 0.064 0.000 2.368 404 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 404 S C 1.964 176.570 174.600 0.010 0.000 1.029 404 S CA 1.179 59.400 58.200 0.035 0.000 0.988 404 S CB -0.052 63.156 63.200 0.014 0.000 0.838 404 S HN 0.394 nan 8.310 nan 0.000 0.462 405 K N 0.335 120.692 120.400 -0.073 0.000 2.026 405 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 405 K C 1.804 178.408 176.600 0.006 0.000 1.048 405 K CA 1.322 57.555 56.287 -0.091 0.000 0.929 405 K CB -0.312 32.055 32.500 -0.221 0.000 0.713 405 K HN 0.250 nan 8.250 nan 0.000 0.439 406 Y N 1.877 122.171 120.300 -0.010 0.000 2.224 406 Y HA -0.170 4.380 4.550 -0.000 0.000 0.289 406 Y C 1.996 177.886 175.900 -0.016 0.000 1.146 406 Y CA 1.029 59.108 58.100 -0.036 0.000 1.182 406 Y CB -0.633 37.844 38.460 0.028 0.000 0.983 406 Y HN 0.230 nan 8.280 nan 0.000 0.524 407 D N -0.157 120.338 120.400 0.158 0.000 2.144 407 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 407 D C 1.890 178.236 176.300 0.077 0.000 0.978 407 D CA 1.105 55.153 54.000 0.080 0.000 0.833 407 D CB -0.147 40.682 40.800 0.049 0.000 0.961 407 D HN 0.466 nan 8.370 nan 0.000 0.470 408 E N -0.385 119.868 120.200 0.089 0.000 2.208 408 E HA -0.033 4.317 4.350 -0.000 0.000 0.193 408 E C 1.688 178.395 176.600 0.179 0.000 0.988 408 E CA 0.485 56.950 56.400 0.108 0.000 0.828 408 E CB 0.008 29.764 29.700 0.093 0.000 0.763 408 E HN 0.329 nan 8.360 nan 0.000 0.478 409 M N -0.464 119.243 119.600 0.179 0.000 2.495 409 M HA 0.065 4.545 4.480 -0.000 0.000 0.237 409 M C 0.953 177.421 176.300 0.281 0.000 1.131 409 M CA 0.051 55.505 55.300 0.257 0.000 1.032 409 M CB 0.640 33.250 32.600 0.017 0.000 1.513 409 M HN -0.128 nan 8.290 nan 0.000 0.488 410 S N 0.061 115.859 115.700 0.163 0.000 3.361 410 S HA -0.109 4.361 4.470 -0.000 0.000 0.288 410 S C 0.185 174.812 174.600 0.045 0.000 1.269 410 S CA 0.025 58.285 58.200 0.100 0.000 0.976 410 S CB -1.407 61.881 63.200 0.147 0.000 1.162 410 S HN 0.310 nan 8.310 nan 0.000 0.643 411 V N 3.117 123.044 119.914 0.021 0.000 2.557 411 V HA -0.030 4.090 4.120 -0.000 0.000 0.301 411 V C 1.795 177.826 176.094 -0.105 0.000 1.026 411 V CA 1.111 63.383 62.300 -0.047 0.000 1.137 411 V CB 0.571 32.319 31.823 -0.125 0.000 0.917 411 V HN 0.525 nan 8.190 nan 0.000 0.484 412 L N 4.660 125.801 121.223 -0.137 0.000 2.027 412 L HA 0.069 4.409 4.340 -0.000 0.000 0.206 412 L C 0.224 176.670 176.870 -0.706 0.000 1.074 412 L CA 1.653 56.258 54.840 -0.392 0.000 0.745 412 L CB -0.155 41.723 42.059 -0.301 0.000 0.898 412 L HN 0.462 nan 8.230 nan 0.000 0.433 413 F N -1.099 118.802 119.950 -0.082 0.000 2.569 413 F HA 0.324 4.851 4.527 0.000 0.000 0.312 413 F C -0.039 175.719 175.800 -0.070 0.000 1.109 413 F CA -0.948 57.009 58.000 -0.071 0.000 0.919 413 F CB 1.819 40.794 39.000 -0.043 0.000 1.211 413 F HN -0.265 nan 8.300 nan 0.000 0.446 414 S N 1.419 117.197 115.700 0.130 0.000 2.454 414 S HA 0.876 5.346 4.470 -0.000 0.000 0.306 414 S C -1.136 173.551 174.600 0.146 0.000 1.100 414 S CA -0.738 57.520 58.200 0.097 0.000 1.087 414 S CB 1.676 64.995 63.200 0.198 0.000 1.019 414 S HN 0.379 nan 8.310 nan 0.000 0.480 415 V N 3.486 123.484 119.914 0.140 0.000 2.495 415 V HA 0.549 4.669 4.120 -0.000 0.000 0.298 415 V C -0.729 175.451 176.094 0.142 0.000 1.031 415 V CA -0.733 61.637 62.300 0.116 0.000 0.871 415 V CB 1.459 33.327 31.823 0.074 0.000 0.988 415 V HN 0.891 nan 8.190 nan 0.000 0.432 416 L N 6.059 127.354 121.223 0.120 0.000 2.325 416 L HA 0.670 5.010 4.340 -0.000 0.000 0.281 416 L C -0.547 176.359 176.870 0.059 0.000 1.004 416 L CA 0.001 54.910 54.840 0.116 0.000 0.823 416 L CB 1.779 43.918 42.059 0.133 0.000 1.236 416 L HN 0.446 nan 8.230 nan 0.000 0.415 417 V N 4.518 124.458 119.914 0.044 0.000 2.394 417 V HA 0.726 4.846 4.120 -0.000 0.000 0.282 417 V C 0.390 176.489 176.094 0.008 0.000 1.031 417 V CA 0.082 62.384 62.300 0.003 0.000 0.881 417 V CB 1.479 33.282 31.823 -0.032 0.000 0.982 417 V HN 0.969 nan 8.190 nan 0.000 0.451 418 T N 0.257 114.810 114.554 -0.000 0.000 2.626 418 T HA 0.422 4.772 4.350 -0.000 0.000 0.279 418 T C 0.837 175.533 174.700 -0.006 0.000 0.983 418 T CA -0.463 61.638 62.100 0.002 0.000 1.059 418 T CB 1.568 70.442 68.868 0.010 0.000 1.396 418 T HN 0.426 nan 8.240 nan 0.000 0.519 419 E N 0.226 120.424 120.200 -0.004 0.000 2.058 419 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 419 E C 2.035 178.633 176.600 -0.004 0.000 0.997 419 E CA 1.949 58.346 56.400 -0.005 0.000 0.801 419 E CB -0.482 29.216 29.700 -0.003 0.000 0.746 419 E HN 0.700 nan 8.360 nan 0.000 0.450 420 T N 0.267 114.820 114.554 -0.001 0.000 2.653 420 T HA -0.204 4.145 4.350 -0.000 0.000 0.268 420 T C 1.897 176.596 174.700 -0.002 0.000 1.035 420 T CA 1.919 64.020 62.100 0.002 0.000 1.154 420 T CB -0.594 68.277 68.868 0.005 0.000 0.862 420 T HN 0.271 nan 8.240 nan 0.000 0.441 421 T N 2.449 116.996 114.554 -0.012 0.000 2.759 421 T HA -0.002 4.348 4.350 -0.000 0.000 0.269 421 T C 1.932 176.615 174.700 -0.028 0.000 1.042 421 T CA 0.866 62.948 62.100 -0.029 0.000 1.140 421 T CB -0.473 68.369 68.868 -0.044 0.000 0.864 421 T HN 0.306 nan 8.240 nan 0.000 0.455 422 L N 0.754 121.966 121.223 -0.020 0.000 2.275 422 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 422 L C 2.575 179.443 176.870 -0.004 0.000 1.119 422 L CA 1.289 56.119 54.840 -0.016 0.000 0.790 422 L CB -0.495 41.556 42.059 -0.014 0.000 0.919 422 L HN 0.520 nan 8.230 nan 0.000 0.443 423 E N -1.499 118.703 120.200 0.003 0.000 2.256 423 E HA -0.048 4.302 4.350 -0.000 0.000 0.198 423 E C 1.563 178.179 176.600 0.027 0.000 0.908 423 E CA 0.126 56.534 56.400 0.012 0.000 0.915 423 E CB -0.108 29.597 29.700 0.009 0.000 0.890 423 E HN 0.201 nan 8.360 nan 0.000 0.484 424 N N 0.432 119.151 118.700 0.031 0.000 2.388 424 N HA -0.020 4.720 4.740 -0.000 0.000 0.176 424 N C 1.231 176.809 175.510 0.114 0.000 1.062 424 N CA 1.113 54.200 53.050 0.060 0.000 0.895 424 N CB 0.927 39.441 38.487 0.046 0.000 1.018 424 N HN 0.322 nan 8.380 nan 0.000 0.456 425 G N 0.740 109.559 108.800 0.032 0.000 2.162 425 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 425 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 425 G C -0.129 174.663 174.900 -0.180 0.000 0.976 425 G CA 0.299 45.338 45.100 -0.100 0.000 0.655 425 G HN 0.283 nan 8.290 nan 0.000 0.533 426 L N 0.555 121.765 121.223 -0.022 0.000 2.312 426 L HA 0.723 5.063 4.340 -0.000 0.000 0.281 426 L C 0.681 177.527 176.870 -0.040 0.000 1.070 426 L CA -1.161 53.671 54.840 -0.014 0.000 0.805 426 L CB 1.146 43.225 42.059 0.032 0.000 1.174 426 L HN 0.305 nan 8.230 nan 0.000 0.434 427 I N -0.033 120.508 120.570 -0.047 0.000 2.846 427 I HA 0.454 4.624 4.170 -0.000 0.000 0.307 427 I C -0.457 175.651 176.117 -0.016 0.000 1.053 427 I CA -0.809 60.472 61.300 -0.032 0.000 1.050 427 I CB 1.642 39.615 38.000 -0.044 0.000 1.239 427 I HN 0.529 nan 8.210 nan 0.000 0.439 428 Q N 2.851 122.657 119.800 0.011 0.000 2.296 428 Q HA 0.594 4.934 4.340 -0.000 0.000 0.257 428 Q C -1.585 174.434 176.000 0.031 0.000 0.942 428 Q CA -0.682 55.135 55.803 0.024 0.000 0.939 428 Q CB 1.393 30.164 28.738 0.056 0.000 1.198 428 Q HN 0.778 nan 8.270 nan 0.000 0.429 429 L N 4.688 125.911 121.223 0.000 0.000 2.305 429 L HA 0.513 4.853 4.340 -0.000 0.000 0.284 429 L C -1.220 175.668 176.870 0.030 0.000 1.013 429 L CA -0.202 54.643 54.840 0.008 0.000 0.819 429 L CB 1.398 43.408 42.059 -0.082 0.000 1.227 429 L HN 0.628 nan 8.230 nan 0.000 0.417 430 R N 3.545 124.077 120.500 0.054 0.000 2.437 430 R HA 0.524 4.864 4.340 -0.000 0.000 0.310 430 R C -0.963 175.353 176.300 0.027 0.000 0.955 430 R CA -0.372 55.718 56.100 -0.016 0.000 0.851 430 R CB 1.698 31.879 30.300 -0.198 0.000 1.161 430 R HN 0.729 nan 8.270 nan 0.000 0.446 431 S N 2.612 118.317 115.700 0.008 0.000 2.562 431 S HA 0.129 4.599 4.470 -0.000 0.000 0.275 431 S C 1.188 175.667 174.600 -0.201 0.000 1.281 431 S CA -0.571 57.558 58.200 -0.118 0.000 1.045 431 S CB 1.378 64.556 63.200 -0.036 0.000 0.962 431 S HN 0.821 nan 8.310 nan 0.000 0.503 432 R N 2.633 122.944 120.500 -0.314 0.000 2.073 432 R HA -0.074 4.266 4.340 -0.000 0.000 0.229 432 R C 0.689 176.898 176.300 -0.151 0.000 1.120 432 R CA 1.826 57.804 56.100 -0.203 0.000 0.967 432 R CB -0.462 29.711 30.300 -0.212 0.000 0.862 432 R HN 0.678 nan 8.270 nan 0.000 0.436 433 D N -0.312 119.983 120.400 -0.175 0.000 2.144 433 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 433 D C 1.687 177.946 176.300 -0.067 0.000 0.978 433 D CA 1.988 55.925 54.000 -0.105 0.000 0.833 433 D CB 0.058 40.801 40.800 -0.095 0.000 0.961 433 D HN 0.475 nan 8.370 nan 0.000 0.470 434 T N -3.151 111.365 114.554 -0.064 0.000 3.001 434 T HA 0.014 4.364 4.350 -0.000 0.000 0.251 434 T C 1.176 175.850 174.700 -0.043 0.000 1.040 434 T CA 1.116 63.194 62.100 -0.037 0.000 0.985 434 T CB -0.086 68.776 68.868 -0.011 0.000 1.011 434 T HN 0.091 nan 8.240 nan 0.000 0.509 435 T N 0.541 115.056 114.554 -0.064 0.000 4.700 435 T HA -0.261 4.089 4.350 -0.000 0.000 0.326 435 T C 0.063 174.732 174.700 -0.053 0.000 0.923 435 T CA 1.181 63.239 62.100 -0.070 0.000 2.025 435 T CB -2.635 66.202 68.868 -0.051 0.000 2.058 435 T HN 0.645 nan 8.240 nan 0.000 0.896 436 M N 1.277 120.855 119.600 -0.037 0.000 2.209 436 M HA 0.414 4.894 4.480 -0.000 0.000 0.355 436 M C 0.461 176.750 176.300 -0.019 0.000 1.171 436 M CA -0.540 54.747 55.300 -0.022 0.000 1.069 436 M CB 1.460 34.053 32.600 -0.012 0.000 1.622 436 M HN 0.163 nan 8.290 nan 0.000 0.459 437 K N 2.538 122.932 120.400 -0.011 0.000 2.098 437 K HA 0.498 4.818 4.320 -0.000 0.000 0.261 437 K C -0.558 176.037 176.600 -0.009 0.000 0.987 437 K CA -0.684 55.600 56.287 -0.004 0.000 0.916 437 K CB 1.177 33.690 32.500 0.023 0.000 1.039 437 K HN 0.681 nan 8.250 nan 0.000 0.455 438 E N 1.075 121.264 120.200 -0.018 0.000 2.388 438 E HA 0.266 4.616 4.350 -0.000 0.000 0.280 438 E C -1.117 175.457 176.600 -0.043 0.000 1.019 438 E CA -0.960 55.420 56.400 -0.034 0.000 0.806 438 E CB 0.857 30.522 29.700 -0.058 0.000 1.246 438 E HN 0.139 nan 8.360 nan 0.000 0.443 439 M N 2.202 121.779 119.600 -0.038 0.000 2.288 439 M HA 0.518 4.998 4.480 -0.000 0.000 0.334 439 M C -0.232 176.033 176.300 -0.058 0.000 1.150 439 M CA -0.386 54.894 55.300 -0.034 0.000 1.118 439 M CB 0.737 33.329 32.600 -0.014 0.000 1.501 439 M HN 0.906 nan 8.290 nan 0.000 0.462 440 M N 1.514 121.084 119.600 -0.050 0.000 2.333 440 M HA 0.244 4.724 4.480 -0.000 0.000 0.286 440 M C -1.341 174.954 176.300 -0.008 0.000 1.113 440 M CA -0.452 54.815 55.300 -0.056 0.000 0.959 440 M CB 1.773 34.285 32.600 -0.146 0.000 1.776 440 M HN 0.746 nan 8.290 nan 0.000 0.492 441 H N 4.712 123.747 119.070 -0.059 0.000 2.929 441 H HA 0.122 4.677 4.556 -0.000 0.000 0.317 441 H C 0.854 176.160 175.328 -0.037 0.000 1.031 441 H CA 0.928 56.952 56.048 -0.040 0.000 1.466 441 H CB 1.056 30.799 29.762 -0.031 0.000 1.482 441 H HN 0.950 nan 8.280 nan 0.000 0.561 442 I N 3.890 124.193 120.570 -0.444 0.000 2.381 442 I HA -0.332 3.838 4.170 -0.000 0.000 0.255 442 I C 2.016 178.028 176.117 -0.175 0.000 1.140 442 I CA 1.871 63.000 61.300 -0.286 0.000 1.404 442 I CB -0.035 37.786 38.000 -0.300 0.000 1.075 442 I HN 0.587 nan 8.210 nan 0.000 0.433 443 S N -0.777 114.834 115.700 -0.147 0.000 2.607 443 S HA -0.023 4.447 4.470 -0.000 0.000 0.224 443 S C 1.459 176.114 174.600 0.091 0.000 0.969 443 S CA 0.324 58.564 58.200 0.066 0.000 0.927 443 S CB -0.122 63.225 63.200 0.244 0.000 0.772 443 S HN 0.495 nan 8.310 nan 0.000 0.533 444 K N -0.576 119.865 120.400 0.068 0.000 2.450 444 K HA 0.377 4.697 4.320 -0.000 0.000 0.206 444 K C 1.280 177.913 176.600 0.055 0.000 1.148 444 K CA -0.143 56.183 56.287 0.064 0.000 1.014 444 K CB 0.026 32.563 32.500 0.061 0.000 0.966 444 K HN 0.116 nan 8.250 nan 0.000 0.566 445 L N 2.221 123.457 121.223 0.021 0.000 1.956 445 L HA -0.171 4.169 4.340 -0.000 0.000 0.216 445 L C 2.300 179.207 176.870 0.062 0.000 1.073 445 L CA 1.875 56.733 54.840 0.030 0.000 0.762 445 L CB -0.512 41.539 42.059 -0.013 0.000 0.889 445 L HN 0.131 nan 8.230 nan 0.000 0.433 446 R N -0.310 120.209 120.500 0.032 0.000 2.113 446 R HA -0.219 4.121 4.340 -0.000 0.000 0.244 446 R C 1.913 178.231 176.300 0.031 0.000 1.142 446 R CA 2.262 58.377 56.100 0.025 0.000 0.953 446 R CB -0.852 29.459 30.300 0.018 0.000 0.860 446 R HN 0.482 nan 8.270 nan 0.000 0.438 447 D N -0.205 120.226 120.400 0.051 0.000 2.097 447 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 447 D C 1.674 178.014 176.300 0.067 0.000 0.989 447 D CA 1.209 55.242 54.000 0.054 0.000 0.827 447 D CB -0.535 40.305 40.800 0.066 0.000 0.966 447 D HN 0.215 nan 8.370 nan 0.000 0.456 448 F N 1.494 121.414 119.950 -0.050 0.000 2.069 448 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 448 F C 2.111 177.867 175.800 -0.075 0.000 1.113 448 F CA 1.330 59.286 58.000 -0.073 0.000 1.214 448 F CB -0.499 38.415 39.000 -0.143 0.000 0.978 448 F HN -0.102 nan 8.300 nan 0.000 0.474 449 L N -0.589 120.462 121.223 -0.287 0.000 2.017 449 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 449 L C 2.447 179.223 176.870 -0.157 0.000 1.073 449 L CA 1.117 55.749 54.840 -0.347 0.000 0.745 449 L CB -1.157 40.810 42.059 -0.152 0.000 0.894 449 L HN -0.003 nan 8.230 nan 0.000 0.432 450 V N -0.029 119.840 119.914 -0.075 0.000 2.392 450 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 450 V C 2.572 178.644 176.094 -0.037 0.000 1.059 450 V CA 1.854 64.138 62.300 -0.028 0.000 1.051 450 V CB -0.489 31.330 31.823 -0.006 0.000 0.658 450 V HN 0.398 nan 8.190 nan 0.000 0.455 451 K N -1.397 118.960 120.400 -0.071 0.000 2.021 451 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 451 K C 2.188 178.732 176.600 -0.094 0.000 1.047 451 K CA 1.555 57.802 56.287 -0.066 0.000 0.943 451 K CB -0.346 32.125 32.500 -0.048 0.000 0.725 451 K HN 0.506 nan 8.250 nan 0.000 0.439 452 Y N 1.809 121.908 120.300 -0.336 0.000 2.114 452 Y HA -0.265 4.285 4.550 -0.000 0.000 0.282 452 Y C 1.717 177.536 175.900 -0.134 0.000 1.165 452 Y CA 1.556 59.470 58.100 -0.309 0.000 1.148 452 Y CB -0.165 37.948 38.460 -0.579 0.000 0.972 452 Y HN -0.022 nan 8.280 nan 0.000 0.504 453 L N -0.599 120.667 121.223 0.072 0.000 2.056 453 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 453 L C 2.804 179.667 176.870 -0.013 0.000 1.078 453 L CA 1.064 55.941 54.840 0.061 0.000 0.749 453 L CB -1.003 41.113 42.059 0.095 0.000 0.901 453 L HN 0.340 nan 8.230 nan 0.000 0.433 454 A N -0.840 121.967 122.820 -0.022 0.000 1.902 454 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 454 A C 2.531 180.092 177.584 -0.037 0.000 1.181 454 A CA 2.170 54.200 52.037 -0.012 0.000 0.623 454 A CB -0.667 18.327 19.000 -0.011 0.000 0.818 454 A HN 0.331 nan 8.150 nan 0.000 0.443 455 S N -0.686 114.956 115.700 -0.096 0.000 2.368 455 S HA -0.023 4.447 4.470 -0.000 0.000 0.225 455 S C 2.270 176.800 174.600 -0.117 0.000 1.030 455 S CA 1.208 59.337 58.200 -0.119 0.000 0.999 455 S CB -0.381 62.709 63.200 -0.182 0.000 0.844 455 S HN 0.785 nan 8.310 nan 0.000 0.459 456 A N 0.429 123.136 122.820 -0.187 0.000 1.930 456 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 456 A C 2.222 179.855 177.584 0.081 0.000 1.175 456 A CA 1.900 53.874 52.037 -0.106 0.000 0.627 456 A CB -0.732 18.137 19.000 -0.218 0.000 0.815 456 A HN 0.535 nan 8.150 nan 0.000 0.443 457 S N -0.860 114.880 115.700 0.066 0.000 2.496 457 S HA -0.039 4.431 4.470 -0.000 0.000 0.224 457 S C 1.717 176.372 174.600 0.093 0.000 0.996 457 S CA 0.765 59.035 58.200 0.116 0.000 0.927 457 S CB -0.435 62.829 63.200 0.106 0.000 0.774 457 S HN 0.544 nan 8.310 nan 0.000 0.524 458 N N 1.629 120.359 118.700 0.050 0.000 2.124 458 N HA 0.038 4.778 4.740 -0.000 0.000 0.189 458 N C 0.526 176.053 175.510 0.029 0.000 1.050 458 N CA 1.184 54.255 53.050 0.035 0.000 0.848 458 N CB -0.863 37.627 38.487 0.005 0.000 1.027 458 N HN 0.173 nan 8.380 nan 0.000 0.435 459 V N 2.421 122.352 119.914 0.029 0.000 5.493 459 V HA -0.273 3.847 4.120 -0.000 0.000 0.157 459 V C 0.870 176.968 176.094 0.007 0.000 0.732 459 V CA 0.419 62.749 62.300 0.051 0.000 0.552 459 V CB -2.592 29.321 31.823 0.150 0.000 0.166 459 V HN 0.446 nan 8.190 nan 0.000 0.368 460 A N 2.535 125.351 122.820 -0.007 0.000 2.688 460 A HA 0.205 4.525 4.320 -0.000 0.000 0.230 460 A C 1.876 179.436 177.584 -0.041 0.000 1.171 460 A CA 1.033 53.054 52.037 -0.027 0.000 0.913 460 A CB -0.122 18.860 19.000 -0.030 0.000 1.033 460 A HN 1.847 nan 8.150 nan 0.000 0.514 461 A N 1.189 123.984 122.820 -0.041 0.000 1.894 461 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 461 A C 2.327 179.912 177.584 0.000 0.000 1.237 461 A CA 3.265 55.290 52.037 -0.019 0.000 0.660 461 A CB -1.260 17.733 19.000 -0.010 0.000 0.835 461 A HN 2.207 nan 8.150 nan 0.000 0.461 462 A N -1.740 121.081 122.820 0.003 0.000 2.235 462 A HA 0.417 4.737 4.320 -0.000 0.000 0.208 462 A C 1.487 179.085 177.584 0.023 0.000 1.172 462 A CA 1.018 53.067 52.037 0.019 0.000 0.786 462 A CB -0.370 18.634 19.000 0.006 0.000 0.804 462 A HN 0.508 nan 8.150 nan 0.000 0.479 463 L N -2.417 118.813 121.223 0.012 0.000 3.086 463 L HA 0.193 4.533 4.340 -0.000 0.000 0.274 463 L C 1.211 178.109 176.870 0.047 0.000 1.184 463 L CA -0.077 54.795 54.840 0.054 0.000 1.002 463 L CB 0.130 42.218 42.059 0.048 0.000 1.383 463 L HN 0.005 nan 8.230 nan 0.000 0.582 464 D N 1.155 121.472 120.400 -0.137 0.000 2.157 464 D HA -0.195 4.445 4.640 -0.000 0.000 0.191 464 D C 1.181 177.070 176.300 -0.685 0.000 1.004 464 D CA 1.496 55.218 54.000 -0.463 0.000 0.854 464 D CB 0.063 40.406 40.800 -0.762 0.000 0.936 464 D HN 0.405 nan 8.370 nan 0.000 0.446 465 H N -0.699 118.251 119.070 -0.201 0.000 2.533 465 H HA 0.104 4.660 4.556 -0.000 0.000 0.281 465 H C 1.038 176.117 175.328 -0.415 0.000 1.238 465 H CA -0.064 55.790 56.048 -0.324 0.000 1.024 465 H CB -0.382 29.196 29.762 -0.307 0.000 1.604 465 H HN 0.516 nan 8.280 nan 0.000 0.531 466 H N -0.045 118.979 119.070 -0.077 0.000 2.495 466 H HA -0.068 4.488 4.556 -0.000 0.000 0.287 466 H C 0.093 175.426 175.328 0.009 0.000 1.033 466 H CA 0.645 56.660 56.048 -0.054 0.000 1.307 466 H CB -0.178 29.590 29.762 0.010 0.000 1.401 466 H HN 0.585 nan 8.280 nan 0.000 0.555 467 H N 0.585 119.432 119.070 -0.372 0.000 3.010 467 H HA -0.222 4.334 4.556 -0.000 0.000 0.272 467 H C -0.538 174.727 175.328 -0.105 0.000 1.151 467 H CA 0.446 56.307 56.048 -0.311 0.000 1.159 467 H CB -1.823 27.844 29.762 -0.157 0.000 1.295 467 H HN 0.771 nan 8.280 nan 0.000 0.344 468 H N 0.000 119.343 119.070 0.455 0.000 2.539 468 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 468 H CA 0.000 56.246 56.048 0.329 0.000 1.023 468 H CB 0.000 29.876 29.762 0.189 0.000 1.292 468 H HN 0.000 nan 8.280 nan 0.000 0.496