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 2pan_1_E DATA FIRST_RESID 2 DATA SEQUENCE AKXRAVDAAX YVLEKEGITT AFGVPGAAIN PFYSAXRKHG GIRHILARHV DATA SEQUENCE EGASHXAEGY TRATAGNIGV CLGTSGPAGT DXITALYSAS ADSIPILCIT DATA SEQUENCE GQAPRARLHK EDFQAVDIEA IAKPVSKXAV TVREAALVPR VLQQAFHLXR DATA SEQUENCE SGRPGPVLVD LPFDVQVAEI EFDPDXYEPL PVYKPAASRX QIEKAVEXLI DATA SEQUENCE QAERPVIVAG GGVINADAAA LLQQFAELTS VPVIPTLXGW GCIPDDHELX DATA SEQUENCE AGXVGLQTAH RYGNATLLAS DXVFGIGNRF ANRHTGSVEK YTEGRKIVHI DATA SEQUENCE DIEPTQIGRV LCPDLGIVSD AKAALTLLVE VAQEXQKAGR LPCRKEWVAD DATA SEQUENCE CQQRKRTLLR KTHFDNVPVK PQRVYEEXNK AFGRDVCYVT TIGLSQIAAA DATA SEQUENCE QXLHVFKDRH WINCGQAGPL GWTIPAALGV CAADPKRNVV AISGDFDFQF DATA SEQUENCE LIEELAVGAQ FNIPYIHVLV NNAYLGLIRQ SQRAFDXDYC VQLAFENINS DATA SEQUENCE SEVNGYGVDH VKVAEGLGCK AIRVFKPEDI APAFEQAKAL XAQYRVPVVV DATA SEQUENCE EVILERVTNI SXGSELDNVX EFEDIADNAA DAPTETCFXH YE 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.606 177.584 0.037 0.000 1.274 2 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 6 A N 1.125 123.902 122.820 -0.071 0.000 1.908 6 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 6 A C 1.792 179.297 177.584 -0.131 0.000 1.181 6 A CA 2.230 54.206 52.037 -0.102 0.000 0.627 6 A CB -0.663 18.294 19.000 -0.072 0.000 0.818 6 A HN 0.545 nan 8.150 nan 0.000 0.445 7 V N -1.964 117.880 119.914 -0.117 0.000 2.490 7 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 7 V C 1.740 177.690 176.094 -0.239 0.000 1.061 7 V CA 2.253 64.453 62.300 -0.167 0.000 1.064 7 V CB -0.898 30.831 31.823 -0.157 0.000 0.670 7 V HN 0.392 nan 8.190 nan 0.000 0.461 8 D N 1.453 121.761 120.400 -0.153 0.000 2.117 8 D HA -0.044 4.596 4.640 -0.000 0.000 0.198 8 D C 2.329 178.609 176.300 -0.033 0.000 0.982 8 D CA 1.912 55.858 54.000 -0.090 0.000 0.828 8 D CB -0.253 40.553 40.800 0.010 0.000 0.967 8 D HN 0.574 nan 8.370 nan 0.000 0.464 9 A N 1.285 124.049 122.820 -0.093 0.000 1.972 9 A HA 0.112 4.431 4.320 -0.000 0.000 0.219 9 A C 1.570 178.946 177.584 -0.345 0.000 1.169 9 A CA 1.265 53.142 52.037 -0.267 0.000 0.635 9 A CB -0.561 18.001 19.000 -0.730 0.000 0.810 9 A HN 0.261 nan 8.150 nan 0.000 0.446 13 V N 1.523 121.309 119.914 -0.213 0.000 2.295 13 V HA -0.306 3.813 4.120 -0.000 0.000 0.246 13 V C 2.030 177.927 176.094 -0.329 0.000 1.049 13 V CA 2.454 64.469 62.300 -0.476 0.000 1.024 13 V CB -0.685 30.844 31.823 -0.490 0.000 0.648 13 V HN 0.328 nan 8.190 nan 0.000 0.447 14 L N -0.394 120.691 121.223 -0.231 0.000 2.079 14 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 14 L C 2.738 179.495 176.870 -0.188 0.000 1.081 14 L CA 1.484 56.224 54.840 -0.166 0.000 0.752 14 L CB -0.637 41.370 42.059 -0.087 0.000 0.896 14 L HN 0.391 nan 8.230 nan 0.000 0.433 15 E N 0.399 120.479 120.200 -0.200 0.000 2.047 15 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 15 E C 2.081 178.642 176.600 -0.065 0.000 0.987 15 E CA 0.978 57.303 56.400 -0.124 0.000 0.799 15 E CB -0.116 29.514 29.700 -0.116 0.000 0.752 15 E HN 0.492 nan 8.360 nan 0.000 0.449 16 K N 0.656 121.028 120.400 -0.046 0.000 2.362 16 K HA -0.123 4.197 4.320 -0.000 0.000 0.200 16 K C 1.588 178.176 176.600 -0.020 0.000 1.046 16 K CA 0.713 57.016 56.287 0.025 0.000 0.952 16 K CB 0.066 32.647 32.500 0.134 0.000 0.753 16 K HN -0.053 nan 8.250 nan 0.000 0.466 17 E N -0.539 119.561 120.200 -0.167 0.000 2.474 17 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 17 E C 0.663 177.112 176.600 -0.252 0.000 1.039 17 E CA 0.369 56.559 56.400 -0.351 0.000 0.881 17 E CB 0.599 29.726 29.700 -0.955 0.000 0.970 17 E HN 0.373 nan 8.360 nan 0.000 0.486 18 G N 0.028 108.764 108.800 -0.107 0.000 2.201 18 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.212 18 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.212 18 G C 0.021 174.941 174.900 0.033 0.000 0.994 18 G CA -0.048 45.047 45.100 -0.008 0.000 0.644 18 G HN 0.148 nan 8.290 nan 0.000 0.508 19 I N 2.430 123.007 120.570 0.011 0.000 2.533 19 I HA 0.434 4.604 4.170 -0.000 0.000 0.284 19 I C 1.686 177.791 176.117 -0.020 0.000 1.109 19 I CA 1.398 62.715 61.300 0.029 0.000 1.412 19 I CB 1.661 39.685 38.000 0.041 0.000 1.396 19 I HN 0.311 nan 8.210 nan 0.000 0.543 20 T N -0.287 114.255 114.554 -0.019 0.000 3.016 20 T HA 0.290 4.640 4.350 -0.000 0.000 0.271 20 T C 0.505 175.128 174.700 -0.127 0.000 0.968 20 T CA -0.096 61.979 62.100 -0.043 0.000 0.891 20 T CB 0.040 68.919 68.868 0.019 0.000 1.149 20 T HN 0.479 nan 8.240 nan 0.000 0.524 21 T N 1.646 116.045 114.554 -0.259 0.000 2.903 21 T HA 0.812 5.162 4.350 -0.000 0.000 0.299 21 T C -1.376 172.945 174.700 -0.632 0.000 1.093 21 T CA -0.655 61.142 62.100 -0.505 0.000 1.002 21 T CB 1.923 70.356 68.868 -0.724 0.000 1.127 21 T HN 0.520 nan 8.240 nan 0.000 0.488 22 A N 1.884 124.254 122.820 -0.749 0.000 2.517 22 A HA 0.799 5.119 4.320 -0.000 0.000 0.297 22 A C -1.755 175.323 177.584 -0.844 0.000 1.050 22 A CA -0.804 50.861 52.037 -0.619 0.000 0.694 22 A CB 0.919 19.787 19.000 -0.219 0.000 1.277 22 A HN 0.668 nan 8.150 nan 0.000 0.400 23 F N 1.372 121.145 119.950 -0.295 0.000 2.458 23 F HA 0.792 5.319 4.527 -0.000 0.000 0.336 23 F C 0.940 176.631 175.800 -0.182 0.000 1.114 23 F CA 0.236 58.031 58.000 -0.342 0.000 0.987 23 F CB 2.609 41.451 39.000 -0.265 0.000 1.130 23 F HN 0.951 nan 8.300 nan 0.000 0.458 24 G N 0.734 109.549 108.800 0.024 0.000 2.488 24 G HA2 0.580 4.540 3.960 -0.000 0.000 0.301 24 G HA3 0.580 4.540 3.960 -0.000 0.000 0.301 24 G C -2.382 172.715 174.900 0.329 0.000 1.339 24 G CA -0.761 44.505 45.100 0.277 0.000 0.803 24 G HN 0.460 nan 8.290 nan 0.000 0.482 25 V N 2.208 122.289 119.914 0.278 0.000 2.524 25 V HA 0.541 4.661 4.120 -0.000 0.000 0.297 25 V C -2.146 173.975 176.094 0.045 0.000 1.035 25 V CA -1.104 61.290 62.300 0.157 0.000 0.867 25 V CB 1.985 33.856 31.823 0.080 0.000 1.004 25 V HN 0.714 nan 8.190 nan 0.000 0.426 26 P HA 0.637 nan 4.420 nan 0.000 0.276 26 P C -0.093 177.078 177.300 -0.216 0.000 1.261 26 P CA 0.004 62.808 63.100 -0.493 0.000 0.800 26 P CB 1.754 32.879 31.700 -0.957 0.000 1.066 27 G N -2.001 106.693 108.800 -0.177 0.000 2.601 27 G HA2 0.434 4.394 3.960 -0.000 0.000 0.291 27 G HA3 0.434 4.394 3.960 -0.000 0.000 0.291 27 G C 0.407 175.308 174.900 0.002 0.000 1.456 27 G CA -0.046 45.021 45.100 -0.054 0.000 0.804 27 G HN 0.380 nan 8.290 nan 0.000 0.499 28 A N 0.056 122.902 122.820 0.044 0.000 1.908 28 A HA 0.206 4.526 4.320 -0.000 0.000 0.218 28 A C 2.696 180.402 177.584 0.204 0.000 1.181 28 A CA 3.061 55.154 52.037 0.094 0.000 0.627 28 A CB -0.799 18.233 19.000 0.053 0.000 0.818 28 A HN 1.873 nan 8.150 nan 0.000 0.445 29 A N -1.470 121.458 122.820 0.179 0.000 2.067 29 A HA 0.086 4.406 4.320 -0.000 0.000 0.219 29 A C 1.732 179.473 177.584 0.262 0.000 1.158 29 A CA 1.581 53.783 52.037 0.276 0.000 0.661 29 A CB -0.289 18.804 19.000 0.156 0.000 0.801 29 A HN 0.589 nan 8.150 nan 0.000 0.452 30 I N -0.791 119.885 120.570 0.176 0.000 4.025 30 I HA 0.174 4.344 4.170 -0.000 0.000 0.336 30 I C 1.120 177.387 176.117 0.250 0.000 1.390 30 I CA -0.111 61.296 61.300 0.177 0.000 1.099 30 I CB -0.656 37.432 38.000 0.148 0.000 1.049 30 I HN 0.263 nan 8.210 nan 0.000 0.394 31 N N 1.468 120.279 118.700 0.184 0.000 2.104 31 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 31 N C -0.989 174.611 175.510 0.150 0.000 1.024 31 N CA 1.323 54.467 53.050 0.156 0.000 0.853 31 N CB -0.572 37.997 38.487 0.135 0.000 1.008 31 N HN 0.297 nan 8.380 nan 0.000 0.424 32 P HA -0.150 nan 4.420 nan 0.000 0.216 32 P C 1.021 178.336 177.300 0.024 0.000 1.150 32 P CA 0.922 63.992 63.100 -0.051 0.000 0.837 32 P CB -0.038 31.503 31.700 -0.266 0.000 0.786 33 F N -1.141 118.787 119.950 -0.036 0.000 2.102 33 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 33 F C 2.179 177.933 175.800 -0.076 0.000 1.105 33 F CA 1.571 59.534 58.000 -0.062 0.000 1.239 33 F CB -0.800 38.168 39.000 -0.054 0.000 0.991 33 F HN -0.170 nan 8.300 nan 0.000 0.474 34 Y N -0.415 119.977 120.300 0.154 0.000 2.207 34 Y HA -0.255 4.295 4.550 -0.000 0.000 0.287 34 Y C 2.998 178.857 175.900 -0.068 0.000 1.156 34 Y CA 1.761 59.874 58.100 0.022 0.000 1.182 34 Y CB -1.116 37.342 38.460 -0.004 0.000 0.979 34 Y HN 0.173 nan 8.280 nan 0.000 0.521 35 S N 0.020 115.771 115.700 0.085 0.000 2.368 35 S HA -0.072 4.398 4.470 -0.000 0.000 0.225 35 S C 1.452 176.011 174.600 -0.069 0.000 1.030 35 S CA 0.466 58.670 58.200 0.007 0.000 0.999 35 S CB -0.699 62.505 63.200 0.006 0.000 0.844 35 S HN 0.344 nan 8.310 nan 0.000 0.459 39 K N 0.256 120.627 120.400 -0.047 0.000 2.097 39 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 39 K C 1.809 178.372 176.600 -0.061 0.000 1.049 39 K CA 1.853 58.112 56.287 -0.047 0.000 0.933 39 K CB -0.221 32.252 32.500 -0.045 0.000 0.717 39 K HN 0.259 nan 8.250 nan 0.000 0.442 40 H N -0.297 118.671 119.070 -0.170 0.000 2.403 40 H HA 0.037 4.593 4.556 -0.000 0.000 0.298 40 H C 0.713 175.935 175.328 -0.177 0.000 1.059 40 H CA 1.490 57.406 56.048 -0.221 0.000 1.363 40 H CB 0.101 29.666 29.762 -0.328 0.000 1.410 40 H HN 0.417 nan 8.280 nan 0.000 0.528 41 G N -1.426 107.384 108.800 0.016 0.000 2.860 41 G HA2 -0.026 3.933 3.960 -0.000 0.000 0.553 41 G HA3 -0.026 3.933 3.960 -0.000 0.000 0.553 41 G C 0.856 175.788 174.900 0.053 0.000 1.439 41 G CA 0.417 45.517 45.100 0.000 0.000 0.879 41 G HN 1.119 nan 8.290 nan 0.000 0.545 42 G N -1.767 107.037 108.800 0.007 0.000 2.217 42 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.246 42 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.246 42 G C 0.401 175.280 174.900 -0.035 0.000 0.990 42 G CA 0.780 45.881 45.100 0.001 0.000 0.627 42 G HN 1.605 nan 8.290 nan 0.000 0.522 43 I N 1.072 121.606 120.570 -0.060 0.000 2.406 43 I HA 0.393 4.563 4.170 -0.000 0.000 0.290 43 I C 0.599 176.667 176.117 -0.082 0.000 0.999 43 I CA -0.904 60.340 61.300 -0.094 0.000 1.124 43 I CB 1.737 39.660 38.000 -0.128 0.000 1.289 43 I HN 0.065 nan 8.210 nan 0.000 0.441 44 R N 5.822 126.255 120.500 -0.111 0.000 2.216 44 R HA 0.186 4.526 4.340 -0.000 0.000 0.332 44 R C -0.543 175.647 176.300 -0.183 0.000 1.056 44 R CA -0.359 55.674 56.100 -0.110 0.000 0.901 44 R CB 0.435 30.663 30.300 -0.121 0.000 1.039 44 R HN 0.616 nan 8.270 nan 0.000 0.456 45 H N 6.699 125.656 119.070 -0.188 0.000 2.517 45 H HA 0.223 4.779 4.556 -0.000 0.000 0.317 45 H C -0.568 174.586 175.328 -0.289 0.000 1.080 45 H CA -0.415 55.505 56.048 -0.215 0.000 1.301 45 H CB 0.754 30.475 29.762 -0.068 0.000 1.425 45 H HN 0.534 nan 8.280 nan 0.000 0.471 46 I N 6.706 126.730 120.570 -0.909 0.000 2.339 46 I HA 0.028 4.198 4.170 -0.000 0.000 0.290 46 I C -0.095 175.601 176.117 -0.702 0.000 0.994 46 I CA -0.981 59.748 61.300 -0.951 0.000 1.191 46 I CB 1.575 39.163 38.000 -0.687 0.000 1.343 46 I HN 0.325 nan 8.210 nan 0.000 0.458 47 L N 7.126 128.214 121.223 -0.224 0.000 2.369 47 L HA 0.487 4.827 4.340 -0.000 0.000 0.279 47 L C 0.439 177.403 176.870 0.157 0.000 1.108 47 L CA 0.285 55.234 54.840 0.181 0.000 0.852 47 L CB 0.562 42.879 42.059 0.431 0.000 1.169 47 L HN 0.725 nan 8.230 nan 0.000 0.452 48 A N 5.469 128.350 122.820 0.101 0.000 2.272 48 A HA 0.573 4.893 4.320 -0.000 0.000 0.275 48 A C 0.732 178.378 177.584 0.104 0.000 1.096 48 A CA -0.374 51.715 52.037 0.088 0.000 0.822 48 A CB 0.401 19.431 19.000 0.049 0.000 1.088 48 A HN 0.828 nan 8.150 nan 0.000 0.495 49 R N -0.943 119.611 120.500 0.090 0.000 2.577 49 R HA 0.254 4.594 4.340 -0.000 0.000 0.344 49 R C -0.618 175.734 176.300 0.088 0.000 1.037 49 R CA 0.183 56.327 56.100 0.074 0.000 1.102 49 R CB 0.118 30.458 30.300 0.066 0.000 1.313 49 R HN 0.854 nan 8.270 nan 0.000 0.561 50 H N -1.761 117.309 119.070 -0.000 0.000 3.140 50 H HA 0.071 4.627 4.556 -0.000 0.000 0.336 50 H C 0.570 175.882 175.328 -0.026 0.000 1.142 50 H CA -0.676 55.364 56.048 -0.013 0.000 1.308 50 H CB 1.365 31.117 29.762 -0.017 0.000 1.970 50 H HN -0.184 nan 8.280 nan 0.000 0.521 51 V N 3.251 123.331 119.914 0.276 0.000 2.332 51 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 51 V C 2.217 178.329 176.094 0.030 0.000 1.055 51 V CA 2.413 64.793 62.300 0.133 0.000 1.038 51 V CB -0.358 31.523 31.823 0.096 0.000 0.651 51 V HN 0.809 nan 8.190 nan 0.000 0.450 52 E N 0.206 120.411 120.200 0.008 0.000 2.118 52 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 52 E C 2.280 178.688 176.600 -0.321 0.000 0.992 52 E CA 1.452 57.686 56.400 -0.277 0.000 0.804 52 E CB -0.402 29.061 29.700 -0.394 0.000 0.741 52 E HN 0.623 nan 8.360 nan 0.000 0.458 53 G N 0.769 109.479 108.800 -0.149 0.000 2.446 53 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 53 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 53 G C 1.660 176.452 174.900 -0.180 0.000 1.168 53 G CA 1.110 46.140 45.100 -0.117 0.000 0.771 53 G HN 0.417 nan 8.290 nan 0.000 0.551 54 A N 1.235 123.984 122.820 -0.119 0.000 1.940 54 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 54 A C 2.759 180.232 177.584 -0.184 0.000 1.176 54 A CA 2.703 54.674 52.037 -0.110 0.000 0.631 54 A CB -0.741 18.262 19.000 0.006 0.000 0.814 54 A HN 0.728 nan 8.150 nan 0.000 0.446 55 S N -0.572 114.994 115.700 -0.224 0.000 2.368 55 S HA -0.093 4.377 4.470 -0.000 0.000 0.224 55 S C 1.192 175.635 174.600 -0.263 0.000 1.029 55 S CA 0.667 58.720 58.200 -0.246 0.000 0.988 55 S CB -0.679 62.348 63.200 -0.289 0.000 0.838 55 S HN 0.632 nan 8.310 nan 0.000 0.462 59 E N 0.543 120.711 120.200 -0.053 0.000 2.051 59 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 59 E C 2.032 178.636 176.600 0.007 0.000 0.991 59 E CA 1.180 57.611 56.400 0.053 0.000 0.799 59 E CB -0.219 29.603 29.700 0.203 0.000 0.748 59 E HN 0.592 nan 8.360 nan 0.000 0.449 60 G N 0.490 109.174 108.800 -0.193 0.000 2.418 60 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 60 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 60 G C 1.408 176.258 174.900 -0.083 0.000 1.158 60 G CA 0.864 45.829 45.100 -0.225 0.000 0.771 60 G HN 0.285 nan 8.290 nan 0.000 0.545 61 Y N 1.700 121.914 120.300 -0.142 0.000 2.165 61 Y HA -0.176 4.374 4.550 -0.000 0.000 0.286 61 Y C 3.124 179.035 175.900 0.019 0.000 1.155 61 Y CA 2.289 60.388 58.100 -0.002 0.000 1.164 61 Y CB -0.286 38.285 38.460 0.184 0.000 0.978 61 Y HN 0.203 nan 8.280 nan 0.000 0.513 62 T N 0.330 115.006 114.554 0.204 0.000 2.674 62 T HA -0.175 4.175 4.350 -0.000 0.000 0.265 62 T C 1.788 176.506 174.700 0.029 0.000 1.039 62 T CA 1.871 64.048 62.100 0.128 0.000 1.150 62 T CB -0.222 68.723 68.868 0.129 0.000 0.864 62 T HN 0.312 nan 8.240 nan 0.000 0.427 63 R N 0.921 121.438 120.500 0.029 0.000 2.237 63 R HA 0.137 4.476 4.340 -0.000 0.000 0.219 63 R C 2.603 178.890 176.300 -0.022 0.000 1.080 63 R CA 0.829 56.941 56.100 0.022 0.000 0.995 63 R CB -0.291 30.047 30.300 0.063 0.000 0.875 63 R HN 0.331 nan 8.270 nan 0.000 0.462 64 A N 0.292 123.064 122.820 -0.081 0.000 1.898 64 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 64 A C 0.764 178.292 177.584 -0.093 0.000 1.181 64 A CA 1.205 53.171 52.037 -0.117 0.000 0.620 64 A CB 0.234 19.117 19.000 -0.194 0.000 0.819 64 A HN 0.203 nan 8.150 nan 0.000 0.442 65 T N -2.511 111.980 114.554 -0.104 0.000 2.956 65 T HA 0.540 4.890 4.350 -0.000 0.000 0.312 65 T C 0.949 175.626 174.700 -0.039 0.000 1.151 65 T CA -0.150 61.906 62.100 -0.073 0.000 1.024 65 T CB 1.798 70.600 68.868 -0.110 0.000 1.140 65 T HN 0.411 nan 8.240 nan 0.000 0.473 66 A N 1.908 124.721 122.820 -0.012 0.000 1.903 66 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 66 A C 2.191 179.787 177.584 0.021 0.000 1.191 66 A CA 2.306 54.347 52.037 0.007 0.000 0.638 66 A CB -1.188 17.819 19.000 0.010 0.000 0.823 66 A HN 0.993 nan 8.150 nan 0.000 0.451 67 G N -1.054 107.760 108.800 0.024 0.000 2.985 67 G HA2 0.084 4.044 3.960 -0.000 0.000 0.209 67 G HA3 0.084 4.044 3.960 -0.000 0.000 0.209 67 G C 0.282 175.232 174.900 0.084 0.000 1.165 67 G CA -0.183 44.949 45.100 0.053 0.000 0.776 67 G HN 0.424 nan 8.290 nan 0.000 0.541 68 N N 0.928 119.662 118.700 0.058 0.000 2.492 68 N HA 0.235 4.974 4.740 -0.000 0.000 0.262 68 N C -0.326 175.304 175.510 0.201 0.000 1.202 68 N CA 0.176 53.294 53.050 0.113 0.000 0.926 68 N CB 1.153 39.597 38.487 -0.072 0.000 1.078 68 N HN -0.050 nan 8.380 nan 0.000 0.454 69 I N 1.352 122.107 120.570 0.308 0.000 2.466 69 I HA 0.266 4.436 4.170 -0.000 0.000 0.279 69 I C 0.856 177.130 176.117 0.262 0.000 1.033 69 I CA -0.696 60.752 61.300 0.246 0.000 1.123 69 I CB 0.906 39.039 38.000 0.221 0.000 1.237 69 I HN 0.387 nan 8.210 nan 0.000 0.460 70 G N 5.581 114.547 108.800 0.277 0.000 2.398 70 G HA2 0.410 4.370 3.960 -0.000 0.000 0.246 70 G HA3 0.410 4.370 3.960 -0.000 0.000 0.246 70 G C -0.305 174.622 174.900 0.046 0.000 1.289 70 G CA -0.093 45.103 45.100 0.159 0.000 0.869 70 G HN 0.345 nan 8.290 nan 0.000 0.543 71 V N 1.625 121.526 119.914 -0.022 0.000 2.495 71 V HA 0.453 4.573 4.120 -0.000 0.000 0.298 71 V C -0.131 175.974 176.094 0.017 0.000 1.031 71 V CA -0.919 61.361 62.300 -0.034 0.000 0.871 71 V CB 1.541 33.316 31.823 -0.079 0.000 0.988 71 V HN 0.911 nan 8.190 nan 0.000 0.432 72 C N 7.061 126.356 119.300 -0.009 0.000 2.340 72 C HA 0.816 5.276 4.460 -0.000 0.000 0.323 72 C C -0.864 174.099 174.990 -0.046 0.000 1.260 72 C CA -0.460 58.560 59.018 0.004 0.000 1.464 72 C CB 0.095 27.826 27.740 -0.016 0.000 2.156 72 C HN 0.774 nan 8.230 nan 0.000 0.476 73 L N 5.709 126.931 121.223 -0.002 0.000 2.341 73 L HA 0.913 5.253 4.340 -0.000 0.000 0.278 73 L C 0.610 177.524 176.870 0.075 0.000 1.005 73 L CA 0.524 55.351 54.840 -0.022 0.000 0.818 73 L CB 1.768 43.831 42.059 0.007 0.000 1.259 73 L HN 0.967 nan 8.230 nan 0.000 0.418 74 G N 0.345 109.159 108.800 0.024 0.000 2.682 74 G HA2 0.530 4.490 3.960 -0.000 0.000 0.290 74 G HA3 0.530 4.490 3.960 -0.000 0.000 0.290 74 G C -1.031 173.884 174.900 0.024 0.000 1.425 74 G CA -0.306 44.819 45.100 0.041 0.000 0.807 74 G HN 0.466 nan 8.290 nan 0.000 0.482 75 T N -0.856 113.708 114.554 0.016 0.000 2.865 75 T HA 0.561 4.911 4.350 -0.000 0.000 0.302 75 T C 1.543 176.240 174.700 -0.005 0.000 1.078 75 T CA 0.566 62.675 62.100 0.015 0.000 0.942 75 T CB 0.251 69.126 68.868 0.012 0.000 1.387 75 T HN 1.208 nan 8.240 nan 0.000 0.557 76 S N -0.827 114.870 115.700 -0.006 0.000 2.641 76 S HA 0.580 5.050 4.470 -0.000 0.000 0.261 76 S C 1.276 175.833 174.600 -0.071 0.000 1.257 76 S CA 0.034 58.214 58.200 -0.032 0.000 0.983 76 S CB -0.116 63.067 63.200 -0.027 0.000 0.990 76 S HN 1.637 nan 8.310 nan 0.000 0.572 77 G N 1.298 110.043 108.800 -0.092 0.000 2.602 77 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.310 77 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.310 77 G C -1.329 173.517 174.900 -0.091 0.000 1.183 77 G CA 0.241 45.266 45.100 -0.124 0.000 0.979 77 G HN 0.770 nan 8.290 nan 0.000 0.545 78 P HA 0.146 nan 4.420 nan 0.000 0.233 78 P C 1.772 179.053 177.300 -0.033 0.000 1.167 78 P CA 2.296 65.359 63.100 -0.062 0.000 0.770 78 P CB -0.282 31.377 31.700 -0.069 0.000 0.837 79 A N 0.888 123.687 122.820 -0.035 0.000 1.898 79 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 79 A C 2.573 180.148 177.584 -0.014 0.000 1.181 79 A CA 1.911 53.939 52.037 -0.014 0.000 0.620 79 A CB -1.871 17.121 19.000 -0.013 0.000 0.819 79 A HN 0.286 nan 8.150 nan 0.000 0.442 80 G N -0.479 108.305 108.800 -0.026 0.000 2.408 80 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 80 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 80 G C 1.695 176.584 174.900 -0.018 0.000 1.150 80 G CA 1.931 47.016 45.100 -0.026 0.000 0.776 80 G HN 0.691 nan 8.290 nan 0.000 0.542 81 T N -1.591 112.953 114.554 -0.017 0.000 3.035 81 T HA 0.057 4.407 4.350 -0.000 0.000 0.268 81 T C 0.764 175.470 174.700 0.009 0.000 1.109 81 T CA 0.672 62.768 62.100 -0.007 0.000 1.119 81 T CB 0.010 68.870 68.868 -0.014 0.000 0.900 81 T HN 0.076 nan 8.240 nan 0.000 0.503 85 T N 2.173 116.806 114.554 0.132 0.000 2.788 85 T HA -0.069 4.281 4.350 -0.000 0.000 0.268 85 T C 1.914 176.779 174.700 0.276 0.000 1.044 85 T CA 2.144 64.385 62.100 0.235 0.000 1.139 85 T CB -0.058 68.952 68.868 0.237 0.000 0.867 85 T HN 0.434 nan 8.240 nan 0.000 0.454 86 A N 1.023 123.962 122.820 0.198 0.000 1.897 86 A HA 0.108 4.428 4.320 -0.000 0.000 0.215 86 A C 2.290 179.961 177.584 0.144 0.000 1.181 86 A CA 0.921 53.090 52.037 0.220 0.000 0.620 86 A CB -0.747 18.246 19.000 -0.013 0.000 0.821 86 A HN 0.455 nan 8.150 nan 0.000 0.443 87 L N -1.591 119.694 121.223 0.104 0.000 2.042 87 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 87 L C 2.636 179.590 176.870 0.139 0.000 1.076 87 L CA 1.887 56.782 54.840 0.092 0.000 0.749 87 L CB -0.696 41.404 42.059 0.068 0.000 0.893 87 L HN 0.621 nan 8.230 nan 0.000 0.432 88 Y N 0.320 120.642 120.300 0.036 0.000 2.114 88 Y HA -0.300 4.250 4.550 -0.000 0.000 0.284 88 Y C 2.930 178.840 175.900 0.017 0.000 1.143 88 Y CA 1.487 59.601 58.100 0.023 0.000 1.135 88 Y CB -0.793 37.680 38.460 0.021 0.000 0.980 88 Y HN 0.107 nan 8.280 nan 0.000 0.499 89 S N 0.130 115.690 115.700 -0.235 0.000 2.359 89 S HA -0.225 4.245 4.470 -0.000 0.000 0.224 89 S C 2.281 176.772 174.600 -0.182 0.000 1.035 89 S CA 1.748 59.735 58.200 -0.355 0.000 1.018 89 S CB -0.951 62.153 63.200 -0.161 0.000 0.876 89 S HN 0.672 nan 8.310 nan 0.000 0.448 90 A N 0.576 123.379 122.820 -0.028 0.000 1.873 90 A HA 0.015 4.335 4.320 -0.000 0.000 0.215 90 A C 2.455 180.031 177.584 -0.013 0.000 1.186 90 A CA 1.961 54.002 52.037 0.007 0.000 0.616 90 A CB -1.257 17.773 19.000 0.049 0.000 0.823 90 A HN 0.565 nan 8.150 nan 0.000 0.442 91 S N -0.019 115.686 115.700 0.007 0.000 2.359 91 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 91 S C 2.333 176.932 174.600 -0.002 0.000 1.039 91 S CA 1.469 59.684 58.200 0.025 0.000 1.042 91 S CB -0.583 62.666 63.200 0.083 0.000 0.915 91 S HN 0.828 nan 8.310 nan 0.000 0.439 92 A N 1.482 124.271 122.820 -0.052 0.000 1.940 92 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 92 A C 1.447 178.977 177.584 -0.090 0.000 1.176 92 A CA 1.733 53.718 52.037 -0.088 0.000 0.631 92 A CB -0.402 18.428 19.000 -0.284 0.000 0.814 92 A HN 0.384 nan 8.150 nan 0.000 0.446 93 D N -0.521 119.816 120.400 -0.104 0.000 2.342 93 D HA 0.227 4.867 4.640 -0.000 0.000 0.221 93 D C 0.132 176.408 176.300 -0.039 0.000 1.101 93 D CA 0.663 54.615 54.000 -0.080 0.000 0.837 93 D CB 0.112 40.851 40.800 -0.103 0.000 0.938 93 D HN 0.224 nan 8.370 nan 0.000 0.508 94 S N -0.003 115.682 115.700 -0.026 0.000 3.682 94 S HA -0.224 4.246 4.470 -0.000 0.000 0.354 94 S C 0.237 174.834 174.600 -0.004 0.000 1.034 94 S CA 0.466 58.659 58.200 -0.011 0.000 1.084 94 S CB -2.067 61.125 63.200 -0.013 0.000 0.903 94 S HN 0.561 nan 8.310 nan 0.000 0.470 95 I N -2.349 118.222 120.570 0.002 0.000 2.689 95 I HA 0.899 5.069 4.170 -0.000 0.000 0.299 95 I C -2.899 173.229 176.117 0.019 0.000 1.059 95 I CA -2.689 58.621 61.300 0.017 0.000 1.055 95 I CB 2.027 40.045 38.000 0.031 0.000 1.243 95 I HN -0.206 nan 8.210 nan 0.000 0.425 96 P HA 0.554 nan 4.420 nan 0.000 0.292 96 P C -1.026 176.285 177.300 0.020 0.000 1.283 96 P CA -0.342 62.762 63.100 0.006 0.000 0.835 96 P CB 1.609 33.303 31.700 -0.010 0.000 1.017 97 I N -0.098 120.472 120.570 0.001 0.000 2.934 97 I HA 0.627 4.797 4.170 -0.000 0.000 0.306 97 I C -1.281 174.801 176.117 -0.059 0.000 1.110 97 I CA -1.700 59.598 61.300 -0.003 0.000 1.019 97 I CB 2.319 40.331 38.000 0.020 0.000 1.227 97 I HN 0.054 nan 8.210 nan 0.000 0.434 98 L N 4.593 125.769 121.223 -0.079 0.000 2.295 98 L HA 0.552 4.892 4.340 -0.000 0.000 0.281 98 L C -0.931 175.885 176.870 -0.090 0.000 1.018 98 L CA -0.042 54.722 54.840 -0.126 0.000 0.841 98 L CB 0.768 42.704 42.059 -0.205 0.000 1.218 98 L HN 0.799 nan 8.230 nan 0.000 0.424 99 C N 5.872 125.122 119.300 -0.084 0.000 2.330 99 C HA 0.597 5.057 4.460 -0.000 0.000 0.344 99 C C 0.266 175.189 174.990 -0.112 0.000 1.273 99 C CA -0.731 58.237 59.018 -0.083 0.000 1.879 99 C CB -0.034 27.670 27.740 -0.060 0.000 2.376 99 C HN 0.676 nan 8.230 nan 0.000 0.534 100 I N 3.726 124.201 120.570 -0.159 0.000 2.447 100 I HA 0.394 4.564 4.170 -0.000 0.000 0.287 100 I C 0.235 176.230 176.117 -0.203 0.000 1.023 100 I CA 0.119 61.282 61.300 -0.228 0.000 1.083 100 I CB 1.808 39.545 38.000 -0.438 0.000 1.245 100 I HN 0.715 nan 8.210 nan 0.000 0.434 101 T N 1.777 116.248 114.554 -0.138 0.000 2.885 101 T HA 0.694 5.044 4.350 -0.000 0.000 0.285 101 T C 0.255 174.916 174.700 -0.065 0.000 1.019 101 T CA -0.790 61.258 62.100 -0.087 0.000 1.010 101 T CB 1.873 70.709 68.868 -0.053 0.000 1.022 101 T HN 0.616 nan 8.240 nan 0.000 0.466 102 G N 0.486 109.271 108.800 -0.025 0.000 2.634 102 G HA2 0.512 4.472 3.960 -0.000 0.000 0.255 102 G HA3 0.512 4.472 3.960 -0.000 0.000 0.255 102 G C -0.712 174.206 174.900 0.030 0.000 1.205 102 G CA -0.344 44.773 45.100 0.027 0.000 0.884 102 G HN 0.905 nan 8.290 nan 0.000 0.549 103 Q N -1.486 118.354 119.800 0.067 0.000 2.527 103 Q HA 0.563 4.903 4.340 -0.000 0.000 0.280 103 Q C -0.329 175.726 176.000 0.091 0.000 0.977 103 Q CA -0.260 55.572 55.803 0.048 0.000 0.837 103 Q CB 1.325 30.076 28.738 0.023 0.000 1.454 103 Q HN 1.061 nan 8.270 nan 0.000 0.387 104 A N 3.151 126.002 122.820 0.052 0.000 2.448 104 A HA 0.567 4.887 4.320 -0.000 0.000 0.239 104 A C -2.219 175.411 177.584 0.077 0.000 1.080 104 A CA -0.678 51.392 52.037 0.055 0.000 0.779 104 A CB -0.609 18.400 19.000 0.016 0.000 1.026 104 A HN 0.624 nan 8.150 nan 0.000 0.499 105 P HA 0.126 nan 4.420 nan 0.000 0.268 105 P C 0.276 177.614 177.300 0.064 0.000 1.208 105 P CA -0.066 63.093 63.100 0.098 0.000 0.777 105 P CB 0.388 32.139 31.700 0.085 0.000 0.875 106 R N 2.222 122.763 120.500 0.067 0.000 2.105 106 R HA -0.135 4.205 4.340 -0.000 0.000 0.239 106 R C 2.138 178.478 176.300 0.067 0.000 1.135 106 R CA 1.983 58.119 56.100 0.061 0.000 0.967 106 R CB -1.338 28.999 30.300 0.061 0.000 0.861 106 R HN 0.502 nan 8.270 nan 0.000 0.442 107 A N 0.929 123.785 122.820 0.060 0.000 2.125 107 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 107 A C 1.561 179.181 177.584 0.059 0.000 1.156 107 A CA 1.226 53.298 52.037 0.058 0.000 0.671 107 A CB -0.179 18.848 19.000 0.046 0.000 0.794 107 A HN 0.247 nan 8.150 nan 0.000 0.459 108 R N -1.140 119.389 120.500 0.048 0.000 2.508 108 R HA 0.374 4.714 4.340 -0.000 0.000 0.300 108 R C 0.963 177.270 176.300 0.011 0.000 0.970 108 R CA -0.219 55.902 56.100 0.036 0.000 1.102 108 R CB 0.009 30.323 30.300 0.023 0.000 1.246 108 R HN 0.381 nan 8.270 nan 0.000 0.539 109 L N -0.006 121.214 121.223 -0.004 0.000 2.265 109 L HA -0.153 4.187 4.340 -0.000 0.000 0.215 109 L C 1.085 177.767 176.870 -0.313 0.000 1.117 109 L CA 1.555 56.312 54.840 -0.140 0.000 0.782 109 L CB -0.160 41.800 42.059 -0.165 0.000 0.914 109 L HN 0.332 nan 8.230 nan 0.000 0.441 110 H N -1.840 117.236 119.070 0.010 0.000 2.755 110 H HA 0.159 4.715 4.556 -0.000 0.000 0.273 110 H C 0.176 175.509 175.328 0.007 0.000 1.055 110 H CA -0.350 55.702 56.048 0.007 0.000 1.191 110 H CB 0.456 30.222 29.762 0.007 0.000 1.536 110 H HN 0.002 nan 8.280 nan 0.000 0.529 111 K N 1.108 121.557 120.400 0.082 0.000 2.126 111 K HA 0.117 4.437 4.320 -0.000 0.000 0.257 111 K C -0.010 176.603 176.600 0.022 0.000 1.007 111 K CA -0.174 56.142 56.287 0.049 0.000 0.928 111 K CB 0.955 33.479 32.500 0.039 0.000 1.013 111 K HN 0.346 nan 8.250 nan 0.000 0.473 112 E N 1.498 121.711 120.200 0.021 0.000 2.148 112 E HA 0.015 4.365 4.350 -0.000 0.000 0.308 112 E C -0.834 175.778 176.600 0.021 0.000 1.278 112 E CA -0.117 56.288 56.400 0.009 0.000 1.368 112 E CB -0.104 29.605 29.700 0.014 0.000 1.229 112 E HN 0.321 nan 8.360 nan 0.000 0.494 113 D N 0.730 121.139 120.400 0.014 0.000 2.414 113 D HA -0.031 4.609 4.640 -0.000 0.000 0.242 113 D C -0.457 175.880 176.300 0.062 0.000 1.129 113 D CA -0.208 53.817 54.000 0.043 0.000 0.885 113 D CB 0.434 41.249 40.800 0.024 0.000 1.198 113 D HN 0.131 nan 8.370 nan 0.000 0.437 114 F N 3.049 122.979 119.950 -0.034 0.000 2.604 114 F HA -0.085 4.442 4.527 -0.000 0.000 0.393 114 F C 1.008 176.789 175.800 -0.032 0.000 1.043 114 F CA 0.658 58.638 58.000 -0.033 0.000 1.227 114 F CB 0.018 38.996 39.000 -0.037 0.000 1.016 114 F HN 0.547 nan 8.300 nan 0.000 0.556 115 Q N 2.387 121.758 119.800 -0.715 0.000 2.481 115 Q HA -0.233 4.107 4.340 -0.000 0.000 0.272 115 Q C -0.569 175.284 176.000 -0.244 0.000 1.157 115 Q CA 0.609 56.074 55.803 -0.564 0.000 0.935 115 Q CB -1.582 26.742 28.738 -0.691 0.000 1.338 115 Q HN 0.779 nan 8.270 nan 0.000 0.494 116 A N 0.471 123.192 122.820 -0.166 0.000 2.258 116 A HA 0.706 5.026 4.320 -0.000 0.000 0.316 116 A C -0.483 177.036 177.584 -0.107 0.000 1.279 116 A CA -0.279 51.694 52.037 -0.107 0.000 0.876 116 A CB 1.577 20.531 19.000 -0.077 0.000 1.170 116 A HN 0.192 nan 8.150 nan 0.000 0.520 117 V N 2.033 121.889 119.914 -0.096 0.000 2.962 117 V HA 0.457 4.577 4.120 -0.000 0.000 0.313 117 V C -0.875 175.173 176.094 -0.076 0.000 1.099 117 V CA -0.630 61.620 62.300 -0.084 0.000 0.971 117 V CB 2.226 34.004 31.823 -0.076 0.000 1.028 117 V HN 0.887 nan 8.190 nan 0.000 0.430 118 D N 4.040 124.400 120.400 -0.067 0.000 2.688 118 D HA 0.068 4.708 4.640 -0.000 0.000 0.228 118 D C 0.974 177.253 176.300 -0.035 0.000 1.116 118 D CA -0.016 53.952 54.000 -0.054 0.000 1.023 118 D CB 0.141 40.917 40.800 -0.041 0.000 1.100 118 D HN 0.484 nan 8.370 nan 0.000 0.487 119 I N 1.605 122.153 120.570 -0.036 0.000 2.361 119 I HA -0.162 4.008 4.170 -0.000 0.000 0.251 119 I C 1.928 178.034 176.117 -0.018 0.000 1.133 119 I CA 1.288 62.571 61.300 -0.028 0.000 1.413 119 I CB -0.127 37.855 38.000 -0.031 0.000 1.073 119 I HN 0.387 nan 8.210 nan 0.000 0.424 120 E N 0.483 120.674 120.200 -0.016 0.000 2.049 120 E HA -0.283 4.067 4.350 -0.000 0.000 0.198 120 E C 2.213 178.811 176.600 -0.003 0.000 1.007 120 E CA 1.644 58.040 56.400 -0.006 0.000 0.809 120 E CB -0.281 29.419 29.700 -0.000 0.000 0.749 120 E HN 0.574 nan 8.360 nan 0.000 0.450 121 A N 0.574 123.392 122.820 -0.003 0.000 1.930 121 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 121 A C 2.175 179.756 177.584 -0.005 0.000 1.175 121 A CA 1.317 53.354 52.037 -0.001 0.000 0.627 121 A CB -0.543 18.458 19.000 0.002 0.000 0.815 121 A HN 0.356 nan 8.150 nan 0.000 0.443 122 I N -0.479 120.085 120.570 -0.010 0.000 2.315 122 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 122 I C 2.697 178.809 176.117 -0.009 0.000 1.117 122 I CA 1.126 62.419 61.300 -0.012 0.000 1.404 122 I CB -0.139 37.852 38.000 -0.015 0.000 1.071 122 I HN 0.336 nan 8.210 nan 0.000 0.419 123 A N 0.028 122.845 122.820 -0.005 0.000 2.132 123 A HA -0.075 4.245 4.320 -0.000 0.000 0.213 123 A C 2.234 179.820 177.584 0.005 0.000 1.154 123 A CA 0.491 52.528 52.037 0.001 0.000 0.753 123 A CB -0.255 18.744 19.000 -0.002 0.000 0.826 123 A HN 0.242 nan 8.150 nan 0.000 0.469 124 K N 0.500 120.902 120.400 0.002 0.000 2.059 124 K HA -0.158 4.162 4.320 -0.000 0.000 0.212 124 K C -1.081 175.523 176.600 0.007 0.000 1.050 124 K CA 2.092 58.382 56.287 0.005 0.000 0.927 124 K CB -0.740 31.763 32.500 0.004 0.000 0.714 124 K HN 0.365 nan 8.250 nan 0.000 0.447 125 P HA -0.072 nan 4.420 nan 0.000 0.230 125 P C 0.137 177.444 177.300 0.012 0.000 1.158 125 P CA 0.857 63.957 63.100 -0.001 0.000 0.769 125 P CB 0.232 31.921 31.700 -0.019 0.000 0.807 126 V N -4.239 115.690 119.914 0.025 0.000 2.909 126 V HA 0.472 4.592 4.120 -0.000 0.000 0.362 126 V C -0.172 175.959 176.094 0.062 0.000 1.356 126 V CA -0.373 61.966 62.300 0.065 0.000 1.195 126 V CB -0.446 31.433 31.823 0.093 0.000 1.256 126 V HN 0.062 nan 8.190 nan 0.000 0.567 127 S N -1.474 114.249 115.700 0.038 0.000 2.550 127 S HA 0.613 5.083 4.470 -0.000 0.000 0.270 127 S C -0.656 173.955 174.600 0.019 0.000 1.145 127 S CA -1.044 57.172 58.200 0.026 0.000 0.852 127 S CB 2.053 65.262 63.200 0.014 0.000 1.119 127 S HN 0.319 nan 8.310 nan 0.000 0.465 131 V N 2.177 122.091 119.914 0.000 0.000 2.808 131 V HA 0.801 4.921 4.120 -0.000 0.000 0.308 131 V C -0.443 175.653 176.094 0.004 0.000 1.099 131 V CA -0.114 62.190 62.300 0.007 0.000 0.920 131 V CB 2.395 34.226 31.823 0.014 0.000 1.014 131 V HN 1.062 nan 8.190 nan 0.000 0.425 132 T N 5.770 120.329 114.554 0.008 0.000 2.743 132 T HA 0.414 4.764 4.350 -0.000 0.000 0.293 132 T C -0.194 174.516 174.700 0.017 0.000 0.945 132 T CA -0.141 61.965 62.100 0.009 0.000 1.030 132 T CB 1.052 69.926 68.868 0.009 0.000 0.912 132 T HN 0.575 nan 8.240 nan 0.000 0.483 133 V N 5.995 125.919 119.914 0.016 0.000 2.439 133 V HA 0.143 4.263 4.120 -0.000 0.000 0.271 133 V C 1.466 177.574 176.094 0.024 0.000 1.040 133 V CA -0.206 62.106 62.300 0.020 0.000 1.002 133 V CB 0.523 32.357 31.823 0.017 0.000 1.000 133 V HN 0.766 nan 8.190 nan 0.000 0.477 134 R N 2.347 122.864 120.500 0.028 0.000 2.280 134 R HA 0.259 4.599 4.340 -0.000 0.000 0.195 134 R C 0.177 176.495 176.300 0.030 0.000 0.935 134 R CA 0.159 56.278 56.100 0.032 0.000 1.033 134 R CB 0.457 30.777 30.300 0.033 0.000 0.964 134 R HN 0.626 nan 8.270 nan 0.000 0.489 135 E N -0.834 119.382 120.200 0.026 0.000 2.314 135 E HA 0.375 4.725 4.350 -0.000 0.000 0.272 135 E C -0.019 176.591 176.600 0.016 0.000 0.884 135 E CA -0.373 56.042 56.400 0.024 0.000 0.753 135 E CB 2.037 31.752 29.700 0.026 0.000 1.213 135 E HN -0.113 nan 8.360 nan 0.000 0.432 136 A N 2.241 125.068 122.820 0.012 0.000 1.892 136 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 136 A C 1.921 179.500 177.584 -0.009 0.000 1.188 136 A CA 2.542 54.578 52.037 -0.002 0.000 0.631 136 A CB -0.560 18.439 19.000 -0.002 0.000 0.822 136 A HN 0.617 nan 8.150 nan 0.000 0.447 137 A N -0.848 121.978 122.820 0.010 0.000 2.125 137 A HA 0.098 4.418 4.320 -0.000 0.000 0.219 137 A C 1.966 179.566 177.584 0.026 0.000 1.156 137 A CA 1.232 53.283 52.037 0.023 0.000 0.671 137 A CB -0.489 18.539 19.000 0.046 0.000 0.794 137 A HN 0.492 nan 8.150 nan 0.000 0.459 138 L N -0.815 120.421 121.223 0.022 0.000 2.492 138 L HA -0.048 4.292 4.340 -0.000 0.000 0.223 138 L C 2.193 179.074 176.870 0.017 0.000 1.132 138 L CA 0.051 54.908 54.840 0.030 0.000 0.850 138 L CB -0.280 41.798 42.059 0.032 0.000 0.966 138 L HN 0.208 nan 8.230 nan 0.000 0.454 139 V N 1.234 121.140 119.914 -0.012 0.000 2.231 139 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 139 V C -0.027 176.044 176.094 -0.039 0.000 1.054 139 V CA 2.299 64.584 62.300 -0.025 0.000 1.015 139 V CB -1.735 30.059 31.823 -0.048 0.000 0.638 139 V HN 0.393 nan 8.190 nan 0.000 0.444 140 P HA -0.142 nan 4.420 nan 0.000 0.220 140 P C 1.370 178.709 177.300 0.065 0.000 1.148 140 P CA 1.269 64.284 63.100 -0.143 0.000 0.803 140 P CB -0.140 31.291 31.700 -0.449 0.000 0.782 141 R N -0.271 120.286 120.500 0.096 0.000 2.093 141 R HA 0.033 4.373 4.340 -0.000 0.000 0.224 141 R C 2.357 178.735 176.300 0.131 0.000 1.101 141 R CA 0.647 56.835 56.100 0.146 0.000 0.979 141 R CB -1.687 28.682 30.300 0.114 0.000 0.877 141 R HN 0.170 nan 8.270 nan 0.000 0.441 142 V N 1.802 121.772 119.914 0.094 0.000 2.358 142 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 142 V C 2.484 178.651 176.094 0.121 0.000 1.047 142 V CA 1.452 63.804 62.300 0.087 0.000 1.035 142 V CB -0.475 31.381 31.823 0.055 0.000 0.658 142 V HN 0.155 nan 8.190 nan 0.000 0.452 143 L N -0.469 120.840 121.223 0.143 0.000 2.046 143 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 143 L C 2.640 179.745 176.870 0.392 0.000 1.077 143 L CA 1.908 56.891 54.840 0.238 0.000 0.747 143 L CB -0.648 41.542 42.059 0.217 0.000 0.896 143 L HN 0.378 nan 8.230 nan 0.000 0.432 144 Q N -0.085 119.920 119.800 0.342 0.000 2.077 144 Q HA -0.330 4.010 4.340 -0.000 0.000 0.206 144 Q C 2.276 178.468 176.000 0.319 0.000 0.989 144 Q CA 2.214 58.255 55.803 0.397 0.000 0.853 144 Q CB -0.048 28.918 28.738 0.379 0.000 0.907 144 Q HN 0.326 nan 8.270 nan 0.000 0.418 145 Q N -0.172 119.764 119.800 0.227 0.000 2.119 145 Q HA -0.090 4.250 4.340 -0.000 0.000 0.201 145 Q C 1.718 177.846 176.000 0.213 0.000 0.972 145 Q CA 1.722 57.641 55.803 0.193 0.000 0.847 145 Q CB -0.405 28.409 28.738 0.127 0.000 0.903 145 Q HN 0.478 nan 8.270 nan 0.000 0.433 146 A N -0.692 122.228 122.820 0.168 0.000 1.902 146 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 146 A C 1.828 179.409 177.584 -0.005 0.000 1.181 146 A CA 1.382 53.442 52.037 0.039 0.000 0.623 146 A CB -0.882 18.081 19.000 -0.061 0.000 0.818 146 A HN 0.473 nan 8.150 nan 0.000 0.443 147 F N -0.919 119.106 119.950 0.124 0.000 2.325 147 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 147 F C 2.315 178.195 175.800 0.133 0.000 1.090 147 F CA 1.433 59.505 58.000 0.120 0.000 1.392 147 F CB -0.390 38.692 39.000 0.137 0.000 1.053 147 F HN 0.476 nan 8.300 nan 0.000 0.521 148 H N 0.824 120.037 119.070 0.237 0.000 2.293 148 H HA -0.075 4.481 4.556 -0.000 0.000 0.300 148 H C 1.211 176.610 175.328 0.118 0.000 1.082 148 H CA 0.967 57.110 56.048 0.158 0.000 1.308 148 H CB -0.440 29.397 29.762 0.125 0.000 1.375 148 H HN 0.103 nan 8.280 nan 0.000 0.495 152 S N 0.348 115.988 115.700 -0.101 0.000 2.646 152 S HA 0.573 5.043 4.470 -0.000 0.000 0.276 152 S C 0.786 175.366 174.600 -0.033 0.000 1.222 152 S CA 0.278 58.418 58.200 -0.099 0.000 1.014 152 S CB 1.537 64.578 63.200 -0.265 0.000 0.991 152 S HN 0.529 nan 8.310 nan 0.000 0.533 153 G N 2.198 110.999 108.800 0.003 0.000 2.634 153 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.309 153 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.309 153 G C 0.018 174.910 174.900 -0.013 0.000 1.265 153 G CA 0.429 45.544 45.100 0.025 0.000 0.998 153 G HN 0.804 nan 8.290 nan 0.000 0.551 154 R N 2.031 122.536 120.500 0.008 0.000 2.288 154 R HA 0.417 4.757 4.340 -0.000 0.000 0.330 154 R C -2.204 174.093 176.300 -0.004 0.000 1.069 154 R CA -1.205 54.894 56.100 -0.002 0.000 0.941 154 R CB 0.414 30.718 30.300 0.007 0.000 0.998 154 R HN 0.260 nan 8.270 nan 0.000 0.452 155 P HA 0.204 nan 4.420 nan 0.000 0.271 155 P C -0.618 176.679 177.300 -0.004 0.000 1.218 155 P CA -0.158 62.936 63.100 -0.010 0.000 0.780 155 P CB 1.348 33.045 31.700 -0.005 0.000 0.901 156 G N 1.382 110.177 108.800 -0.007 0.000 2.608 156 G HA2 0.568 4.528 3.960 -0.000 0.000 0.291 156 G HA3 0.568 4.528 3.960 -0.000 0.000 0.291 156 G C -3.273 171.620 174.900 -0.012 0.000 1.425 156 G CA -1.133 43.966 45.100 -0.002 0.000 0.787 156 G HN 0.253 nan 8.290 nan 0.000 0.484 157 P HA 0.590 nan 4.420 nan 0.000 0.278 157 P C -0.820 176.462 177.300 -0.030 0.000 1.258 157 P CA -0.497 62.592 63.100 -0.018 0.000 0.811 157 P CB 2.119 33.821 31.700 0.004 0.000 1.063 158 V N 2.031 121.911 119.914 -0.056 0.000 2.789 158 V HA 0.402 4.522 4.120 -0.000 0.000 0.311 158 V C -0.118 175.942 176.094 -0.058 0.000 1.073 158 V CA -0.826 61.440 62.300 -0.056 0.000 0.921 158 V CB 2.146 33.920 31.823 -0.081 0.000 1.009 158 V HN 0.451 nan 8.190 nan 0.000 0.426 159 L N 4.705 125.904 121.223 -0.040 0.000 2.333 159 L HA 0.773 5.113 4.340 -0.000 0.000 0.280 159 L C -1.159 175.687 176.870 -0.040 0.000 1.004 159 L CA -0.422 54.392 54.840 -0.043 0.000 0.820 159 L CB 1.737 43.778 42.059 -0.030 0.000 1.247 159 L HN 0.485 nan 8.230 nan 0.000 0.416 160 V N 3.595 123.476 119.914 -0.054 0.000 2.384 160 V HA 0.342 4.462 4.120 -0.000 0.000 0.287 160 V C -0.829 175.234 176.094 -0.051 0.000 1.020 160 V CA -0.529 61.745 62.300 -0.043 0.000 0.850 160 V CB 1.628 33.427 31.823 -0.040 0.000 0.987 160 V HN 0.706 nan 8.190 nan 0.000 0.436 161 D N 4.638 125.020 120.400 -0.031 0.000 2.349 161 D HA 0.528 5.168 4.640 -0.000 0.000 0.232 161 D C -0.764 175.529 176.300 -0.013 0.000 1.071 161 D CA -0.180 53.803 54.000 -0.028 0.000 0.832 161 D CB 1.182 41.970 40.800 -0.020 0.000 1.086 161 D HN 0.432 nan 8.370 nan 0.000 0.504 162 L N 5.889 127.104 121.223 -0.012 0.000 2.301 162 L HA 0.437 4.777 4.340 -0.000 0.000 0.278 162 L C -2.163 174.726 176.870 0.032 0.000 1.022 162 L CA -2.033 52.811 54.840 0.007 0.000 0.854 162 L CB 1.578 43.640 42.059 0.005 0.000 1.226 162 L HN 0.254 nan 8.230 nan 0.000 0.429 163 P HA -0.042 nan 4.420 nan 0.000 0.266 163 P C 0.592 177.962 177.300 0.116 0.000 1.195 163 P CA 0.013 63.162 63.100 0.082 0.000 0.768 163 P CB 0.549 32.289 31.700 0.068 0.000 0.838 164 F N 3.834 123.799 119.950 0.025 0.000 2.091 164 F HA -0.303 4.224 4.527 -0.000 0.000 0.299 164 F C 1.895 177.714 175.800 0.032 0.000 1.103 164 F CA 2.408 60.428 58.000 0.033 0.000 1.228 164 F CB -0.208 38.811 39.000 0.032 0.000 0.984 164 F HN 0.360 nan 8.300 nan 0.000 0.477 165 D N -0.421 120.134 120.400 0.258 0.000 2.219 165 D HA -0.135 4.505 4.640 -0.000 0.000 0.205 165 D C 2.126 178.451 176.300 0.042 0.000 0.970 165 D CA 1.357 55.450 54.000 0.156 0.000 0.851 165 D CB -1.119 39.774 40.800 0.155 0.000 0.943 165 D HN 0.314 nan 8.370 nan 0.000 0.488 166 V N 0.722 120.654 119.914 0.031 0.000 2.427 166 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 166 V C 2.727 178.801 176.094 -0.033 0.000 1.051 166 V CA 1.648 63.951 62.300 0.006 0.000 1.048 166 V CB -0.658 31.175 31.823 0.017 0.000 0.666 166 V HN 0.168 nan 8.190 nan 0.000 0.456 167 Q N 0.037 119.793 119.800 -0.073 0.000 2.050 167 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 167 Q C 2.251 178.168 176.000 -0.139 0.000 0.980 167 Q CA 2.250 57.986 55.803 -0.111 0.000 0.840 167 Q CB -0.342 28.293 28.738 -0.173 0.000 0.898 167 Q HN 0.725 nan 8.270 nan 0.000 0.424 168 V N -2.367 117.435 119.914 -0.187 0.000 3.406 168 V HA 0.292 4.412 4.120 -0.000 0.000 0.263 168 V C 0.812 176.870 176.094 -0.061 0.000 1.172 168 V CA 0.202 62.414 62.300 -0.148 0.000 1.140 168 V CB -0.771 30.942 31.823 -0.183 0.000 0.784 168 V HN 0.167 nan 8.190 nan 0.000 0.467 169 A N 0.961 123.758 122.820 -0.038 0.000 2.407 169 A HA 0.344 4.664 4.320 -0.000 0.000 0.248 169 A C 0.389 177.966 177.584 -0.010 0.000 1.082 169 A CA -0.274 51.758 52.037 -0.009 0.000 0.785 169 A CB -0.060 18.942 19.000 0.004 0.000 1.020 169 A HN 0.624 nan 8.150 nan 0.000 0.489 170 E N 0.537 120.738 120.200 0.003 0.000 2.338 170 E HA 0.427 4.777 4.350 -0.000 0.000 0.272 170 E C -0.257 176.353 176.600 0.016 0.000 1.029 170 E CA 0.102 56.507 56.400 0.009 0.000 0.872 170 E CB 0.938 30.647 29.700 0.015 0.000 1.015 170 E HN 0.620 nan 8.360 nan 0.000 0.417 171 I N -1.477 119.107 120.570 0.023 0.000 3.042 171 I HA 0.487 4.657 4.170 -0.000 0.000 0.310 171 I C -0.631 175.529 176.117 0.072 0.000 1.117 171 I CA -1.121 60.204 61.300 0.042 0.000 1.003 171 I CB 2.201 40.221 38.000 0.033 0.000 1.228 171 I HN 0.313 nan 8.210 nan 0.000 0.443 172 E N 2.446 122.699 120.200 0.089 0.000 2.174 172 E HA 0.498 4.848 4.350 -0.000 0.000 0.282 172 E C -2.026 174.691 176.600 0.194 0.000 0.992 172 E CA -0.530 55.931 56.400 0.102 0.000 0.803 172 E CB 1.322 31.057 29.700 0.059 0.000 1.090 172 E HN 0.535 nan 8.360 nan 0.000 0.396 173 F N 3.891 123.825 119.950 -0.027 0.000 2.605 173 F HA 0.227 4.754 4.527 -0.000 0.000 0.320 173 F C -1.543 174.209 175.800 -0.080 0.000 1.159 173 F CA -0.983 56.994 58.000 -0.039 0.000 0.999 173 F CB 1.701 40.678 39.000 -0.037 0.000 1.258 173 F HN 0.334 nan 8.300 nan 0.000 0.464 174 D N 8.095 128.128 120.400 -0.612 0.000 2.443 174 D HA 0.342 4.982 4.640 -0.000 0.000 0.221 174 D C -1.708 174.143 176.300 -0.748 0.000 1.097 174 D CA -2.080 51.617 54.000 -0.506 0.000 0.865 174 D CB 1.972 42.587 40.800 -0.308 0.000 1.034 174 D HN 0.291 nan 8.370 nan 0.000 0.511 175 P HA -0.059 nan 4.420 nan 0.000 0.221 175 P C 0.103 177.281 177.300 -0.203 0.000 1.150 175 P CA 0.388 63.228 63.100 -0.434 0.000 0.800 175 P CB 0.579 31.914 31.700 -0.608 0.000 0.787 179 E N 7.449 127.205 120.200 -0.740 0.000 2.185 179 E HA 0.365 4.715 4.350 -0.000 0.000 0.261 179 E C -2.745 173.441 176.600 -0.691 0.000 0.879 179 E CA -1.993 54.097 56.400 -0.517 0.000 0.756 179 E CB 2.035 31.573 29.700 -0.270 0.000 1.152 179 E HN 0.393 nan 8.360 nan 0.000 0.416 180 P HA 0.024 nan 4.420 nan 0.000 0.265 180 P C 0.019 177.257 177.300 -0.102 0.000 1.193 180 P CA 0.123 63.117 63.100 -0.177 0.000 0.765 180 P CB 0.534 32.226 31.700 -0.013 0.000 0.823 181 L N 4.999 126.208 121.223 -0.023 0.000 2.452 181 L HA 0.255 4.595 4.340 -0.000 0.000 0.267 181 L C -1.477 175.441 176.870 0.080 0.000 1.188 181 L CA -1.764 53.077 54.840 0.001 0.000 0.821 181 L CB -0.365 41.688 42.059 -0.011 0.000 1.102 181 L HN 0.319 nan 8.230 nan 0.000 0.470 182 P HA 0.095 nan 4.420 nan 0.000 0.271 182 P C -0.763 176.677 177.300 0.232 0.000 1.218 182 P CA -0.300 62.869 63.100 0.114 0.000 0.780 182 P CB 0.796 32.544 31.700 0.080 0.000 0.901 183 V N 3.872 123.895 119.914 0.181 0.000 2.461 183 V HA 0.035 4.155 4.120 -0.000 0.000 0.275 183 V C 0.109 176.309 176.094 0.176 0.000 1.047 183 V CA -0.367 62.037 62.300 0.174 0.000 0.955 183 V CB -0.150 31.725 31.823 0.087 0.000 0.988 183 V HN 0.467 nan 8.190 nan 0.000 0.471 184 Y N 6.319 126.666 120.300 0.080 0.000 2.336 184 Y HA 0.518 5.068 4.550 -0.000 0.000 0.335 184 Y C 0.098 176.004 175.900 0.010 0.000 1.046 184 Y CA -0.532 57.606 58.100 0.064 0.000 1.198 184 Y CB 0.525 39.050 38.460 0.108 0.000 1.182 184 Y HN 0.567 nan 8.280 nan 0.000 0.502 185 K N 8.371 128.337 120.400 -0.724 0.000 2.581 185 K HA 0.310 4.630 4.320 -0.000 0.000 0.249 185 K C -2.847 173.371 176.600 -0.636 0.000 0.966 185 K CA -1.903 53.977 56.287 -0.678 0.000 0.811 185 K CB 2.004 34.335 32.500 -0.283 0.000 1.223 185 K HN 0.494 nan 8.250 nan 0.000 0.438 186 P HA 0.243 nan 4.420 nan 0.000 0.274 186 P C -1.214 175.995 177.300 -0.153 0.000 1.231 186 P CA -0.487 62.460 63.100 -0.256 0.000 0.790 186 P CB 1.151 32.769 31.700 -0.136 0.000 0.951 187 A N 1.339 124.108 122.820 -0.085 0.000 2.414 187 A HA 0.679 4.999 4.320 -0.000 0.000 0.306 187 A C -0.178 177.382 177.584 -0.041 0.000 1.054 187 A CA -0.715 51.285 52.037 -0.063 0.000 0.724 187 A CB 1.423 20.393 19.000 -0.049 0.000 1.267 187 A HN 0.638 nan 8.150 nan 0.000 0.418 188 A N 1.339 124.135 122.820 -0.041 0.000 2.406 188 A HA 0.591 4.911 4.320 -0.000 0.000 0.243 188 A C 0.875 178.448 177.584 -0.018 0.000 1.082 188 A CA 0.457 52.476 52.037 -0.030 0.000 0.786 188 A CB -0.145 18.834 19.000 -0.033 0.000 1.029 188 A HN 2.022 nan 8.150 nan 0.000 0.495 189 S N 1.134 116.828 115.700 -0.010 0.000 2.654 189 S HA 0.543 5.013 4.470 -0.000 0.000 0.283 189 S C 0.365 174.965 174.600 0.001 0.000 1.180 189 S CA -0.669 57.530 58.200 -0.002 0.000 1.021 189 S CB 0.920 64.121 63.200 0.002 0.000 1.018 189 S HN 0.974 nan 8.310 nan 0.000 0.532 193 I N 2.067 122.656 120.570 0.031 0.000 2.315 193 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 193 I C 1.930 178.092 176.117 0.074 0.000 1.117 193 I CA 1.747 63.077 61.300 0.050 0.000 1.404 193 I CB -0.734 37.278 38.000 0.020 0.000 1.071 193 I HN 0.324 nan 8.210 nan 0.000 0.419 194 E N 0.698 120.931 120.200 0.056 0.000 2.085 194 E HA -0.289 4.061 4.350 -0.000 0.000 0.194 194 E C 2.119 178.762 176.600 0.072 0.000 0.994 194 E CA 1.443 57.879 56.400 0.060 0.000 0.801 194 E CB -0.050 29.675 29.700 0.042 0.000 0.743 194 E HN 0.248 nan 8.360 nan 0.000 0.453 195 K N 0.899 121.337 120.400 0.064 0.000 2.057 195 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 195 K C 1.867 178.528 176.600 0.103 0.000 1.049 195 K CA 1.340 57.666 56.287 0.066 0.000 0.931 195 K CB -0.237 32.291 32.500 0.045 0.000 0.714 195 K HN 0.107 nan 8.250 nan 0.000 0.440 196 A N -0.068 122.834 122.820 0.136 0.000 1.902 196 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 196 A C 2.274 180.062 177.584 0.339 0.000 1.181 196 A CA 1.798 53.986 52.037 0.252 0.000 0.623 196 A CB -0.677 18.502 19.000 0.297 0.000 0.818 196 A HN 0.135 nan 8.150 nan 0.000 0.443 197 V N 0.293 120.348 119.914 0.235 0.000 2.453 197 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 197 V C 1.360 177.528 176.094 0.125 0.000 1.048 197 V CA 1.191 63.599 62.300 0.180 0.000 1.049 197 V CB -0.800 31.113 31.823 0.150 0.000 0.672 197 V HN 0.570 nan 8.190 nan 0.000 0.457 201 I N -0.114 120.474 120.570 0.029 0.000 2.493 201 I HA -0.139 4.031 4.170 -0.000 0.000 0.254 201 I C 1.790 177.904 176.117 -0.006 0.000 1.160 201 I CA 1.815 63.116 61.300 0.002 0.000 1.445 201 I CB -0.584 37.420 38.000 0.007 0.000 1.086 201 I HN 0.595 nan 8.210 nan 0.000 0.433 202 Q N 2.037 121.839 119.800 0.004 0.000 2.403 202 Q HA 0.380 4.720 4.340 -0.000 0.000 0.203 202 Q C 0.869 176.852 176.000 -0.028 0.000 0.932 202 Q CA 0.184 55.981 55.803 -0.009 0.000 0.945 202 Q CB -0.078 28.660 28.738 0.000 0.000 1.045 202 Q HN 0.537 nan 8.270 nan 0.000 0.511 203 A N 1.404 124.205 122.820 -0.032 0.000 2.409 203 A HA 0.120 4.440 4.320 -0.000 0.000 0.262 203 A C 0.437 177.941 177.584 -0.133 0.000 1.113 203 A CA -0.427 51.566 52.037 -0.074 0.000 0.790 203 A CB 0.548 19.516 19.000 -0.053 0.000 1.046 203 A HN 0.359 nan 8.150 nan 0.000 0.496 204 E N 1.294 121.382 120.200 -0.186 0.000 2.112 204 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 204 E C 0.243 176.567 176.600 -0.460 0.000 0.979 204 E CA 0.803 57.061 56.400 -0.236 0.000 0.814 204 E CB 0.118 29.698 29.700 -0.200 0.000 0.762 204 E HN 0.660 nan 8.360 nan 0.000 0.460 205 R N 0.928 121.017 120.500 -0.684 0.000 2.674 205 R HA 0.210 4.550 4.340 -0.000 0.000 0.270 205 R C -2.634 173.092 176.300 -0.956 0.000 1.492 205 R CA -1.272 53.900 56.100 -1.546 0.000 1.624 205 R CB 1.352 30.582 30.300 -1.783 0.000 1.307 205 R HN 0.076 nan 8.270 nan 0.000 0.683 206 P HA 0.200 nan 4.420 nan 0.000 0.281 206 P C -0.633 176.813 177.300 0.244 0.000 1.249 206 P CA -0.367 62.715 63.100 -0.030 0.000 0.810 206 P CB 2.101 33.804 31.700 0.004 0.000 1.008 207 V N 3.700 123.760 119.914 0.243 0.000 2.789 207 V HA 0.435 4.555 4.120 -0.000 0.000 0.311 207 V C -0.502 175.743 176.094 0.251 0.000 1.073 207 V CA -1.168 61.294 62.300 0.271 0.000 0.921 207 V CB 1.869 33.864 31.823 0.286 0.000 1.009 207 V HN 0.338 nan 8.190 nan 0.000 0.426 208 I N 5.974 126.675 120.570 0.218 0.000 2.331 208 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 208 I C -0.426 175.816 176.117 0.209 0.000 0.998 208 I CA -0.552 60.902 61.300 0.256 0.000 1.267 208 I CB 1.759 39.886 38.000 0.211 0.000 1.386 208 I HN 0.288 nan 8.210 nan 0.000 0.476 209 V N 6.765 126.809 119.914 0.216 0.000 2.333 209 V HA 0.453 4.573 4.120 -0.000 0.000 0.274 209 V C 0.430 176.562 176.094 0.065 0.000 1.028 209 V CA -0.520 61.859 62.300 0.132 0.000 0.851 209 V CB 1.152 33.056 31.823 0.135 0.000 1.000 209 V HN 0.810 nan 8.190 nan 0.000 0.456 210 A N 4.465 127.313 122.820 0.047 0.000 2.252 210 A HA 0.802 5.122 4.320 -0.000 0.000 0.309 210 A C 0.567 178.137 177.584 -0.024 0.000 1.285 210 A CA 0.064 52.119 52.037 0.031 0.000 0.900 210 A CB 0.649 19.681 19.000 0.054 0.000 1.157 210 A HN 0.902 nan 8.150 nan 0.000 0.536 211 G N 0.733 109.502 108.800 -0.052 0.000 2.552 211 G HA2 0.451 4.411 3.960 -0.000 0.000 0.318 211 G HA3 0.451 4.411 3.960 -0.000 0.000 0.318 211 G C 0.968 175.847 174.900 -0.035 0.000 1.240 211 G CA -0.051 44.998 45.100 -0.086 0.000 1.002 211 G HN 1.047 nan 8.290 nan 0.000 0.493 212 G N -0.798 107.981 108.800 -0.035 0.000 2.535 212 G HA2 0.072 4.032 3.960 -0.000 0.000 0.218 212 G HA3 0.072 4.032 3.960 -0.000 0.000 0.218 212 G C 1.583 176.479 174.900 -0.007 0.000 1.122 212 G CA 1.361 46.459 45.100 -0.003 0.000 0.769 212 G HN 0.907 nan 8.290 nan 0.000 0.549 213 G N 0.519 109.306 108.800 -0.021 0.000 2.432 213 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.219 213 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.219 213 G C 1.717 176.611 174.900 -0.011 0.000 1.135 213 G CA 1.065 46.154 45.100 -0.019 0.000 0.767 213 G HN 0.312 nan 8.290 nan 0.000 0.550 214 V N 1.185 121.097 119.914 -0.003 0.000 2.295 214 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 214 V C 2.773 178.873 176.094 0.009 0.000 1.049 214 V CA 1.579 63.882 62.300 0.005 0.000 1.024 214 V CB -0.381 31.452 31.823 0.017 0.000 0.648 214 V HN 0.395 nan 8.190 nan 0.000 0.447 215 I N 0.250 120.830 120.570 0.017 0.000 2.226 215 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 215 I C 2.513 178.640 176.117 0.016 0.000 1.100 215 I CA 1.458 62.772 61.300 0.023 0.000 1.374 215 I CB -0.526 37.497 38.000 0.039 0.000 1.057 215 I HN 0.364 nan 8.210 nan 0.000 0.413 216 N N 1.362 120.068 118.700 0.010 0.000 2.104 216 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 216 N C 1.689 177.199 175.510 0.000 0.000 1.024 216 N CA 1.738 54.791 53.050 0.005 0.000 0.853 216 N CB -0.025 38.461 38.487 -0.002 0.000 1.008 216 N HN 0.346 nan 8.380 nan 0.000 0.424 217 A N -0.238 122.579 122.820 -0.005 0.000 2.208 217 A HA 0.023 4.343 4.320 -0.000 0.000 0.209 217 A C 0.320 177.902 177.584 -0.004 0.000 1.161 217 A CA 0.642 52.673 52.037 -0.011 0.000 0.782 217 A CB -0.102 18.886 19.000 -0.020 0.000 0.816 217 A HN 0.354 nan 8.150 nan 0.000 0.477 218 D N -2.786 117.616 120.400 0.003 0.000 2.716 218 D HA -0.163 4.477 4.640 -0.000 0.000 0.239 218 D C 0.283 176.586 176.300 0.006 0.000 1.125 218 D CA 0.986 54.990 54.000 0.007 0.000 0.681 218 D CB -1.352 39.453 40.800 0.007 0.000 1.070 218 D HN 0.579 nan 8.370 nan 0.000 0.432 219 A N -0.485 122.338 122.820 0.006 0.000 2.676 219 A HA 0.711 5.031 4.320 -0.000 0.000 0.297 219 A C 1.798 179.390 177.584 0.014 0.000 1.132 219 A CA 0.713 52.754 52.037 0.007 0.000 0.972 219 A CB 0.240 19.239 19.000 -0.001 0.000 1.197 219 A HN 0.464 nan 8.150 nan 0.000 0.524 220 A N 0.202 123.030 122.820 0.014 0.000 1.898 220 A HA 0.206 4.526 4.320 -0.000 0.000 0.216 220 A C 2.366 179.960 177.584 0.016 0.000 1.181 220 A CA 1.861 53.906 52.037 0.014 0.000 0.620 220 A CB -0.693 18.312 19.000 0.008 0.000 0.819 220 A HN 1.202 nan 8.150 nan 0.000 0.442 221 A N -0.233 122.597 122.820 0.017 0.000 1.902 221 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 221 A C 2.163 179.767 177.584 0.033 0.000 1.181 221 A CA 1.539 53.590 52.037 0.023 0.000 0.623 221 A CB -0.609 18.404 19.000 0.022 0.000 0.818 221 A HN 0.469 nan 8.150 nan 0.000 0.443 222 L N -1.220 120.023 121.223 0.033 0.000 2.093 222 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 222 L C 2.550 179.467 176.870 0.078 0.000 1.085 222 L CA 1.029 55.897 54.840 0.047 0.000 0.755 222 L CB -0.419 41.655 42.059 0.026 0.000 0.904 222 L HN 0.479 nan 8.230 nan 0.000 0.435 223 L N -0.240 121.021 121.223 0.064 0.000 1.994 223 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 223 L C 2.692 179.615 176.870 0.088 0.000 1.071 223 L CA 1.709 56.607 54.840 0.098 0.000 0.745 223 L CB -0.421 41.677 42.059 0.065 0.000 0.892 223 L HN 0.265 nan 8.230 nan 0.000 0.431 224 Q N -0.837 118.975 119.800 0.020 0.000 2.077 224 Q HA -0.334 4.006 4.340 -0.000 0.000 0.206 224 Q C 2.321 178.320 176.000 -0.001 0.000 0.989 224 Q CA 2.369 58.144 55.803 -0.048 0.000 0.853 224 Q CB -0.290 28.418 28.738 -0.049 0.000 0.907 224 Q HN 0.690 nan 8.270 nan 0.000 0.418 225 Q N -0.767 119.064 119.800 0.052 0.000 2.084 225 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 225 Q C 1.880 177.931 176.000 0.084 0.000 0.978 225 Q CA 1.592 57.435 55.803 0.067 0.000 0.844 225 Q CB -0.227 28.555 28.738 0.074 0.000 0.898 225 Q HN 0.499 nan 8.270 nan 0.000 0.426 226 F N 0.582 120.516 119.950 -0.027 0.000 2.146 226 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 226 F C 1.951 177.717 175.800 -0.057 0.000 1.096 226 F CA 1.366 59.341 58.000 -0.042 0.000 1.275 226 F CB -0.567 38.405 39.000 -0.047 0.000 1.008 226 F HN 0.130 nan 8.300 nan 0.000 0.480 227 A N 0.173 122.895 122.820 -0.162 0.000 1.877 227 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 227 A C 2.152 179.620 177.584 -0.194 0.000 1.186 227 A CA 1.859 53.751 52.037 -0.242 0.000 0.620 227 A CB -0.926 17.999 19.000 -0.125 0.000 0.822 227 A HN 0.541 nan 8.150 nan 0.000 0.443 228 E N -0.263 119.881 120.200 -0.095 0.000 2.051 228 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 228 E C 1.955 178.513 176.600 -0.070 0.000 0.991 228 E CA 1.251 57.637 56.400 -0.023 0.000 0.799 228 E CB -0.300 29.427 29.700 0.046 0.000 0.748 228 E HN 0.612 nan 8.360 nan 0.000 0.449 229 L N 0.552 121.712 121.223 -0.105 0.000 2.083 229 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 229 L C 2.592 179.362 176.870 -0.167 0.000 1.083 229 L CA 1.566 56.343 54.840 -0.106 0.000 0.752 229 L CB -0.424 41.594 42.059 -0.068 0.000 0.899 229 L HN 0.309 nan 8.230 nan 0.000 0.433 230 T N -5.474 108.893 114.554 -0.311 0.000 3.044 230 T HA 0.031 4.381 4.350 -0.000 0.000 0.250 230 T C 1.110 175.695 174.700 -0.192 0.000 1.081 230 T CA 0.487 62.397 62.100 -0.317 0.000 1.040 230 T CB 0.358 68.869 68.868 -0.596 0.000 0.962 230 T HN 0.212 nan 8.240 nan 0.000 0.506 231 S N 0.083 115.694 115.700 -0.148 0.000 3.682 231 S HA -0.138 4.332 4.470 -0.000 0.000 0.354 231 S C -0.084 174.496 174.600 -0.034 0.000 1.034 231 S CA 0.313 58.475 58.200 -0.064 0.000 1.084 231 S CB -2.160 61.024 63.200 -0.027 0.000 0.903 231 S HN 0.551 nan 8.310 nan 0.000 0.470 232 V N 2.796 122.660 119.914 -0.084 0.000 2.370 232 V HA 0.481 4.601 4.120 -0.000 0.000 0.283 232 V C -1.845 174.256 176.094 0.011 0.000 1.023 232 V CA -1.793 60.500 62.300 -0.011 0.000 0.857 232 V CB 1.553 33.319 31.823 -0.095 0.000 0.985 232 V HN 0.295 nan 8.190 nan 0.000 0.443 233 P HA 0.112 nan 4.420 nan 0.000 0.267 233 P C -0.684 176.647 177.300 0.051 0.000 1.200 233 P CA 0.091 63.202 63.100 0.019 0.000 0.772 233 P CB 0.547 32.223 31.700 -0.040 0.000 0.855 234 V N 4.627 124.556 119.914 0.025 0.000 2.459 234 V HA 0.322 4.442 4.120 -0.000 0.000 0.295 234 V C 0.173 176.303 176.094 0.060 0.000 1.029 234 V CA -0.463 61.864 62.300 0.045 0.000 0.874 234 V CB 1.482 33.308 31.823 0.004 0.000 0.985 234 V HN 0.369 nan 8.190 nan 0.000 0.438 235 I N 7.351 127.974 120.570 0.088 0.000 2.359 235 I HA 0.363 4.533 4.170 -0.000 0.000 0.284 235 I C -2.367 173.790 176.117 0.067 0.000 1.018 235 I CA -2.276 59.076 61.300 0.087 0.000 1.173 235 I CB 1.751 39.831 38.000 0.134 0.000 1.326 235 I HN 0.389 nan 8.210 nan 0.000 0.462 236 P HA 0.183 nan 4.420 nan 0.000 0.279 236 P C 0.031 177.305 177.300 -0.043 0.000 1.239 236 P CA -0.069 63.039 63.100 0.013 0.000 0.789 236 P CB 0.788 32.525 31.700 0.063 0.000 0.933 237 T N 2.466 116.974 114.554 -0.076 0.000 2.766 237 T HA 0.121 4.471 4.350 -0.000 0.000 0.295 237 T C 0.936 175.576 174.700 -0.100 0.000 1.024 237 T CA -0.250 61.766 62.100 -0.140 0.000 1.018 237 T CB 0.116 68.832 68.868 -0.255 0.000 1.002 237 T HN 0.267 nan 8.240 nan 0.000 0.532 241 W N 2.277 123.549 121.300 -0.048 0.000 2.443 241 W HA 0.411 5.071 4.660 -0.000 0.000 0.335 241 W C 1.200 177.705 176.519 -0.024 0.000 1.382 241 W CA 1.530 58.821 57.345 -0.090 0.000 1.305 241 W CB 0.038 29.348 29.460 -0.251 0.000 1.283 241 W HN 0.992 nan 8.180 nan 0.000 0.567 242 G N 2.690 111.554 108.800 0.107 0.000 2.253 242 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.209 242 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.209 242 G C 1.138 176.032 174.900 -0.010 0.000 0.997 242 G CA 0.241 45.300 45.100 -0.069 0.000 0.640 242 G HN 1.225 nan 8.290 nan 0.000 0.496 243 C N 0.017 119.340 119.300 0.039 0.000 2.456 243 C HA 0.697 5.157 4.460 -0.000 0.000 0.279 243 C C 1.204 176.198 174.990 0.006 0.000 1.427 243 C CA 0.216 59.248 59.018 0.023 0.000 1.778 243 C CB -0.795 26.967 27.740 0.036 0.000 1.842 243 C HN 0.625 nan 8.230 nan 0.000 0.531 244 I N 1.184 121.758 120.570 0.006 0.000 2.582 244 I HA 0.499 4.669 4.170 -0.000 0.000 0.292 244 I C -2.590 173.533 176.117 0.009 0.000 1.066 244 I CA -2.629 58.653 61.300 -0.030 0.000 1.053 244 I CB 2.285 40.219 38.000 -0.110 0.000 1.241 244 I HN -0.133 nan 8.210 nan 0.000 0.421 245 P HA 0.148 nan 4.420 nan 0.000 0.269 245 P C -0.448 176.890 177.300 0.063 0.000 1.209 245 P CA 0.018 63.169 63.100 0.086 0.000 0.776 245 P CB 0.612 32.438 31.700 0.211 0.000 0.876 246 D N 0.861 121.186 120.400 -0.125 0.000 2.218 246 D HA -0.156 4.484 4.640 -0.000 0.000 0.204 246 D C 1.113 177.384 176.300 -0.048 0.000 0.976 246 D CA 1.308 55.215 54.000 -0.155 0.000 0.853 246 D CB -0.274 40.263 40.800 -0.438 0.000 0.939 246 D HN 0.521 nan 8.370 nan 0.000 0.481 247 D N -1.078 119.405 120.400 0.138 0.000 2.340 247 D HA -0.127 4.513 4.640 -0.000 0.000 0.220 247 D C 0.661 177.012 176.300 0.085 0.000 1.039 247 D CA -0.097 53.980 54.000 0.127 0.000 0.866 247 D CB -0.646 40.288 40.800 0.224 0.000 0.913 247 D HN 0.229 nan 8.370 nan 0.000 0.523 248 H N 1.840 120.926 119.070 0.026 0.000 2.897 248 H HA -0.020 4.536 4.556 -0.000 0.000 0.347 248 H C 1.155 176.463 175.328 -0.034 0.000 1.068 248 H CA 0.835 56.885 56.048 0.004 0.000 1.426 248 H CB 1.225 30.992 29.762 0.010 0.000 1.410 248 H HN 0.247 nan 8.280 nan 0.000 0.597 249 E N 3.873 124.019 120.200 -0.090 0.000 2.268 249 E HA -0.042 4.308 4.350 -0.000 0.000 0.195 249 E C 0.434 177.078 176.600 0.073 0.000 0.995 249 E CA 0.571 56.951 56.400 -0.032 0.000 0.836 249 E CB 0.370 30.004 29.700 -0.109 0.000 0.763 249 E HN 0.358 nan 8.360 nan 0.000 0.491 256 G N 1.896 110.558 108.800 -0.229 0.000 2.352 256 G HA2 0.362 4.322 3.960 -0.000 0.000 0.283 256 G HA3 0.362 4.322 3.960 -0.000 0.000 0.283 256 G C -0.813 174.012 174.900 -0.126 0.000 1.308 256 G CA -0.152 44.842 45.100 -0.178 0.000 0.892 256 G HN 0.722 nan 8.290 nan 0.000 0.504 257 L N -0.201 120.967 121.223 -0.090 0.000 2.354 257 L HA 0.381 4.721 4.340 -0.000 0.000 0.212 257 L C 2.436 179.269 176.870 -0.062 0.000 1.091 257 L CA 1.732 56.535 54.840 -0.062 0.000 0.828 257 L CB 0.004 42.041 42.059 -0.035 0.000 0.973 257 L HN 0.672 nan 8.230 nan 0.000 0.461 258 Q N -1.823 117.927 119.800 -0.084 0.000 2.361 258 Q HA 0.122 4.462 4.340 -0.000 0.000 0.182 258 Q C 0.640 176.553 176.000 -0.146 0.000 0.650 258 Q CA 0.595 56.349 55.803 -0.082 0.000 0.842 258 Q CB 0.559 29.267 28.738 -0.050 0.000 1.211 258 Q HN 0.316 nan 8.270 nan 0.000 0.502 259 T N -0.134 114.313 114.554 -0.178 0.000 4.313 259 T HA 0.700 5.050 4.350 -0.000 0.000 0.272 259 T C -0.223 174.210 174.700 -0.446 0.000 1.298 259 T CA -0.028 61.897 62.100 -0.291 0.000 1.124 259 T CB 0.000 68.716 68.868 -0.253 0.000 1.352 259 T HN 0.308 nan 8.240 nan 0.000 1.013 260 A N 2.018 124.554 122.820 -0.472 0.000 2.593 260 A HA 0.731 5.051 4.320 -0.000 0.000 0.290 260 A C -0.965 176.223 177.584 -0.661 0.000 1.126 260 A CA -1.060 50.635 52.037 -0.572 0.000 0.695 260 A CB 1.152 19.950 19.000 -0.336 0.000 1.290 260 A HN 0.680 nan 8.150 nan 0.000 0.414 261 H N 0.081 118.890 119.070 -0.434 0.000 2.533 261 H HA 0.425 4.981 4.556 -0.000 0.000 0.343 261 H C 0.735 175.772 175.328 -0.485 0.000 1.160 261 H CA -0.529 55.152 56.048 -0.611 0.000 1.218 261 H CB 1.528 30.525 29.762 -1.275 0.000 1.566 261 H HN 0.751 nan 8.280 nan 0.000 0.522 262 R N 0.633 120.988 120.500 -0.243 0.000 2.081 262 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 262 R C 1.845 178.104 176.300 -0.069 0.000 1.131 262 R CA 1.850 57.885 56.100 -0.108 0.000 0.960 262 R CB -0.307 29.989 30.300 -0.008 0.000 0.856 262 R HN 0.622 nan 8.270 nan 0.000 0.436 263 Y N -1.058 119.255 120.300 0.022 0.000 2.242 263 Y HA 0.132 4.682 4.550 -0.000 0.000 0.291 263 Y C 2.315 178.205 175.900 -0.016 0.000 1.137 263 Y CA 0.647 58.738 58.100 -0.015 0.000 1.181 263 Y CB -1.252 37.177 38.460 -0.051 0.000 0.989 263 Y HN -0.072 nan 8.280 nan 0.000 0.527 264 G N 1.024 109.760 108.800 -0.107 0.000 2.459 264 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.217 264 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.217 264 G C 1.398 176.275 174.900 -0.038 0.000 1.183 264 G CA 1.313 46.393 45.100 -0.033 0.000 0.776 264 G HN 0.394 nan 8.290 nan 0.000 0.552 265 N N 1.143 119.793 118.700 -0.083 0.000 2.120 265 N HA -0.044 4.696 4.740 -0.000 0.000 0.188 265 N C 2.390 177.885 175.510 -0.024 0.000 1.024 265 N CA 1.364 54.376 53.050 -0.065 0.000 0.852 265 N CB -0.489 37.950 38.487 -0.079 0.000 1.003 265 N HN 0.333 nan 8.380 nan 0.000 0.424 266 A N -0.219 122.600 122.820 -0.001 0.000 1.930 266 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 266 A C 2.328 179.941 177.584 0.047 0.000 1.175 266 A CA 1.756 53.807 52.037 0.023 0.000 0.627 266 A CB -0.977 18.044 19.000 0.035 0.000 0.815 266 A HN 0.271 nan 8.150 nan 0.000 0.443 267 T N 0.095 114.677 114.554 0.046 0.000 2.746 267 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 267 T C 1.867 176.654 174.700 0.146 0.000 1.039 267 T CA 1.503 63.640 62.100 0.061 0.000 1.142 267 T CB -0.356 68.507 68.868 -0.009 0.000 0.866 267 T HN 0.378 nan 8.240 nan 0.000 0.444 268 L N 0.594 121.858 121.223 0.068 0.000 2.046 268 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 268 L C 2.152 179.013 176.870 -0.015 0.000 1.077 268 L CA 1.392 56.244 54.840 0.020 0.000 0.747 268 L CB -0.308 41.709 42.059 -0.071 0.000 0.896 268 L HN 0.238 nan 8.230 nan 0.000 0.432 269 L N -0.527 120.687 121.223 -0.014 0.000 2.265 269 L HA -0.144 4.196 4.340 -0.000 0.000 0.215 269 L C 2.530 179.416 176.870 0.026 0.000 1.117 269 L CA 0.865 55.694 54.840 -0.019 0.000 0.782 269 L CB -0.707 41.344 42.059 -0.014 0.000 0.914 269 L HN 0.359 nan 8.230 nan 0.000 0.441 270 A N -0.541 122.342 122.820 0.105 0.000 2.081 270 A HA 0.016 4.336 4.320 -0.000 0.000 0.214 270 A C 1.479 179.143 177.584 0.132 0.000 1.158 270 A CA 0.526 52.663 52.037 0.166 0.000 0.724 270 A CB -0.250 18.928 19.000 0.296 0.000 0.826 270 A HN 0.423 nan 8.150 nan 0.000 0.463 271 S N 0.989 116.778 115.700 0.149 0.000 2.593 271 S HA 0.361 4.831 4.470 -0.000 0.000 0.269 271 S C -0.209 174.308 174.600 -0.137 0.000 1.334 271 S CA -0.058 58.124 58.200 -0.030 0.000 1.015 271 S CB 0.683 63.959 63.200 0.126 0.000 0.912 271 S HN 0.507 nan 8.310 nan 0.000 0.541 275 F N 4.014 124.070 119.950 0.176 0.000 2.351 275 F HA 0.685 5.212 4.527 -0.000 0.000 0.362 275 F C 1.028 176.930 175.800 0.171 0.000 1.131 275 F CA -0.143 57.963 58.000 0.177 0.000 1.187 275 F CB 0.895 40.005 39.000 0.184 0.000 1.434 275 F HN 0.602 nan 8.300 nan 0.000 0.553 276 G N 7.093 115.963 108.800 0.118 0.000 2.351 276 G HA2 0.472 4.432 3.960 -0.000 0.000 0.287 276 G HA3 0.472 4.432 3.960 -0.000 0.000 0.287 276 G C -0.672 174.271 174.900 0.071 0.000 1.159 276 G CA -0.410 44.736 45.100 0.077 0.000 0.929 276 G HN 0.616 nan 8.290 nan 0.000 0.435 277 I N 2.230 122.851 120.570 0.086 0.000 2.411 277 I HA 0.401 4.571 4.170 -0.000 0.000 0.284 277 I C 1.027 177.156 176.117 0.020 0.000 1.012 277 I CA -0.424 60.922 61.300 0.077 0.000 1.119 277 I CB 1.817 39.899 38.000 0.137 0.000 1.261 277 I HN 0.764 nan 8.210 nan 0.000 0.448 278 G N 4.095 112.898 108.800 0.005 0.000 2.153 278 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 278 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 278 G C -0.083 174.784 174.900 -0.055 0.000 0.994 278 G CA 0.279 45.367 45.100 -0.020 0.000 0.698 278 G HN 0.773 nan 8.290 nan 0.000 0.521 279 N N -0.373 118.266 118.700 -0.102 0.000 2.443 279 N HA 0.659 5.399 4.740 -0.000 0.000 0.293 279 N C 0.414 175.780 175.510 -0.240 0.000 1.159 279 N CA -0.605 52.290 53.050 -0.259 0.000 0.904 279 N CB 1.187 39.381 38.487 -0.487 0.000 1.214 279 N HN 0.667 nan 8.380 nan 0.000 0.513 280 R N -0.730 119.596 120.500 -0.290 0.000 2.810 280 R HA 0.503 4.843 4.340 -0.000 0.000 0.245 280 R C -0.831 175.160 176.300 -0.516 0.000 1.168 280 R CA -0.706 55.243 56.100 -0.253 0.000 1.096 280 R CB 0.411 30.672 30.300 -0.064 0.000 1.259 280 R HN 0.397 nan 8.270 nan 0.000 0.518 281 F N 0.809 120.629 119.950 -0.217 0.000 2.366 281 F HA 0.382 4.909 4.527 -0.000 0.000 0.328 281 F C 0.392 176.077 175.800 -0.192 0.000 1.180 281 F CA -0.596 57.250 58.000 -0.257 0.000 1.232 281 F CB 1.088 39.914 39.000 -0.289 0.000 1.513 281 F HN 0.701 nan 8.300 nan 0.000 0.540 282 A N 1.491 124.265 122.820 -0.078 0.000 2.540 282 A HA -0.012 4.308 4.320 -0.000 0.000 0.239 282 A C 1.710 179.291 177.584 -0.006 0.000 1.061 282 A CA 0.130 52.144 52.037 -0.038 0.000 0.758 282 A CB 0.105 19.068 19.000 -0.063 0.000 0.991 282 A HN 0.743 nan 8.150 nan 0.000 0.502 283 N N 1.694 120.389 118.700 -0.009 0.000 2.073 283 N HA -0.262 4.478 4.740 -0.000 0.000 0.199 283 N C 1.378 176.881 175.510 -0.012 0.000 1.023 283 N CA 2.721 55.764 53.050 -0.011 0.000 0.880 283 N CB -0.170 38.315 38.487 -0.003 0.000 1.052 283 N HN 0.719 nan 8.380 nan 0.000 0.449 284 R N -2.043 118.454 120.500 -0.004 0.000 2.310 284 R HA 0.008 4.348 4.340 -0.000 0.000 0.202 284 R C 1.384 177.683 176.300 -0.001 0.000 0.933 284 R CA 0.455 56.549 56.100 -0.010 0.000 1.054 284 R CB -0.200 30.090 30.300 -0.016 0.000 0.985 284 R HN 0.530 nan 8.270 nan 0.000 0.489 285 H N 0.526 119.540 119.070 -0.093 0.000 2.384 285 H HA -0.012 4.544 4.556 -0.000 0.000 0.300 285 H C 2.064 177.340 175.328 -0.087 0.000 1.057 285 H CA 2.042 58.033 56.048 -0.096 0.000 1.370 285 H CB 0.396 30.081 29.762 -0.128 0.000 1.417 285 H HN 0.097 nan 8.280 nan 0.000 0.527 286 T N -3.177 111.283 114.554 -0.157 0.000 3.010 286 T HA 0.349 4.699 4.350 -0.000 0.000 0.252 286 T C 1.520 176.201 174.700 -0.031 0.000 1.047 286 T CA 0.576 62.507 62.100 -0.281 0.000 1.140 286 T CB -0.329 68.275 68.868 -0.441 0.000 0.885 286 T HN 0.642 nan 8.240 nan 0.000 0.464 287 G N 1.371 110.149 108.800 -0.036 0.000 2.528 287 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.262 287 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.262 287 G C -0.054 174.844 174.900 -0.003 0.000 1.200 287 G CA -0.165 44.930 45.100 -0.007 0.000 0.951 287 G HN 0.790 nan 8.290 nan 0.000 0.566 288 S N 0.163 115.870 115.700 0.011 0.000 2.515 288 S HA 0.268 4.738 4.470 -0.000 0.000 0.285 288 S C 1.695 176.312 174.600 0.028 0.000 1.265 288 S CA 0.109 58.316 58.200 0.011 0.000 1.079 288 S CB 1.451 64.657 63.200 0.011 0.000 0.877 288 S HN 1.057 nan 8.310 nan 0.000 0.493 289 V N 4.065 123.981 119.914 0.004 0.000 2.380 289 V HA -0.218 3.902 4.120 -0.000 0.000 0.251 289 V C 2.064 178.179 176.094 0.034 0.000 1.063 289 V CA 1.947 64.250 62.300 0.004 0.000 1.055 289 V CB -0.662 31.133 31.823 -0.046 0.000 0.657 289 V HN 0.746 nan 8.190 nan 0.000 0.455 290 E N -0.071 120.138 120.200 0.015 0.000 2.085 290 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 290 E C 2.256 178.868 176.600 0.020 0.000 0.994 290 E CA 1.305 57.711 56.400 0.009 0.000 0.801 290 E CB -0.217 29.483 29.700 0.000 0.000 0.743 290 E HN 0.556 nan 8.360 nan 0.000 0.453 291 K N -0.583 119.838 120.400 0.035 0.000 2.103 291 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 291 K C 2.076 178.705 176.600 0.049 0.000 1.052 291 K CA 0.908 57.214 56.287 0.031 0.000 0.945 291 K CB -0.190 32.328 32.500 0.028 0.000 0.722 291 K HN 0.170 nan 8.250 nan 0.000 0.443 292 Y N 2.170 122.445 120.300 -0.042 0.000 2.274 292 Y HA -0.211 4.339 4.550 -0.000 0.000 0.290 292 Y C 2.198 178.070 175.900 -0.046 0.000 1.145 292 Y CA 1.836 59.912 58.100 -0.040 0.000 1.203 292 Y CB 0.007 38.446 38.460 -0.035 0.000 0.984 292 Y HN 0.101 nan 8.280 nan 0.000 0.533 293 T N -2.708 111.874 114.554 0.046 0.000 3.044 293 T HA 0.057 4.407 4.350 -0.000 0.000 0.250 293 T C 0.596 175.265 174.700 -0.051 0.000 1.081 293 T CA -0.274 61.811 62.100 -0.025 0.000 1.040 293 T CB -0.279 68.578 68.868 -0.018 0.000 0.962 293 T HN 0.271 nan 8.240 nan 0.000 0.506 294 E N 1.686 121.860 120.200 -0.042 0.000 2.694 294 E HA 0.254 4.604 4.350 -0.000 0.000 0.250 294 E C 1.059 177.628 176.600 -0.051 0.000 0.963 294 E CA 0.676 57.053 56.400 -0.039 0.000 0.949 294 E CB -0.450 29.231 29.700 -0.031 0.000 0.911 294 E HN 0.621 nan 8.360 nan 0.000 0.500 295 G N 4.388 113.163 108.800 -0.043 0.000 2.273 295 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.280 295 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.280 295 G C 0.082 174.948 174.900 -0.056 0.000 1.047 295 G CA 0.783 45.856 45.100 -0.046 0.000 0.869 295 G HN 0.573 nan 8.290 nan 0.000 0.502 296 R N -0.659 119.808 120.500 -0.055 0.000 2.548 296 R HA 0.443 4.783 4.340 -0.000 0.000 0.280 296 R C -0.133 176.142 176.300 -0.041 0.000 1.061 296 R CA -0.876 55.188 56.100 -0.060 0.000 0.915 296 R CB 1.144 31.392 30.300 -0.088 0.000 1.210 296 R HN 0.180 nan 8.270 nan 0.000 0.442 297 K N 3.589 123.974 120.400 -0.024 0.000 2.144 297 K HA 0.438 4.758 4.320 -0.000 0.000 0.270 297 K C -0.313 176.296 176.600 0.014 0.000 1.005 297 K CA -0.588 55.696 56.287 -0.005 0.000 0.932 297 K CB 0.982 33.487 32.500 0.009 0.000 1.021 297 K HN 0.319 nan 8.250 nan 0.000 0.462 298 I N 2.799 123.373 120.570 0.007 0.000 2.447 298 I HA 0.258 4.428 4.170 -0.000 0.000 0.287 298 I C -0.387 175.740 176.117 0.017 0.000 1.023 298 I CA -0.831 60.483 61.300 0.023 0.000 1.083 298 I CB 1.498 39.468 38.000 -0.049 0.000 1.245 298 I HN 0.249 nan 8.210 nan 0.000 0.434 299 V N 5.946 125.855 119.914 -0.009 0.000 2.581 299 V HA 0.434 4.554 4.120 -0.000 0.000 0.303 299 V C -0.407 175.671 176.094 -0.028 0.000 1.041 299 V CA -0.557 61.654 62.300 -0.149 0.000 0.907 299 V CB 2.141 33.629 31.823 -0.560 0.000 0.994 299 V HN 0.717 nan 8.190 nan 0.000 0.442 300 H N 4.718 123.720 119.070 -0.114 0.000 3.013 300 H HA 0.574 5.130 4.556 -0.000 0.000 0.326 300 H C -1.415 173.865 175.328 -0.080 0.000 0.973 300 H CA -0.772 55.267 56.048 -0.015 0.000 1.369 300 H CB 1.370 31.225 29.762 0.156 0.000 1.598 300 H HN 0.563 nan 8.280 nan 0.000 0.518 301 I N 5.254 125.803 120.570 -0.036 0.000 2.355 301 I HA 0.226 4.396 4.170 -0.000 0.000 0.288 301 I C -0.531 175.478 176.117 -0.180 0.000 0.999 301 I CA -0.308 60.903 61.300 -0.148 0.000 1.163 301 I CB 1.489 39.435 38.000 -0.091 0.000 1.316 301 I HN 0.539 nan 8.210 nan 0.000 0.454 302 D N 4.947 125.182 120.400 -0.276 0.000 2.661 302 D HA 0.295 4.935 4.640 -0.000 0.000 0.228 302 D C 0.328 176.542 176.300 -0.144 0.000 1.183 302 D CA -0.541 53.331 54.000 -0.213 0.000 0.844 302 D CB 2.984 43.587 40.800 -0.329 0.000 1.555 302 D HN 0.494 nan 8.370 nan 0.000 0.453 303 I N 1.169 121.681 120.570 -0.097 0.000 2.676 303 I HA -0.089 4.081 4.170 -0.000 0.000 0.259 303 I C 0.284 176.365 176.117 -0.060 0.000 1.194 303 I CA 0.830 62.079 61.300 -0.085 0.000 1.473 303 I CB 0.364 38.316 38.000 -0.080 0.000 1.096 303 I HN 0.238 nan 8.210 nan 0.000 0.443 304 E N 0.631 120.800 120.200 -0.052 0.000 2.092 304 E HA 0.229 4.579 4.350 -0.000 0.000 0.271 304 E C -1.835 174.747 176.600 -0.031 0.000 0.919 304 E CA -2.420 53.968 56.400 -0.020 0.000 0.760 304 E CB 1.330 31.027 29.700 -0.005 0.000 1.106 304 E HN -0.015 nan 8.360 nan 0.000 0.408 305 P HA -0.200 nan 4.420 nan 0.000 0.216 305 P C 0.801 178.097 177.300 -0.006 0.000 1.157 305 P CA 1.835 64.927 63.100 -0.015 0.000 0.880 305 P CB 0.051 31.756 31.700 0.009 0.000 0.791 306 T N -4.030 110.530 114.554 0.010 0.000 3.160 306 T HA -0.003 4.347 4.350 -0.000 0.000 0.257 306 T C 1.473 176.195 174.700 0.036 0.000 1.147 306 T CA 0.452 62.565 62.100 0.022 0.000 1.064 306 T CB -0.527 68.355 68.868 0.023 0.000 0.949 306 T HN 0.059 nan 8.240 nan 0.000 0.526 307 Q N 0.452 120.272 119.800 0.034 0.000 2.408 307 Q HA 0.334 4.674 4.340 -0.000 0.000 0.205 307 Q C 0.590 176.687 176.000 0.162 0.000 0.919 307 Q CA 0.256 56.108 55.803 0.082 0.000 0.932 307 Q CB 0.298 29.076 28.738 0.066 0.000 1.058 307 Q HN 0.637 nan 8.270 nan 0.000 0.517 308 I N 0.588 121.199 120.570 0.069 0.000 2.301 308 I HA 0.253 4.423 4.170 -0.000 0.000 0.292 308 I C 0.827 177.016 176.117 0.120 0.000 1.046 308 I CA 0.010 61.375 61.300 0.108 0.000 1.282 308 I CB 0.853 38.811 38.000 -0.069 0.000 1.409 308 I HN 0.233 nan 8.210 nan 0.000 0.484 309 G N 5.033 113.932 108.800 0.165 0.000 2.176 309 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.232 309 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.232 309 G C 1.123 176.059 174.900 0.061 0.000 0.986 309 G CA 0.313 45.462 45.100 0.081 0.000 0.643 309 G HN 0.667 nan 8.290 nan 0.000 0.522 310 R N -0.297 120.254 120.500 0.085 0.000 2.090 310 R HA 0.274 4.614 4.340 -0.000 0.000 0.228 310 R C 2.229 178.554 176.300 0.042 0.000 1.110 310 R CA 2.132 58.269 56.100 0.061 0.000 0.973 310 R CB -0.077 30.268 30.300 0.075 0.000 0.869 310 R HN 0.410 nan 8.270 nan 0.000 0.440 311 V N 0.075 120.016 119.914 0.044 0.000 3.013 311 V HA 0.181 4.300 4.120 -0.000 0.000 0.238 311 V C -0.342 175.728 176.094 -0.040 0.000 1.161 311 V CA 0.373 62.679 62.300 0.009 0.000 1.170 311 V CB 0.683 32.523 31.823 0.029 0.000 0.917 311 V HN 0.240 nan 8.190 nan 0.000 0.478 312 L N -2.602 118.576 121.223 -0.075 0.000 2.415 312 L HA 0.638 4.978 4.340 -0.000 0.000 0.256 312 L C -0.798 176.021 176.870 -0.084 0.000 1.010 312 L CA -0.944 53.822 54.840 -0.123 0.000 0.826 312 L CB 0.754 42.659 42.059 -0.256 0.000 1.405 312 L HN -0.128 nan 8.230 nan 0.000 0.410 313 C N 3.410 122.669 119.300 -0.068 0.000 2.281 313 C HA 0.758 5.218 4.460 -0.000 0.000 0.336 313 C C -1.811 173.153 174.990 -0.043 0.000 1.217 313 C CA -0.888 58.111 59.018 -0.032 0.000 1.730 313 C CB -0.412 27.315 27.740 -0.021 0.000 2.338 313 C HN 0.773 nan 8.230 nan 0.000 0.521 314 P HA 0.238 nan 4.420 nan 0.000 0.277 314 P C 0.363 177.662 177.300 -0.002 0.000 1.240 314 P CA 0.062 63.160 63.100 -0.004 0.000 0.798 314 P CB 0.853 32.604 31.700 0.085 0.000 0.979 315 D N 0.159 120.554 120.400 -0.007 0.000 2.178 315 D HA -0.107 4.533 4.640 -0.000 0.000 0.202 315 D C 1.240 177.540 176.300 -0.000 0.000 0.974 315 D CA 1.264 55.262 54.000 -0.004 0.000 0.841 315 D CB 0.295 41.094 40.800 -0.002 0.000 0.953 315 D HN 0.179 nan 8.370 nan 0.000 0.478 316 L N -0.716 120.505 121.223 -0.003 0.000 3.087 316 L HA 0.345 4.685 4.340 -0.000 0.000 0.169 316 L C 0.037 176.900 176.870 -0.010 0.000 1.276 316 L CA 1.582 56.416 54.840 -0.011 0.000 0.865 316 L CB -0.416 41.626 42.059 -0.028 0.000 1.368 316 L HN 0.127 nan 8.230 nan 0.000 0.548 317 G N 1.530 110.321 108.800 -0.014 0.000 3.445 317 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.634 317 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.634 317 G C -0.767 174.096 174.900 -0.062 0.000 0.909 317 G CA 0.191 45.277 45.100 -0.024 0.000 0.740 317 G HN 0.409 nan 8.290 nan 0.000 0.441 318 I N 1.826 122.334 120.570 -0.103 0.000 2.533 318 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 318 I C 0.418 176.466 176.117 -0.115 0.000 1.056 318 I CA -1.321 59.925 61.300 -0.090 0.000 1.057 318 I CB 2.360 40.313 38.000 -0.077 0.000 1.240 318 I HN 0.292 nan 8.210 nan 0.000 0.423 319 V N 4.764 124.628 119.914 -0.084 0.000 2.389 319 V HA 0.480 4.600 4.120 -0.000 0.000 0.264 319 V C 0.112 176.161 176.094 -0.075 0.000 1.049 319 V CA 0.190 62.441 62.300 -0.083 0.000 0.932 319 V CB 0.754 32.549 31.823 -0.046 0.000 1.011 319 V HN 0.789 nan 8.190 nan 0.000 0.475 320 S N 3.045 118.690 115.700 -0.092 0.000 2.558 320 S HA 0.280 4.750 4.470 -0.000 0.000 0.277 320 S C -1.134 173.410 174.600 -0.094 0.000 1.143 320 S CA -0.871 57.276 58.200 -0.088 0.000 0.865 320 S CB 1.652 64.808 63.200 -0.073 0.000 1.102 320 S HN 0.927 nan 8.310 nan 0.000 0.454 321 D N 2.273 122.612 120.400 -0.102 0.000 2.443 321 D HA 0.473 5.113 4.640 -0.000 0.000 0.239 321 D C 1.228 177.488 176.300 -0.067 0.000 1.136 321 D CA 0.642 54.588 54.000 -0.090 0.000 0.879 321 D CB 1.074 41.814 40.800 -0.099 0.000 1.195 321 D HN 0.602 nan 8.370 nan 0.000 0.443 322 A N 3.800 126.588 122.820 -0.054 0.000 1.968 322 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 322 A C 1.968 179.529 177.584 -0.039 0.000 1.169 322 A CA 1.263 53.275 52.037 -0.041 0.000 0.638 322 A CB -0.417 18.567 19.000 -0.027 0.000 0.812 322 A HN 0.692 nan 8.150 nan 0.000 0.446 323 K N -0.213 120.166 120.400 -0.036 0.000 2.062 323 K HA 0.009 4.329 4.320 -0.000 0.000 0.205 323 K C 2.146 178.724 176.600 -0.036 0.000 1.051 323 K CA 1.084 57.353 56.287 -0.029 0.000 0.941 323 K CB -0.297 32.189 32.500 -0.022 0.000 0.719 323 K HN 0.332 nan 8.250 nan 0.000 0.440 324 A N 0.954 123.749 122.820 -0.043 0.000 1.902 324 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 324 A C 2.299 179.854 177.584 -0.048 0.000 1.181 324 A CA 1.847 53.858 52.037 -0.042 0.000 0.623 324 A CB -0.795 18.176 19.000 -0.049 0.000 0.818 324 A HN 0.463 nan 8.150 nan 0.000 0.443 325 A N -0.513 122.272 122.820 -0.057 0.000 1.898 325 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 325 A C 2.138 179.659 177.584 -0.103 0.000 1.181 325 A CA 1.403 53.398 52.037 -0.068 0.000 0.620 325 A CB -0.515 18.446 19.000 -0.064 0.000 0.819 325 A HN 0.451 nan 8.150 nan 0.000 0.442 326 L N -0.824 120.337 121.223 -0.103 0.000 2.156 326 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 326 L C 2.700 179.516 176.870 -0.089 0.000 1.095 326 L CA 1.412 56.167 54.840 -0.140 0.000 0.770 326 L CB -0.551 41.458 42.059 -0.083 0.000 0.914 326 L HN 0.332 nan 8.230 nan 0.000 0.439 327 T N 0.069 114.593 114.554 -0.050 0.000 2.684 327 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 327 T C 1.925 176.612 174.700 -0.023 0.000 1.036 327 T CA 1.036 63.122 62.100 -0.023 0.000 1.148 327 T CB -0.069 68.790 68.868 -0.016 0.000 0.863 327 T HN 0.069 nan 8.240 nan 0.000 0.436 328 L N 0.544 121.745 121.223 -0.037 0.000 2.017 328 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 328 L C 2.475 179.323 176.870 -0.036 0.000 1.073 328 L CA 1.538 56.361 54.840 -0.028 0.000 0.745 328 L CB -1.309 40.733 42.059 -0.028 0.000 0.894 328 L HN 0.328 nan 8.230 nan 0.000 0.432 329 L N -1.247 119.906 121.223 -0.117 0.000 2.042 329 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 329 L C 2.566 179.454 176.870 0.030 0.000 1.076 329 L CA 0.747 55.461 54.840 -0.210 0.000 0.749 329 L CB -0.533 41.053 42.059 -0.789 0.000 0.893 329 L HN 0.037 nan 8.230 nan 0.000 0.432 330 V N -0.282 119.667 119.914 0.057 0.000 2.343 330 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 330 V C 2.521 178.676 176.094 0.101 0.000 1.051 330 V CA 1.969 64.361 62.300 0.155 0.000 1.036 330 V CB -0.404 31.481 31.823 0.104 0.000 0.654 330 V HN 0.463 nan 8.190 nan 0.000 0.451 331 E N 0.454 120.688 120.200 0.057 0.000 2.058 331 E HA -0.187 4.162 4.350 -0.000 0.000 0.194 331 E C 2.006 178.637 176.600 0.051 0.000 0.997 331 E CA 1.922 58.348 56.400 0.044 0.000 0.801 331 E CB -0.415 29.300 29.700 0.026 0.000 0.746 331 E HN 0.342 nan 8.360 nan 0.000 0.450 332 V N 0.810 120.760 119.914 0.059 0.000 2.427 332 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 332 V C 2.385 178.529 176.094 0.083 0.000 1.051 332 V CA 1.609 63.947 62.300 0.064 0.000 1.048 332 V CB -0.930 30.931 31.823 0.064 0.000 0.666 332 V HN 0.463 nan 8.190 nan 0.000 0.456 333 A N -0.585 122.312 122.820 0.128 0.000 1.908 333 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 333 A C 2.176 179.794 177.584 0.058 0.000 1.181 333 A CA 2.115 54.219 52.037 0.112 0.000 0.627 333 A CB -0.528 18.571 19.000 0.166 0.000 0.818 333 A HN 0.608 nan 8.150 nan 0.000 0.445 334 Q N 0.033 119.868 119.800 0.059 0.000 2.124 334 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 334 Q C 0.645 176.662 176.000 0.029 0.000 0.977 334 Q CA 1.034 56.859 55.803 0.037 0.000 0.850 334 Q CB -0.089 28.672 28.738 0.038 0.000 0.901 334 Q HN 0.766 nan 8.270 nan 0.000 0.429 338 K N 0.821 121.227 120.400 0.009 0.000 2.097 338 K HA 0.126 4.446 4.320 -0.000 0.000 0.205 338 K C 0.947 177.552 176.600 0.007 0.000 1.050 338 K CA 0.923 57.215 56.287 0.008 0.000 0.938 338 K CB 0.131 32.638 32.500 0.011 0.000 0.718 338 K HN 0.218 nan 8.250 nan 0.000 0.442 339 A N 0.411 123.236 122.820 0.009 0.000 2.251 339 A HA 0.382 4.702 4.320 -0.000 0.000 0.278 339 A C 0.859 178.446 177.584 0.005 0.000 1.206 339 A CA 0.144 52.186 52.037 0.007 0.000 0.822 339 A CB 0.163 19.169 19.000 0.009 0.000 1.187 339 A HN 0.312 nan 8.150 nan 0.000 0.504 340 G N -1.068 107.735 108.800 0.004 0.000 3.782 340 G HA2 0.367 4.327 3.960 -0.000 0.000 0.288 340 G HA3 0.367 4.327 3.960 -0.000 0.000 0.288 340 G C 0.654 175.555 174.900 0.001 0.000 1.300 340 G CA -0.292 44.809 45.100 0.002 0.000 1.261 340 G HN 0.631 nan 8.290 nan 0.000 0.591 341 R N -0.636 119.865 120.500 0.002 0.000 2.335 341 R HA 0.251 4.591 4.340 -0.000 0.000 0.210 341 R C 0.266 176.565 176.300 -0.001 0.000 0.892 341 R CA -0.202 55.900 56.100 0.003 0.000 1.048 341 R CB 0.433 30.738 30.300 0.009 0.000 1.067 341 R HN 0.273 nan 8.270 nan 0.000 0.524 342 L N 4.172 125.391 121.223 -0.006 0.000 2.281 342 L HA 0.278 4.618 4.340 -0.000 0.000 0.285 342 L C -1.837 175.023 176.870 -0.017 0.000 1.074 342 L CA -1.869 52.960 54.840 -0.017 0.000 0.817 342 L CB 0.538 42.580 42.059 -0.027 0.000 1.168 342 L HN -0.136 nan 8.230 nan 0.000 0.434 343 P HA 0.042 nan 4.420 nan 0.000 0.274 343 P C -0.536 176.757 177.300 -0.011 0.000 1.231 343 P CA -0.621 62.471 63.100 -0.013 0.000 0.790 343 P CB 1.014 32.704 31.700 -0.016 0.000 0.951 344 C N 3.134 122.432 119.300 -0.002 0.000 2.585 344 C HA 0.266 4.726 4.460 -0.000 0.000 0.406 344 C C 1.206 176.209 174.990 0.022 0.000 1.312 344 C CA -0.405 58.617 59.018 0.006 0.000 1.924 344 C CB -1.079 26.665 27.740 0.006 0.000 2.578 344 C HN 0.537 nan 8.230 nan 0.000 0.580 345 R N 3.399 123.921 120.500 0.038 0.000 2.700 345 R HA 0.090 4.430 4.340 -0.000 0.000 0.399 345 R C 1.304 177.663 176.300 0.099 0.000 1.115 345 R CA -0.359 55.795 56.100 0.089 0.000 1.058 345 R CB 0.156 30.527 30.300 0.118 0.000 1.389 345 R HN 0.646 nan 8.270 nan 0.000 0.582 346 K N 2.045 122.479 120.400 0.057 0.000 2.032 346 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 346 K C 1.812 178.439 176.600 0.046 0.000 1.048 346 K CA 1.697 58.005 56.287 0.036 0.000 0.927 346 K CB 0.171 32.683 32.500 0.019 0.000 0.712 346 K HN 0.196 nan 8.250 nan 0.000 0.441 347 E N -0.807 119.438 120.200 0.075 0.000 2.047 347 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 347 E C 1.837 178.519 176.600 0.136 0.000 0.987 347 E CA 1.135 57.587 56.400 0.087 0.000 0.799 347 E CB -0.326 29.428 29.700 0.092 0.000 0.752 347 E HN 0.561 nan 8.360 nan 0.000 0.449 348 W N 1.560 122.851 121.300 -0.015 0.000 2.358 348 W HA -0.203 4.457 4.660 -0.000 0.000 0.303 348 W C 1.885 178.395 176.519 -0.015 0.000 1.208 348 W CA 1.835 59.172 57.345 -0.014 0.000 1.274 348 W CB -0.065 29.386 29.460 -0.015 0.000 1.138 348 W HN 0.137 nan 8.180 nan 0.000 0.515 349 V N 0.410 120.252 119.914 -0.120 0.000 2.407 349 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 349 V C 2.383 178.349 176.094 -0.214 0.000 1.055 349 V CA 2.167 64.328 62.300 -0.233 0.000 1.049 349 V CB -1.884 29.886 31.823 -0.088 0.000 0.662 349 V HN 0.160 nan 8.190 nan 0.000 0.455 350 A N 2.297 125.044 122.820 -0.122 0.000 1.858 350 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 350 A C 1.923 179.428 177.584 -0.132 0.000 1.190 350 A CA 2.183 54.160 52.037 -0.099 0.000 0.617 350 A CB -1.114 17.860 19.000 -0.044 0.000 0.827 350 A HN 0.806 nan 8.150 nan 0.000 0.443 351 D N -1.225 119.094 120.400 -0.135 0.000 2.312 351 D HA -0.079 4.561 4.640 -0.000 0.000 0.211 351 D C 1.556 177.716 176.300 -0.233 0.000 0.964 351 D CA 0.985 54.905 54.000 -0.132 0.000 0.877 351 D CB -0.859 39.914 40.800 -0.046 0.000 0.924 351 D HN 0.316 nan 8.370 nan 0.000 0.515 352 C N 0.345 119.402 119.300 -0.404 0.000 2.432 352 C HA -0.099 4.361 4.460 -0.000 0.000 0.277 352 C C 2.617 177.443 174.990 -0.274 0.000 1.249 352 C CA 0.870 59.636 59.018 -0.421 0.000 1.725 352 C CB -0.940 26.453 27.740 -0.578 0.000 2.028 352 C HN 0.416 nan 8.230 nan 0.000 0.477 353 Q N -0.167 119.484 119.800 -0.247 0.000 2.167 353 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 353 Q C 2.174 178.056 176.000 -0.196 0.000 0.970 353 Q CA 1.400 57.069 55.803 -0.223 0.000 0.855 353 Q CB -0.234 28.397 28.738 -0.179 0.000 0.911 353 Q HN 0.625 nan 8.270 nan 0.000 0.438 354 Q N 1.172 120.884 119.800 -0.147 0.000 2.084 354 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 354 Q C 1.750 177.696 176.000 -0.090 0.000 0.978 354 Q CA 1.593 57.338 55.803 -0.097 0.000 0.844 354 Q CB 0.082 28.780 28.738 -0.066 0.000 0.898 354 Q HN 0.214 nan 8.270 nan 0.000 0.426 355 R N -0.150 120.291 120.500 -0.097 0.000 2.081 355 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 355 R C 2.292 178.533 176.300 -0.099 0.000 1.131 355 R CA 1.569 57.641 56.100 -0.046 0.000 0.960 355 R CB -0.269 30.025 30.300 -0.010 0.000 0.856 355 R HN 0.180 nan 8.270 nan 0.000 0.436 356 K N 1.320 121.534 120.400 -0.310 0.000 2.280 356 K HA -0.145 4.175 4.320 -0.000 0.000 0.202 356 K C 1.595 177.846 176.600 -0.581 0.000 1.047 356 K CA 1.228 57.034 56.287 -0.802 0.000 0.942 356 K CB 0.154 32.160 32.500 -0.825 0.000 0.739 356 K HN 0.177 nan 8.250 nan 0.000 0.457 357 R N -0.916 119.411 120.500 -0.287 0.000 2.432 357 R HA 0.093 4.433 4.340 -0.000 0.000 0.260 357 R C 0.805 177.149 176.300 0.074 0.000 0.935 357 R CA 0.625 56.640 56.100 -0.141 0.000 1.080 357 R CB 0.405 30.642 30.300 -0.104 0.000 1.155 357 R HN 0.068 nan 8.270 nan 0.000 0.531 358 T N -2.664 111.914 114.554 0.041 0.000 2.980 358 T HA 0.274 4.624 4.350 -0.000 0.000 0.252 358 T C 0.721 175.482 174.700 0.102 0.000 0.962 358 T CA -0.377 61.773 62.100 0.083 0.000 0.932 358 T CB 0.150 69.048 68.868 0.051 0.000 1.188 358 T HN 0.083 nan 8.240 nan 0.000 0.500 359 L N 2.997 124.296 121.223 0.127 0.000 2.512 359 L HA 0.530 4.870 4.340 -0.000 0.000 0.247 359 L C -0.560 176.445 176.870 0.225 0.000 1.204 359 L CA -0.422 54.514 54.840 0.160 0.000 1.153 359 L CB -0.139 42.020 42.059 0.167 0.000 1.415 359 L HN 0.188 nan 8.230 nan 0.000 0.406 360 L N 0.731 122.065 121.223 0.185 0.000 2.298 360 L HA 0.656 4.996 4.340 -0.000 0.000 0.268 360 L C 0.078 177.045 176.870 0.163 0.000 1.010 360 L CA -0.988 53.976 54.840 0.207 0.000 0.812 360 L CB 1.607 43.800 42.059 0.224 0.000 1.331 360 L HN 0.345 nan 8.230 nan 0.000 0.450 361 R N 0.507 121.113 120.500 0.177 0.000 2.599 361 R HA 0.358 4.698 4.340 -0.000 0.000 0.295 361 R C -0.921 175.491 176.300 0.186 0.000 0.963 361 R CA -0.977 55.225 56.100 0.171 0.000 0.883 361 R CB 2.396 32.798 30.300 0.171 0.000 1.171 361 R HN 0.412 nan 8.270 nan 0.000 0.450 362 K N 1.098 121.602 120.400 0.174 0.000 2.412 362 K HA 0.007 4.327 4.320 -0.000 0.000 0.281 362 K C 0.529 177.261 176.600 0.220 0.000 1.027 362 K CA 0.456 56.803 56.287 0.100 0.000 0.989 362 K CB 0.679 33.141 32.500 -0.063 0.000 0.935 362 K HN 0.766 nan 8.250 nan 0.000 0.475 363 T N -0.161 114.486 114.554 0.154 0.000 2.954 363 T HA 0.004 4.353 4.350 -0.000 0.000 0.252 363 T C 0.450 175.277 174.700 0.212 0.000 0.983 363 T CA -0.053 62.217 62.100 0.284 0.000 0.941 363 T CB -0.219 68.824 68.868 0.292 0.000 1.141 363 T HN 0.678 nan 8.240 nan 0.000 0.500 364 H N 1.018 120.035 119.070 -0.088 0.000 2.923 364 H HA 0.506 5.062 4.556 -0.000 0.000 0.251 364 H C -1.323 173.878 175.328 -0.211 0.000 1.741 364 H CA -1.215 54.785 56.048 -0.080 0.000 1.387 364 H CB -1.112 28.609 29.762 -0.068 0.000 1.740 364 H HN 0.245 nan 8.280 nan 0.000 0.544 365 F N 1.603 121.481 119.950 -0.120 0.000 2.420 365 F HA 0.172 4.699 4.527 -0.000 0.000 0.342 365 F C 1.009 176.707 175.800 -0.170 0.000 1.113 365 F CA -0.664 57.281 58.000 -0.092 0.000 1.059 365 F CB 1.456 40.441 39.000 -0.024 0.000 1.128 365 F HN 0.408 nan 8.300 nan 0.000 0.475 366 D N 1.402 121.829 120.400 0.045 0.000 2.340 366 D HA 0.027 4.667 4.640 -0.000 0.000 0.217 366 D C -0.073 176.254 176.300 0.045 0.000 1.081 366 D CA 0.193 54.191 54.000 -0.003 0.000 0.842 366 D CB -0.136 40.657 40.800 -0.010 0.000 0.934 366 D HN 0.425 nan 8.370 nan 0.000 0.511 367 N N 0.032 118.789 118.700 0.094 0.000 2.395 367 N HA 0.051 4.791 4.740 -0.000 0.000 0.246 367 N C -0.348 175.182 175.510 0.033 0.000 1.246 367 N CA 0.314 53.402 53.050 0.064 0.000 0.879 367 N CB 1.047 39.565 38.487 0.052 0.000 1.098 367 N HN -0.221 nan 8.380 nan 0.000 0.444 368 V N 2.550 122.483 119.914 0.032 0.000 2.525 368 V HA 0.379 4.499 4.120 -0.000 0.000 0.299 368 V C -1.838 174.280 176.094 0.039 0.000 1.034 368 V CA -1.295 61.025 62.300 0.034 0.000 0.863 368 V CB 1.513 33.355 31.823 0.032 0.000 0.999 368 V HN 0.717 nan 8.190 nan 0.000 0.423 369 P HA 0.295 nan 4.420 nan 0.000 0.272 369 P C -0.391 176.920 177.300 0.019 0.000 1.230 369 P CA -0.200 62.933 63.100 0.054 0.000 0.788 369 P CB 0.784 32.541 31.700 0.094 0.000 0.949 370 V N 2.091 122.004 119.914 -0.001 0.000 2.655 370 V HA 0.030 4.150 4.120 -0.000 0.000 0.300 370 V C 1.082 177.142 176.094 -0.057 0.000 1.044 370 V CA 0.028 62.310 62.300 -0.030 0.000 1.095 370 V CB -0.137 31.654 31.823 -0.054 0.000 0.952 370 V HN 0.472 nan 8.190 nan 0.000 0.485 371 K N 7.042 127.387 120.400 -0.092 0.000 2.249 371 K HA 0.259 4.578 4.320 -0.000 0.000 0.280 371 K C -1.467 175.064 176.600 -0.115 0.000 1.033 371 K CA -1.507 54.676 56.287 -0.174 0.000 0.946 371 K CB 1.257 33.487 32.500 -0.450 0.000 1.005 371 K HN 0.411 nan 8.250 nan 0.000 0.469 372 P HA -0.230 nan 4.420 nan 0.000 0.218 372 P C 0.839 178.025 177.300 -0.190 0.000 1.149 372 P CA 1.292 64.310 63.100 -0.137 0.000 0.817 372 P CB 0.236 31.928 31.700 -0.013 0.000 0.785 373 Q N 0.186 120.024 119.800 0.064 0.000 2.291 373 Q HA -0.146 4.194 4.340 -0.000 0.000 0.205 373 Q C 2.054 178.192 176.000 0.231 0.000 0.970 373 Q CA 1.182 57.155 55.803 0.283 0.000 0.876 373 Q CB -0.869 28.087 28.738 0.365 0.000 0.935 373 Q HN 0.129 nan 8.270 nan 0.000 0.455 374 R N 1.456 122.046 120.500 0.150 0.000 2.148 374 R HA -0.005 4.335 4.340 -0.000 0.000 0.223 374 R C 2.053 178.376 176.300 0.038 0.000 1.088 374 R CA 0.963 57.138 56.100 0.126 0.000 0.985 374 R CB -0.646 29.713 30.300 0.098 0.000 0.880 374 R HN 0.146 nan 8.270 nan 0.000 0.451 375 V N 0.167 120.006 119.914 -0.125 0.000 2.343 375 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 375 V C 1.722 177.801 176.094 -0.025 0.000 1.051 375 V CA 1.926 64.134 62.300 -0.153 0.000 1.036 375 V CB -0.662 30.947 31.823 -0.357 0.000 0.654 375 V HN 0.333 nan 8.190 nan 0.000 0.451 376 Y N 0.404 120.815 120.300 0.185 0.000 2.293 376 Y HA -0.176 4.374 4.550 -0.000 0.000 0.291 376 Y C 2.627 178.653 175.900 0.210 0.000 1.137 376 Y CA 1.367 59.572 58.100 0.174 0.000 1.202 376 Y CB -0.246 38.290 38.460 0.126 0.000 0.990 376 Y HN 0.300 nan 8.280 nan 0.000 0.537 377 E N 0.892 121.291 120.200 0.333 0.000 2.058 377 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 377 E C 0.695 177.457 176.600 0.270 0.000 0.997 377 E CA 0.806 57.385 56.400 0.299 0.000 0.801 377 E CB 0.079 29.945 29.700 0.277 0.000 0.746 377 E HN 0.323 nan 8.360 nan 0.000 0.450 381 K N 1.476 121.965 120.400 0.147 0.000 2.057 381 K HA 0.184 4.504 4.320 -0.000 0.000 0.206 381 K C 1.885 178.468 176.600 -0.028 0.000 1.050 381 K CA 1.547 57.852 56.287 0.030 0.000 0.935 381 K CB 0.026 32.559 32.500 0.055 0.000 0.715 381 K HN 0.195 nan 8.250 nan 0.000 0.439 382 A N 0.598 123.348 122.820 -0.116 0.000 1.970 382 A HA 0.072 4.392 4.320 -0.000 0.000 0.216 382 A C 0.594 177.912 177.584 -0.443 0.000 1.170 382 A CA 0.648 52.474 52.037 -0.352 0.000 0.645 382 A CB -0.072 18.564 19.000 -0.606 0.000 0.816 382 A HN 0.106 nan 8.150 nan 0.000 0.447 383 F N -0.990 118.986 119.950 0.044 0.000 2.470 383 F HA 0.573 5.100 4.527 -0.000 0.000 0.329 383 F C 1.229 177.074 175.800 0.074 0.000 1.072 383 F CA -0.699 57.322 58.000 0.035 0.000 0.989 383 F CB 1.233 40.245 39.000 0.021 0.000 1.193 383 F HN 0.145 nan 8.300 nan 0.000 0.481 384 G N 0.682 109.630 108.800 0.247 0.000 2.621 384 G HA2 0.141 4.101 3.960 -0.000 0.000 0.271 384 G HA3 0.141 4.101 3.960 -0.000 0.000 0.271 384 G C 0.745 175.737 174.900 0.154 0.000 1.236 384 G CA -0.568 44.614 45.100 0.137 0.000 0.958 384 G HN 0.799 nan 8.290 nan 0.000 0.512 385 R N -0.498 120.030 120.500 0.048 0.000 2.148 385 R HA -0.089 4.251 4.340 -0.000 0.000 0.227 385 R C 1.462 177.828 176.300 0.110 0.000 1.103 385 R CA 1.730 57.809 56.100 -0.036 0.000 0.983 385 R CB -0.135 29.995 30.300 -0.283 0.000 0.874 385 R HN 0.662 nan 8.270 nan 0.000 0.451 386 D N 0.468 120.926 120.400 0.098 0.000 2.336 386 D HA -0.059 4.580 4.640 -0.000 0.000 0.229 386 D C 0.564 176.953 176.300 0.148 0.000 1.061 386 D CA -0.121 53.983 54.000 0.173 0.000 0.875 386 D CB -0.194 40.678 40.800 0.119 0.000 0.904 386 D HN 0.025 nan 8.370 nan 0.000 0.525 387 V N 0.519 120.457 119.914 0.039 0.000 2.901 387 V HA -0.023 4.097 4.120 -0.000 0.000 0.307 387 V C -0.165 175.698 176.094 -0.385 0.000 1.084 387 V CA -0.263 61.895 62.300 -0.236 0.000 1.184 387 V CB 1.065 32.683 31.823 -0.341 0.000 0.941 387 V HN 0.538 nan 8.190 nan 0.000 0.493 388 C N 7.725 126.674 119.300 -0.584 0.000 2.356 388 C HA 0.563 5.022 4.460 -0.000 0.000 0.324 388 C C -0.524 174.187 174.990 -0.465 0.000 1.167 388 C CA -1.013 57.666 59.018 -0.566 0.000 1.420 388 C CB -0.664 26.703 27.740 -0.621 0.000 2.036 388 C HN 0.853 nan 8.230 nan 0.000 0.435 389 Y N 4.112 124.309 120.300 -0.172 0.000 2.304 389 Y HA 0.557 5.107 4.550 -0.000 0.000 0.328 389 Y C 0.492 176.148 175.900 -0.407 0.000 1.123 389 Y CA -0.630 57.328 58.100 -0.236 0.000 1.218 389 Y CB 1.228 39.632 38.460 -0.094 0.000 1.207 389 Y HN 0.389 nan 8.280 nan 0.000 0.495 390 V N 2.903 122.692 119.914 -0.208 0.000 2.487 390 V HA 0.588 4.708 4.120 -0.000 0.000 0.298 390 V C -0.173 175.768 176.094 -0.254 0.000 1.028 390 V CA -0.467 61.669 62.300 -0.275 0.000 0.860 390 V CB 1.705 33.375 31.823 -0.254 0.000 0.991 390 V HN 0.915 nan 8.190 nan 0.000 0.427 391 T N 2.406 116.803 114.554 -0.260 0.000 2.711 391 T HA 0.564 4.914 4.350 -0.000 0.000 0.302 391 T C 0.112 174.772 174.700 -0.067 0.000 1.373 391 T CA 0.546 62.557 62.100 -0.149 0.000 1.000 391 T CB 2.247 70.981 68.868 -0.224 0.000 1.483 391 T HN 0.659 nan 8.240 nan 0.000 0.499 392 T N 0.707 115.238 114.554 -0.038 0.000 3.364 392 T HA 0.589 4.939 4.350 -0.000 0.000 0.179 392 T C -0.468 174.165 174.700 -0.111 0.000 0.939 392 T CA -0.142 61.891 62.100 -0.111 0.000 1.094 392 T CB 0.060 68.909 68.868 -0.031 0.000 1.532 392 T HN 0.638 nan 8.240 nan 0.000 0.346 393 I N -0.148 120.389 120.570 -0.055 0.000 2.908 393 I HA 0.563 4.733 4.170 -0.000 0.000 0.300 393 I C -1.366 174.760 176.117 0.014 0.000 1.385 393 I CA 0.104 61.383 61.300 -0.036 0.000 1.004 393 I CB 1.940 39.895 38.000 -0.076 0.000 1.309 393 I HN 0.768 nan 8.210 nan 0.000 0.449 394 G N 4.323 113.140 108.800 0.028 0.000 2.353 394 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.424 394 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.424 394 G C -0.158 174.774 174.900 0.054 0.000 1.320 394 G CA -0.411 44.721 45.100 0.053 0.000 0.995 394 G HN 0.673 nan 8.290 nan 0.000 0.580 395 L N 0.951 122.208 121.223 0.058 0.000 2.131 395 L HA -0.089 4.250 4.340 -0.000 0.000 0.210 395 L C 3.298 180.236 176.870 0.113 0.000 1.092 395 L CA 2.226 57.102 54.840 0.060 0.000 0.759 395 L CB -0.694 41.389 42.059 0.040 0.000 0.903 395 L HN 0.821 nan 8.230 nan 0.000 0.435 396 S N -0.196 115.590 115.700 0.143 0.000 2.368 396 S HA -0.341 4.129 4.470 -0.000 0.000 0.226 396 S C 1.941 176.646 174.600 0.175 0.000 1.044 396 S CA 1.688 60.018 58.200 0.217 0.000 1.062 396 S CB -0.545 62.766 63.200 0.185 0.000 0.931 396 S HN 0.523 nan 8.310 nan 0.000 0.440 397 Q N 1.102 120.968 119.800 0.110 0.000 2.212 397 Q HA 0.096 4.436 4.340 -0.000 0.000 0.199 397 Q C 2.197 178.240 176.000 0.070 0.000 0.950 397 Q CA 0.884 56.750 55.803 0.104 0.000 0.863 397 Q CB -0.242 28.549 28.738 0.090 0.000 0.944 397 Q HN 0.721 nan 8.270 nan 0.000 0.465 398 I N 1.110 121.694 120.570 0.023 0.000 2.142 398 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 398 I C 2.490 178.546 176.117 -0.101 0.000 1.078 398 I CA 1.243 62.525 61.300 -0.030 0.000 1.343 398 I CB -0.459 37.529 38.000 -0.019 0.000 1.046 398 I HN 0.170 nan 8.210 nan 0.000 0.405 399 A N 0.619 123.381 122.820 -0.097 0.000 1.930 399 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 399 A C 2.516 179.733 177.584 -0.611 0.000 1.175 399 A CA 1.685 53.611 52.037 -0.184 0.000 0.627 399 A CB -0.767 18.280 19.000 0.078 0.000 0.815 399 A HN 0.442 nan 8.150 nan 0.000 0.443 400 A N 0.023 122.378 122.820 -0.775 0.000 1.877 400 A HA 0.133 4.453 4.320 -0.000 0.000 0.216 400 A C 2.492 179.923 177.584 -0.255 0.000 1.186 400 A CA 2.091 53.667 52.037 -0.767 0.000 0.620 400 A CB -1.016 17.840 19.000 -0.239 0.000 0.822 400 A HN 1.077 nan 8.150 nan 0.000 0.443 401 A N -0.177 122.568 122.820 -0.125 0.000 1.972 401 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 401 A C 1.588 178.882 177.584 -0.483 0.000 1.169 401 A CA 1.315 53.160 52.037 -0.320 0.000 0.635 401 A CB -0.495 18.336 19.000 -0.282 0.000 0.810 401 A HN 0.834 nan 8.150 nan 0.000 0.446 405 H N 0.354 119.549 119.070 0.208 0.000 2.717 405 H HA 0.766 5.322 4.556 -0.000 0.000 0.366 405 H C -1.282 173.821 175.328 -0.374 0.000 1.132 405 H CA -0.559 55.425 56.048 -0.106 0.000 1.180 405 H CB 2.840 32.422 29.762 -0.301 0.000 1.678 405 H HN 0.186 nan 8.280 nan 0.000 0.537 406 V N 2.785 122.262 119.914 -0.728 0.000 2.876 406 V HA 0.255 4.375 4.120 -0.000 0.000 0.312 406 V C -0.543 174.967 176.094 -0.974 0.000 1.085 406 V CA -0.406 61.465 62.300 -0.715 0.000 0.945 406 V CB 2.029 33.317 31.823 -0.892 0.000 1.017 406 V HN 0.703 nan 8.190 nan 0.000 0.428 407 F N 2.075 121.918 119.950 -0.178 0.000 2.825 407 F HA 0.521 5.048 4.527 -0.000 0.000 0.322 407 F C 0.369 176.041 175.800 -0.213 0.000 1.127 407 F CA -0.236 57.668 58.000 -0.159 0.000 1.164 407 F CB 0.677 39.600 39.000 -0.128 0.000 1.101 407 F HN 0.316 nan 8.300 nan 0.000 0.529 408 K N 0.733 121.004 120.400 -0.215 0.000 2.579 408 K HA 0.267 4.587 4.320 -0.000 0.000 0.284 408 K C -1.739 174.724 176.600 -0.228 0.000 0.990 408 K CA -0.862 55.240 56.287 -0.308 0.000 0.880 408 K CB 1.807 33.920 32.500 -0.645 0.000 1.488 408 K HN 0.086 nan 8.250 nan 0.000 0.425 409 D N 1.266 121.597 120.400 -0.116 0.000 2.345 409 D HA 0.214 4.854 4.640 -0.000 0.000 0.247 409 D C -0.610 175.734 176.300 0.073 0.000 1.108 409 D CA -0.233 53.762 54.000 -0.010 0.000 0.894 409 D CB 0.767 41.572 40.800 0.008 0.000 1.203 409 D HN 0.621 nan 8.370 nan 0.000 0.430 410 R N 0.199 120.765 120.500 0.110 0.000 3.770 410 R HA -0.229 4.111 4.340 -0.000 0.000 0.305 410 R C -0.162 176.258 176.300 0.200 0.000 1.184 410 R CA 0.701 56.880 56.100 0.130 0.000 0.823 410 R CB -2.639 27.712 30.300 0.085 0.000 1.285 410 R HN 0.735 nan 8.270 nan 0.000 0.499 411 H N -1.759 117.288 119.070 -0.039 0.000 2.594 411 H HA 0.073 4.629 4.556 -0.000 0.000 0.279 411 H C -0.111 175.208 175.328 -0.014 0.000 1.042 411 H CA -0.159 55.841 56.048 -0.080 0.000 1.177 411 H CB 0.566 30.260 29.762 -0.113 0.000 1.524 411 H HN 0.280 nan 8.280 nan 0.000 0.537 412 W N 2.570 123.818 121.300 -0.088 0.000 2.453 412 W HA 0.277 4.937 4.660 -0.000 0.000 0.310 412 W C -1.805 174.723 176.519 0.015 0.000 1.000 412 W CA -0.665 56.633 57.345 -0.078 0.000 1.367 412 W CB 0.771 30.132 29.460 -0.165 0.000 1.269 412 W HN -0.085 nan 8.180 nan 0.000 0.418 413 I N 5.771 126.164 120.570 -0.294 0.000 2.306 413 I HA 0.189 4.359 4.170 -0.000 0.000 0.288 413 I C -0.391 175.576 176.117 -0.250 0.000 1.036 413 I CA -0.311 60.895 61.300 -0.157 0.000 1.221 413 I CB 0.561 38.512 38.000 -0.082 0.000 1.385 413 I HN 0.401 nan 8.210 nan 0.000 0.472 414 N N 5.462 124.029 118.700 -0.221 0.000 2.425 414 N HA 0.259 4.999 4.740 -0.000 0.000 0.289 414 N C -0.552 174.695 175.510 -0.439 0.000 1.074 414 N CA -0.551 52.288 53.050 -0.350 0.000 0.905 414 N CB 1.572 39.905 38.487 -0.257 0.000 1.586 414 N HN 0.578 nan 8.380 nan 0.000 0.490 415 C N 2.316 121.041 119.300 -0.958 0.000 2.485 415 C HA 0.533 4.993 4.460 -0.000 0.000 0.408 415 C C 1.847 176.528 174.990 -0.516 0.000 1.034 415 C CA -0.521 57.944 59.018 -0.922 0.000 1.267 415 C CB -1.219 25.556 27.740 -1.607 0.000 1.703 415 C HN 0.735 nan 8.230 nan 0.000 0.530 416 G N 1.707 110.332 108.800 -0.293 0.000 2.443 416 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 416 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 416 G C 1.606 176.407 174.900 -0.165 0.000 1.131 416 G CA 1.080 46.081 45.100 -0.164 0.000 0.775 416 G HN 0.667 nan 8.290 nan 0.000 0.547 417 Q N -0.190 119.485 119.800 -0.208 0.000 2.349 417 Q HA 0.448 4.788 4.340 -0.000 0.000 0.209 417 Q C 2.298 178.174 176.000 -0.207 0.000 0.920 417 Q CA 1.363 57.064 55.803 -0.170 0.000 0.901 417 Q CB -0.072 28.576 28.738 -0.149 0.000 1.021 417 Q HN 0.260 nan 8.270 nan 0.000 0.519 418 A N -0.492 122.110 122.820 -0.363 0.000 1.993 418 A HA 0.453 4.773 4.320 -0.000 0.000 0.207 418 A C 1.433 178.854 177.584 -0.272 0.000 1.224 418 A CA 0.513 52.304 52.037 -0.411 0.000 0.749 418 A CB -0.662 17.818 19.000 -0.867 0.000 0.884 418 A HN 0.571 nan 8.150 nan 0.000 0.467 419 G N 1.299 109.874 108.800 -0.375 0.000 2.386 419 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.295 419 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.295 419 G C -2.018 172.719 174.900 -0.272 0.000 0.979 419 G CA 0.145 45.038 45.100 -0.345 0.000 1.193 419 G HN 0.513 nan 8.290 nan 0.000 0.508 420 P HA 0.354 nan 4.420 nan 0.000 0.282 420 P C 0.811 177.972 177.300 -0.232 0.000 1.262 420 P CA -0.398 62.593 63.100 -0.182 0.000 0.773 420 P CB 1.058 32.705 31.700 -0.088 0.000 0.879 421 L N 2.642 123.636 121.223 -0.381 0.000 2.514 421 L HA 0.197 4.537 4.340 -0.000 0.000 0.280 421 L C 1.805 178.359 176.870 -0.527 0.000 1.223 421 L CA 1.297 55.726 54.840 -0.685 0.000 0.864 421 L CB -0.515 40.642 42.059 -1.504 0.000 1.118 421 L HN 0.828 nan 8.230 nan 0.000 0.494 422 G N 1.808 110.449 108.800 -0.264 0.000 2.194 422 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.236 422 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.236 422 G C 0.414 175.329 174.900 0.025 0.000 0.987 422 G CA 0.374 45.477 45.100 0.005 0.000 0.635 422 G HN 0.829 nan 8.290 nan 0.000 0.520 423 W N 1.806 122.952 121.300 -0.255 0.000 2.363 423 W HA 0.027 4.687 4.660 -0.000 0.000 0.296 423 W C 2.477 178.869 176.519 -0.212 0.000 1.212 423 W CA 2.765 59.886 57.345 -0.373 0.000 1.260 423 W CB -0.211 28.961 29.460 -0.480 0.000 1.131 423 W HN 0.181 nan 8.180 nan 0.000 0.530 424 T N 1.107 115.710 114.554 0.081 0.000 2.652 424 T HA -0.266 4.084 4.350 -0.000 0.000 0.267 424 T C 1.778 176.422 174.700 -0.093 0.000 1.039 424 T CA 2.173 64.295 62.100 0.037 0.000 1.153 424 T CB -0.568 68.408 68.868 0.180 0.000 0.863 424 T HN 0.115 nan 8.240 nan 0.000 0.428 425 I N 1.845 122.426 120.570 0.019 0.000 2.113 425 I HA -0.131 4.039 4.170 -0.000 0.000 0.238 425 I C -0.422 175.565 176.117 -0.217 0.000 1.070 425 I CA 1.272 62.578 61.300 0.010 0.000 1.332 425 I CB -1.415 36.577 38.000 -0.013 0.000 1.044 425 I HN 0.206 nan 8.210 nan 0.000 0.402 426 P HA -0.186 nan 4.420 nan 0.000 0.215 426 P C 1.451 178.430 177.300 -0.534 0.000 1.153 426 P CA 2.125 65.018 63.100 -0.346 0.000 0.853 426 P CB -0.083 31.450 31.700 -0.278 0.000 0.788 427 A N 0.768 123.141 122.820 -0.745 0.000 1.883 427 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 427 A C 2.529 179.723 177.584 -0.649 0.000 1.186 427 A CA 2.599 54.059 52.037 -0.960 0.000 0.624 427 A CB -1.634 16.286 19.000 -1.800 0.000 0.822 427 A HN 0.236 nan 8.150 nan 0.000 0.444 428 A N -0.282 122.182 122.820 -0.593 0.000 1.883 428 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 428 A C 2.189 179.414 177.584 -0.598 0.000 1.186 428 A CA 1.635 53.297 52.037 -0.626 0.000 0.624 428 A CB -0.704 17.769 19.000 -0.878 0.000 0.822 428 A HN 0.493 nan 8.150 nan 0.000 0.444 429 L N -0.753 120.142 121.223 -0.546 0.000 2.083 429 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 429 L C 2.800 179.521 176.870 -0.247 0.000 1.083 429 L CA 1.054 55.688 54.840 -0.343 0.000 0.752 429 L CB -0.769 41.152 42.059 -0.230 0.000 0.899 429 L HN 0.518 nan 8.230 nan 0.000 0.433 430 G N -0.606 107.975 108.800 -0.365 0.000 2.408 430 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 430 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 430 G C 1.590 176.448 174.900 -0.071 0.000 1.150 430 G CA 0.771 45.702 45.100 -0.282 0.000 0.776 430 G HN 0.188 nan 8.290 nan 0.000 0.542 431 V N 0.529 120.324 119.914 -0.198 0.000 2.343 431 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 431 V C 3.031 179.044 176.094 -0.134 0.000 1.051 431 V CA 1.743 63.933 62.300 -0.183 0.000 1.036 431 V CB -0.642 31.038 31.823 -0.238 0.000 0.654 431 V HN 0.492 nan 8.190 nan 0.000 0.451 432 C N 0.301 119.522 119.300 -0.132 0.000 2.425 432 C HA -0.073 4.387 4.460 -0.000 0.000 0.277 432 C C 3.073 178.069 174.990 0.011 0.000 1.280 432 C CA 0.758 59.738 59.018 -0.064 0.000 1.744 432 C CB -1.346 26.362 27.740 -0.053 0.000 1.989 432 C HN 0.629 nan 8.230 nan 0.000 0.491 433 A N 0.318 123.185 122.820 0.079 0.000 1.969 433 A HA 0.149 4.469 4.320 -0.000 0.000 0.218 433 A C 2.316 180.022 177.584 0.204 0.000 1.169 433 A CA 1.812 53.957 52.037 0.180 0.000 0.635 433 A CB -0.657 18.549 19.000 0.344 0.000 0.810 433 A HN 0.562 nan 8.150 nan 0.000 0.445 434 A N -1.299 121.580 122.820 0.099 0.000 1.968 434 A HA 0.103 4.423 4.320 -0.000 0.000 0.217 434 A C 0.769 178.267 177.584 -0.143 0.000 1.169 434 A CA 1.537 53.435 52.037 -0.232 0.000 0.638 434 A CB -0.028 18.624 19.000 -0.580 0.000 0.812 434 A HN 0.395 nan 8.150 nan 0.000 0.446 435 D N -2.608 117.741 120.400 -0.085 0.000 2.319 435 D HA 0.345 4.985 4.640 -0.000 0.000 0.237 435 D C -2.534 173.744 176.300 -0.037 0.000 1.353 435 D CA -1.511 52.451 54.000 -0.064 0.000 0.992 435 D CB 1.304 42.051 40.800 -0.088 0.000 1.368 435 D HN -0.135 nan 8.370 nan 0.000 0.564 436 P HA -0.091 nan 4.420 nan 0.000 0.223 436 P C 0.915 178.216 177.300 0.002 0.000 1.144 436 P CA 0.747 63.852 63.100 0.008 0.000 0.783 436 P CB 0.355 32.069 31.700 0.024 0.000 0.771 437 K N -1.094 119.300 120.400 -0.010 0.000 2.400 437 K HA 0.059 4.379 4.320 -0.000 0.000 0.194 437 K C 0.933 177.516 176.600 -0.029 0.000 1.033 437 K CA 0.022 56.304 56.287 -0.009 0.000 1.021 437 K CB -0.104 32.394 32.500 -0.003 0.000 0.808 437 K HN 0.049 nan 8.250 nan 0.000 0.505 438 R N 2.615 123.080 120.500 -0.059 0.000 2.449 438 R HA 0.005 4.345 4.340 -0.000 0.000 0.296 438 R C 0.027 176.259 176.300 -0.114 0.000 1.047 438 R CA 0.072 56.104 56.100 -0.114 0.000 1.018 438 R CB -0.029 30.174 30.300 -0.162 0.000 0.962 438 R HN -0.120 nan 8.270 nan 0.000 0.428 439 N N 4.326 122.942 118.700 -0.141 0.000 2.895 439 N HA 0.058 4.798 4.740 -0.000 0.000 0.277 439 N C -1.271 174.100 175.510 -0.233 0.000 1.185 439 N CA -0.074 52.892 53.050 -0.140 0.000 1.106 439 N CB 0.166 38.589 38.487 -0.106 0.000 1.422 439 N HN 0.262 nan 8.380 nan 0.000 0.521 440 V N 2.350 122.157 119.914 -0.178 0.000 2.488 440 V HA 0.270 4.390 4.120 -0.000 0.000 0.277 440 V C 0.320 176.321 176.094 -0.155 0.000 1.046 440 V CA -0.485 61.697 62.300 -0.195 0.000 0.986 440 V CB 1.377 33.108 31.823 -0.153 0.000 0.989 440 V HN 0.113 nan 8.190 nan 0.000 0.475 441 V N 4.297 124.078 119.914 -0.223 0.000 2.525 441 V HA 0.757 4.877 4.120 -0.000 0.000 0.299 441 V C 0.185 176.256 176.094 -0.038 0.000 1.034 441 V CA -0.521 61.675 62.300 -0.174 0.000 0.863 441 V CB 1.756 33.297 31.823 -0.471 0.000 0.999 441 V HN 0.997 nan 8.190 nan 0.000 0.423 442 A N 5.596 128.382 122.820 -0.057 0.000 2.312 442 A HA 0.968 5.288 4.320 -0.000 0.000 0.328 442 A C -0.869 176.622 177.584 -0.156 0.000 1.158 442 A CA -0.468 51.431 52.037 -0.229 0.000 0.821 442 A CB 0.836 19.483 19.000 -0.588 0.000 1.170 442 A HN 0.728 nan 8.150 nan 0.000 0.490 443 I N 0.932 121.460 120.570 -0.070 0.000 2.436 443 I HA 0.505 4.675 4.170 -0.000 0.000 0.289 443 I C 0.113 176.334 176.117 0.174 0.000 1.010 443 I CA 0.238 61.596 61.300 0.098 0.000 1.098 443 I CB 2.127 40.204 38.000 0.129 0.000 1.266 443 I HN 0.437 nan 8.210 nan 0.000 0.434 444 S N 2.394 118.275 115.700 0.301 0.000 2.569 444 S HA 0.791 5.261 4.470 -0.000 0.000 0.280 444 S C -0.002 174.718 174.600 0.199 0.000 1.111 444 S CA -0.811 57.575 58.200 0.310 0.000 0.887 444 S CB 2.013 65.537 63.200 0.541 0.000 1.095 444 S HN 0.841 nan 8.310 nan 0.000 0.476 445 G N 0.515 109.422 108.800 0.179 0.000 2.580 445 G HA2 0.304 4.264 3.960 -0.000 0.000 0.278 445 G HA3 0.304 4.264 3.960 -0.000 0.000 0.278 445 G C 0.583 175.575 174.900 0.153 0.000 1.212 445 G CA -0.458 44.731 45.100 0.148 0.000 0.939 445 G HN 0.765 nan 8.290 nan 0.000 0.513 446 D N -0.621 119.865 120.400 0.143 0.000 2.144 446 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 446 D C 1.831 178.358 176.300 0.379 0.000 0.984 446 D CA 0.828 54.922 54.000 0.157 0.000 0.834 446 D CB -0.181 40.760 40.800 0.236 0.000 0.955 446 D HN 0.242 nan 8.370 nan 0.000 0.465 447 F N 1.960 122.032 119.950 0.203 0.000 2.128 447 F HA -0.071 4.456 4.527 -0.000 0.000 0.295 447 F C 2.024 177.983 175.800 0.265 0.000 1.100 447 F CA 1.192 59.343 58.000 0.252 0.000 1.260 447 F CB -0.555 38.566 39.000 0.202 0.000 1.009 447 F HN -0.145 nan 8.300 nan 0.000 0.476 448 D N -0.546 119.971 120.400 0.195 0.000 2.123 448 D HA -0.301 4.339 4.640 -0.000 0.000 0.196 448 D C 2.245 178.622 176.300 0.129 0.000 0.992 448 D CA 1.452 55.465 54.000 0.022 0.000 0.833 448 D CB -0.606 40.236 40.800 0.069 0.000 0.954 448 D HN 0.262 nan 8.370 nan 0.000 0.455 449 F N 0.765 120.741 119.950 0.044 0.000 2.161 449 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 449 F C 2.369 178.197 175.800 0.047 0.000 1.089 449 F CA 1.560 59.551 58.000 -0.014 0.000 1.282 449 F CB -0.152 38.762 39.000 -0.142 0.000 1.010 449 F HN 0.053 nan 8.300 nan 0.000 0.485 450 Q N -1.326 118.622 119.800 0.247 0.000 2.187 450 Q HA -0.113 4.227 4.340 -0.000 0.000 0.199 450 Q C 2.119 178.173 176.000 0.089 0.000 0.957 450 Q CA 1.080 56.996 55.803 0.188 0.000 0.857 450 Q CB -0.329 28.579 28.738 0.283 0.000 0.929 450 Q HN 0.335 nan 8.270 nan 0.000 0.453 451 F N 0.801 120.658 119.950 -0.155 0.000 2.045 451 F HA -0.231 4.296 4.527 -0.000 0.000 0.297 451 F C 1.255 176.988 175.800 -0.112 0.000 1.114 451 F CA 1.381 59.277 58.000 -0.173 0.000 1.207 451 F CB 0.025 38.908 39.000 -0.194 0.000 0.964 451 F HN 0.023 nan 8.300 nan 0.000 0.486 452 L N -0.437 120.832 121.223 0.076 0.000 3.096 452 L HA 0.223 4.563 4.340 -0.000 0.000 0.272 452 L C 1.243 178.061 176.870 -0.087 0.000 1.311 452 L CA -0.202 54.636 54.840 -0.004 0.000 0.943 452 L CB 0.389 42.446 42.059 -0.004 0.000 1.348 452 L HN 0.135 nan 8.230 nan 0.000 0.562 453 I N 1.083 121.581 120.570 -0.121 0.000 2.361 453 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 453 I C 2.545 178.579 176.117 -0.139 0.000 1.133 453 I CA 1.358 62.514 61.300 -0.239 0.000 1.413 453 I CB 0.298 38.217 38.000 -0.136 0.000 1.073 453 I HN 0.548 nan 8.210 nan 0.000 0.424 454 E N 0.494 120.666 120.200 -0.048 0.000 2.268 454 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 454 E C 1.354 177.956 176.600 0.003 0.000 0.995 454 E CA 0.970 57.366 56.400 -0.006 0.000 0.836 454 E CB -0.543 29.171 29.700 0.022 0.000 0.763 454 E HN 0.530 nan 8.360 nan 0.000 0.491 455 E N 1.114 121.306 120.200 -0.013 0.000 2.338 455 E HA -0.031 4.319 4.350 -0.000 0.000 0.197 455 E C 2.294 178.910 176.600 0.027 0.000 1.007 455 E CA 0.244 56.648 56.400 0.005 0.000 0.849 455 E CB -0.378 29.305 29.700 -0.028 0.000 0.774 455 E HN 0.398 nan 8.360 nan 0.000 0.506 456 L N 0.439 121.664 121.223 0.003 0.000 2.081 456 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 456 L C 2.373 179.288 176.870 0.076 0.000 1.080 456 L CA 1.280 56.150 54.840 0.051 0.000 0.754 456 L CB -0.541 41.523 42.059 0.009 0.000 0.893 456 L HN 0.081 nan 8.230 nan 0.000 0.433 457 A N -0.600 122.254 122.820 0.058 0.000 2.067 457 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 457 A C 2.284 179.931 177.584 0.106 0.000 1.158 457 A CA 1.257 53.333 52.037 0.065 0.000 0.661 457 A CB -0.548 18.479 19.000 0.045 0.000 0.801 457 A HN 0.226 nan 8.150 nan 0.000 0.452 458 V N -0.110 119.889 119.914 0.143 0.000 2.295 458 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 458 V C 2.817 179.085 176.094 0.290 0.000 1.049 458 V CA 1.930 64.382 62.300 0.253 0.000 1.024 458 V CB -1.479 30.455 31.823 0.185 0.000 0.648 458 V HN 0.576 nan 8.190 nan 0.000 0.447 459 G N -0.603 108.319 108.800 0.204 0.000 2.448 459 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.219 459 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.219 459 G C 1.660 176.667 174.900 0.180 0.000 1.127 459 G CA 1.124 46.352 45.100 0.213 0.000 0.766 459 G HN 0.617 nan 8.290 nan 0.000 0.552 460 A N 0.120 123.019 122.820 0.131 0.000 1.878 460 A HA 0.079 4.399 4.320 -0.000 0.000 0.213 460 A C 2.235 179.846 177.584 0.045 0.000 1.192 460 A CA 1.747 53.833 52.037 0.081 0.000 0.619 460 A CB -0.473 18.555 19.000 0.048 0.000 0.837 460 A HN 0.422 nan 8.150 nan 0.000 0.446 461 Q N -1.061 118.743 119.800 0.007 0.000 1.993 461 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 461 Q C -0.333 175.491 176.000 -0.293 0.000 0.984 461 Q CA 1.036 56.732 55.803 -0.179 0.000 0.837 461 Q CB -0.189 28.369 28.738 -0.299 0.000 0.902 461 Q HN 0.500 nan 8.270 nan 0.000 0.423 462 F N 0.940 120.925 119.950 0.058 0.000 2.375 462 F HA 0.242 4.769 4.527 -0.000 0.000 0.333 462 F C -0.021 175.820 175.800 0.068 0.000 1.104 462 F CA -0.733 57.303 58.000 0.059 0.000 1.149 462 F CB 0.721 39.756 39.000 0.059 0.000 1.190 462 F HN -0.010 nan 8.300 nan 0.000 0.533 463 N N 2.695 121.526 118.700 0.219 0.000 3.083 463 N HA 0.336 5.076 4.740 -0.000 0.000 0.260 463 N C -1.122 174.487 175.510 0.164 0.000 1.163 463 N CA -0.027 53.118 53.050 0.159 0.000 1.060 463 N CB 0.024 38.581 38.487 0.118 0.000 1.345 463 N HN 0.395 nan 8.380 nan 0.000 0.515 464 I N 2.724 123.405 120.570 0.186 0.000 2.412 464 I HA 0.310 4.480 4.170 -0.000 0.000 0.279 464 I C -2.184 174.061 176.117 0.214 0.000 1.063 464 I CA -1.990 59.416 61.300 0.176 0.000 1.193 464 I CB 0.880 38.979 38.000 0.166 0.000 1.370 464 I HN 0.121 nan 8.210 nan 0.000 0.479 465 P HA 0.338 nan 4.420 nan 0.000 0.288 465 P C -1.413 176.044 177.300 0.262 0.000 1.267 465 P CA -0.113 63.099 63.100 0.187 0.000 0.815 465 P CB 1.108 32.885 31.700 0.127 0.000 0.989 466 Y N 0.225 120.552 120.300 0.045 0.000 2.750 466 Y HA 0.660 5.210 4.550 -0.000 0.000 0.335 466 Y C -1.721 174.210 175.900 0.051 0.000 1.252 466 Y CA -1.425 56.681 58.100 0.011 0.000 1.064 466 Y CB 0.650 39.092 38.460 -0.030 0.000 1.321 466 Y HN 0.103 nan 8.280 nan 0.000 0.451 467 I N 1.962 122.477 120.570 -0.092 0.000 2.378 467 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 467 I C -1.086 174.998 176.117 -0.054 0.000 0.992 467 I CA -0.540 60.693 61.300 -0.111 0.000 1.154 467 I CB 1.454 39.479 38.000 0.043 0.000 1.315 467 I HN 0.714 nan 8.210 nan 0.000 0.448 468 H N 5.317 124.311 119.070 -0.128 0.000 2.595 468 H HA 0.460 5.016 4.556 -0.000 0.000 0.313 468 H C -1.047 174.353 175.328 0.121 0.000 1.023 468 H CA -0.658 55.446 56.048 0.094 0.000 1.218 468 H CB 1.191 31.052 29.762 0.166 0.000 1.403 468 H HN 0.304 nan 8.280 nan 0.000 0.477 469 V N 7.195 127.305 119.914 0.327 0.000 2.408 469 V HA 0.073 4.193 4.120 -0.000 0.000 0.267 469 V C 0.115 176.357 176.094 0.245 0.000 1.047 469 V CA -0.372 62.105 62.300 0.294 0.000 0.937 469 V CB 0.873 32.888 31.823 0.320 0.000 0.999 469 V HN 0.627 nan 8.190 nan 0.000 0.472 470 L N 7.344 128.590 121.223 0.038 0.000 2.294 470 L HA 0.593 4.933 4.340 -0.000 0.000 0.283 470 L C -0.271 176.525 176.870 -0.123 0.000 1.015 470 L CA -0.691 54.051 54.840 -0.163 0.000 0.831 470 L CB 1.583 43.267 42.059 -0.625 0.000 1.217 470 L HN 0.630 nan 8.230 nan 0.000 0.420 471 V N 1.953 121.843 119.914 -0.039 0.000 2.333 471 V HA 0.490 4.610 4.120 -0.000 0.000 0.274 471 V C -0.371 175.721 176.094 -0.004 0.000 1.028 471 V CA -0.518 61.767 62.300 -0.026 0.000 0.851 471 V CB 1.127 32.956 31.823 0.010 0.000 1.000 471 V HN 0.795 nan 8.190 nan 0.000 0.456 472 N N 4.839 123.534 118.700 -0.007 0.000 2.469 472 N HA 0.394 5.134 4.740 -0.000 0.000 0.253 472 N C 0.235 175.874 175.510 0.216 0.000 0.970 472 N CA -0.385 52.716 53.050 0.086 0.000 0.940 472 N CB 1.412 39.942 38.487 0.073 0.000 1.128 472 N HN 0.900 nan 8.380 nan 0.000 0.503 473 N N 2.929 121.758 118.700 0.215 0.000 2.200 473 N HA 0.141 4.881 4.740 -0.000 0.000 0.224 473 N C 0.083 175.648 175.510 0.092 0.000 1.179 473 N CA 0.164 53.346 53.050 0.220 0.000 0.877 473 N CB 0.050 38.635 38.487 0.163 0.000 1.072 473 N HN 0.460 nan 8.380 nan 0.000 0.519 474 A N -0.664 122.200 122.820 0.074 0.000 2.745 474 A HA -0.244 4.076 4.320 -0.000 0.000 0.296 474 A C -0.893 176.588 177.584 -0.173 0.000 1.500 474 A CA 0.902 52.885 52.037 -0.089 0.000 0.766 474 A CB -2.603 16.168 19.000 -0.382 0.000 1.030 474 A HN 0.615 nan 8.150 nan 0.000 0.489 475 Y N -2.412 117.856 120.300 -0.053 0.000 2.581 475 Y HA 0.494 5.044 4.550 -0.000 0.000 0.337 475 Y C 0.350 176.184 175.900 -0.110 0.000 1.108 475 Y CA -1.064 56.979 58.100 -0.094 0.000 1.033 475 Y CB 1.361 39.773 38.460 -0.081 0.000 1.318 475 Y HN 0.187 nan 8.280 nan 0.000 0.459 476 L N 3.839 125.096 121.223 0.056 0.000 2.395 476 L HA 0.167 4.507 4.340 -0.000 0.000 0.268 476 L C 1.242 178.143 176.870 0.052 0.000 1.223 476 L CA 0.280 55.095 54.840 -0.042 0.000 1.093 476 L CB -0.377 41.560 42.059 -0.204 0.000 1.349 476 L HN 1.060 nan 8.230 nan 0.000 0.427 477 G N 2.116 110.948 108.800 0.053 0.000 2.459 477 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 477 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 477 G C 1.362 176.223 174.900 -0.065 0.000 1.183 477 G CA 0.506 45.581 45.100 -0.041 0.000 0.776 477 G HN 0.517 nan 8.290 nan 0.000 0.552 478 L N 0.788 122.003 121.223 -0.014 0.000 2.042 478 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 478 L C 2.556 179.416 176.870 -0.016 0.000 1.076 478 L CA 1.443 56.275 54.840 -0.014 0.000 0.749 478 L CB -0.327 41.740 42.059 0.014 0.000 0.893 478 L HN 0.155 nan 8.230 nan 0.000 0.432 479 I N -0.500 120.068 120.570 -0.003 0.000 2.286 479 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 479 I C 2.633 178.747 176.117 -0.006 0.000 1.104 479 I CA 1.256 62.559 61.300 0.005 0.000 1.397 479 I CB -1.602 36.403 38.000 0.007 0.000 1.072 479 I HN 0.423 nan 8.210 nan 0.000 0.417 480 R N 1.217 121.697 120.500 -0.034 0.000 2.096 480 R HA -0.269 4.071 4.340 -0.000 0.000 0.240 480 R C 2.302 178.544 176.300 -0.097 0.000 1.139 480 R CA 2.272 58.326 56.100 -0.078 0.000 0.952 480 R CB -0.337 29.806 30.300 -0.263 0.000 0.854 480 R HN 0.468 nan 8.270 nan 0.000 0.436 481 Q N 0.238 119.962 119.800 -0.126 0.000 2.084 481 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 481 Q C 1.982 177.949 176.000 -0.055 0.000 0.978 481 Q CA 2.336 58.054 55.803 -0.140 0.000 0.844 481 Q CB -0.064 28.572 28.738 -0.169 0.000 0.898 481 Q HN 0.515 nan 8.270 nan 0.000 0.426 482 S N -0.551 115.150 115.700 0.001 0.000 2.447 482 S HA -0.146 4.324 4.470 -0.000 0.000 0.233 482 S C 1.637 176.333 174.600 0.160 0.000 1.006 482 S CA 0.972 59.216 58.200 0.073 0.000 0.957 482 S CB -0.142 63.106 63.200 0.080 0.000 0.773 482 S HN 0.456 nan 8.310 nan 0.000 0.507 483 Q N 0.432 120.308 119.800 0.126 0.000 2.472 483 Q HA 0.154 4.494 4.340 -0.000 0.000 0.208 483 Q C 2.170 178.285 176.000 0.192 0.000 0.958 483 Q CA 0.230 56.154 55.803 0.202 0.000 0.932 483 Q CB -0.063 28.742 28.738 0.113 0.000 1.007 483 Q HN 0.606 nan 8.270 nan 0.000 0.508 484 R N 0.367 120.922 120.500 0.091 0.000 2.091 484 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 484 R C 2.237 178.566 176.300 0.048 0.000 1.136 484 R CA 1.389 57.517 56.100 0.046 0.000 0.959 484 R CB -0.384 29.912 30.300 -0.008 0.000 0.856 484 R HN 0.186 nan 8.270 nan 0.000 0.437 485 A N 0.265 123.103 122.820 0.030 0.000 2.024 485 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 485 A C 1.466 178.892 177.584 -0.265 0.000 1.164 485 A CA 1.208 53.166 52.037 -0.131 0.000 0.643 485 A CB -0.414 18.451 19.000 -0.225 0.000 0.806 485 A HN 0.276 nan 8.150 nan 0.000 0.451 486 F N -0.462 119.495 119.950 0.011 0.000 2.693 486 F HA 0.240 4.767 4.527 -0.000 0.000 0.303 486 F C 0.676 176.477 175.800 0.001 0.000 1.097 486 F CA -0.090 57.914 58.000 0.007 0.000 1.330 486 F CB -0.297 38.712 39.000 0.014 0.000 1.067 486 F HN 0.235 nan 8.300 nan 0.000 0.565 490 Y N 2.739 123.060 120.300 0.035 0.000 2.332 490 Y HA 0.316 4.866 4.550 -0.000 0.000 0.325 490 Y C 0.383 176.280 175.900 -0.005 0.000 1.054 490 Y CA -0.760 57.345 58.100 0.008 0.000 1.119 490 Y CB 0.707 39.165 38.460 -0.004 0.000 1.168 490 Y HN 0.524 nan 8.280 nan 0.000 0.439 491 C N 3.555 122.617 119.300 -0.396 0.000 4.397 491 C HA -0.174 4.286 4.460 -0.000 0.000 0.291 491 C C 1.346 176.210 174.990 -0.210 0.000 1.408 491 C CA 1.019 59.803 59.018 -0.390 0.000 1.971 491 C CB -3.025 24.372 27.740 -0.572 0.000 1.258 491 C HN 0.964 nan 8.230 nan 0.000 0.795 492 V N -3.992 115.851 119.914 -0.117 0.000 3.432 492 V HA 0.253 4.373 4.120 -0.000 0.000 0.298 492 V C 0.638 176.655 176.094 -0.129 0.000 1.464 492 V CA 0.418 62.677 62.300 -0.069 0.000 1.046 492 V CB -0.075 31.798 31.823 0.082 0.000 0.887 492 V HN 0.650 nan 8.190 nan 0.000 0.441 493 Q N 0.598 120.236 119.800 -0.270 0.000 2.243 493 Q HA 0.614 4.954 4.340 -0.000 0.000 0.252 493 Q C 0.009 175.832 176.000 -0.294 0.000 0.909 493 Q CA -0.342 55.154 55.803 -0.511 0.000 0.922 493 Q CB 2.497 30.930 28.738 -0.507 0.000 1.215 493 Q HN 0.406 nan 8.270 nan 0.000 0.427 494 L N 0.952 122.016 121.223 -0.265 0.000 2.766 494 L HA 0.332 4.672 4.340 -0.000 0.000 0.242 494 L C 0.429 177.315 176.870 0.026 0.000 1.136 494 L CA -0.275 54.535 54.840 -0.050 0.000 0.933 494 L CB 0.608 42.685 42.059 0.030 0.000 1.241 494 L HN 0.565 nan 8.230 nan 0.000 0.522 495 A N 1.277 124.021 122.820 -0.125 0.000 2.440 495 A HA 0.519 4.839 4.320 -0.000 0.000 0.251 495 A C -0.514 177.115 177.584 0.075 0.000 1.089 495 A CA 0.117 52.070 52.037 -0.141 0.000 0.779 495 A CB -0.148 18.690 19.000 -0.270 0.000 1.022 495 A HN 0.296 nan 8.150 nan 0.000 0.492 496 F N -0.747 119.168 119.950 -0.058 0.000 2.713 496 F HA 0.560 5.087 4.527 -0.000 0.000 0.311 496 F C -0.565 175.231 175.800 -0.006 0.000 1.141 496 F CA -1.211 56.768 58.000 -0.035 0.000 0.939 496 F CB 1.148 40.130 39.000 -0.030 0.000 1.325 496 F HN 0.370 nan 8.300 nan 0.000 0.453 497 E N 2.344 122.645 120.200 0.170 0.000 2.104 497 E HA 0.053 4.403 4.350 -0.000 0.000 0.278 497 E C -0.738 175.963 176.600 0.168 0.000 1.127 497 E CA -0.113 56.338 56.400 0.086 0.000 0.897 497 E CB 0.383 30.135 29.700 0.087 0.000 1.043 497 E HN 0.511 nan 8.360 nan 0.000 0.410 498 N N 3.770 122.474 118.700 0.007 0.000 2.431 498 N HA -0.010 4.730 4.740 -0.000 0.000 0.265 498 N C 1.258 176.824 175.510 0.092 0.000 1.184 498 N CA -0.065 53.039 53.050 0.091 0.000 0.943 498 N CB 0.503 38.955 38.487 -0.059 0.000 1.080 498 N HN 0.502 nan 8.380 nan 0.000 0.477 499 I N 0.848 121.493 120.570 0.126 0.000 2.916 499 I HA -0.108 4.062 4.170 -0.000 0.000 0.267 499 I C 0.087 176.234 176.117 0.051 0.000 1.263 499 I CA 1.088 62.432 61.300 0.075 0.000 1.471 499 I CB -0.145 37.896 38.000 0.067 0.000 1.089 499 I HN 0.309 nan 8.210 nan 0.000 0.468 500 N N 0.180 118.911 118.700 0.052 0.000 2.205 500 N HA 0.137 4.877 4.740 -0.000 0.000 0.201 500 N C -0.507 175.016 175.510 0.021 0.000 1.128 500 N CA -0.042 53.029 53.050 0.034 0.000 0.867 500 N CB 0.865 39.374 38.487 0.036 0.000 0.996 500 N HN 0.114 nan 8.380 nan 0.000 0.503 501 S N -0.462 115.248 115.700 0.017 0.000 2.461 501 S HA 0.106 4.576 4.470 -0.000 0.000 0.216 501 S C 0.559 175.158 174.600 -0.001 0.000 1.201 501 S CA -0.730 57.471 58.200 0.003 0.000 1.171 501 S CB 0.981 64.175 63.200 -0.010 0.000 1.169 501 S HN 0.258 nan 8.310 nan 0.000 0.456 502 S N 1.996 117.697 115.700 0.002 0.000 2.406 502 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 502 S C 1.402 176.001 174.600 -0.002 0.000 1.020 502 S CA 0.711 58.910 58.200 -0.001 0.000 0.965 502 S CB -0.352 62.845 63.200 -0.006 0.000 0.798 502 S HN 0.637 nan 8.310 nan 0.000 0.488 503 E N 2.165 122.367 120.200 0.005 0.000 2.171 503 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 503 E C 2.066 178.725 176.600 0.098 0.000 0.997 503 E CA 1.344 57.760 56.400 0.028 0.000 0.810 503 E CB -0.832 28.904 29.700 0.061 0.000 0.738 503 E HN 0.703 nan 8.360 nan 0.000 0.467 504 V N -1.542 118.406 119.914 0.056 0.000 3.510 504 V HA 0.010 4.130 4.120 -0.000 0.000 0.270 504 V C 0.185 176.314 176.094 0.059 0.000 1.201 504 V CA 0.187 62.508 62.300 0.035 0.000 1.166 504 V CB -0.686 31.116 31.823 -0.034 0.000 0.825 504 V HN 0.229 nan 8.190 nan 0.000 0.484 505 N N 1.310 120.046 118.700 0.061 0.000 2.725 505 N HA -0.206 4.534 4.740 -0.000 0.000 0.251 505 N C 1.104 176.715 175.510 0.168 0.000 1.031 505 N CA 1.306 54.414 53.050 0.097 0.000 0.720 505 N CB -1.494 37.054 38.487 0.102 0.000 0.930 505 N HN 1.384 nan 8.380 nan 0.000 0.543 506 G N -1.260 107.584 108.800 0.073 0.000 2.179 506 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.257 506 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.257 506 G C 0.547 175.435 174.900 -0.019 0.000 1.010 506 G CA 0.610 45.715 45.100 0.007 0.000 0.736 506 G HN 0.531 nan 8.290 nan 0.000 0.513 507 Y N 0.274 120.470 120.300 -0.173 0.000 2.544 507 Y HA 0.336 4.886 4.550 -0.000 0.000 0.286 507 Y C 2.338 178.031 175.900 -0.344 0.000 1.141 507 Y CA 1.365 59.358 58.100 -0.179 0.000 1.299 507 Y CB 0.188 38.590 38.460 -0.095 0.000 1.030 507 Y HN 1.022 nan 8.280 nan 0.000 0.543 508 G N -0.439 108.049 108.800 -0.521 0.000 3.138 508 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.247 508 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.247 508 G C -0.435 173.924 174.900 -0.901 0.000 1.642 508 G CA -0.352 43.910 45.100 -1.396 0.000 1.087 508 G HN -0.052 nan 8.290 nan 0.000 0.558 509 V N 2.934 122.578 119.914 -0.450 0.000 2.673 509 V HA 0.370 4.490 4.120 -0.000 0.000 0.303 509 V C 0.350 176.188 176.094 -0.426 0.000 1.046 509 V CA 0.798 62.924 62.300 -0.289 0.000 1.126 509 V CB 1.538 33.210 31.823 -0.252 0.000 0.934 509 V HN 0.624 nan 8.190 nan 0.000 0.487 510 D N 3.180 123.426 120.400 -0.257 0.000 2.468 510 D HA 0.179 4.819 4.640 -0.000 0.000 0.218 510 D C 1.004 177.222 176.300 -0.138 0.000 1.155 510 D CA -0.164 53.730 54.000 -0.177 0.000 0.924 510 D CB 0.293 41.051 40.800 -0.070 0.000 1.029 510 D HN 0.642 nan 8.370 nan 0.000 0.515 511 H N 1.136 120.210 119.070 0.007 0.000 2.457 511 H HA -0.073 4.483 4.556 -0.000 0.000 0.294 511 H C 2.033 177.374 175.328 0.021 0.000 1.064 511 H CA 0.813 56.879 56.048 0.031 0.000 1.330 511 H CB 0.597 30.308 29.762 -0.085 0.000 1.395 511 H HN 0.222 nan 8.280 nan 0.000 0.541 512 V N 0.954 120.912 119.914 0.075 0.000 2.307 512 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 512 V C 2.103 178.221 176.094 0.039 0.000 1.045 512 V CA 1.783 64.106 62.300 0.037 0.000 1.024 512 V CB -0.279 31.546 31.823 0.002 0.000 0.651 512 V HN 0.388 nan 8.190 nan 0.000 0.449 513 K N -0.352 120.066 120.400 0.029 0.000 2.057 513 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 513 K C 2.064 178.690 176.600 0.044 0.000 1.049 513 K CA 1.330 57.633 56.287 0.027 0.000 0.931 513 K CB -0.362 32.149 32.500 0.017 0.000 0.714 513 K HN 0.326 nan 8.250 nan 0.000 0.440 514 V N 1.349 121.304 119.914 0.069 0.000 2.295 514 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 514 V C 2.353 178.506 176.094 0.099 0.000 1.049 514 V CA 2.076 64.431 62.300 0.092 0.000 1.024 514 V CB -0.651 31.256 31.823 0.140 0.000 0.648 514 V HN 0.354 nan 8.190 nan 0.000 0.447 515 A N -0.511 122.386 122.820 0.128 0.000 1.902 515 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 515 A C 2.181 179.795 177.584 0.051 0.000 1.181 515 A CA 1.860 53.964 52.037 0.112 0.000 0.623 515 A CB -0.444 18.639 19.000 0.138 0.000 0.818 515 A HN 0.622 nan 8.150 nan 0.000 0.443 516 E N -0.745 119.474 120.200 0.031 0.000 2.072 516 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 516 E C 2.157 178.758 176.600 0.001 0.000 0.985 516 E CA 0.728 57.127 56.400 -0.001 0.000 0.801 516 E CB -0.374 29.321 29.700 -0.009 0.000 0.750 516 E HN 0.605 nan 8.360 nan 0.000 0.452 517 G N 1.154 109.963 108.800 0.016 0.000 2.442 517 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 517 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 517 G C 1.453 176.362 174.900 0.015 0.000 1.141 517 G CA 0.469 45.578 45.100 0.015 0.000 0.763 517 G HN 0.117 nan 8.290 nan 0.000 0.554 518 L N 0.272 121.510 121.223 0.024 0.000 2.610 518 L HA 0.260 4.600 4.340 -0.000 0.000 0.232 518 L C 1.991 178.872 176.870 0.018 0.000 1.149 518 L CA 0.522 55.377 54.840 0.024 0.000 0.872 518 L CB 0.084 42.162 42.059 0.031 0.000 0.992 518 L HN 0.393 nan 8.230 nan 0.000 0.447 519 G N -1.530 107.273 108.800 0.005 0.000 2.163 519 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.213 519 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.213 519 G C 0.138 175.026 174.900 -0.020 0.000 0.991 519 G CA -0.166 44.929 45.100 -0.008 0.000 0.653 519 G HN 0.298 nan 8.290 nan 0.000 0.518 520 C N 0.315 119.606 119.300 -0.015 0.000 2.451 520 C HA 0.896 5.356 4.460 -0.000 0.000 0.391 520 C C 0.447 175.399 174.990 -0.063 0.000 1.286 520 C CA -0.998 58.006 59.018 -0.023 0.000 1.935 520 C CB 1.738 29.488 27.740 0.016 0.000 2.188 520 C HN 0.368 nan 8.230 nan 0.000 0.523 521 K N 0.667 121.029 120.400 -0.064 0.000 2.156 521 K HA 0.817 5.137 4.320 -0.000 0.000 0.250 521 K C -0.673 175.914 176.600 -0.021 0.000 0.955 521 K CA -0.034 56.210 56.287 -0.073 0.000 0.855 521 K CB 1.787 34.233 32.500 -0.091 0.000 1.101 521 K HN 0.878 nan 8.250 nan 0.000 0.434 522 A N 2.416 125.226 122.820 -0.017 0.000 2.547 522 A HA 0.712 5.032 4.320 -0.000 0.000 0.297 522 A C -1.168 176.407 177.584 -0.015 0.000 1.056 522 A CA -0.711 51.322 52.037 -0.006 0.000 0.688 522 A CB 0.941 19.944 19.000 0.005 0.000 1.282 522 A HN 0.597 nan 8.150 nan 0.000 0.400 523 I N 0.994 121.548 120.570 -0.026 0.000 2.545 523 I HA 0.577 4.747 4.170 -0.000 0.000 0.292 523 I C 0.011 176.074 176.117 -0.090 0.000 1.040 523 I CA -0.623 60.651 61.300 -0.043 0.000 1.068 523 I CB 2.305 40.284 38.000 -0.035 0.000 1.251 523 I HN 0.787 nan 8.210 nan 0.000 0.424 524 R N 4.616 125.052 120.500 -0.106 0.000 2.460 524 R HA 0.781 5.121 4.340 -0.000 0.000 0.303 524 R C -1.788 174.372 176.300 -0.233 0.000 0.968 524 R CA -0.450 55.524 56.100 -0.209 0.000 0.889 524 R CB 1.734 31.894 30.300 -0.232 0.000 1.123 524 R HN 0.470 nan 8.270 nan 0.000 0.455 525 V N 5.856 125.561 119.914 -0.349 0.000 2.531 525 V HA 0.354 4.474 4.120 -0.000 0.000 0.301 525 V C -0.387 175.465 176.094 -0.403 0.000 1.034 525 V CA -0.424 61.715 62.300 -0.268 0.000 0.865 525 V CB 1.566 33.251 31.823 -0.230 0.000 0.995 525 V HN 0.841 nan 8.190 nan 0.000 0.424 526 F N 1.906 121.789 119.950 -0.112 0.000 2.678 526 F HA 0.349 4.876 4.527 -0.000 0.000 0.291 526 F C 1.116 176.862 175.800 -0.089 0.000 1.123 526 F CA 0.075 58.009 58.000 -0.111 0.000 1.395 526 F CB 0.558 39.496 39.000 -0.104 0.000 1.121 526 F HN 0.281 nan 8.300 nan 0.000 0.592 527 K N 0.723 121.173 120.400 0.083 0.000 2.259 527 K HA 0.279 4.599 4.320 -0.000 0.000 0.252 527 K C -2.021 174.565 176.600 -0.023 0.000 0.936 527 K CA -1.883 54.421 56.287 0.030 0.000 0.810 527 K CB 1.717 34.235 32.500 0.030 0.000 1.143 527 K HN -0.327 nan 8.250 nan 0.000 0.427 528 P HA -0.242 nan 4.420 nan 0.000 0.217 528 P C 0.862 178.134 177.300 -0.047 0.000 1.150 528 P CA 1.350 64.422 63.100 -0.046 0.000 0.832 528 P CB 0.214 31.889 31.700 -0.042 0.000 0.787 529 E N 0.015 120.197 120.200 -0.031 0.000 2.338 529 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 529 E C 0.603 177.180 176.600 -0.038 0.000 1.007 529 E CA 1.031 57.418 56.400 -0.022 0.000 0.849 529 E CB -0.938 28.759 29.700 -0.006 0.000 0.774 529 E HN 0.212 nan 8.360 nan 0.000 0.506 530 D N 0.752 121.120 120.400 -0.054 0.000 2.349 530 D HA 0.132 4.772 4.640 -0.000 0.000 0.224 530 D C 1.890 178.099 176.300 -0.152 0.000 1.029 530 D CA 0.128 54.083 54.000 -0.075 0.000 0.879 530 D CB 0.033 40.802 40.800 -0.052 0.000 0.906 530 D HN 0.312 nan 8.370 nan 0.000 0.528 531 I N 0.882 121.339 120.570 -0.189 0.000 2.233 531 I HA -0.188 3.982 4.170 -0.000 0.000 0.243 531 I C 2.475 178.330 176.117 -0.438 0.000 1.093 531 I CA 0.797 61.873 61.300 -0.373 0.000 1.380 531 I CB -0.206 37.618 38.000 -0.293 0.000 1.067 531 I HN -0.070 nan 8.210 nan 0.000 0.413 532 A N 1.578 124.297 122.820 -0.169 0.000 1.865 532 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 532 A C 0.085 177.642 177.584 -0.045 0.000 1.191 532 A CA 1.862 53.874 52.037 -0.041 0.000 0.623 532 A CB -2.047 16.962 19.000 0.015 0.000 0.826 532 A HN 0.271 nan 8.150 nan 0.000 0.444 533 P HA -0.112 nan 4.420 nan 0.000 0.216 533 P C 1.652 178.926 177.300 -0.044 0.000 1.150 533 P CA 1.858 64.938 63.100 -0.033 0.000 0.837 533 P CB -0.149 31.531 31.700 -0.033 0.000 0.786 534 A N -1.115 121.625 122.820 -0.134 0.000 1.902 534 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 534 A C 1.918 179.482 177.584 -0.033 0.000 1.181 534 A CA 1.431 53.382 52.037 -0.143 0.000 0.623 534 A CB -1.726 17.104 19.000 -0.283 0.000 0.818 534 A HN 0.044 nan 8.150 nan 0.000 0.443 535 F N 0.585 120.530 119.950 -0.007 0.000 2.171 535 F HA -0.091 4.436 4.527 -0.000 0.000 0.300 535 F C 2.451 178.256 175.800 0.008 0.000 1.090 535 F CA 1.193 59.188 58.000 -0.007 0.000 1.293 535 F CB -0.601 38.290 39.000 -0.181 0.000 1.013 535 F HN 0.222 nan 8.300 nan 0.000 0.486 536 E N 0.238 120.536 120.200 0.165 0.000 2.047 536 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 536 E C 2.180 178.842 176.600 0.102 0.000 0.987 536 E CA 0.994 57.457 56.400 0.106 0.000 0.799 536 E CB -0.670 29.067 29.700 0.061 0.000 0.752 536 E HN 0.519 nan 8.360 nan 0.000 0.449 537 Q N 0.376 120.227 119.800 0.086 0.000 2.096 537 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 537 Q C 2.177 178.244 176.000 0.111 0.000 0.982 537 Q CA 1.699 57.550 55.803 0.081 0.000 0.850 537 Q CB -0.247 28.523 28.738 0.054 0.000 0.901 537 Q HN 0.262 nan 8.270 nan 0.000 0.422 538 A N 1.337 124.243 122.820 0.145 0.000 1.908 538 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 538 A C 1.916 179.599 177.584 0.164 0.000 1.181 538 A CA 1.759 53.897 52.037 0.169 0.000 0.627 538 A CB -0.361 18.791 19.000 0.252 0.000 0.818 538 A HN 0.204 nan 8.150 nan 0.000 0.445 539 K N -0.217 120.290 120.400 0.178 0.000 2.103 539 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 539 K C 2.250 178.919 176.600 0.115 0.000 1.048 539 K CA 1.247 57.626 56.287 0.152 0.000 0.930 539 K CB -0.334 32.258 32.500 0.152 0.000 0.716 539 K HN 0.461 nan 8.250 nan 0.000 0.444 540 A N 1.307 124.190 122.820 0.105 0.000 1.873 540 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 540 A C 1.213 178.857 177.584 0.100 0.000 1.186 540 A CA 0.766 52.853 52.037 0.084 0.000 0.616 540 A CB -0.539 18.505 19.000 0.073 0.000 0.823 540 A HN 0.108 nan 8.150 nan 0.000 0.442 544 Q N -1.039 118.748 119.800 -0.022 0.000 2.165 544 Q HA 0.055 4.395 4.340 -0.000 0.000 0.197 544 Q C 1.526 177.415 176.000 -0.185 0.000 0.952 544 Q CA 1.647 57.360 55.803 -0.150 0.000 0.848 544 Q CB -0.255 28.314 28.738 -0.282 0.000 0.931 544 Q HN 0.682 nan 8.270 nan 0.000 0.470 545 Y N 0.084 120.405 120.300 0.035 0.000 2.503 545 Y HA 0.267 4.817 4.550 -0.000 0.000 0.278 545 Y C 0.169 176.094 175.900 0.041 0.000 1.111 545 Y CA -0.158 57.962 58.100 0.034 0.000 1.270 545 Y CB 0.820 39.300 38.460 0.033 0.000 1.063 545 Y HN -0.006 nan 8.280 nan 0.000 0.548 546 R N 0.103 120.712 120.500 0.181 0.000 3.423 546 R HA -0.125 4.215 4.340 -0.000 0.000 0.271 546 R C -0.948 175.437 176.300 0.141 0.000 1.093 546 R CA 0.785 56.965 56.100 0.134 0.000 0.730 546 R CB -2.738 27.626 30.300 0.106 0.000 1.190 546 R HN 0.282 nan 8.270 nan 0.000 0.437 547 V N -4.489 115.510 119.914 0.141 0.000 3.130 547 V HA 0.773 4.893 4.120 -0.000 0.000 0.310 547 V C -2.442 173.695 176.094 0.071 0.000 1.158 547 V CA -2.803 59.565 62.300 0.112 0.000 1.029 547 V CB 2.618 34.491 31.823 0.084 0.000 1.057 547 V HN -0.158 nan 8.190 nan 0.000 0.436 548 P HA 0.261 nan 4.420 nan 0.000 0.265 548 P C -0.810 176.422 177.300 -0.113 0.000 1.193 548 P CA 0.214 63.234 63.100 -0.133 0.000 0.765 548 P CB 0.598 32.252 31.700 -0.077 0.000 0.823 549 V N 4.627 124.441 119.914 -0.166 0.000 2.444 549 V HA 0.219 4.339 4.120 -0.000 0.000 0.294 549 V C 0.080 176.155 176.094 -0.031 0.000 1.022 549 V CA -0.692 61.578 62.300 -0.050 0.000 0.850 549 V CB 2.061 33.895 31.823 0.020 0.000 0.992 549 V HN 0.202 nan 8.190 nan 0.000 0.426 550 V N 5.662 125.583 119.914 0.013 0.000 2.407 550 V HA 0.385 4.505 4.120 -0.000 0.000 0.278 550 V C 0.003 176.110 176.094 0.022 0.000 1.037 550 V CA -0.459 61.864 62.300 0.038 0.000 0.900 550 V CB 1.808 33.651 31.823 0.035 0.000 0.983 550 V HN 0.612 nan 8.190 nan 0.000 0.459 551 V N 4.917 124.865 119.914 0.057 0.000 2.293 551 V HA 0.311 4.431 4.120 -0.000 0.000 0.275 551 V C 0.197 176.256 176.094 -0.059 0.000 1.021 551 V CA -0.498 61.817 62.300 0.025 0.000 0.815 551 V CB 1.229 33.139 31.823 0.144 0.000 1.025 551 V HN 0.953 nan 8.190 nan 0.000 0.448 552 E N 4.189 124.303 120.200 -0.143 0.000 2.229 552 E HA 0.471 4.821 4.350 -0.000 0.000 0.283 552 E C -1.210 175.251 176.600 -0.231 0.000 1.030 552 E CA -0.397 55.877 56.400 -0.209 0.000 0.836 552 E CB 1.552 31.120 29.700 -0.220 0.000 1.068 552 E HN 0.472 nan 8.360 nan 0.000 0.401 553 V N 6.349 126.138 119.914 -0.208 0.000 2.370 553 V HA 0.215 4.335 4.120 -0.000 0.000 0.283 553 V C 0.033 175.985 176.094 -0.236 0.000 1.023 553 V CA -0.880 61.284 62.300 -0.228 0.000 0.857 553 V CB 1.320 33.046 31.823 -0.163 0.000 0.985 553 V HN 0.678 nan 8.190 nan 0.000 0.443 554 I N 6.414 126.775 120.570 -0.350 0.000 2.347 554 I HA 0.238 4.408 4.170 -0.000 0.000 0.294 554 I C 0.267 176.300 176.117 -0.140 0.000 1.090 554 I CA 0.302 61.396 61.300 -0.344 0.000 1.314 554 I CB 0.230 37.852 38.000 -0.629 0.000 1.423 554 I HN 0.419 nan 8.210 nan 0.000 0.503 555 L N 5.725 126.949 121.223 0.002 0.000 2.439 555 L HA 0.303 4.643 4.340 -0.000 0.000 0.259 555 L C 1.044 178.003 176.870 0.148 0.000 1.129 555 L CA -0.862 54.008 54.840 0.050 0.000 0.803 555 L CB 0.577 42.667 42.059 0.053 0.000 1.161 555 L HN 0.596 nan 8.230 nan 0.000 0.462 556 E N 1.236 121.486 120.200 0.082 0.000 2.415 556 E HA 0.032 4.382 4.350 -0.000 0.000 0.262 556 E C 0.268 176.928 176.600 0.101 0.000 1.038 556 E CA -0.603 55.855 56.400 0.096 0.000 0.921 556 E CB 0.784 30.495 29.700 0.018 0.000 0.950 556 E HN 0.414 nan 8.360 nan 0.000 0.438 557 R N 1.648 122.208 120.500 0.100 0.000 2.075 557 R HA 0.005 4.345 4.340 -0.000 0.000 0.232 557 R C 0.271 176.582 176.300 0.018 0.000 1.126 557 R CA 0.795 56.954 56.100 0.098 0.000 0.963 557 R CB -0.146 30.212 30.300 0.097 0.000 0.858 557 R HN 0.456 nan 8.270 nan 0.000 0.435 558 V N 1.744 121.624 119.914 -0.057 0.000 2.407 558 V HA 0.278 4.398 4.120 -0.000 0.000 0.291 558 V C -0.531 175.483 176.094 -0.133 0.000 1.018 558 V CA -0.474 61.724 62.300 -0.171 0.000 0.842 558 V CB 1.994 33.707 31.823 -0.182 0.000 0.996 558 V HN 0.108 nan 8.190 nan 0.000 0.426 559 T N 3.774 118.238 114.554 -0.150 0.000 2.928 559 T HA 0.384 4.734 4.350 -0.000 0.000 0.296 559 T C -0.436 174.170 174.700 -0.158 0.000 1.000 559 T CA -0.613 61.410 62.100 -0.129 0.000 0.989 559 T CB 1.089 69.901 68.868 -0.094 0.000 1.005 559 T HN 0.614 nan 8.240 nan 0.000 0.442 560 N N 2.913 121.498 118.700 -0.191 0.000 2.420 560 N HA 0.340 5.080 4.740 -0.000 0.000 0.249 560 N C -0.235 175.214 175.510 -0.101 0.000 1.033 560 N CA -0.639 52.214 53.050 -0.329 0.000 0.944 560 N CB 0.573 38.582 38.487 -0.795 0.000 1.113 560 N HN 0.427 nan 8.380 nan 0.000 0.502 561 I N 1.384 121.926 120.570 -0.047 0.000 2.581 561 I HA 0.145 4.315 4.170 -0.000 0.000 0.288 561 I C 1.170 177.402 176.117 0.193 0.000 1.047 561 I CA -0.124 61.222 61.300 0.077 0.000 1.374 561 I CB 1.041 39.067 38.000 0.043 0.000 1.423 561 I HN 0.445 nan 8.210 nan 0.000 0.549 565 S N -1.264 114.437 115.700 0.002 0.000 2.535 565 S HA 0.369 4.839 4.470 -0.000 0.000 0.214 565 S C 0.297 174.894 174.600 -0.005 0.000 0.980 565 S CA 0.461 58.662 58.200 0.001 0.000 0.907 565 S CB 0.204 63.406 63.200 0.003 0.000 0.790 565 S HN 0.522 nan 8.310 nan 0.000 0.510 566 E N 0.257 120.451 120.200 -0.010 0.000 2.408 566 E HA 0.387 4.737 4.350 -0.000 0.000 0.275 566 E C 0.400 176.990 176.600 -0.017 0.000 0.935 566 E CA -0.635 55.760 56.400 -0.008 0.000 0.775 566 E CB 1.407 31.104 29.700 -0.005 0.000 1.277 566 E HN 0.066 nan 8.360 nan 0.000 0.455 567 L N 0.542 121.759 121.223 -0.011 0.000 2.079 567 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 567 L C 1.378 178.230 176.870 -0.030 0.000 1.081 567 L CA 1.651 56.476 54.840 -0.025 0.000 0.752 567 L CB -0.448 41.602 42.059 -0.014 0.000 0.896 567 L HN 0.510 nan 8.230 nan 0.000 0.433 568 D N -2.309 118.078 120.400 -0.022 0.000 2.325 568 D HA -0.089 4.551 4.640 -0.000 0.000 0.225 568 D C 0.914 177.197 176.300 -0.028 0.000 1.096 568 D CA 0.194 54.180 54.000 -0.023 0.000 0.844 568 D CB -0.254 40.536 40.800 -0.017 0.000 0.925 568 D HN 0.190 nan 8.370 nan 0.000 0.513 569 N N -0.522 118.159 118.700 -0.032 0.000 2.167 569 N HA 0.083 4.823 4.740 -0.000 0.000 0.234 569 N C -0.560 174.922 175.510 -0.047 0.000 1.312 569 N CA -0.155 52.873 53.050 -0.037 0.000 0.861 569 N CB 0.929 39.401 38.487 -0.026 0.000 1.217 569 N HN -0.112 nan 8.380 nan 0.000 0.504 573 F N 0.453 120.417 119.950 0.024 0.000 2.220 573 F HA 0.080 4.607 4.527 -0.000 0.000 0.290 573 F C 1.463 177.285 175.800 0.036 0.000 1.080 573 F CA 0.518 58.530 58.000 0.020 0.000 1.318 573 F CB 0.424 39.426 39.000 0.005 0.000 1.063 573 F HN 0.097 nan 8.300 nan 0.000 0.498 574 E N 0.964 121.316 120.200 0.253 0.000 2.342 574 E HA 0.054 4.404 4.350 -0.000 0.000 0.257 574 E C -0.719 176.001 176.600 0.201 0.000 1.150 574 E CA -0.314 56.203 56.400 0.195 0.000 0.926 574 E CB 0.280 30.083 29.700 0.172 0.000 1.074 574 E HN 0.023 nan 8.360 nan 0.000 0.449 575 D N 1.324 121.884 120.400 0.267 0.000 2.493 575 D HA 0.053 4.692 4.640 -0.000 0.000 0.240 575 D C 0.597 177.004 176.300 0.178 0.000 1.142 575 D CA 0.256 54.386 54.000 0.216 0.000 0.872 575 D CB 0.162 41.105 40.800 0.238 0.000 1.173 575 D HN 0.291 nan 8.370 nan 0.000 0.467 576 I N -1.139 119.500 120.570 0.115 0.000 3.276 576 I HA 0.638 4.808 4.170 -0.000 0.000 0.306 576 I C -0.015 176.153 176.117 0.085 0.000 1.060 576 I CA -0.831 60.528 61.300 0.099 0.000 1.133 576 I CB 0.923 38.965 38.000 0.070 0.000 1.473 576 I HN 0.283 nan 8.210 nan 0.000 0.649 577 A N 1.604 124.477 122.820 0.088 0.000 2.547 577 A HA 0.529 4.849 4.320 -0.000 0.000 0.297 577 A C -0.907 176.730 177.584 0.088 0.000 1.056 577 A CA -0.329 51.753 52.037 0.076 0.000 0.688 577 A CB 1.357 20.407 19.000 0.083 0.000 1.282 577 A HN 0.867 nan 8.150 nan 0.000 0.400 578 D N -0.055 120.384 120.400 0.065 0.000 2.540 578 D HA 0.175 4.815 4.640 -0.000 0.000 0.229 578 D C -0.216 176.120 176.300 0.059 0.000 1.250 578 D CA 0.097 54.140 54.000 0.072 0.000 0.817 578 D CB -0.197 40.631 40.800 0.048 0.000 1.060 578 D HN 0.516 nan 8.370 nan 0.000 0.508 579 N N -1.117 117.597 118.700 0.024 0.000 2.732 579 N HA 0.504 5.244 4.740 -0.000 0.000 0.259 579 N C 0.362 175.746 175.510 -0.210 0.000 1.402 579 N CA -0.446 52.544 53.050 -0.101 0.000 0.829 579 N CB 1.147 39.560 38.487 -0.122 0.000 1.495 579 N HN -0.152 nan 8.380 nan 0.000 0.511 580 A N -0.178 122.278 122.820 -0.606 0.000 2.014 580 A HA 0.258 4.578 4.320 -0.000 0.000 0.218 580 A C 2.001 179.417 177.584 -0.280 0.000 1.163 580 A CA 1.532 53.150 52.037 -0.700 0.000 0.652 580 A CB -1.300 16.926 19.000 -1.290 0.000 0.808 580 A HN 0.882 nan 8.150 nan 0.000 0.449 581 A N 0.301 122.977 122.820 -0.240 0.000 1.940 581 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 581 A C 1.707 179.205 177.584 -0.144 0.000 1.176 581 A CA 1.934 53.859 52.037 -0.186 0.000 0.631 581 A CB -0.418 18.492 19.000 -0.150 0.000 0.814 581 A HN 0.468 nan 8.150 nan 0.000 0.446 582 D N -0.892 119.457 120.400 -0.084 0.000 2.271 582 D HA 0.227 4.867 4.640 -0.000 0.000 0.206 582 D C 0.800 177.122 176.300 0.036 0.000 0.967 582 D CA 1.230 55.206 54.000 -0.040 0.000 0.867 582 D CB 0.087 40.859 40.800 -0.047 0.000 0.960 582 D HN 0.370 nan 8.370 nan 0.000 0.509 583 A N 1.401 124.269 122.820 0.079 0.000 3.258 583 A HA 0.320 4.640 4.320 -0.000 0.000 0.318 583 A C -1.910 175.827 177.584 0.255 0.000 0.990 583 A CA -0.870 51.283 52.037 0.194 0.000 0.885 583 A CB 0.836 19.986 19.000 0.250 0.000 1.090 583 A HN -0.129 nan 8.150 nan 0.000 0.479 584 P HA -0.072 nan 4.420 nan 0.000 0.233 584 P C 1.015 178.477 177.300 0.270 0.000 1.167 584 P CA 1.485 64.679 63.100 0.157 0.000 0.770 584 P CB -0.051 31.663 31.700 0.023 0.000 0.837 585 T N -4.393 110.355 114.554 0.323 0.000 3.134 585 T HA 0.146 4.496 4.350 -0.000 0.000 0.260 585 T C 0.556 175.559 174.700 0.505 0.000 1.027 585 T CA -0.357 61.974 62.100 0.385 0.000 0.913 585 T CB -0.325 68.784 68.868 0.402 0.000 1.046 585 T HN -0.111 nan 8.240 nan 0.000 0.553 586 E N 2.590 123.029 120.200 0.398 0.000 2.413 586 E HA 0.060 4.410 4.350 -0.000 0.000 0.263 586 E C 1.478 178.096 176.600 0.030 0.000 1.015 586 E CA 0.390 56.895 56.400 0.174 0.000 0.916 586 E CB 1.322 30.976 29.700 -0.077 0.000 0.947 586 E HN 0.555 nan 8.360 nan 0.000 0.440 587 T N -1.248 113.209 114.554 -0.162 0.000 2.929 587 T HA -0.193 4.157 4.350 -0.000 0.000 0.271 587 T C 1.885 176.554 174.700 -0.051 0.000 1.085 587 T CA 0.962 63.054 62.100 -0.013 0.000 1.125 587 T CB -0.326 68.440 68.868 -0.170 0.000 0.874 587 T HN 0.577 nan 8.240 nan 0.000 0.494 588 C N 0.204 119.329 119.300 -0.292 0.000 2.448 588 C HA 0.343 4.803 4.460 -0.000 0.000 0.280 588 C C 0.894 175.780 174.990 -0.173 0.000 1.398 588 C CA -0.724 58.091 59.018 -0.338 0.000 1.774 588 C CB -1.592 25.776 27.740 -0.620 0.000 1.888 588 C HN 0.545 nan 8.230 nan 0.000 0.519 592 Y N 4.084 124.011 120.300 -0.623 0.000 2.353 592 Y HA 0.350 4.900 4.550 -0.000 0.000 0.340 592 Y C 0.960 176.385 175.900 -0.791 0.000 0.972 592 Y CA 0.448 58.175 58.100 -0.622 0.000 1.157 592 Y CB 0.806 38.805 38.460 -0.768 0.000 1.157 592 Y HN 0.931 nan 8.280 nan 0.000 0.495 593 E N 0.000 119.949 120.200 -0.418 0.000 2.725 593 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 593 E CA 0.000 56.248 56.400 -0.254 0.000 0.976 593 E CB 0.000 29.604 29.700 -0.161 0.000 0.812 593 E HN 0.000 nan 8.360 nan 0.000 0.440