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 1o6u_1_A DATA FIRST_RESID 2 DATA SEQUENCE SGRVGDLSPR QKEALAKFRE NVQDVLPALP NPDDYFLLRW LRARSFDLQK DATA SEQUENCE SEAXLRKHVE FRKQKDIDNI ISWQPPEVIQ QYLSGGXCGY DLDGCPVWYD DATA SEQUENCE IIGPLDAKGL LFSASKQDLL RTKXRECELL LQECAHQTTK LGRKVETITI DATA SEQUENCE IYDCEGLGLK HLWKPAVEAY GEFLCXFEEN YPETLKRLFV VKAPKLFPVA DATA SEQUENCE YNLIKPFLSE DTRKKIXVLG ANWKEVLLKH ISPDQVPVEY GGTXTDPDGN DATA SEQUENCE PKCKSKINYG GDIPRKYYVR DQVKQQYEHS VQISRGSSHQ VEYEILFPGC DATA SEQUENCE VLRWQFXSDG ADVGFGIFLK XXXXERQRAG EXTEVLPNQR YNSHLVPEDG DATA SEQUENCE TLTCSDPGIY VLRFDNTYSF IHAKKVNFTV EVLLPDKASE EKXKQLG 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.621 174.600 0.035 0.000 1.055 2 S CA 0.000 58.200 58.200 0.001 0.000 1.107 2 S CB 0.000 63.209 63.200 0.015 0.000 0.593 3 G N 1.686 110.489 108.800 0.005 0.000 2.198 3 G HA2 -0.286 3.686 3.960 0.020 0.000 0.260 3 G HA3 -0.286 3.686 3.960 0.020 0.000 0.260 3 G C -0.064 174.956 174.900 0.200 0.000 1.025 3 G CA 0.548 45.723 45.100 0.126 0.000 0.769 3 G HN 0.773 nan 8.290 nan 0.000 0.507 4 R N -1.147 119.409 120.500 0.093 0.000 2.787 4 R HA 0.592 4.944 4.340 0.020 0.000 0.271 4 R C 0.493 176.820 176.300 0.046 0.000 0.993 4 R CA -1.004 55.143 56.100 0.078 0.000 0.993 4 R CB 1.705 32.049 30.300 0.072 0.000 1.155 4 R HN 0.072 nan 8.270 nan 0.000 0.486 5 V N 1.939 121.861 119.914 0.014 0.000 2.644 5 V HA 0.053 4.186 4.120 0.020 0.000 0.305 5 V C 1.399 177.499 176.094 0.011 0.000 1.053 5 V CA 1.888 64.152 62.300 -0.059 0.000 1.186 5 V CB 0.578 32.243 31.823 -0.264 0.000 0.895 5 V HN 1.143 nan 8.190 nan 0.000 0.490 6 G N 4.068 112.867 108.800 -0.002 0.000 2.176 6 G HA2 -0.235 3.737 3.960 0.020 0.000 0.253 6 G HA3 -0.235 3.737 3.960 0.020 0.000 0.253 6 G C 0.108 175.016 174.900 0.013 0.000 0.979 6 G CA 0.368 45.479 45.100 0.017 0.000 0.641 6 G HN 0.930 nan 8.290 nan 0.000 0.530 7 D N -0.208 120.197 120.400 0.008 0.000 3.216 7 D HA 0.341 4.993 4.640 0.020 0.000 0.348 7 D C 0.351 176.639 176.300 -0.021 0.000 1.407 7 D CA -0.409 53.590 54.000 -0.002 0.000 0.744 7 D CB -0.259 40.546 40.800 0.009 0.000 1.264 7 D HN 0.327 nan 8.370 nan 0.000 0.543 8 L N 1.146 122.352 121.223 -0.028 0.000 2.307 8 L HA 0.507 4.859 4.340 0.020 0.000 0.282 8 L C 0.938 177.760 176.870 -0.080 0.000 1.051 8 L CA -0.887 53.916 54.840 -0.061 0.000 0.804 8 L CB 1.683 43.722 42.059 -0.033 0.000 1.197 8 L HN 0.162 nan 8.230 nan 0.000 0.431 9 S N 2.504 118.125 115.700 -0.131 0.000 2.614 9 S HA 0.283 4.765 4.470 0.020 0.000 0.265 9 S C -1.548 172.992 174.600 -0.100 0.000 1.303 9 S CA -1.074 57.057 58.200 -0.115 0.000 1.000 9 S CB 0.889 64.000 63.200 -0.149 0.000 0.935 9 S HN 0.537 nan 8.310 nan 0.000 0.551 10 P HA -0.173 nan 4.420 nan 0.000 0.218 10 P C 1.326 178.593 177.300 -0.056 0.000 1.148 10 P CA 1.154 64.224 63.100 -0.050 0.000 0.822 10 P CB 0.075 31.752 31.700 -0.038 0.000 0.784 11 R N 0.150 120.600 120.500 -0.085 0.000 2.090 11 R HA -0.067 4.285 4.340 0.020 0.000 0.228 11 R C 2.589 178.821 176.300 -0.112 0.000 1.110 11 R CA 1.296 57.344 56.100 -0.087 0.000 0.973 11 R CB -0.393 29.844 30.300 -0.105 0.000 0.869 11 R HN 0.176 nan 8.270 nan 0.000 0.440 12 Q N -0.223 119.449 119.800 -0.214 0.000 2.123 12 Q HA -0.093 4.259 4.340 0.020 0.000 0.199 12 Q C 1.868 177.866 176.000 -0.003 0.000 0.966 12 Q CA 1.249 56.879 55.803 -0.288 0.000 0.845 12 Q CB 0.107 28.470 28.738 -0.625 0.000 0.907 12 Q HN 0.250 nan 8.270 nan 0.000 0.439 13 K N 0.925 121.314 120.400 -0.018 0.000 2.057 13 K HA -0.200 4.132 4.320 0.020 0.000 0.207 13 K C 2.017 178.647 176.600 0.051 0.000 1.049 13 K CA 1.273 57.577 56.287 0.028 0.000 0.931 13 K CB -0.007 32.495 32.500 0.003 0.000 0.714 13 K HN 0.207 nan 8.250 nan 0.000 0.440 14 E N 0.575 120.794 120.200 0.032 0.000 2.110 14 E HA -0.180 4.182 4.350 0.020 0.000 0.193 14 E C 1.854 178.502 176.600 0.079 0.000 0.988 14 E CA 1.017 57.442 56.400 0.043 0.000 0.804 14 E CB 0.005 29.718 29.700 0.021 0.000 0.745 14 E HN 0.313 nan 8.360 nan 0.000 0.458 15 A N 0.936 123.818 122.820 0.104 0.000 1.898 15 A HA -0.138 4.194 4.320 0.020 0.000 0.216 15 A C 2.119 179.824 177.584 0.202 0.000 1.181 15 A CA 1.208 53.341 52.037 0.161 0.000 0.620 15 A CB -0.618 18.527 19.000 0.241 0.000 0.819 15 A HN 0.393 nan 8.150 nan 0.000 0.442 16 L N -0.108 121.243 121.223 0.212 0.000 2.046 16 L HA -0.055 4.297 4.340 0.020 0.000 0.208 16 L C 2.581 179.571 176.870 0.199 0.000 1.077 16 L CA 2.309 57.282 54.840 0.222 0.000 0.747 16 L CB -0.859 41.309 42.059 0.182 0.000 0.896 16 L HN 0.319 nan 8.230 nan 0.000 0.432 17 A N -0.592 122.308 122.820 0.133 0.000 1.902 17 A HA -0.213 4.119 4.320 0.020 0.000 0.217 17 A C 2.345 179.988 177.584 0.098 0.000 1.181 17 A CA 1.927 54.021 52.037 0.094 0.000 0.623 17 A CB -0.506 18.531 19.000 0.062 0.000 0.818 17 A HN 0.524 nan 8.150 nan 0.000 0.443 18 K N -1.637 118.833 120.400 0.117 0.000 2.057 18 K HA -0.087 4.246 4.320 0.020 0.000 0.206 18 K C 1.778 178.468 176.600 0.150 0.000 1.050 18 K CA 1.392 57.744 56.287 0.109 0.000 0.935 18 K CB -0.326 32.237 32.500 0.105 0.000 0.715 18 K HN 0.454 nan 8.250 nan 0.000 0.439 19 F N 2.378 122.343 119.950 0.024 0.000 2.095 19 F HA -0.194 4.344 4.527 0.018 0.000 0.298 19 F C 2.423 178.229 175.800 0.008 0.000 1.104 19 F CA 1.483 59.489 58.000 0.010 0.000 1.232 19 F CB -0.256 38.749 39.000 0.009 0.000 0.987 19 F HN -0.122 nan 8.300 nan 0.000 0.475 20 R N 0.421 120.918 120.500 -0.004 0.000 2.091 20 R HA -0.181 4.171 4.340 0.020 0.000 0.238 20 R C 2.190 178.421 176.300 -0.117 0.000 1.136 20 R CA 2.050 58.085 56.100 -0.108 0.000 0.959 20 R CB -0.375 29.927 30.300 0.003 0.000 0.856 20 R HN 0.416 nan 8.270 nan 0.000 0.437 21 E N -0.019 120.151 120.200 -0.050 0.000 2.051 21 E HA -0.170 4.192 4.350 0.020 0.000 0.192 21 E C 1.766 178.322 176.600 -0.073 0.000 0.991 21 E CA 1.173 57.546 56.400 -0.045 0.000 0.799 21 E CB -0.122 29.572 29.700 -0.010 0.000 0.748 21 E HN 0.410 nan 8.360 nan 0.000 0.449 22 N N 0.599 119.253 118.700 -0.078 0.000 2.223 22 N HA -0.120 4.632 4.740 0.020 0.000 0.185 22 N C 1.662 177.078 175.510 -0.156 0.000 1.016 22 N CA 1.349 54.349 53.050 -0.084 0.000 0.863 22 N CB 0.066 38.539 38.487 -0.024 0.000 0.983 22 N HN 0.174 nan 8.380 nan 0.000 0.429 23 V N -1.752 117.997 119.914 -0.276 0.000 3.271 23 V HA 0.260 4.392 4.120 0.020 0.000 0.327 23 V C 1.761 177.727 176.094 -0.213 0.000 1.389 23 V CA -0.144 61.979 62.300 -0.296 0.000 1.156 23 V CB 0.409 31.922 31.823 -0.517 0.000 1.103 23 V HN -0.146 nan 8.190 nan 0.000 0.453 24 Q N 3.372 123.078 119.800 -0.156 0.000 2.112 24 Q HA -0.266 4.086 4.340 0.020 0.000 0.206 24 Q C 1.854 177.797 176.000 -0.095 0.000 0.987 24 Q CA 2.757 58.494 55.803 -0.109 0.000 0.858 24 Q CB -0.512 28.179 28.738 -0.077 0.000 0.905 24 Q HN 0.897 nan 8.270 nan 0.000 0.420 25 D N -1.019 119.326 120.400 -0.091 0.000 2.311 25 D HA -0.134 4.519 4.640 0.020 0.000 0.212 25 D C 1.433 177.682 176.300 -0.085 0.000 0.972 25 D CA 1.555 55.508 54.000 -0.078 0.000 0.887 25 D CB -0.191 40.567 40.800 -0.070 0.000 0.915 25 D HN 0.396 nan 8.370 nan 0.000 0.497 26 V N -2.764 117.087 119.914 -0.105 0.000 3.643 26 V HA 0.188 4.320 4.120 0.020 0.000 0.280 26 V C 2.373 178.404 176.094 -0.105 0.000 1.351 26 V CA -0.245 61.992 62.300 -0.105 0.000 1.073 26 V CB -0.439 31.310 31.823 -0.122 0.000 0.863 26 V HN 0.014 nan 8.190 nan 0.000 0.436 27 L N 0.248 121.409 121.223 -0.105 0.000 2.083 27 L HA -0.013 4.339 4.340 0.020 0.000 0.209 27 L C 0.106 176.917 176.870 -0.098 0.000 1.083 27 L CA 1.793 56.572 54.840 -0.101 0.000 0.752 27 L CB -1.854 40.153 42.059 -0.087 0.000 0.899 27 L HN 0.356 nan 8.230 nan 0.000 0.433 28 P HA -0.175 nan 4.420 nan 0.000 0.216 28 P C 1.263 178.517 177.300 -0.075 0.000 1.150 28 P CA 1.611 64.669 63.100 -0.069 0.000 0.837 28 P CB 0.018 31.684 31.700 -0.057 0.000 0.786 29 A N -1.637 121.134 122.820 -0.082 0.000 2.235 29 A HA 0.034 4.366 4.320 0.020 0.000 0.208 29 A C 0.851 178.377 177.584 -0.097 0.000 1.172 29 A CA 0.501 52.488 52.037 -0.083 0.000 0.786 29 A CB -0.987 17.962 19.000 -0.084 0.000 0.804 29 A HN 0.142 nan 8.150 nan 0.000 0.479 30 L N -0.804 120.343 121.223 -0.126 0.000 2.322 30 L HA 0.290 4.643 4.340 0.020 0.000 0.279 30 L C -1.499 175.265 176.870 -0.177 0.000 1.036 30 L CA -2.107 52.625 54.840 -0.180 0.000 0.807 30 L CB 1.401 43.276 42.059 -0.307 0.000 1.226 30 L HN 0.002 nan 8.230 nan 0.000 0.433 31 P HA -0.160 nan 4.420 nan 0.000 0.214 31 P C -0.038 177.188 177.300 -0.123 0.000 1.163 31 P CA 1.388 64.425 63.100 -0.105 0.000 0.889 31 P CB 0.172 31.835 31.700 -0.060 0.000 0.790 32 N N -2.674 115.901 118.700 -0.208 0.000 2.751 32 N HA 0.172 4.925 4.740 0.020 0.000 0.238 32 N C -2.894 172.463 175.510 -0.253 0.000 1.351 32 N CA -1.636 51.323 53.050 -0.151 0.000 0.751 32 N CB 0.175 38.634 38.487 -0.046 0.000 1.342 32 N HN -0.183 nan 8.380 nan 0.000 0.540 33 P HA 0.117 nan 4.420 nan 0.000 0.237 33 P C -0.581 176.784 177.300 0.108 0.000 1.723 33 P CA -0.089 62.894 63.100 -0.194 0.000 0.882 33 P CB -0.450 31.162 31.700 -0.147 0.000 1.810 34 D N -1.378 119.129 120.400 0.178 0.000 2.380 34 D HA -0.015 4.637 4.640 0.020 0.000 0.254 34 D C 0.827 177.278 176.300 0.251 0.000 1.288 34 D CA -0.241 53.886 54.000 0.212 0.000 1.008 34 D CB 0.252 41.214 40.800 0.270 0.000 1.099 34 D HN -0.138 nan 8.370 nan 0.000 0.537 35 D N -1.226 119.241 120.400 0.111 0.000 2.144 35 D HA -0.153 4.499 4.640 0.020 0.000 0.199 35 D C 1.904 178.205 176.300 0.003 0.000 0.984 35 D CA 1.186 55.192 54.000 0.010 0.000 0.834 35 D CB -0.439 40.269 40.800 -0.154 0.000 0.955 35 D HN 0.453 nan 8.370 nan 0.000 0.465 36 Y N -0.216 120.173 120.300 0.149 0.000 2.145 36 Y HA -0.160 4.399 4.550 0.016 0.000 0.286 36 Y C 2.253 178.228 175.900 0.125 0.000 1.145 36 Y CA 0.730 58.897 58.100 0.112 0.000 1.148 36 Y CB -0.700 37.821 38.460 0.102 0.000 0.981 36 Y HN -0.061 nan 8.280 nan 0.000 0.507 37 F N 0.588 120.690 119.950 0.254 0.000 2.069 37 F HA -0.254 4.283 4.527 0.017 0.000 0.298 37 F C 1.964 177.948 175.800 0.306 0.000 1.113 37 F CA 1.607 59.745 58.000 0.229 0.000 1.214 37 F CB -0.635 38.513 39.000 0.247 0.000 0.978 37 F HN -0.075 nan 8.300 nan 0.000 0.474 38 L N -0.161 121.285 121.223 0.371 0.000 2.083 38 L HA -0.235 4.117 4.340 0.020 0.000 0.209 38 L C 2.477 179.459 176.870 0.187 0.000 1.083 38 L CA 1.113 56.201 54.840 0.413 0.000 0.752 38 L CB -0.810 41.520 42.059 0.453 0.000 0.899 38 L HN 0.255 nan 8.230 nan 0.000 0.433 39 L N -0.677 120.567 121.223 0.034 0.000 2.275 39 L HA -0.152 4.200 4.340 0.020 0.000 0.215 39 L C 2.783 179.489 176.870 -0.273 0.000 1.119 39 L CA 0.801 55.564 54.840 -0.128 0.000 0.790 39 L CB -0.396 41.641 42.059 -0.037 0.000 0.919 39 L HN 0.236 nan 8.230 nan 0.000 0.443 40 R N -0.772 119.522 120.500 -0.342 0.000 2.075 40 R HA -0.173 4.179 4.340 0.020 0.000 0.232 40 R C 2.091 177.971 176.300 -0.700 0.000 1.126 40 R CA 1.858 57.622 56.100 -0.559 0.000 0.963 40 R CB -0.346 29.496 30.300 -0.764 0.000 0.858 40 R HN 0.384 nan 8.270 nan 0.000 0.435 41 W N 0.893 121.949 121.300 -0.408 0.000 2.381 41 W HA -0.028 4.644 4.660 0.021 0.000 0.301 41 W C 1.981 178.185 176.519 -0.526 0.000 1.205 41 W CA 0.327 57.431 57.345 -0.402 0.000 1.285 41 W CB -0.471 28.825 29.460 -0.273 0.000 1.133 41 W HN -0.013 nan 8.180 nan 0.000 0.521 42 L N 0.098 120.995 121.223 -0.543 0.000 2.056 42 L HA -0.149 4.204 4.340 0.020 0.000 0.207 42 L C 2.683 179.017 176.870 -0.893 0.000 1.078 42 L CA 1.363 55.646 54.840 -0.929 0.000 0.749 42 L CB -0.722 40.543 42.059 -1.323 0.000 0.901 42 L HN -0.051 nan 8.230 nan 0.000 0.433 43 R N -0.142 119.947 120.500 -0.684 0.000 2.096 43 R HA -0.111 4.241 4.340 0.020 0.000 0.235 43 R C 2.321 178.471 176.300 -0.250 0.000 1.127 43 R CA 1.250 57.136 56.100 -0.357 0.000 0.968 43 R CB -0.443 29.740 30.300 -0.196 0.000 0.861 43 R HN 0.334 nan 8.270 nan 0.000 0.440 44 A N 0.781 123.424 122.820 -0.295 0.000 2.131 44 A HA -0.105 4.227 4.320 0.020 0.000 0.220 44 A C 1.397 178.880 177.584 -0.169 0.000 1.158 44 A CA 1.177 53.074 52.037 -0.234 0.000 0.665 44 A CB 0.048 18.875 19.000 -0.289 0.000 0.795 44 A HN 0.094 nan 8.150 nan 0.000 0.460 45 R N -1.050 119.338 120.500 -0.187 0.000 2.659 45 R HA 0.246 4.598 4.340 0.020 0.000 0.418 45 R C 0.045 176.286 176.300 -0.099 0.000 1.076 45 R CA 0.467 56.489 56.100 -0.131 0.000 1.093 45 R CB -0.473 29.749 30.300 -0.129 0.000 1.400 45 R HN 0.348 nan 8.270 nan 0.000 0.583 46 S N 0.988 116.648 115.700 -0.066 0.000 3.549 46 S HA -0.203 4.279 4.470 0.020 0.000 0.366 46 S C 0.044 174.757 174.600 0.189 0.000 1.012 46 S CA 0.854 59.102 58.200 0.079 0.000 1.141 46 S CB -1.601 61.628 63.200 0.048 0.000 0.910 46 S HN 0.572 nan 8.310 nan 0.000 0.471 47 F N -1.007 118.865 119.950 -0.130 0.000 3.084 47 F HA -0.205 4.332 4.527 0.017 0.000 0.286 47 F C 0.709 176.434 175.800 -0.125 0.000 0.855 47 F CA 1.041 58.953 58.000 -0.146 0.000 1.091 47 F CB -1.192 37.743 39.000 -0.108 0.000 1.177 47 F HN 0.531 nan 8.300 nan 0.000 0.542 48 D N 1.573 121.955 120.400 -0.031 0.000 2.352 48 D HA 0.186 4.839 4.640 0.020 0.000 0.245 48 D C 1.232 177.488 176.300 -0.072 0.000 1.224 48 D CA -0.087 53.898 54.000 -0.024 0.000 0.879 48 D CB 0.557 41.341 40.800 -0.027 0.000 1.057 48 D HN 0.306 nan 8.370 nan 0.000 0.491 49 L N 3.075 124.278 121.223 -0.032 0.000 2.043 49 L HA -0.245 4.107 4.340 0.020 0.000 0.212 49 L C 2.532 179.424 176.870 0.038 0.000 1.075 49 L CA 1.333 56.169 54.840 -0.008 0.000 0.752 49 L CB -0.269 41.831 42.059 0.070 0.000 0.891 49 L HN 0.533 nan 8.230 nan 0.000 0.432 50 Q N 0.087 119.903 119.800 0.027 0.000 2.046 50 Q HA -0.209 4.144 4.340 0.020 0.000 0.200 50 Q C 2.234 178.245 176.000 0.018 0.000 0.975 50 Q CA 1.504 57.325 55.803 0.031 0.000 0.836 50 Q CB 0.158 28.906 28.738 0.017 0.000 0.896 50 Q HN 0.399 nan 8.270 nan 0.000 0.428 51 K N -0.481 119.914 120.400 -0.009 0.000 2.097 51 K HA -0.045 4.287 4.320 0.020 0.000 0.205 51 K C 2.226 178.814 176.600 -0.019 0.000 1.050 51 K CA 1.344 57.620 56.287 -0.018 0.000 0.938 51 K CB 0.039 32.518 32.500 -0.034 0.000 0.718 51 K HN 0.047 nan 8.250 nan 0.000 0.442 52 S N 1.206 116.868 115.700 -0.064 0.000 2.382 52 S HA -0.183 4.299 4.470 0.020 0.000 0.228 52 S C 1.924 176.600 174.600 0.126 0.000 1.027 52 S CA 1.223 59.364 58.200 -0.098 0.000 0.991 52 S CB -0.106 62.795 63.200 -0.498 0.000 0.823 52 S HN 0.364 nan 8.310 nan 0.000 0.469 53 E N 1.339 121.681 120.200 0.237 0.000 2.047 53 E HA -0.004 4.358 4.350 0.020 0.000 0.191 53 E C 1.044 177.675 176.600 0.052 0.000 0.987 53 E CA 0.632 57.182 56.400 0.250 0.000 0.799 53 E CB -0.136 29.672 29.700 0.179 0.000 0.752 53 E HN 0.486 nan 8.360 nan 0.000 0.449 57 R N 0.472 120.849 120.500 -0.204 0.000 2.092 57 R HA -0.097 4.256 4.340 0.020 0.000 0.231 57 R C 1.894 178.135 176.300 -0.098 0.000 1.119 57 R CA 1.733 57.751 56.100 -0.138 0.000 0.970 57 R CB -0.174 30.070 30.300 -0.095 0.000 0.864 57 R HN 0.314 nan 8.270 nan 0.000 0.440 58 K N -0.059 120.296 120.400 -0.074 0.000 2.148 58 K HA -0.218 4.114 4.320 0.020 0.000 0.204 58 K C 2.005 178.614 176.600 0.015 0.000 1.050 58 K CA 1.552 57.824 56.287 -0.024 0.000 0.942 58 K CB -0.084 32.407 32.500 -0.014 0.000 0.724 58 K HN 0.171 nan 8.250 nan 0.000 0.446 59 H N 0.176 119.157 119.070 -0.148 0.000 2.357 59 H HA -0.051 4.517 4.556 0.021 0.000 0.301 59 H C 1.688 177.019 175.328 0.005 0.000 1.082 59 H CA 1.786 57.773 56.048 -0.102 0.000 1.342 59 H CB -0.212 29.368 29.762 -0.303 0.000 1.389 59 H HN -0.018 nan 8.280 nan 0.000 0.511 60 V N 0.673 120.468 119.914 -0.199 0.000 2.332 60 V HA -0.219 3.913 4.120 0.020 0.000 0.248 60 V C 2.471 178.479 176.094 -0.145 0.000 1.055 60 V CA 2.194 64.369 62.300 -0.209 0.000 1.038 60 V CB -0.538 31.195 31.823 -0.150 0.000 0.651 60 V HN 0.432 nan 8.190 nan 0.000 0.450 61 E N 0.190 120.341 120.200 -0.080 0.000 2.106 61 E HA -0.236 4.127 4.350 0.020 0.000 0.192 61 E C 1.899 178.479 176.600 -0.034 0.000 0.984 61 E CA 1.522 57.891 56.400 -0.052 0.000 0.806 61 E CB -0.483 29.203 29.700 -0.023 0.000 0.750 61 E HN 0.569 nan 8.360 nan 0.000 0.458 62 F N 1.017 120.880 119.950 -0.145 0.000 2.134 62 F HA -0.095 4.444 4.527 0.020 0.000 0.299 62 F C 2.091 177.799 175.800 -0.153 0.000 1.097 62 F CA 1.651 59.579 58.000 -0.120 0.000 1.264 62 F CB -0.074 38.883 39.000 -0.072 0.000 1.001 62 F HN -0.075 nan 8.300 nan 0.000 0.479 63 R N 0.412 120.793 120.500 -0.199 0.000 2.081 63 R HA -0.184 4.168 4.340 0.020 0.000 0.235 63 R C 2.364 178.507 176.300 -0.262 0.000 1.131 63 R CA 1.756 57.694 56.100 -0.269 0.000 0.960 63 R CB -0.477 29.682 30.300 -0.235 0.000 0.856 63 R HN 0.324 nan 8.270 nan 0.000 0.436 64 K N 1.256 121.533 120.400 -0.205 0.000 2.001 64 K HA -0.189 4.143 4.320 0.020 0.000 0.208 64 K C 2.004 178.491 176.600 -0.189 0.000 1.048 64 K CA 1.561 57.749 56.287 -0.164 0.000 0.932 64 K CB 0.056 32.483 32.500 -0.122 0.000 0.715 64 K HN 0.172 nan 8.250 nan 0.000 0.437 65 Q N -0.269 119.405 119.800 -0.210 0.000 2.291 65 Q HA -0.072 4.280 4.340 0.020 0.000 0.205 65 Q C 1.144 176.973 176.000 -0.285 0.000 0.970 65 Q CA 0.903 56.581 55.803 -0.208 0.000 0.876 65 Q CB 0.282 28.922 28.738 -0.162 0.000 0.935 65 Q HN 0.133 nan 8.270 nan 0.000 0.455 66 K N 0.352 120.491 120.400 -0.434 0.000 2.358 66 K HA 0.020 4.352 4.320 0.020 0.000 0.200 66 K C -0.292 176.106 176.600 -0.337 0.000 1.030 66 K CA 0.143 56.151 56.287 -0.466 0.000 1.097 66 K CB 0.472 32.490 32.500 -0.803 0.000 0.862 66 K HN 0.065 nan 8.250 nan 0.000 0.534 67 D N 1.306 121.549 120.400 -0.261 0.000 2.697 67 D HA -0.179 4.473 4.640 0.020 0.000 0.238 67 D C 0.734 176.951 176.300 -0.139 0.000 1.152 67 D CA 0.104 54.001 54.000 -0.172 0.000 0.666 67 D CB -0.728 39.983 40.800 -0.147 0.000 1.037 67 D HN 0.038 nan 8.370 nan 0.000 0.423 68 I N 0.447 120.931 120.570 -0.144 0.000 2.361 68 I HA -0.192 3.991 4.170 0.020 0.000 0.251 68 I C 1.953 178.076 176.117 0.010 0.000 1.133 68 I CA 1.174 62.448 61.300 -0.044 0.000 1.413 68 I CB -0.716 37.291 38.000 0.012 0.000 1.073 68 I HN 0.291 nan 8.210 nan 0.000 0.424 69 D N 1.001 121.392 120.400 -0.014 0.000 2.221 69 D HA -0.181 4.471 4.640 0.020 0.000 0.204 69 D C 1.244 177.559 176.300 0.025 0.000 0.982 69 D CA 1.197 55.201 54.000 0.007 0.000 0.857 69 D CB -0.237 40.554 40.800 -0.014 0.000 0.934 69 D HN 0.482 nan 8.370 nan 0.000 0.475 70 N N -0.489 118.223 118.700 0.021 0.000 2.177 70 N HA 0.191 4.944 4.740 0.020 0.000 0.218 70 N C 1.422 176.988 175.510 0.093 0.000 1.182 70 N CA -0.181 52.900 53.050 0.051 0.000 0.882 70 N CB 0.999 39.509 38.487 0.038 0.000 1.052 70 N HN 0.041 nan 8.380 nan 0.000 0.519 71 I N 0.689 121.308 120.570 0.081 0.000 2.361 71 I HA -0.180 4.002 4.170 0.020 0.000 0.251 71 I C 1.469 177.728 176.117 0.236 0.000 1.133 71 I CA 1.208 62.590 61.300 0.138 0.000 1.413 71 I CB 0.168 38.215 38.000 0.079 0.000 1.073 71 I HN 0.176 nan 8.210 nan 0.000 0.424 72 I N 0.427 121.100 120.570 0.172 0.000 2.454 72 I HA -0.262 3.920 4.170 0.020 0.000 0.254 72 I C 2.462 178.671 176.117 0.154 0.000 1.156 72 I CA 1.524 62.920 61.300 0.160 0.000 1.433 72 I CB -0.241 37.832 38.000 0.123 0.000 1.082 72 I HN 0.371 nan 8.210 nan 0.000 0.432 73 S N -0.865 114.927 115.700 0.154 0.000 2.527 73 S HA -0.139 4.343 4.470 0.020 0.000 0.222 73 S C 0.424 175.121 174.600 0.161 0.000 0.985 73 S CA -0.451 57.826 58.200 0.127 0.000 0.921 73 S CB -0.449 62.814 63.200 0.105 0.000 0.772 73 S HN 0.459 nan 8.310 nan 0.000 0.529 74 W N 3.771 125.087 121.300 0.027 0.000 2.266 74 W HA 0.409 5.081 4.660 0.019 0.000 0.317 74 W C -0.540 175.996 176.519 0.028 0.000 1.310 74 W CA -0.489 56.870 57.345 0.025 0.000 1.207 74 W CB 0.484 29.958 29.460 0.022 0.000 1.199 74 W HN 0.065 nan 8.180 nan 0.000 0.544 75 Q N 7.559 126.968 119.800 -0.652 0.000 2.303 75 Q HA 0.314 4.667 4.340 0.020 0.000 0.257 75 Q C -2.039 173.229 176.000 -1.219 0.000 0.941 75 Q CA -2.091 53.313 55.803 -0.665 0.000 0.931 75 Q CB 1.006 29.532 28.738 -0.353 0.000 1.215 75 Q HN 0.322 nan 8.270 nan 0.000 0.437 76 P HA 0.161 nan 4.420 nan 0.000 0.272 76 P C -2.367 174.677 177.300 -0.427 0.000 1.230 76 P CA -1.123 61.439 63.100 -0.897 0.000 0.788 76 P CB -0.137 31.350 31.700 -0.354 0.000 0.949 77 P HA -0.067 nan 4.420 nan 0.000 0.266 77 P C 0.993 178.263 177.300 -0.051 0.000 1.193 77 P CA 0.284 63.344 63.100 -0.068 0.000 0.770 77 P CB 0.358 32.080 31.700 0.036 0.000 0.836 78 E N 2.150 122.348 120.200 -0.003 0.000 2.070 78 E HA -0.228 4.134 4.350 0.020 0.000 0.197 78 E C 1.594 178.181 176.600 -0.021 0.000 1.004 78 E CA 1.405 57.814 56.400 0.015 0.000 0.805 78 E CB -0.229 29.539 29.700 0.113 0.000 0.744 78 E HN 0.181 nan 8.360 nan 0.000 0.451 79 V N 0.783 120.686 119.914 -0.018 0.000 2.490 79 V HA -0.223 3.909 4.120 0.020 0.000 0.250 79 V C 2.121 178.194 176.094 -0.034 0.000 1.061 79 V CA 1.618 63.814 62.300 -0.174 0.000 1.064 79 V CB -0.254 31.449 31.823 -0.200 0.000 0.670 79 V HN 0.330 nan 8.190 nan 0.000 0.461 80 I N -0.626 119.933 120.570 -0.017 0.000 2.286 80 I HA -0.243 3.939 4.170 0.020 0.000 0.245 80 I C 2.626 178.718 176.117 -0.042 0.000 1.104 80 I CA 1.600 62.899 61.300 -0.003 0.000 1.397 80 I CB -0.383 37.628 38.000 0.019 0.000 1.072 80 I HN 0.347 nan 8.210 nan 0.000 0.417 81 Q N 0.204 119.958 119.800 -0.077 0.000 2.124 81 Q HA -0.225 4.127 4.340 0.020 0.000 0.202 81 Q C 2.264 178.166 176.000 -0.163 0.000 0.977 81 Q CA 1.188 56.931 55.803 -0.100 0.000 0.850 81 Q CB -0.026 28.651 28.738 -0.102 0.000 0.901 81 Q HN 0.504 nan 8.270 nan 0.000 0.429 82 Q N -0.795 118.852 119.800 -0.256 0.000 2.137 82 Q HA -0.093 4.260 4.340 0.020 0.000 0.198 82 Q C 1.107 176.681 176.000 -0.711 0.000 0.960 82 Q CA 1.352 56.835 55.803 -0.533 0.000 0.847 82 Q CB 0.153 28.420 28.738 -0.785 0.000 0.915 82 Q HN 0.537 nan 8.270 nan 0.000 0.448 83 Y N -0.810 119.421 120.300 -0.115 0.000 2.445 83 Y HA 0.200 4.762 4.550 0.021 0.000 0.247 83 Y C 0.430 176.283 175.900 -0.077 0.000 1.129 83 Y CA -0.790 57.253 58.100 -0.095 0.000 1.251 83 Y CB 0.573 38.961 38.460 -0.119 0.000 1.176 83 Y HN -0.029 nan 8.280 nan 0.000 0.522 84 L N 2.471 123.708 121.223 0.024 0.000 2.385 84 L HA 0.244 4.596 4.340 0.020 0.000 0.281 84 L C 0.691 177.539 176.870 -0.036 0.000 1.106 84 L CA -0.560 54.282 54.840 0.003 0.000 0.856 84 L CB -0.174 41.889 42.059 0.006 0.000 1.186 84 L HN 0.170 nan 8.230 nan 0.000 0.453 85 S N 3.662 119.329 115.700 -0.055 0.000 2.589 85 S HA 0.828 5.310 4.470 0.020 0.000 0.265 85 S C 0.399 174.897 174.600 -0.169 0.000 1.342 85 S CA -0.020 58.100 58.200 -0.133 0.000 1.005 85 S CB 0.957 64.077 63.200 -0.133 0.000 0.909 85 S HN 1.710 nan 8.310 nan 0.000 0.555 86 G N -0.713 107.884 108.800 -0.339 0.000 2.479 86 G HA2 0.501 4.473 3.960 0.020 0.000 0.686 86 G HA3 0.501 4.473 3.960 0.020 0.000 0.686 86 G C -0.255 174.205 174.900 -0.732 0.000 1.295 86 G CA -0.310 44.490 45.100 -0.501 0.000 0.922 86 G HN 2.272 nan 8.290 nan 0.000 0.582 90 G N 4.528 113.182 108.800 -0.243 0.000 2.795 90 G HA2 0.023 3.996 3.960 0.020 0.000 0.664 90 G HA3 0.023 3.996 3.960 0.020 0.000 0.664 90 G C -1.464 173.156 174.900 -0.467 0.000 1.381 90 G CA -0.042 44.908 45.100 -0.250 0.000 0.853 90 G HN 1.417 nan 8.290 nan 0.000 0.545 91 Y N 0.488 120.853 120.300 0.108 0.000 2.512 91 Y HA 0.540 5.107 4.550 0.030 0.000 0.348 91 Y C 0.507 176.469 175.900 0.104 0.000 0.990 91 Y CA -0.321 57.841 58.100 0.102 0.000 1.033 91 Y CB 1.850 40.361 38.460 0.085 0.000 1.259 91 Y HN 0.924 nan 8.280 nan 0.000 0.461 92 D N 0.429 120.981 120.400 0.254 0.000 2.433 92 D HA 0.091 4.743 4.640 0.020 0.000 0.255 92 D C 0.846 177.254 176.300 0.180 0.000 1.226 92 D CA -0.397 53.725 54.000 0.204 0.000 1.015 92 D CB 0.666 41.586 40.800 0.199 0.000 1.091 92 D HN 0.584 nan 8.370 nan 0.000 0.527 93 L N -0.676 120.639 121.223 0.153 0.000 2.351 93 L HA -0.137 4.216 4.340 0.020 0.000 0.220 93 L C 1.138 178.064 176.870 0.094 0.000 1.127 93 L CA 1.277 56.184 54.840 0.111 0.000 0.786 93 L CB -0.407 41.706 42.059 0.089 0.000 0.914 93 L HN 0.403 nan 8.230 nan 0.000 0.443 94 D N -0.624 119.839 120.400 0.106 0.000 2.339 94 D HA 0.087 4.739 4.640 0.020 0.000 0.217 94 D C 1.635 177.979 176.300 0.072 0.000 1.050 94 D CA 1.009 55.058 54.000 0.081 0.000 0.856 94 D CB 0.891 41.741 40.800 0.083 0.000 0.922 94 D HN 0.383 nan 8.370 nan 0.000 0.518 95 G N 0.602 109.461 108.800 0.099 0.000 2.176 95 G HA2 -0.272 3.700 3.960 0.020 0.000 0.232 95 G HA3 -0.272 3.700 3.960 0.020 0.000 0.232 95 G C 0.526 175.517 174.900 0.152 0.000 0.986 95 G CA -0.012 45.132 45.100 0.073 0.000 0.643 95 G HN 0.361 nan 8.290 nan 0.000 0.522 96 C N 2.285 121.693 119.300 0.179 0.000 2.593 96 C HA 0.512 4.984 4.460 0.020 0.000 0.409 96 C C -1.238 173.924 174.990 0.286 0.000 1.304 96 C CA -1.103 58.033 59.018 0.196 0.000 2.007 96 C CB 0.787 28.606 27.740 0.132 0.000 2.614 96 C HN 0.362 nan 8.230 nan 0.000 0.585 97 P HA 0.183 nan 4.420 nan 0.000 0.269 97 P C -0.741 176.633 177.300 0.124 0.000 1.209 97 P CA 0.141 63.365 63.100 0.206 0.000 0.776 97 P CB 0.390 32.212 31.700 0.203 0.000 0.876 98 V N 4.153 124.099 119.914 0.053 0.000 2.435 98 V HA 0.371 4.503 4.120 0.020 0.000 0.290 98 V C -0.563 175.600 176.094 0.116 0.000 1.030 98 V CA -0.506 61.829 62.300 0.059 0.000 0.881 98 V CB 1.478 33.317 31.823 0.027 0.000 0.983 98 V HN 0.621 nan 8.190 nan 0.000 0.445 99 W N 5.756 126.996 121.300 -0.101 0.000 2.587 99 W HA 0.564 5.235 4.660 0.018 0.000 0.324 99 W C -2.018 174.387 176.519 -0.190 0.000 1.040 99 W CA -0.803 56.502 57.345 -0.067 0.000 1.222 99 W CB 1.716 31.140 29.460 -0.060 0.000 1.381 99 W HN 0.481 nan 8.180 nan 0.000 0.483 100 Y N 4.364 124.103 120.300 -0.934 0.000 2.328 100 Y HA 0.209 4.771 4.550 0.020 0.000 0.337 100 Y C 0.315 175.719 175.900 -0.826 0.000 1.008 100 Y CA -0.113 57.541 58.100 -0.744 0.000 1.129 100 Y CB 1.045 39.073 38.460 -0.720 0.000 1.185 100 Y HN 0.182 nan 8.280 nan 0.000 0.476 101 D N 4.388 124.572 120.400 -0.359 0.000 2.303 101 D HA 0.351 5.003 4.640 0.020 0.000 0.236 101 D C -0.656 175.383 176.300 -0.435 0.000 1.068 101 D CA -0.168 53.620 54.000 -0.354 0.000 0.830 101 D CB 1.755 42.252 40.800 -0.505 0.000 1.109 101 D HN 0.314 nan 8.370 nan 0.000 0.496 102 I N 4.702 125.062 120.570 -0.350 0.000 2.412 102 I HA 0.114 4.297 4.170 0.020 0.000 0.279 102 I C 1.389 177.371 176.117 -0.225 0.000 1.063 102 I CA -0.456 60.694 61.300 -0.250 0.000 1.193 102 I CB 0.899 38.757 38.000 -0.237 0.000 1.370 102 I HN 0.254 nan 8.210 nan 0.000 0.479 103 I N 3.598 124.002 120.570 -0.276 0.000 2.233 103 I HA -0.057 4.125 4.170 0.020 0.000 0.243 103 I C 2.576 178.578 176.117 -0.191 0.000 1.093 103 I CA 1.287 62.424 61.300 -0.272 0.000 1.380 103 I CB -1.358 36.449 38.000 -0.322 0.000 1.067 103 I HN 0.541 nan 8.210 nan 0.000 0.413 104 G N 3.431 112.154 108.800 -0.129 0.000 2.599 104 G HA2 -0.234 3.738 3.960 0.020 0.000 0.219 104 G HA3 -0.234 3.738 3.960 0.020 0.000 0.219 104 G C -0.587 174.412 174.900 0.165 0.000 1.193 104 G CA 1.160 46.278 45.100 0.029 0.000 0.778 104 G HN 0.381 nan 8.290 nan 0.000 0.589 105 P HA 0.191 nan 4.420 nan 0.000 0.253 105 P C 0.275 177.623 177.300 0.080 0.000 1.260 105 P CA -0.295 62.862 63.100 0.095 0.000 0.800 105 P CB 0.012 31.771 31.700 0.098 0.000 1.162 106 L N 1.660 122.940 121.223 0.096 0.000 2.410 106 L HA 0.213 4.565 4.340 0.020 0.000 0.273 106 L C 0.128 177.016 176.870 0.030 0.000 1.144 106 L CA 0.429 55.301 54.840 0.054 0.000 0.863 106 L CB -0.083 41.993 42.059 0.028 0.000 1.140 106 L HN -0.242 nan 8.230 nan 0.000 0.463 107 D N 4.048 124.432 120.400 -0.027 0.000 2.505 107 D HA 0.345 4.997 4.640 0.020 0.000 0.242 107 D C 0.933 177.152 176.300 -0.134 0.000 1.136 107 D CA 0.315 54.254 54.000 -0.103 0.000 0.954 107 D CB 1.079 41.810 40.800 -0.115 0.000 1.002 107 D HN 0.672 nan 8.370 nan 0.000 0.512 108 A N 3.928 126.685 122.820 -0.106 0.000 1.917 108 A HA -0.226 4.106 4.320 0.020 0.000 0.219 108 A C 2.059 179.536 177.584 -0.180 0.000 1.182 108 A CA 1.335 53.340 52.037 -0.053 0.000 0.633 108 A CB -0.240 18.820 19.000 0.099 0.000 0.819 108 A HN 0.506 nan 8.150 nan 0.000 0.448 109 K N -1.039 119.074 120.400 -0.479 0.000 2.057 109 K HA -0.113 4.220 4.320 0.020 0.000 0.207 109 K C 2.180 178.100 176.600 -1.134 0.000 1.049 109 K CA 1.121 56.724 56.287 -1.140 0.000 0.931 109 K CB -0.505 31.223 32.500 -1.288 0.000 0.714 109 K HN 0.486 nan 8.250 nan 0.000 0.440 110 G N 1.445 109.911 108.800 -0.556 0.000 2.440 110 G HA2 -0.240 3.732 3.960 0.020 0.000 0.218 110 G HA3 -0.240 3.732 3.960 0.020 0.000 0.218 110 G C 1.501 176.231 174.900 -0.283 0.000 1.154 110 G CA 0.683 45.591 45.100 -0.321 0.000 0.767 110 G HN 0.095 nan 8.290 nan 0.000 0.552 111 L N -0.190 120.906 121.223 -0.213 0.000 2.017 111 L HA 0.023 4.376 4.340 0.020 0.000 0.208 111 L C 2.869 179.686 176.870 -0.087 0.000 1.073 111 L CA 0.631 55.408 54.840 -0.104 0.000 0.745 111 L CB -0.392 41.634 42.059 -0.055 0.000 0.894 111 L HN 0.158 nan 8.230 nan 0.000 0.432 112 L N -1.329 119.812 121.223 -0.135 0.000 2.275 112 L HA -0.176 4.176 4.340 0.020 0.000 0.215 112 L C 2.027 178.962 176.870 0.108 0.000 1.119 112 L CA 0.725 55.554 54.840 -0.019 0.000 0.790 112 L CB -0.272 41.813 42.059 0.043 0.000 0.919 112 L HN 0.212 nan 8.230 nan 0.000 0.443 113 F N -1.453 118.378 119.950 -0.199 0.000 2.754 113 F HA 0.068 4.608 4.527 0.021 0.000 0.297 113 F C 2.141 177.782 175.800 -0.265 0.000 1.122 113 F CA 0.047 57.839 58.000 -0.347 0.000 1.400 113 F CB -0.447 38.033 39.000 -0.867 0.000 1.117 113 F HN -0.069 nan 8.300 nan 0.000 0.587 114 S N -1.091 114.622 115.700 0.020 0.000 2.578 114 S HA 0.633 5.115 4.470 0.020 0.000 0.228 114 S C 0.648 175.320 174.600 0.119 0.000 1.022 114 S CA 0.233 58.502 58.200 0.115 0.000 0.967 114 S CB 0.543 63.841 63.200 0.163 0.000 0.914 114 S HN 0.142 nan 8.310 nan 0.000 0.515 115 A N 1.575 124.449 122.820 0.090 0.000 2.609 115 A HA 0.749 5.081 4.320 0.020 0.000 0.291 115 A C -0.271 177.368 177.584 0.093 0.000 1.096 115 A CA -0.673 51.422 52.037 0.098 0.000 0.684 115 A CB 0.791 19.846 19.000 0.092 0.000 1.282 115 A HN 0.275 nan 8.150 nan 0.000 0.412 116 S N 0.060 115.819 115.700 0.099 0.000 2.592 116 S HA 0.284 4.766 4.470 0.020 0.000 0.271 116 S C 0.849 175.496 174.600 0.078 0.000 1.326 116 S CA 0.307 58.558 58.200 0.085 0.000 1.024 116 S CB 1.154 64.403 63.200 0.082 0.000 0.921 116 S HN 0.895 nan 8.310 nan 0.000 0.527 117 K N 0.706 121.142 120.400 0.060 0.000 2.211 117 K HA -0.156 4.177 4.320 0.020 0.000 0.203 117 K C 2.238 178.871 176.600 0.055 0.000 1.050 117 K CA 1.282 57.599 56.287 0.050 0.000 0.945 117 K CB -0.219 32.298 32.500 0.029 0.000 0.732 117 K HN 0.822 nan 8.250 nan 0.000 0.451 118 Q N 0.374 120.204 119.800 0.049 0.000 2.079 118 Q HA -0.180 4.173 4.340 0.020 0.000 0.200 118 Q C 0.986 177.013 176.000 0.045 0.000 0.974 118 Q CA 1.850 57.672 55.803 0.032 0.000 0.840 118 Q CB 0.112 28.857 28.738 0.011 0.000 0.898 118 Q HN 0.334 nan 8.270 nan 0.000 0.430 119 D N 0.258 120.723 120.400 0.108 0.000 2.224 119 D HA -0.080 4.572 4.640 0.020 0.000 0.205 119 D C 1.916 178.355 176.300 0.231 0.000 0.965 119 D CA 0.631 54.769 54.000 0.230 0.000 0.852 119 D CB 0.020 41.008 40.800 0.313 0.000 0.947 119 D HN 0.296 nan 8.370 nan 0.000 0.494 120 L N 0.075 121.383 121.223 0.141 0.000 2.027 120 L HA -0.094 4.259 4.340 0.020 0.000 0.206 120 L C 2.455 179.383 176.870 0.097 0.000 1.074 120 L CA 0.662 55.566 54.840 0.108 0.000 0.745 120 L CB -0.247 41.854 42.059 0.069 0.000 0.898 120 L HN 0.022 nan 8.230 nan 0.000 0.433 121 L N -0.737 120.544 121.223 0.096 0.000 2.056 121 L HA -0.194 4.158 4.340 0.020 0.000 0.207 121 L C 2.783 179.730 176.870 0.128 0.000 1.078 121 L CA 1.090 56.004 54.840 0.123 0.000 0.749 121 L CB -0.483 41.649 42.059 0.122 0.000 0.901 121 L HN 0.228 nan 8.230 nan 0.000 0.433 122 R N -0.300 120.237 120.500 0.062 0.000 2.096 122 R HA -0.144 4.208 4.340 0.020 0.000 0.235 122 R C 2.213 178.598 176.300 0.142 0.000 1.127 122 R CA 1.831 57.913 56.100 -0.031 0.000 0.968 122 R CB -0.176 29.882 30.300 -0.403 0.000 0.861 122 R HN 0.252 nan 8.270 nan 0.000 0.440 123 T N 1.206 115.924 114.554 0.273 0.000 2.788 123 T HA -0.073 4.289 4.350 0.020 0.000 0.268 123 T C 0.744 175.523 174.700 0.132 0.000 1.044 123 T CA 0.965 63.246 62.100 0.301 0.000 1.139 123 T CB 0.020 69.021 68.868 0.221 0.000 0.867 123 T HN 0.123 nan 8.240 nan 0.000 0.454 127 E N 0.438 120.631 120.200 -0.011 0.000 2.106 127 E HA -0.145 4.217 4.350 0.020 0.000 0.192 127 E C 1.471 177.930 176.600 -0.234 0.000 0.984 127 E CA 1.609 57.915 56.400 -0.157 0.000 0.806 127 E CB 0.006 29.466 29.700 -0.401 0.000 0.750 127 E HN 0.381 nan 8.360 nan 0.000 0.458 128 C N 1.323 120.485 119.300 -0.230 0.000 2.425 128 C HA -0.064 4.408 4.460 0.020 0.000 0.277 128 C C 2.432 177.303 174.990 -0.199 0.000 1.280 128 C CA 0.380 59.180 59.018 -0.363 0.000 1.744 128 C CB -0.567 26.722 27.740 -0.752 0.000 1.989 128 C HN 0.403 nan 8.230 nan 0.000 0.491 129 E N 0.737 120.932 120.200 -0.009 0.000 2.107 129 E HA -0.049 4.313 4.350 0.020 0.000 0.191 129 E C 2.142 178.789 176.600 0.079 0.000 0.982 129 E CA 0.800 57.273 56.400 0.121 0.000 0.809 129 E CB -0.404 29.403 29.700 0.179 0.000 0.756 129 E HN 0.646 nan 8.360 nan 0.000 0.459 130 L N 0.358 121.615 121.223 0.057 0.000 2.093 130 L HA -0.154 4.199 4.340 0.020 0.000 0.208 130 L C 2.535 179.448 176.870 0.072 0.000 1.085 130 L CA 0.721 55.607 54.840 0.076 0.000 0.755 130 L CB -0.331 41.786 42.059 0.097 0.000 0.904 130 L HN 0.110 nan 8.230 nan 0.000 0.435 131 L N -1.095 120.145 121.223 0.030 0.000 2.027 131 L HA -0.235 4.118 4.340 0.020 0.000 0.206 131 L C 2.456 179.361 176.870 0.059 0.000 1.074 131 L CA 0.812 55.681 54.840 0.048 0.000 0.745 131 L CB -0.337 41.706 42.059 -0.026 0.000 0.898 131 L HN 0.203 nan 8.230 nan 0.000 0.433 132 L N -0.309 120.946 121.223 0.053 0.000 2.083 132 L HA -0.242 4.111 4.340 0.020 0.000 0.209 132 L C 2.603 179.495 176.870 0.037 0.000 1.083 132 L CA 1.631 56.520 54.840 0.082 0.000 0.752 132 L CB -0.771 41.383 42.059 0.159 0.000 0.899 132 L HN 0.340 nan 8.230 nan 0.000 0.433 133 Q N -0.839 118.968 119.800 0.011 0.000 2.119 133 Q HA -0.251 4.101 4.340 0.020 0.000 0.201 133 Q C 2.035 177.921 176.000 -0.190 0.000 0.972 133 Q CA 1.457 57.194 55.803 -0.110 0.000 0.847 133 Q CB 0.090 28.788 28.738 -0.066 0.000 0.903 133 Q HN 0.375 nan 8.270 nan 0.000 0.433 134 E N -0.037 120.171 120.200 0.012 0.000 2.106 134 E HA -0.126 4.236 4.350 0.020 0.000 0.192 134 E C 1.825 178.500 176.600 0.124 0.000 0.984 134 E CA 1.351 57.834 56.400 0.139 0.000 0.806 134 E CB -0.481 29.350 29.700 0.219 0.000 0.750 134 E HN 0.456 nan 8.360 nan 0.000 0.458 135 C N 0.028 119.377 119.300 0.081 0.000 2.425 135 C HA -0.026 4.447 4.460 0.020 0.000 0.277 135 C C 2.718 177.721 174.990 0.022 0.000 1.280 135 C CA 0.918 59.977 59.018 0.068 0.000 1.744 135 C CB -1.207 26.567 27.740 0.058 0.000 1.989 135 C HN 0.582 nan 8.230 nan 0.000 0.491 136 A N -0.204 122.595 122.820 -0.034 0.000 1.898 136 A HA -0.187 4.145 4.320 0.020 0.000 0.216 136 A C 1.914 179.497 177.584 -0.002 0.000 1.181 136 A CA 1.616 53.618 52.037 -0.057 0.000 0.620 136 A CB -0.751 18.174 19.000 -0.125 0.000 0.819 136 A HN 0.701 nan 8.150 nan 0.000 0.442 137 H N -0.362 118.735 119.070 0.047 0.000 2.389 137 H HA -0.048 4.518 4.556 0.017 0.000 0.299 137 H C 2.187 177.514 175.328 -0.002 0.000 1.081 137 H CA 1.533 57.600 56.048 0.032 0.000 1.345 137 H CB -0.221 29.574 29.762 0.056 0.000 1.393 137 H HN 0.466 nan 8.280 nan 0.000 0.520 138 Q N -0.007 119.860 119.800 0.111 0.000 2.119 138 Q HA -0.071 4.281 4.340 0.020 0.000 0.201 138 Q C 2.195 178.190 176.000 -0.009 0.000 0.972 138 Q CA 1.122 56.922 55.803 -0.004 0.000 0.847 138 Q CB -0.456 28.273 28.738 -0.016 0.000 0.903 138 Q HN 0.425 nan 8.270 nan 0.000 0.433 139 T N 0.770 115.327 114.554 0.005 0.000 2.720 139 T HA -0.119 4.243 4.350 0.020 0.000 0.268 139 T C 1.857 176.554 174.700 -0.005 0.000 1.037 139 T CA 1.874 63.962 62.100 -0.020 0.000 1.144 139 T CB -0.221 68.624 68.868 -0.039 0.000 0.864 139 T HN 0.344 nan 8.240 nan 0.000 0.444 140 T N 1.445 116.014 114.554 0.025 0.000 2.737 140 T HA -0.045 4.317 4.350 0.020 0.000 0.265 140 T C 1.980 176.687 174.700 0.011 0.000 1.038 140 T CA 1.149 63.267 62.100 0.030 0.000 1.144 140 T CB -0.146 68.760 68.868 0.064 0.000 0.866 140 T HN 0.385 nan 8.240 nan 0.000 0.434 141 K N 0.800 121.202 120.400 0.002 0.000 2.057 141 K HA 0.025 4.358 4.320 0.020 0.000 0.207 141 K C 1.911 178.493 176.600 -0.031 0.000 1.049 141 K CA 1.071 57.344 56.287 -0.023 0.000 0.931 141 K CB -0.179 32.290 32.500 -0.051 0.000 0.714 141 K HN 0.308 nan 8.250 nan 0.000 0.440 142 L N -0.367 120.834 121.223 -0.036 0.000 2.558 142 L HA 0.175 4.528 4.340 0.020 0.000 0.225 142 L C 1.083 177.943 176.870 -0.016 0.000 1.128 142 L CA 0.400 55.221 54.840 -0.032 0.000 0.868 142 L CB 0.126 42.161 42.059 -0.041 0.000 1.006 142 L HN 0.530 nan 8.230 nan 0.000 0.454 143 G N 1.852 110.646 108.800 -0.011 0.000 2.160 143 G HA2 -0.291 3.681 3.960 0.020 0.000 0.251 143 G HA3 -0.291 3.681 3.960 0.020 0.000 0.251 143 G C 0.222 175.119 174.900 -0.003 0.000 1.008 143 G CA 0.626 45.724 45.100 -0.003 0.000 0.724 143 G HN 0.581 nan 8.290 nan 0.000 0.514 144 R N -2.229 118.259 120.500 -0.019 0.000 2.692 144 R HA 0.698 5.050 4.340 0.020 0.000 0.269 144 R C -0.693 175.558 176.300 -0.081 0.000 1.030 144 R CA -1.297 54.784 56.100 -0.031 0.000 0.882 144 R CB 0.823 31.117 30.300 -0.011 0.000 1.250 144 R HN 0.030 nan 8.270 nan 0.000 0.465 145 K N 1.247 121.550 120.400 -0.163 0.000 2.412 145 K HA 0.195 4.527 4.320 0.020 0.000 0.284 145 K C -1.109 175.390 176.600 -0.169 0.000 1.046 145 K CA 0.018 56.129 56.287 -0.294 0.000 0.999 145 K CB 0.808 32.847 32.500 -0.768 0.000 0.941 145 K HN 0.476 nan 8.250 nan 0.000 0.474 146 V N 5.931 125.776 119.914 -0.114 0.000 2.407 146 V HA 0.275 4.407 4.120 0.020 0.000 0.291 146 V C 0.137 176.213 176.094 -0.031 0.000 1.018 146 V CA -0.410 61.865 62.300 -0.042 0.000 0.842 146 V CB 1.266 33.088 31.823 -0.002 0.000 0.996 146 V HN 0.959 nan 8.190 nan 0.000 0.426 147 E N 2.287 122.479 120.200 -0.013 0.000 2.801 147 E HA 0.202 4.565 4.350 0.020 0.000 0.212 147 E C 0.162 176.777 176.600 0.024 0.000 0.963 147 E CA -0.236 56.170 56.400 0.009 0.000 1.247 147 E CB 1.069 30.770 29.700 0.002 0.000 1.076 147 E HN 0.648 nan 8.360 nan 0.000 0.504 148 T N -0.412 114.162 114.554 0.033 0.000 2.916 148 T HA 0.744 5.106 4.350 0.020 0.000 0.292 148 T C -0.009 174.728 174.700 0.062 0.000 1.064 148 T CA -0.965 61.157 62.100 0.037 0.000 1.011 148 T CB 1.858 70.740 68.868 0.023 0.000 1.152 148 T HN 0.324 nan 8.240 nan 0.000 0.510 149 I N -1.664 118.943 120.570 0.061 0.000 2.785 149 I HA 0.738 4.920 4.170 0.020 0.000 0.302 149 I C -0.948 175.197 176.117 0.046 0.000 1.069 149 I CA -0.931 60.414 61.300 0.075 0.000 1.045 149 I CB 2.510 40.560 38.000 0.083 0.000 1.236 149 I HN 0.525 nan 8.210 nan 0.000 0.429 150 T N 5.850 120.437 114.554 0.055 0.000 2.794 150 T HA 0.639 5.001 4.350 0.020 0.000 0.280 150 T C -0.235 174.472 174.700 0.012 0.000 0.987 150 T CA -0.286 61.819 62.100 0.009 0.000 0.993 150 T CB 1.135 70.038 68.868 0.058 0.000 0.939 150 T HN 0.377 nan 8.240 nan 0.000 0.449 151 I N 3.818 124.368 120.570 -0.034 0.000 2.474 151 I HA 0.435 4.618 4.170 0.020 0.000 0.294 151 I C -0.683 175.411 176.117 -0.038 0.000 1.005 151 I CA -1.051 60.252 61.300 0.005 0.000 1.113 151 I CB 1.811 39.865 38.000 0.090 0.000 1.289 151 I HN 0.327 nan 8.210 nan 0.000 0.436 152 I N 6.317 126.755 120.570 -0.221 0.000 2.328 152 I HA 0.183 4.365 4.170 0.020 0.000 0.287 152 I C -0.794 175.227 176.117 -0.161 0.000 1.012 152 I CA -0.567 60.574 61.300 -0.264 0.000 1.195 152 I CB 0.780 38.293 38.000 -0.811 0.000 1.350 152 I HN 0.471 nan 8.210 nan 0.000 0.464 153 Y N 5.181 125.414 120.300 -0.112 0.000 2.595 153 Y HA 0.232 4.793 4.550 0.019 0.000 0.336 153 Y C 0.403 176.253 175.900 -0.084 0.000 0.996 153 Y CA -0.499 57.564 58.100 -0.061 0.000 1.260 153 Y CB 0.457 38.920 38.460 0.005 0.000 1.108 153 Y HN 0.457 nan 8.280 nan 0.000 0.509 154 D N 4.323 124.634 120.400 -0.148 0.000 2.374 154 D HA 0.072 4.724 4.640 0.020 0.000 0.240 154 D C -0.062 176.190 176.300 -0.080 0.000 1.229 154 D CA 0.119 54.069 54.000 -0.083 0.000 0.895 154 D CB 0.544 41.365 40.800 0.034 0.000 1.046 154 D HN 0.642 nan 8.370 nan 0.000 0.498 155 C N 3.667 122.956 119.300 -0.018 0.000 2.625 155 C HA 0.117 4.590 4.460 0.020 0.000 0.285 155 C C 1.043 176.023 174.990 -0.017 0.000 1.279 155 C CA -0.512 58.521 59.018 0.025 0.000 1.698 155 C CB -1.620 26.201 27.740 0.135 0.000 1.821 155 C HN 0.592 nan 8.230 nan 0.000 0.600 156 E N 0.624 120.799 120.200 -0.042 0.000 2.417 156 E HA 0.341 4.703 4.350 0.020 0.000 0.261 156 E C 1.247 177.851 176.600 0.006 0.000 1.000 156 E CA 0.953 57.341 56.400 -0.020 0.000 0.919 156 E CB 0.071 29.757 29.700 -0.023 0.000 0.955 156 E HN 0.524 nan 8.360 nan 0.000 0.455 157 G N 3.583 112.402 108.800 0.030 0.000 2.175 157 G HA2 -0.284 3.688 3.960 0.020 0.000 0.244 157 G HA3 -0.284 3.688 3.960 0.020 0.000 0.244 157 G C 0.001 174.961 174.900 0.100 0.000 0.982 157 G CA 0.061 45.202 45.100 0.067 0.000 0.641 157 G HN 0.595 nan 8.290 nan 0.000 0.527 158 L N 1.782 123.018 121.223 0.022 0.000 2.534 158 L HA 0.616 4.968 4.340 0.020 0.000 0.271 158 L C 0.795 177.771 176.870 0.177 0.000 1.178 158 L CA 1.168 55.993 54.840 -0.025 0.000 0.907 158 L CB 0.467 42.524 42.059 -0.003 0.000 1.164 158 L HN 0.680 nan 8.230 nan 0.000 0.482 159 G N 4.047 113.101 108.800 0.423 0.000 2.866 159 G HA2 0.355 4.327 3.960 0.020 0.000 0.289 159 G HA3 0.355 4.327 3.960 0.020 0.000 0.289 159 G C 0.328 175.340 174.900 0.187 0.000 1.396 159 G CA -0.653 44.588 45.100 0.236 0.000 0.848 159 G HN 0.635 nan 8.290 nan 0.000 0.515 160 L N -0.045 121.224 121.223 0.077 0.000 2.187 160 L HA -0.105 4.247 4.340 0.020 0.000 0.213 160 L C 2.943 179.802 176.870 -0.019 0.000 1.100 160 L CA 1.910 56.766 54.840 0.027 0.000 0.765 160 L CB -0.245 41.811 42.059 -0.005 0.000 0.904 160 L HN 0.766 nan 8.230 nan 0.000 0.437 161 K N -1.036 119.308 120.400 -0.092 0.000 2.280 161 K HA -0.179 4.153 4.320 0.020 0.000 0.202 161 K C 1.637 178.119 176.600 -0.198 0.000 1.047 161 K CA 1.326 57.494 56.287 -0.199 0.000 0.942 161 K CB -0.346 31.967 32.500 -0.313 0.000 0.739 161 K HN 0.405 nan 8.250 nan 0.000 0.457 162 H N 0.541 119.625 119.070 0.024 0.000 2.551 162 H HA 0.111 4.680 4.556 0.021 0.000 0.266 162 H C 1.484 176.851 175.328 0.066 0.000 0.977 162 H CA 0.646 56.719 56.048 0.042 0.000 1.163 162 H CB 0.246 30.022 29.762 0.024 0.000 1.381 162 H HN 0.239 nan 8.280 nan 0.000 0.581 163 L N -0.578 120.728 121.223 0.139 0.000 2.592 163 L HA 0.036 4.388 4.340 0.020 0.000 0.227 163 L C 0.635 177.567 176.870 0.103 0.000 1.127 163 L CA -0.436 54.463 54.840 0.097 0.000 0.884 163 L CB -0.170 41.916 42.059 0.046 0.000 1.065 163 L HN 0.173 nan 8.230 nan 0.000 0.457 164 W N 3.131 124.383 121.300 -0.080 0.000 2.534 164 W HA -0.118 4.554 4.660 0.020 0.000 0.340 164 W C 1.608 178.093 176.519 -0.055 0.000 1.352 164 W CA 0.033 57.320 57.345 -0.097 0.000 1.305 164 W CB 0.379 29.766 29.460 -0.121 0.000 1.299 164 W HN 0.003 nan 8.180 nan 0.000 0.572 165 K N 5.868 126.078 120.400 -0.317 0.000 2.052 165 K HA -0.235 4.097 4.320 0.020 0.000 0.215 165 K C -0.650 175.636 176.600 -0.524 0.000 1.053 165 K CA 2.708 58.787 56.287 -0.347 0.000 0.934 165 K CB -0.946 31.401 32.500 -0.255 0.000 0.717 165 K HN 0.303 nan 8.250 nan 0.000 0.450 166 P HA -0.176 nan 4.420 nan 0.000 0.216 166 P C 0.746 177.678 177.300 -0.614 0.000 1.150 166 P CA 1.949 64.531 63.100 -0.864 0.000 0.843 166 P CB -0.032 30.885 31.700 -1.306 0.000 0.787 167 A N -0.767 121.680 122.820 -0.622 0.000 1.898 167 A HA -0.139 4.194 4.320 0.020 0.000 0.216 167 A C 2.310 179.869 177.584 -0.043 0.000 1.181 167 A CA 1.684 53.636 52.037 -0.140 0.000 0.620 167 A CB -1.650 17.441 19.000 0.152 0.000 0.819 167 A HN 0.020 nan 8.150 nan 0.000 0.442 168 V N 0.403 120.291 119.914 -0.043 0.000 2.343 168 V HA -0.271 3.861 4.120 0.020 0.000 0.247 168 V C 2.388 178.500 176.094 0.030 0.000 1.051 168 V CA 2.272 64.610 62.300 0.065 0.000 1.036 168 V CB -0.895 30.968 31.823 0.067 0.000 0.654 168 V HN 0.640 nan 8.190 nan 0.000 0.451 169 E N 0.449 120.612 120.200 -0.063 0.000 2.072 169 E HA -0.167 4.195 4.350 0.020 0.000 0.191 169 E C 2.357 178.882 176.600 -0.124 0.000 0.985 169 E CA 1.256 57.602 56.400 -0.090 0.000 0.801 169 E CB -0.338 29.299 29.700 -0.106 0.000 0.750 169 E HN 0.602 nan 8.360 nan 0.000 0.452 170 A N 1.079 123.852 122.820 -0.079 0.000 1.877 170 A HA -0.219 4.114 4.320 0.020 0.000 0.216 170 A C 2.072 179.682 177.584 0.042 0.000 1.186 170 A CA 1.346 53.367 52.037 -0.027 0.000 0.620 170 A CB -0.784 18.210 19.000 -0.010 0.000 0.822 170 A HN 0.343 nan 8.150 nan 0.000 0.443 171 Y N 1.062 121.315 120.300 -0.078 0.000 2.224 171 Y HA -0.084 4.478 4.550 0.020 0.000 0.289 171 Y C 2.476 178.286 175.900 -0.151 0.000 1.146 171 Y CA 1.066 59.156 58.100 -0.018 0.000 1.182 171 Y CB -0.916 37.555 38.460 0.018 0.000 0.983 171 Y HN 0.227 nan 8.280 nan 0.000 0.524 172 G N -0.406 108.118 108.800 -0.460 0.000 2.432 172 G HA2 -0.241 3.731 3.960 0.020 0.000 0.219 172 G HA3 -0.241 3.731 3.960 0.020 0.000 0.219 172 G C 1.552 175.929 174.900 -0.871 0.000 1.135 172 G CA 0.917 45.207 45.100 -1.350 0.000 0.767 172 G HN 0.504 nan 8.290 nan 0.000 0.550 173 E N -0.445 119.508 120.200 -0.411 0.000 2.072 173 E HA -0.103 4.260 4.350 0.020 0.000 0.191 173 E C 2.064 178.594 176.600 -0.118 0.000 0.985 173 E CA 0.806 57.085 56.400 -0.202 0.000 0.801 173 E CB -0.225 29.430 29.700 -0.075 0.000 0.750 173 E HN 0.484 nan 8.360 nan 0.000 0.452 174 F N 1.775 121.616 119.950 -0.181 0.000 2.075 174 F HA -0.173 4.366 4.527 0.019 0.000 0.297 174 F C 1.906 177.621 175.800 -0.142 0.000 1.113 174 F CA 1.311 59.246 58.000 -0.108 0.000 1.218 174 F CB -0.391 38.567 39.000 -0.069 0.000 0.984 174 F HN -0.108 nan 8.300 nan 0.000 0.472 175 L N -0.175 120.651 121.223 -0.663 0.000 2.042 175 L HA -0.231 4.121 4.340 0.020 0.000 0.210 175 L C 1.806 178.453 176.870 -0.373 0.000 1.076 175 L CA 0.593 55.036 54.840 -0.661 0.000 0.749 175 L CB -1.057 40.699 42.059 -0.504 0.000 0.893 175 L HN 0.211 nan 8.230 nan 0.000 0.432 179 E N 1.411 121.480 120.200 -0.219 0.000 2.110 179 E HA -0.160 4.202 4.350 0.020 0.000 0.193 179 E C 1.399 177.820 176.600 -0.297 0.000 0.988 179 E CA 1.867 58.121 56.400 -0.243 0.000 0.804 179 E CB -0.185 29.447 29.700 -0.114 0.000 0.745 179 E HN 0.671 nan 8.360 nan 0.000 0.458 180 E N 0.020 120.059 120.200 -0.268 0.000 2.318 180 E HA 0.024 4.386 4.350 0.020 0.000 0.193 180 E C 1.380 177.819 176.600 -0.267 0.000 0.998 180 E CA 0.208 56.475 56.400 -0.222 0.000 0.859 180 E CB 0.201 29.792 29.700 -0.183 0.000 0.812 180 E HN 0.162 nan 8.360 nan 0.000 0.492 181 N N -0.488 117.935 118.700 -0.461 0.000 2.227 181 N HA 0.030 4.782 4.740 0.020 0.000 0.196 181 N C -0.358 174.460 175.510 -1.154 0.000 1.142 181 N CA 0.352 52.993 53.050 -0.680 0.000 0.887 181 N CB 0.766 38.784 38.487 -0.782 0.000 1.022 181 N HN 0.124 nan 8.380 nan 0.000 0.500 182 Y N 1.508 121.372 120.300 -0.727 0.000 2.473 182 Y HA 0.335 4.896 4.550 0.019 0.000 0.345 182 Y C -2.286 173.056 175.900 -0.931 0.000 0.932 182 Y CA -1.899 55.709 58.100 -0.820 0.000 1.124 182 Y CB 0.795 38.727 38.460 -0.881 0.000 1.162 182 Y HN -0.060 nan 8.280 nan 0.000 0.629 183 P HA -0.025 nan 4.420 nan 0.000 0.269 183 P C 0.108 177.058 177.300 -0.583 0.000 1.215 183 P CA 0.396 63.069 63.100 -0.713 0.000 0.780 183 P CB 0.986 32.176 31.700 -0.850 0.000 0.898 184 E N -0.235 119.733 120.200 -0.387 0.000 2.403 184 E HA -0.170 4.192 4.350 0.020 0.000 0.241 184 E C 0.419 176.900 176.600 -0.198 0.000 1.201 184 E CA 1.030 57.270 56.400 -0.266 0.000 0.721 184 E CB -2.360 27.160 29.700 -0.300 0.000 1.245 184 E HN 0.547 nan 8.360 nan 0.000 0.392 185 T N -0.877 113.580 114.554 -0.163 0.000 3.018 185 T HA 0.107 4.469 4.350 0.020 0.000 0.246 185 T C 0.701 175.432 174.700 0.051 0.000 1.026 185 T CA -0.110 61.959 62.100 -0.053 0.000 1.081 185 T CB 0.302 69.143 68.868 -0.046 0.000 0.970 185 T HN 0.126 nan 8.240 nan 0.000 0.475 186 L N 2.814 124.101 121.223 0.107 0.000 2.367 186 L HA 0.363 4.715 4.340 0.020 0.000 0.275 186 L C 1.094 177.969 176.870 0.008 0.000 1.129 186 L CA 0.270 55.168 54.840 0.097 0.000 0.839 186 L CB 0.757 42.893 42.059 0.129 0.000 1.133 186 L HN -0.106 nan 8.230 nan 0.000 0.453 187 K N 3.500 123.890 120.400 -0.017 0.000 2.190 187 K HA 0.182 4.514 4.320 0.020 0.000 0.202 187 K C 0.136 176.673 176.600 -0.105 0.000 1.045 187 K CA 0.009 56.272 56.287 -0.041 0.000 0.976 187 K CB 0.428 32.919 32.500 -0.016 0.000 0.849 187 K HN 0.682 nan 8.250 nan 0.000 0.468 188 R N 0.182 120.577 120.500 -0.175 0.000 2.604 188 R HA 0.369 4.721 4.340 0.020 0.000 0.261 188 R C -2.323 173.716 176.300 -0.435 0.000 1.080 188 R CA -0.506 55.381 56.100 -0.356 0.000 0.917 188 R CB 1.299 31.288 30.300 -0.520 0.000 1.252 188 R HN 0.135 nan 8.270 nan 0.000 0.456 189 L N 4.504 125.443 121.223 -0.472 0.000 2.404 189 L HA 0.612 4.964 4.340 0.020 0.000 0.272 189 L C -1.556 175.092 176.870 -0.369 0.000 0.980 189 L CA -0.622 54.016 54.840 -0.336 0.000 0.836 189 L CB 0.973 42.936 42.059 -0.160 0.000 1.238 189 L HN 0.615 nan 8.230 nan 0.000 0.408 190 F N 4.912 124.812 119.950 -0.083 0.000 2.371 190 F HA 0.363 4.901 4.527 0.018 0.000 0.363 190 F C 0.232 175.986 175.800 -0.077 0.000 1.122 190 F CA -0.578 57.366 58.000 -0.093 0.000 1.129 190 F CB 1.426 40.371 39.000 -0.092 0.000 1.173 190 F HN 0.037 nan 8.300 nan 0.000 0.489 191 V N 5.416 125.363 119.914 0.054 0.000 2.408 191 V HA 0.402 4.535 4.120 0.020 0.000 0.267 191 V C -0.097 175.917 176.094 -0.133 0.000 1.047 191 V CA -0.617 61.657 62.300 -0.043 0.000 0.937 191 V CB 1.012 32.694 31.823 -0.234 0.000 0.999 191 V HN 0.560 nan 8.190 nan 0.000 0.472 192 V N 2.341 122.141 119.914 -0.190 0.000 2.715 192 V HA 0.681 4.813 4.120 0.020 0.000 0.310 192 V C 0.206 176.016 176.094 -0.474 0.000 1.054 192 V CA -1.189 60.835 62.300 -0.461 0.000 0.928 192 V CB 1.400 32.727 31.823 -0.826 0.000 1.007 192 V HN 0.836 nan 8.190 nan 0.000 0.437 193 K N 0.986 121.069 120.400 -0.528 0.000 3.069 193 K HA -0.161 4.171 4.320 0.020 0.000 0.267 193 K C 0.533 177.037 176.600 -0.160 0.000 1.082 193 K CA 0.791 56.900 56.287 -0.298 0.000 0.782 193 K CB -1.657 30.667 32.500 -0.294 0.000 1.230 193 K HN 1.496 nan 8.250 nan 0.000 0.488 194 A N 1.647 124.350 122.820 -0.194 0.000 2.524 194 A HA 0.253 4.585 4.320 0.020 0.000 0.250 194 A C -0.956 176.607 177.584 -0.034 0.000 1.078 194 A CA -0.653 51.293 52.037 -0.152 0.000 0.761 194 A CB -0.002 18.697 19.000 -0.501 0.000 1.012 194 A HN 0.170 nan 8.150 nan 0.000 0.500 195 P HA 0.235 nan 4.420 nan 0.000 0.306 195 P C 0.513 177.883 177.300 0.117 0.000 1.309 195 P CA -0.599 62.547 63.100 0.076 0.000 0.759 195 P CB 0.654 32.403 31.700 0.081 0.000 1.314 196 K N -0.111 120.348 120.400 0.099 0.000 2.211 196 K HA -0.123 4.209 4.320 0.020 0.000 0.204 196 K C 1.612 178.289 176.600 0.128 0.000 1.047 196 K CA 1.242 57.592 56.287 0.104 0.000 0.935 196 K CB -1.077 31.471 32.500 0.080 0.000 0.728 196 K HN 0.170 nan 8.250 nan 0.000 0.452 197 L N 1.074 122.375 121.223 0.130 0.000 2.552 197 L HA 0.072 4.425 4.340 0.020 0.000 0.227 197 L C 1.924 178.875 176.870 0.135 0.000 1.146 197 L CA 0.596 55.507 54.840 0.118 0.000 0.858 197 L CB -0.632 41.490 42.059 0.104 0.000 0.969 197 L HN 0.101 nan 8.230 nan 0.000 0.451 198 F N 1.729 121.712 119.950 0.056 0.000 2.063 198 F HA -0.206 4.333 4.527 0.020 0.000 0.298 198 F C -0.527 175.331 175.800 0.097 0.000 1.109 198 F CA 2.073 60.111 58.000 0.064 0.000 1.212 198 F CB -1.564 37.453 39.000 0.027 0.000 0.973 198 F HN 0.182 nan 8.300 nan 0.000 0.480 199 P HA -0.175 nan 4.420 nan 0.000 0.216 199 P C 2.011 179.284 177.300 -0.045 0.000 1.150 199 P CA 1.834 64.942 63.100 0.013 0.000 0.843 199 P CB -0.045 31.722 31.700 0.112 0.000 0.787 200 V N -0.262 119.637 119.914 -0.025 0.000 2.346 200 V HA -0.161 3.971 4.120 0.020 0.000 0.244 200 V C 2.419 178.476 176.094 -0.061 0.000 1.037 200 V CA 2.057 64.344 62.300 -0.022 0.000 1.029 200 V CB -1.594 30.236 31.823 0.013 0.000 0.663 200 V HN 0.077 nan 8.190 nan 0.000 0.454 201 A N -0.731 122.042 122.820 -0.079 0.000 1.902 201 A HA -0.280 4.052 4.320 0.020 0.000 0.217 201 A C 2.178 179.682 177.584 -0.135 0.000 1.181 201 A CA 2.165 54.159 52.037 -0.071 0.000 0.623 201 A CB -0.803 18.176 19.000 -0.035 0.000 0.818 201 A HN 0.633 nan 8.150 nan 0.000 0.443 202 Y N 1.141 121.153 120.300 -0.479 0.000 2.181 202 Y HA -0.202 4.360 4.550 0.020 0.000 0.288 202 Y C 2.142 177.901 175.900 -0.236 0.000 1.146 202 Y CA 1.902 59.714 58.100 -0.481 0.000 1.164 202 Y CB -0.471 37.474 38.460 -0.858 0.000 0.982 202 Y HN 0.381 nan 8.280 nan 0.000 0.515 203 N N 0.367 118.899 118.700 -0.280 0.000 2.272 203 N HA -0.169 4.583 4.740 0.020 0.000 0.185 203 N C 1.716 177.066 175.510 -0.265 0.000 1.014 203 N CA 1.329 54.211 53.050 -0.279 0.000 0.870 203 N CB -0.417 37.998 38.487 -0.119 0.000 0.975 203 N HN 0.500 nan 8.380 nan 0.000 0.433 204 L N -0.223 120.892 121.223 -0.180 0.000 2.141 204 L HA -0.090 4.262 4.340 0.020 0.000 0.209 204 L C 1.603 178.427 176.870 -0.076 0.000 1.094 204 L CA 0.819 55.602 54.840 -0.095 0.000 0.763 204 L CB -0.238 41.821 42.059 0.001 0.000 0.908 204 L HN 0.280 nan 8.230 nan 0.000 0.437 205 I N -4.411 116.100 120.570 -0.099 0.000 3.941 205 I HA 0.025 4.208 4.170 0.020 0.000 0.321 205 I C 2.090 178.091 176.117 -0.193 0.000 1.284 205 I CA 0.494 61.840 61.300 0.077 0.000 1.226 205 I CB -0.401 37.712 38.000 0.189 0.000 1.045 205 I HN -0.031 nan 8.210 nan 0.000 0.420 206 K N 1.936 122.021 120.400 -0.526 0.000 2.089 206 K HA -0.123 4.209 4.320 0.020 0.000 0.210 206 K C -0.607 175.768 176.600 -0.376 0.000 1.048 206 K CA 2.066 57.996 56.287 -0.595 0.000 0.926 206 K CB -1.086 30.959 32.500 -0.759 0.000 0.714 206 K HN 0.303 nan 8.250 nan 0.000 0.448 207 P HA -0.113 nan 4.420 nan 0.000 0.222 207 P C 0.427 177.461 177.300 -0.443 0.000 1.147 207 P CA 1.065 63.873 63.100 -0.487 0.000 0.790 207 P CB 0.009 31.316 31.700 -0.656 0.000 0.780 208 F N -1.571 118.287 119.950 -0.154 0.000 2.789 208 F HA 0.118 4.657 4.527 0.020 0.000 0.300 208 F C 1.151 176.865 175.800 -0.143 0.000 1.132 208 F CA 0.129 58.040 58.000 -0.147 0.000 1.404 208 F CB -0.723 38.173 39.000 -0.173 0.000 1.114 208 F HN -0.199 nan 8.300 nan 0.000 0.584 209 L N 0.340 121.560 121.223 -0.004 0.000 2.307 209 L HA 0.362 4.714 4.340 0.020 0.000 0.282 209 L C 0.739 177.591 176.870 -0.031 0.000 1.051 209 L CA -0.944 53.887 54.840 -0.016 0.000 0.804 209 L CB 1.223 43.274 42.059 -0.014 0.000 1.197 209 L HN -0.018 nan 8.230 nan 0.000 0.431 210 S N 0.765 116.449 115.700 -0.026 0.000 2.600 210 S HA 0.111 4.593 4.470 0.020 0.000 0.265 210 S C 0.793 175.375 174.600 -0.029 0.000 1.325 210 S CA -0.591 57.586 58.200 -0.039 0.000 1.002 210 S CB 1.092 64.258 63.200 -0.056 0.000 0.921 210 S HN 0.703 nan 8.310 nan 0.000 0.554 211 E N 0.506 120.686 120.200 -0.033 0.000 2.110 211 E HA -0.209 4.154 4.350 0.020 0.000 0.193 211 E C 1.524 178.111 176.600 -0.022 0.000 0.988 211 E CA 1.279 57.665 56.400 -0.023 0.000 0.804 211 E CB -0.160 29.525 29.700 -0.026 0.000 0.745 211 E HN 0.816 nan 8.360 nan 0.000 0.458 212 D N 0.270 120.649 120.400 -0.035 0.000 2.117 212 D HA -0.141 4.511 4.640 0.020 0.000 0.197 212 D C 1.713 177.997 176.300 -0.028 0.000 0.987 212 D CA 1.328 55.304 54.000 -0.039 0.000 0.829 212 D CB 0.194 40.956 40.800 -0.063 0.000 0.961 212 D HN 0.065 nan 8.370 nan 0.000 0.460 213 T N 0.525 115.070 114.554 -0.015 0.000 2.737 213 T HA -0.079 4.284 4.350 0.020 0.000 0.265 213 T C 2.127 176.829 174.700 0.004 0.000 1.038 213 T CA 0.804 62.907 62.100 0.004 0.000 1.144 213 T CB -0.086 68.800 68.868 0.030 0.000 0.866 213 T HN 0.196 nan 8.240 nan 0.000 0.434 214 R N 1.139 121.653 120.500 0.022 0.000 2.091 214 R HA -0.050 4.302 4.340 0.020 0.000 0.238 214 R C 2.444 178.752 176.300 0.013 0.000 1.136 214 R CA 1.276 57.409 56.100 0.055 0.000 0.959 214 R CB -0.179 30.166 30.300 0.075 0.000 0.856 214 R HN 0.357 nan 8.270 nan 0.000 0.437 215 K N 0.555 120.951 120.400 -0.006 0.000 2.362 215 K HA -0.107 4.225 4.320 0.020 0.000 0.200 215 K C 1.511 178.085 176.600 -0.044 0.000 1.046 215 K CA 1.004 57.279 56.287 -0.021 0.000 0.952 215 K CB 0.099 32.587 32.500 -0.020 0.000 0.753 215 K HN 0.156 nan 8.250 nan 0.000 0.466 216 K N 0.227 120.592 120.400 -0.057 0.000 2.404 216 K HA 0.153 4.486 4.320 0.020 0.000 0.194 216 K C 0.685 177.196 176.600 -0.148 0.000 1.023 216 K CA 0.041 56.268 56.287 -0.100 0.000 1.094 216 K CB 0.324 32.768 32.500 -0.093 0.000 0.841 216 K HN 0.052 nan 8.250 nan 0.000 0.523 220 L N 3.464 124.657 121.223 -0.050 0.000 2.357 220 L HA 0.821 5.173 4.340 0.020 0.000 0.273 220 L C 1.239 178.124 176.870 0.026 0.000 1.080 220 L CA 0.097 54.958 54.840 0.035 0.000 0.803 220 L CB 1.434 43.561 42.059 0.113 0.000 1.174 220 L HN 0.778 nan 8.230 nan 0.000 0.443 221 G N 0.260 109.108 108.800 0.081 0.000 2.630 221 G HA2 0.389 4.361 3.960 0.020 0.000 0.223 221 G HA3 0.389 4.361 3.960 0.020 0.000 0.223 221 G C 0.928 175.943 174.900 0.193 0.000 1.434 221 G CA 0.218 45.371 45.100 0.087 0.000 1.057 221 G HN 0.737 nan 8.290 nan 0.000 0.570 222 A N 0.219 123.124 122.820 0.142 0.000 2.019 222 A HA -0.083 4.249 4.320 0.020 0.000 0.219 222 A C 1.799 179.435 177.584 0.087 0.000 1.164 222 A CA 1.935 54.063 52.037 0.153 0.000 0.644 222 A CB -0.538 18.505 19.000 0.071 0.000 0.805 222 A HN 0.636 nan 8.150 nan 0.000 0.449 223 N N 0.150 118.879 118.700 0.049 0.000 2.346 223 N HA -0.067 4.686 4.740 0.020 0.000 0.225 223 N C 1.183 176.667 175.510 -0.043 0.000 1.144 223 N CA 0.242 53.261 53.050 -0.051 0.000 0.837 223 N CB -0.876 37.594 38.487 -0.028 0.000 1.069 223 N HN 0.857 nan 8.380 nan 0.000 0.487 224 W N 1.232 122.511 121.300 -0.035 0.000 2.325 224 W HA -0.117 4.554 4.660 0.019 0.000 0.299 224 W C 0.782 177.260 176.519 -0.069 0.000 1.215 224 W CA 0.441 57.752 57.345 -0.056 0.000 1.244 224 W CB -0.767 28.671 29.460 -0.038 0.000 1.140 224 W HN 0.051 nan 8.180 nan 0.000 0.523 225 K N 0.871 120.858 120.400 -0.687 0.000 2.063 225 K HA -0.178 4.155 4.320 0.020 0.000 0.208 225 K C 2.030 178.486 176.600 -0.240 0.000 1.048 225 K CA 2.208 58.141 56.287 -0.591 0.000 0.928 225 K CB -0.309 31.693 32.500 -0.829 0.000 0.713 225 K HN 0.241 nan 8.250 nan 0.000 0.442 226 E N 0.312 120.391 120.200 -0.201 0.000 2.150 226 E HA -0.134 4.228 4.350 0.020 0.000 0.193 226 E C 2.003 178.567 176.600 -0.059 0.000 0.985 226 E CA 0.947 57.281 56.400 -0.111 0.000 0.814 226 E CB 0.080 29.725 29.700 -0.092 0.000 0.752 226 E HN 0.054 nan 8.360 nan 0.000 0.466 227 V N 1.641 121.529 119.914 -0.043 0.000 2.358 227 V HA -0.239 3.893 4.120 0.020 0.000 0.246 227 V C 2.303 178.375 176.094 -0.035 0.000 1.047 227 V CA 1.345 63.642 62.300 -0.006 0.000 1.035 227 V CB -0.436 31.383 31.823 -0.007 0.000 0.658 227 V HN 0.274 nan 8.190 nan 0.000 0.452 228 L N -0.494 120.642 121.223 -0.145 0.000 2.046 228 L HA -0.164 4.188 4.340 0.020 0.000 0.208 228 L C 2.202 179.078 176.870 0.010 0.000 1.077 228 L CA 1.463 56.197 54.840 -0.177 0.000 0.747 228 L CB -0.528 41.494 42.059 -0.061 0.000 0.896 228 L HN 0.311 nan 8.230 nan 0.000 0.432 229 L N -0.327 120.895 121.223 -0.003 0.000 2.622 229 L HA -0.114 4.239 4.340 0.020 0.000 0.233 229 L C 1.970 178.833 176.870 -0.010 0.000 1.156 229 L CA 0.669 55.512 54.840 0.005 0.000 0.866 229 L CB -0.371 41.675 42.059 -0.022 0.000 0.980 229 L HN 0.259 nan 8.230 nan 0.000 0.448 230 K N -1.148 119.237 120.400 -0.026 0.000 2.361 230 K HA 0.047 4.379 4.320 0.020 0.000 0.194 230 K C 0.994 177.396 176.600 -0.330 0.000 1.032 230 K CA 0.395 56.575 56.287 -0.179 0.000 1.048 230 K CB 0.342 32.690 32.500 -0.253 0.000 0.842 230 K HN 0.378 nan 8.250 nan 0.000 0.526 231 H N -1.112 117.988 119.070 0.050 0.000 3.205 231 H HA 0.312 4.879 4.556 0.019 0.000 0.252 231 H C -0.174 175.218 175.328 0.106 0.000 1.015 231 H CA -0.072 56.043 56.048 0.112 0.000 1.192 231 H CB 1.123 31.025 29.762 0.233 0.000 1.474 231 H HN -0.104 nan 8.280 nan 0.000 0.484 232 I N 0.328 121.010 120.570 0.187 0.000 2.533 232 I HA 0.207 4.389 4.170 0.020 0.000 0.290 232 I C -0.153 176.025 176.117 0.102 0.000 1.056 232 I CA -1.042 60.348 61.300 0.150 0.000 1.057 232 I CB 2.248 40.339 38.000 0.152 0.000 1.240 232 I HN -0.015 nan 8.210 nan 0.000 0.423 233 S N 5.909 121.667 115.700 0.098 0.000 2.560 233 S HA 0.167 4.650 4.470 0.020 0.000 0.284 233 S C -1.547 173.096 174.600 0.071 0.000 1.327 233 S CA -0.736 57.507 58.200 0.073 0.000 1.055 233 S CB 0.880 64.125 63.200 0.075 0.000 0.868 233 S HN 0.389 nan 8.310 nan 0.000 0.506 234 P HA -0.148 nan 4.420 nan 0.000 0.216 234 P C 0.923 178.253 177.300 0.051 0.000 1.150 234 P CA 1.288 64.414 63.100 0.043 0.000 0.843 234 P CB -0.040 31.673 31.700 0.021 0.000 0.787 235 D N -1.589 118.842 120.400 0.051 0.000 2.371 235 D HA -0.132 4.520 4.640 0.020 0.000 0.221 235 D C 1.289 177.629 176.300 0.067 0.000 0.986 235 D CA 0.813 54.843 54.000 0.051 0.000 0.899 235 D CB -0.471 40.358 40.800 0.048 0.000 0.902 235 D HN 0.192 nan 8.370 nan 0.000 0.530 236 Q N 0.240 120.091 119.800 0.085 0.000 2.282 236 Q HA 0.196 4.549 4.340 0.020 0.000 0.206 236 Q C -0.058 176.004 176.000 0.103 0.000 0.878 236 Q CA 0.021 55.883 55.803 0.098 0.000 0.944 236 Q CB 1.861 30.678 28.738 0.132 0.000 1.100 236 Q HN 0.184 nan 8.270 nan 0.000 0.509 237 V N 2.586 122.566 119.914 0.109 0.000 2.448 237 V HA 0.327 4.460 4.120 0.020 0.000 0.295 237 V C -2.301 173.867 176.094 0.124 0.000 1.025 237 V CA -2.161 60.233 62.300 0.156 0.000 0.859 237 V CB 1.714 33.645 31.823 0.181 0.000 0.988 237 V HN -0.025 nan 8.190 nan 0.000 0.431 238 P HA 0.042 nan 4.420 nan 0.000 0.267 238 P C 1.110 178.484 177.300 0.123 0.000 1.201 238 P CA 0.139 63.297 63.100 0.098 0.000 0.775 238 P CB 0.668 32.433 31.700 0.109 0.000 0.854 239 V N 1.771 121.716 119.914 0.052 0.000 2.332 239 V HA -0.268 3.864 4.120 0.020 0.000 0.248 239 V C 2.299 178.393 176.094 0.000 0.000 1.055 239 V CA 2.381 64.690 62.300 0.015 0.000 1.038 239 V CB -1.121 30.693 31.823 -0.016 0.000 0.651 239 V HN 0.652 nan 8.190 nan 0.000 0.450 240 E N 0.075 120.268 120.200 -0.012 0.000 2.187 240 E HA -0.241 4.121 4.350 0.020 0.000 0.199 240 E C 1.322 177.768 176.600 -0.256 0.000 1.004 240 E CA 1.788 58.097 56.400 -0.151 0.000 0.813 240 E CB -0.292 29.299 29.700 -0.183 0.000 0.736 240 E HN 0.781 nan 8.360 nan 0.000 0.468 241 Y N -1.529 118.882 120.300 0.185 0.000 2.658 241 Y HA 0.402 4.965 4.550 0.021 0.000 0.276 241 Y C 1.270 177.231 175.900 0.102 0.000 1.167 241 Y CA 0.146 58.453 58.100 0.346 0.000 1.230 241 Y CB 1.030 39.773 38.460 0.471 0.000 1.144 241 Y HN 0.171 nan 8.280 nan 0.000 0.529 242 G N -0.673 108.141 108.800 0.024 0.000 2.176 242 G HA2 -0.195 3.777 3.960 0.020 0.000 0.232 242 G HA3 -0.195 3.777 3.960 0.020 0.000 0.232 242 G C 0.632 175.522 174.900 -0.016 0.000 0.986 242 G CA -0.148 44.901 45.100 -0.085 0.000 0.643 242 G HN 0.730 nan 8.290 nan 0.000 0.522 243 G N -0.844 107.986 108.800 0.050 0.000 2.702 243 G HA2 0.857 4.829 3.960 0.020 0.000 0.254 243 G HA3 0.857 4.829 3.960 0.020 0.000 0.254 243 G C 0.340 175.254 174.900 0.024 0.000 1.380 243 G CA 0.852 45.979 45.100 0.045 0.000 1.042 243 G HN 1.255 nan 8.290 nan 0.000 0.557 247 D N 1.172 121.561 120.400 -0.017 0.000 2.358 247 D HA 0.337 4.990 4.640 0.020 0.000 0.244 247 D C -1.378 174.914 176.300 -0.013 0.000 1.163 247 D CA -1.618 52.372 54.000 -0.017 0.000 0.945 247 D CB 1.147 41.935 40.800 -0.019 0.000 1.152 247 D HN 0.276 nan 8.370 nan 0.000 0.451 248 P HA -0.145 nan 4.420 nan 0.000 0.217 248 P C 0.740 178.034 177.300 -0.011 0.000 1.148 248 P CA 1.174 64.269 63.100 -0.009 0.000 0.828 248 P CB 0.128 31.824 31.700 -0.007 0.000 0.783 249 D N -2.059 118.332 120.400 -0.014 0.000 2.336 249 D HA 0.017 4.670 4.640 0.020 0.000 0.229 249 D C 1.243 177.531 176.300 -0.019 0.000 1.061 249 D CA 0.816 54.806 54.000 -0.016 0.000 0.875 249 D CB -0.595 40.194 40.800 -0.018 0.000 0.904 249 D HN 0.236 nan 8.370 nan 0.000 0.525 250 G N 1.058 109.846 108.800 -0.019 0.000 2.157 250 G HA2 -0.289 3.683 3.960 0.020 0.000 0.248 250 G HA3 -0.289 3.683 3.960 0.020 0.000 0.248 250 G C 0.100 174.982 174.900 -0.029 0.000 0.979 250 G CA -0.089 44.998 45.100 -0.022 0.000 0.650 250 G HN 0.490 nan 8.290 nan 0.000 0.529 251 N N 1.205 119.885 118.700 -0.033 0.000 2.452 251 N HA 0.242 4.995 4.740 0.020 0.000 0.266 251 N C -0.812 174.671 175.510 -0.045 0.000 1.209 251 N CA -0.996 52.026 53.050 -0.046 0.000 0.929 251 N CB 1.368 39.825 38.487 -0.050 0.000 1.063 251 N HN 0.064 nan 8.380 nan 0.000 0.472 252 P HA -0.050 nan 4.420 nan 0.000 0.220 252 P C 0.410 177.686 177.300 -0.040 0.000 1.148 252 P CA 1.364 64.434 63.100 -0.049 0.000 0.803 252 P CB 0.321 31.981 31.700 -0.067 0.000 0.782 253 K N -1.742 118.614 120.400 -0.074 0.000 2.459 253 K HA 0.099 4.431 4.320 0.020 0.000 0.193 253 K C 0.095 176.743 176.600 0.080 0.000 1.030 253 K CA 0.121 56.383 56.287 -0.042 0.000 1.026 253 K CB -0.479 31.806 32.500 -0.358 0.000 0.809 253 K HN -0.007 nan 8.250 nan 0.000 0.504 254 C N 2.263 121.572 119.300 0.015 0.000 3.896 254 C HA -0.133 4.339 4.460 0.020 0.000 0.300 254 C C 1.103 176.114 174.990 0.035 0.000 1.322 254 C CA 0.262 59.279 59.018 -0.001 0.000 2.130 254 C CB -2.008 25.703 27.740 -0.049 0.000 1.363 254 C HN 0.498 nan 8.230 nan 0.000 0.642 255 K N 0.782 121.220 120.400 0.063 0.000 2.515 255 K HA -0.106 4.227 4.320 0.020 0.000 0.196 255 K C 1.864 178.471 176.600 0.011 0.000 1.038 255 K CA 1.349 57.695 56.287 0.098 0.000 0.967 255 K CB -0.016 32.526 32.500 0.070 0.000 0.780 255 K HN 0.926 nan 8.250 nan 0.000 0.483 256 S N 0.606 116.296 115.700 -0.017 0.000 2.489 256 S HA -0.040 4.442 4.470 0.020 0.000 0.228 256 S C 1.561 176.129 174.600 -0.054 0.000 0.995 256 S CA 0.661 58.842 58.200 -0.032 0.000 0.934 256 S CB 0.123 63.307 63.200 -0.026 0.000 0.771 256 S HN 0.251 nan 8.310 nan 0.000 0.522 257 K N -0.148 120.203 120.400 -0.082 0.000 2.424 257 K HA 0.429 4.761 4.320 0.020 0.000 0.198 257 K C -0.145 176.327 176.600 -0.214 0.000 1.190 257 K CA 0.156 56.366 56.287 -0.128 0.000 0.935 257 K CB 0.536 32.951 32.500 -0.142 0.000 1.087 257 K HN 0.328 nan 8.250 nan 0.000 0.524 258 I N 2.270 122.699 120.570 -0.236 0.000 2.354 258 I HA 0.137 4.319 4.170 0.020 0.000 0.292 258 I C -0.486 175.407 176.117 -0.373 0.000 0.989 258 I CA -0.887 60.164 61.300 -0.414 0.000 1.188 258 I CB 1.238 38.891 38.000 -0.579 0.000 1.342 258 I HN 0.074 nan 8.210 nan 0.000 0.457 259 N N 5.382 123.841 118.700 -0.402 0.000 2.444 259 N HA 0.132 4.885 4.740 0.020 0.000 0.271 259 N C -0.491 174.785 175.510 -0.389 0.000 1.069 259 N CA -0.041 52.852 53.050 -0.262 0.000 0.965 259 N CB 0.863 39.236 38.487 -0.189 0.000 1.092 259 N HN 0.455 nan 8.380 nan 0.000 0.476 260 Y N 2.626 122.878 120.300 -0.081 0.000 2.571 260 Y HA 0.216 4.778 4.550 0.020 0.000 0.275 260 Y C 1.705 177.595 175.900 -0.017 0.000 1.179 260 Y CA 0.480 58.550 58.100 -0.049 0.000 1.242 260 Y CB 0.036 38.474 38.460 -0.037 0.000 1.126 260 Y HN 0.846 nan 8.280 nan 0.000 0.524 261 G N 0.653 109.486 108.800 0.056 0.000 2.583 261 G HA2 0.041 4.013 3.960 0.020 0.000 0.292 261 G HA3 0.041 4.013 3.960 0.020 0.000 0.292 261 G C 0.363 175.378 174.900 0.192 0.000 1.203 261 G CA 0.044 45.204 45.100 0.101 0.000 0.987 261 G HN 1.282 nan 8.290 nan 0.000 0.554 262 G N -1.865 107.026 108.800 0.153 0.000 2.515 262 G HA2 0.440 4.412 3.960 0.020 0.000 0.686 262 G HA3 0.440 4.412 3.960 0.020 0.000 0.686 262 G C -0.943 173.982 174.900 0.041 0.000 1.274 262 G CA 0.530 45.711 45.100 0.135 0.000 0.874 262 G HN 1.266 nan 8.290 nan 0.000 0.631 263 D N -0.299 120.078 120.400 -0.038 0.000 2.389 263 D HA 0.451 5.103 4.640 0.020 0.000 0.247 263 D C 0.792 176.891 176.300 -0.335 0.000 1.128 263 D CA 0.102 54.023 54.000 -0.131 0.000 0.884 263 D CB 0.975 41.726 40.800 -0.082 0.000 1.194 263 D HN 0.417 nan 8.370 nan 0.000 0.441 264 I N 4.445 124.781 120.570 -0.390 0.000 2.452 264 I HA 0.133 4.315 4.170 0.020 0.000 0.287 264 I C -1.915 174.078 176.117 -0.207 0.000 1.079 264 I CA -1.642 59.300 61.300 -0.597 0.000 1.387 264 I CB 0.305 38.115 38.000 -0.317 0.000 1.404 264 I HN 0.154 nan 8.210 nan 0.000 0.522 265 P HA 0.033 nan 4.420 nan 0.000 0.265 265 P C 0.476 177.772 177.300 -0.007 0.000 1.193 265 P CA -0.244 62.864 63.100 0.012 0.000 0.765 265 P CB 0.405 32.212 31.700 0.178 0.000 0.823 266 R N 4.989 125.341 120.500 -0.246 0.000 2.170 266 R HA -0.231 4.121 4.340 0.020 0.000 0.242 266 R C 1.428 177.579 176.300 -0.248 0.000 1.145 266 R CA 1.804 57.582 56.100 -0.537 0.000 0.984 266 R CB -0.754 29.279 30.300 -0.445 0.000 0.869 266 R HN 0.439 nan 8.270 nan 0.000 0.455 267 K N -0.065 120.262 120.400 -0.123 0.000 2.281 267 K HA -0.175 4.157 4.320 0.020 0.000 0.203 267 K C 0.965 177.502 176.600 -0.105 0.000 1.046 267 K CA 1.502 57.706 56.287 -0.138 0.000 0.938 267 K CB -0.318 32.051 32.500 -0.218 0.000 0.737 267 K HN 0.344 nan 8.250 nan 0.000 0.458 268 Y N 0.529 120.879 120.300 0.084 0.000 2.519 268 Y HA 0.085 4.648 4.550 0.021 0.000 0.287 268 Y C 0.491 176.551 175.900 0.267 0.000 1.128 268 Y CA -0.306 57.892 58.100 0.163 0.000 1.282 268 Y CB -0.113 38.448 38.460 0.168 0.000 1.027 268 Y HN -0.065 nan 8.280 nan 0.000 0.551 269 Y N 0.231 120.637 120.300 0.176 0.000 2.702 269 Y HA 0.079 4.642 4.550 0.020 0.000 0.336 269 Y C 1.315 177.272 175.900 0.095 0.000 1.235 269 Y CA -0.259 57.926 58.100 0.142 0.000 1.492 269 Y CB 0.789 39.310 38.460 0.102 0.000 1.308 269 Y HN -0.113 nan 8.280 nan 0.000 0.589 270 V N 0.096 120.135 119.914 0.209 0.000 3.432 270 V HA 0.353 4.486 4.120 0.020 0.000 0.298 270 V C -0.205 175.932 176.094 0.071 0.000 1.464 270 V CA -0.071 62.303 62.300 0.124 0.000 1.046 270 V CB 0.088 31.975 31.823 0.107 0.000 0.887 270 V HN 0.841 nan 8.190 nan 0.000 0.441 271 R N -1.249 119.277 120.500 0.043 0.000 2.712 271 R HA 0.446 4.798 4.340 0.020 0.000 0.272 271 R C -0.725 175.438 176.300 -0.228 0.000 1.032 271 R CA -0.240 55.821 56.100 -0.066 0.000 0.874 271 R CB 1.088 31.346 30.300 -0.069 0.000 1.256 271 R HN -0.045 nan 8.270 nan 0.000 0.468 272 D N 0.158 120.360 120.400 -0.330 0.000 2.398 272 D HA 0.066 4.718 4.640 0.020 0.000 0.210 272 D C -0.692 175.013 176.300 -0.992 0.000 1.094 272 D CA 0.575 54.271 54.000 -0.507 0.000 0.839 272 D CB 0.838 41.518 40.800 -0.200 0.000 0.963 272 D HN 0.538 nan 8.370 nan 0.000 0.506 273 Q N -0.573 118.720 119.800 -0.845 0.000 2.647 273 Q HA 0.365 4.718 4.340 0.020 0.000 0.283 273 Q C -0.863 175.066 176.000 -0.119 0.000 0.943 273 Q CA -1.024 54.458 55.803 -0.536 0.000 0.813 273 Q CB 1.518 30.152 28.738 -0.174 0.000 1.477 273 Q HN -0.134 nan 8.270 nan 0.000 0.393 274 V N -1.580 118.458 119.914 0.207 0.000 2.973 274 V HA 0.551 4.684 4.120 0.020 0.000 0.314 274 V C -0.120 176.028 176.094 0.091 0.000 1.066 274 V CA -1.094 61.318 62.300 0.187 0.000 1.021 274 V CB 1.063 33.035 31.823 0.247 0.000 1.076 274 V HN 0.757 nan 8.190 nan 0.000 0.462 275 K N 1.579 122.007 120.400 0.046 0.000 2.489 275 K HA 0.302 4.635 4.320 0.020 0.000 0.278 275 K C -0.338 176.251 176.600 -0.019 0.000 1.000 275 K CA 0.430 56.727 56.287 0.016 0.000 1.012 275 K CB 0.239 32.742 32.500 0.004 0.000 0.903 275 K HN 0.780 nan 8.250 nan 0.000 0.485 276 Q N 2.037 121.817 119.800 -0.034 0.000 2.345 276 Q HA 0.227 4.580 4.340 0.020 0.000 0.275 276 Q C -1.716 174.140 176.000 -0.239 0.000 1.063 276 Q CA -0.493 55.214 55.803 -0.161 0.000 0.819 276 Q CB 1.882 30.530 28.738 -0.149 0.000 1.356 276 Q HN 0.508 nan 8.270 nan 0.000 0.418 277 Q N 1.609 121.168 119.800 -0.401 0.000 2.399 277 Q HA 0.606 4.958 4.340 0.020 0.000 0.276 277 Q C -1.309 174.323 176.000 -0.613 0.000 1.098 277 Q CA -0.828 54.791 55.803 -0.308 0.000 0.827 277 Q CB 2.158 30.809 28.738 -0.144 0.000 1.386 277 Q HN 0.595 nan 8.270 nan 0.000 0.443 278 Y N -0.440 119.836 120.300 -0.039 0.000 2.536 278 Y HA 0.216 4.779 4.550 0.021 0.000 0.347 278 Y C 0.651 176.453 175.900 -0.164 0.000 1.000 278 Y CA -0.803 57.261 58.100 -0.060 0.000 1.051 278 Y CB 1.574 40.015 38.460 -0.030 0.000 1.259 278 Y HN 0.636 nan 8.280 nan 0.000 0.468 279 E N 0.594 120.726 120.200 -0.114 0.000 2.371 279 E HA 0.002 4.364 4.350 0.020 0.000 0.194 279 E C -0.392 175.732 176.600 -0.793 0.000 1.012 279 E CA 0.717 56.863 56.400 -0.422 0.000 0.860 279 E CB 0.203 29.624 29.700 -0.465 0.000 0.811 279 E HN 0.478 nan 8.360 nan 0.000 0.502 280 H N -0.962 117.915 119.070 -0.323 0.000 2.980 280 H HA 0.450 5.018 4.556 0.020 0.000 0.367 280 H C -1.078 173.898 175.328 -0.586 0.000 1.206 280 H CA -0.650 55.058 56.048 -0.566 0.000 1.126 280 H CB 2.158 31.269 29.762 -1.085 0.000 1.838 280 H HN -0.144 nan 8.280 nan 0.000 0.552 281 S N 1.078 116.625 115.700 -0.255 0.000 2.572 281 S HA 0.561 5.043 4.470 0.020 0.000 0.274 281 S C -1.088 173.436 174.600 -0.128 0.000 1.150 281 S CA -0.584 57.509 58.200 -0.179 0.000 0.944 281 S CB 0.769 63.900 63.200 -0.116 0.000 1.071 281 S HN 0.571 nan 8.310 nan 0.000 0.479 282 V N 2.381 122.213 119.914 -0.137 0.000 3.040 282 V HA 0.746 4.879 4.120 0.020 0.000 0.312 282 V C -0.934 175.051 176.094 -0.183 0.000 1.115 282 V CA -0.864 61.311 62.300 -0.207 0.000 0.998 282 V CB 1.764 33.311 31.823 -0.460 0.000 1.042 282 V HN 0.923 nan 8.190 nan 0.000 0.433 283 Q N 2.346 122.047 119.800 -0.164 0.000 2.348 283 Q HA 0.645 4.997 4.340 0.020 0.000 0.265 283 Q C -1.492 174.420 176.000 -0.148 0.000 0.998 283 Q CA -0.638 55.075 55.803 -0.150 0.000 0.831 283 Q CB 1.593 30.253 28.738 -0.130 0.000 1.251 283 Q HN 0.863 nan 8.270 nan 0.000 0.456 284 I N 3.087 123.568 120.570 -0.149 0.000 2.321 284 I HA 0.246 4.429 4.170 0.020 0.000 0.291 284 I C 0.117 176.132 176.117 -0.169 0.000 0.998 284 I CA -0.613 60.623 61.300 -0.106 0.000 1.227 284 I CB 1.762 39.733 38.000 -0.048 0.000 1.368 284 I HN 0.590 nan 8.210 nan 0.000 0.466 285 S N 5.614 121.230 115.700 -0.140 0.000 2.589 285 S HA 0.180 4.662 4.470 0.020 0.000 0.265 285 S C 0.308 174.918 174.600 0.017 0.000 1.342 285 S CA -0.717 57.401 58.200 -0.137 0.000 1.005 285 S CB 0.396 63.649 63.200 0.088 0.000 0.909 285 S HN 0.657 nan 8.310 nan 0.000 0.555 286 R N 0.308 120.958 120.500 0.250 0.000 2.640 286 R HA 0.363 4.715 4.340 0.020 0.000 0.270 286 R C 0.991 177.342 176.300 0.084 0.000 1.024 286 R CA 0.369 56.557 56.100 0.147 0.000 1.085 286 R CB -0.716 29.723 30.300 0.232 0.000 0.963 286 R HN 0.900 nan 8.270 nan 0.000 0.426 287 G N 1.058 109.861 108.800 0.005 0.000 2.187 287 G HA2 -0.360 3.612 3.960 0.020 0.000 0.261 287 G HA3 -0.360 3.612 3.960 0.020 0.000 0.261 287 G C 0.058 174.958 174.900 0.000 0.000 1.000 287 G CA 0.789 45.888 45.100 -0.003 0.000 0.718 287 G HN 0.821 nan 8.290 nan 0.000 0.519 288 S N -1.419 114.278 115.700 -0.005 0.000 2.795 288 S HA 0.935 5.418 4.470 0.020 0.000 0.308 288 S C 0.279 174.885 174.600 0.010 0.000 1.098 288 S CA 0.897 59.102 58.200 0.008 0.000 0.934 288 S CB 1.761 64.976 63.200 0.024 0.000 1.300 288 S HN 1.829 nan 8.310 nan 0.000 0.566 289 S N -0.072 115.646 115.700 0.030 0.000 2.636 289 S HA 0.500 4.983 4.470 0.020 0.000 0.268 289 S C -1.694 172.975 174.600 0.116 0.000 1.159 289 S CA -0.800 57.437 58.200 0.062 0.000 0.815 289 S CB 1.275 64.482 63.200 0.013 0.000 1.130 289 S HN 0.863 nan 8.310 nan 0.000 0.471 290 H N 0.583 119.681 119.070 0.046 0.000 2.877 290 H HA 0.419 4.988 4.556 0.020 0.000 0.347 290 H C -1.505 173.846 175.328 0.038 0.000 1.042 290 H CA -0.327 55.753 56.048 0.054 0.000 1.276 290 H CB 1.817 31.634 29.762 0.092 0.000 1.681 290 H HN 0.750 nan 8.280 nan 0.000 0.521 291 Q N 3.411 122.876 119.800 -0.559 0.000 2.256 291 Q HA 0.472 4.824 4.340 0.020 0.000 0.257 291 Q C -0.845 174.880 176.000 -0.459 0.000 0.936 291 Q CA -1.132 54.429 55.803 -0.402 0.000 0.903 291 Q CB 3.024 31.592 28.738 -0.283 0.000 1.263 291 Q HN 0.290 nan 8.270 nan 0.000 0.440 292 V N 2.294 122.075 119.914 -0.223 0.000 2.444 292 V HA 0.295 4.427 4.120 0.020 0.000 0.294 292 V C -0.479 175.582 176.094 -0.055 0.000 1.022 292 V CA -0.759 61.482 62.300 -0.098 0.000 0.850 292 V CB 1.705 33.552 31.823 0.040 0.000 0.992 292 V HN 0.736 nan 8.190 nan 0.000 0.426 293 E N 3.435 123.546 120.200 -0.149 0.000 2.191 293 E HA 0.625 4.987 4.350 0.020 0.000 0.278 293 E C -1.784 174.644 176.600 -0.287 0.000 0.972 293 E CA -0.580 55.752 56.400 -0.113 0.000 0.804 293 E CB 2.158 31.794 29.700 -0.107 0.000 1.110 293 E HN 0.641 nan 8.360 nan 0.000 0.394 294 Y N 0.668 121.011 120.300 0.072 0.000 2.396 294 Y HA 0.144 4.707 4.550 0.021 0.000 0.332 294 Y C -0.274 175.680 175.900 0.090 0.000 1.034 294 Y CA -0.826 57.321 58.100 0.077 0.000 1.057 294 Y CB 1.899 40.410 38.460 0.085 0.000 1.220 294 Y HN 0.481 nan 8.280 nan 0.000 0.440 295 E N 3.504 123.807 120.200 0.172 0.000 2.229 295 E HA 0.467 4.829 4.350 0.020 0.000 0.283 295 E C -1.428 175.220 176.600 0.080 0.000 1.030 295 E CA -0.520 55.948 56.400 0.113 0.000 0.836 295 E CB 0.625 30.343 29.700 0.030 0.000 1.068 295 E HN 0.502 nan 8.360 nan 0.000 0.401 296 I N 5.993 126.627 120.570 0.106 0.000 2.382 296 I HA 0.111 4.293 4.170 0.020 0.000 0.285 296 I C 0.174 176.281 176.117 -0.017 0.000 1.007 296 I CA -0.223 61.081 61.300 0.007 0.000 1.142 296 I CB 1.498 39.469 38.000 -0.048 0.000 1.289 296 I HN 0.673 nan 8.210 nan 0.000 0.453 297 L N 6.864 127.957 121.223 -0.217 0.000 2.445 297 L HA 0.481 4.834 4.340 0.020 0.000 0.207 297 L C 0.241 177.068 176.870 -0.072 0.000 1.053 297 L CA 0.912 55.615 54.840 -0.227 0.000 0.841 297 L CB 0.028 41.814 42.059 -0.455 0.000 1.074 297 L HN 0.250 nan 8.230 nan 0.000 0.479 298 F N 2.988 122.971 119.950 0.056 0.000 2.427 298 F HA 0.375 4.914 4.527 0.021 0.000 0.352 298 F C -1.640 174.188 175.800 0.046 0.000 1.100 298 F CA -2.433 55.594 58.000 0.046 0.000 1.191 298 F CB 0.062 39.084 39.000 0.037 0.000 1.128 298 F HN 0.038 nan 8.300 nan 0.000 0.533 299 P HA 0.146 nan 4.420 nan 0.000 0.274 299 P C 0.552 177.931 177.300 0.130 0.000 1.231 299 P CA 0.219 63.410 63.100 0.151 0.000 0.790 299 P CB 1.276 33.050 31.700 0.124 0.000 0.951 300 G N 0.220 109.079 108.800 0.099 0.000 2.157 300 G HA2 -0.215 3.757 3.960 0.020 0.000 0.248 300 G HA3 -0.215 3.757 3.960 0.020 0.000 0.248 300 G C 0.213 175.156 174.900 0.072 0.000 0.979 300 G CA -0.105 45.045 45.100 0.083 0.000 0.650 300 G HN 0.697 nan 8.290 nan 0.000 0.529 301 C N -0.041 119.300 119.300 0.067 0.000 2.595 301 C HA 0.653 5.125 4.460 0.020 0.000 0.384 301 C C 0.942 175.934 174.990 0.003 0.000 1.289 301 C CA -0.363 58.678 59.018 0.038 0.000 2.372 301 C CB 1.293 29.045 27.740 0.021 0.000 2.593 301 C HN 0.432 nan 8.230 nan 0.000 0.639 302 V N 3.328 123.242 119.914 -0.001 0.000 2.531 302 V HA 0.362 4.494 4.120 0.020 0.000 0.301 302 V C -0.275 175.817 176.094 -0.003 0.000 1.034 302 V CA -0.330 61.971 62.300 0.002 0.000 0.865 302 V CB 1.541 33.373 31.823 0.015 0.000 0.995 302 V HN 0.662 nan 8.190 nan 0.000 0.424 303 L N 5.207 126.448 121.223 0.030 0.000 2.305 303 L HA 0.591 4.943 4.340 0.020 0.000 0.281 303 L C 0.278 177.252 176.870 0.173 0.000 1.085 303 L CA -0.064 54.839 54.840 0.103 0.000 0.813 303 L CB 0.951 43.122 42.059 0.186 0.000 1.157 303 L HN 0.604 nan 8.230 nan 0.000 0.436 304 R N 3.635 124.213 120.500 0.131 0.000 2.561 304 R HA 0.535 4.887 4.340 0.020 0.000 0.297 304 R C -1.796 174.620 176.300 0.194 0.000 0.969 304 R CA -0.603 55.494 56.100 -0.005 0.000 0.879 304 R CB 1.658 31.936 30.300 -0.037 0.000 1.178 304 R HN 0.618 nan 8.270 nan 0.000 0.445 305 W N 1.857 123.226 121.300 0.114 0.000 3.075 305 W HA 0.520 5.193 4.660 0.021 0.000 0.334 305 W C -1.870 174.752 176.519 0.172 0.000 1.243 305 W CA -0.826 56.627 57.345 0.180 0.000 1.170 305 W CB 1.180 30.776 29.460 0.226 0.000 1.452 305 W HN 0.397 nan 8.180 nan 0.000 0.572 306 Q N 1.837 121.952 119.800 0.524 0.000 2.309 306 Q HA 0.613 4.966 4.340 0.020 0.000 0.273 306 Q C -1.266 175.134 176.000 0.666 0.000 1.040 306 Q CA -0.812 55.238 55.803 0.413 0.000 0.834 306 Q CB 2.934 31.865 28.738 0.323 0.000 1.345 306 Q HN 0.557 nan 8.270 nan 0.000 0.414 310 D N 0.898 121.316 120.400 0.029 0.000 2.317 310 D HA 0.531 5.184 4.640 0.020 0.000 0.234 310 D C 1.332 177.654 176.300 0.037 0.000 1.112 310 D CA 1.137 55.158 54.000 0.036 0.000 0.840 310 D CB 1.072 41.871 40.800 -0.002 0.000 1.078 310 D HN 1.239 nan 8.370 nan 0.000 0.486 311 G N 2.170 111.025 108.800 0.091 0.000 2.302 311 G HA2 -0.193 3.779 3.960 0.020 0.000 0.263 311 G HA3 -0.193 3.779 3.960 0.020 0.000 0.263 311 G C 0.377 175.255 174.900 -0.037 0.000 0.995 311 G CA 0.511 45.656 45.100 0.075 0.000 0.622 311 G HN 0.885 nan 8.290 nan 0.000 0.538 312 A N -0.344 122.359 122.820 -0.195 0.000 2.606 312 A HA 0.658 4.990 4.320 0.020 0.000 0.293 312 A C -0.294 176.998 177.584 -0.487 0.000 1.082 312 A CA 0.374 52.111 52.037 -0.500 0.000 0.685 312 A CB 0.996 19.878 19.000 -0.196 0.000 1.284 312 A HN 0.858 nan 8.150 nan 0.000 0.408 313 D N 0.080 120.208 120.400 -0.453 0.000 2.384 313 D HA 0.486 5.138 4.640 0.020 0.000 0.244 313 D C -0.091 176.335 176.300 0.211 0.000 1.251 313 D CA -0.203 53.830 54.000 0.055 0.000 0.961 313 D CB 1.264 42.172 40.800 0.179 0.000 1.116 313 D HN 0.979 nan 8.370 nan 0.000 0.484 314 V N -1.587 118.544 119.914 0.362 0.000 3.120 314 V HA 0.642 4.775 4.120 0.020 0.000 0.303 314 V C -0.160 176.230 176.094 0.493 0.000 1.238 314 V CA -0.314 62.229 62.300 0.404 0.000 1.008 314 V CB 1.935 33.939 31.823 0.302 0.000 1.064 314 V HN 0.909 nan 8.190 nan 0.000 0.434 315 G N 2.508 111.611 108.800 0.505 0.000 2.448 315 G HA2 0.652 4.624 3.960 0.020 0.000 0.285 315 G HA3 0.652 4.624 3.960 0.020 0.000 0.285 315 G C -1.514 173.636 174.900 0.417 0.000 1.176 315 G CA -0.232 45.129 45.100 0.434 0.000 0.852 315 G HN 0.944 nan 8.290 nan 0.000 0.530 316 F N 0.633 120.720 119.950 0.228 0.000 2.615 316 F HA 0.673 5.212 4.527 0.020 0.000 0.312 316 F C -0.087 175.724 175.800 0.019 0.000 1.119 316 F CA -0.321 57.654 58.000 -0.042 0.000 0.979 316 F CB 2.019 40.915 39.000 -0.173 0.000 1.266 316 F HN 0.904 nan 8.300 nan 0.000 0.444 317 G N 5.165 113.382 108.800 -0.972 0.000 2.673 317 G HA2 0.612 4.584 3.960 0.020 0.000 0.292 317 G HA3 0.612 4.584 3.960 0.020 0.000 0.292 317 G C -2.238 172.082 174.900 -0.968 0.000 1.450 317 G CA -0.791 43.837 45.100 -0.787 0.000 0.837 317 G HN 0.705 nan 8.290 nan 0.000 0.505 318 I N 0.341 120.388 120.570 -0.872 0.000 2.465 318 I HA 0.584 4.766 4.170 0.020 0.000 0.291 318 I C -0.997 174.766 176.117 -0.591 0.000 1.014 318 I CA -0.606 60.355 61.300 -0.565 0.000 1.093 318 I CB 1.907 39.664 38.000 -0.406 0.000 1.267 318 I HN 0.278 nan 8.210 nan 0.000 0.431 319 F N 5.380 125.203 119.950 -0.211 0.000 2.631 319 F HA 0.614 5.153 4.527 0.021 0.000 0.328 319 F C -0.614 175.044 175.800 -0.236 0.000 1.067 319 F CA -1.020 56.866 58.000 -0.189 0.000 0.969 319 F CB 1.433 40.326 39.000 -0.178 0.000 1.332 319 F HN 0.131 nan 8.300 nan 0.000 0.490 320 L N 2.105 123.286 121.223 -0.069 0.000 2.333 320 L HA 0.483 4.835 4.340 0.020 0.000 0.280 320 L C -0.261 176.535 176.870 -0.124 0.000 1.004 320 L CA -0.580 54.102 54.840 -0.263 0.000 0.820 320 L CB 1.128 42.964 42.059 -0.372 0.000 1.247 320 L HN 0.485 nan 8.230 nan 0.000 0.416 327 R N 3.435 123.895 120.500 -0.066 0.000 2.435 327 R HA 0.096 4.448 4.340 0.020 0.000 0.325 327 R C -0.135 176.110 176.300 -0.091 0.000 1.149 327 R CA 0.603 56.653 56.100 -0.083 0.000 0.995 327 R CB -0.404 29.852 30.300 -0.073 0.000 1.008 327 R HN 0.036 nan 8.270 nan 0.000 0.470 328 Q N 3.079 122.812 119.800 -0.112 0.000 2.205 328 Q HA 0.371 4.723 4.340 0.020 0.000 0.249 328 Q C -0.187 175.715 176.000 -0.163 0.000 0.948 328 Q CA -0.936 54.794 55.803 -0.121 0.000 0.895 328 Q CB 1.731 30.397 28.738 -0.119 0.000 1.249 328 Q HN 0.402 nan 8.270 nan 0.000 0.458 329 R N 0.087 120.497 120.500 -0.151 0.000 2.582 329 R HA 0.204 4.556 4.340 0.020 0.000 0.271 329 R C 1.005 177.142 176.300 -0.270 0.000 1.078 329 R CA 0.208 56.201 56.100 -0.178 0.000 1.127 329 R CB 0.423 30.651 30.300 -0.121 0.000 1.038 329 R HN 0.844 nan 8.270 nan 0.000 0.500 330 A N 2.221 124.811 122.820 -0.383 0.000 1.917 330 A HA -0.176 4.157 4.320 0.020 0.000 0.219 330 A C 2.141 179.536 177.584 -0.314 0.000 1.182 330 A CA 2.090 53.730 52.037 -0.661 0.000 0.633 330 A CB -1.169 17.415 19.000 -0.693 0.000 0.819 330 A HN 0.939 nan 8.150 nan 0.000 0.448 331 G N -0.505 108.204 108.800 -0.152 0.000 2.470 331 G HA2 -0.035 3.937 3.960 0.020 0.000 0.220 331 G HA3 -0.035 3.937 3.960 0.020 0.000 0.220 331 G C 0.754 175.625 174.900 -0.049 0.000 1.121 331 G CA 0.752 45.819 45.100 -0.055 0.000 0.766 331 G HN 0.697 nan 8.290 nan 0.000 0.553 335 E N 2.531 122.733 120.200 0.004 0.000 2.217 335 E HA 0.360 4.722 4.350 0.020 0.000 0.279 335 E C 0.512 176.961 176.600 -0.251 0.000 1.068 335 E CA -0.282 55.961 56.400 -0.262 0.000 0.882 335 E CB 0.565 30.134 29.700 -0.219 0.000 1.039 335 E HN 0.412 nan 8.360 nan 0.000 0.418 336 V N 4.979 124.699 119.914 -0.323 0.000 2.795 336 V HA 0.049 4.181 4.120 0.020 0.000 0.243 336 V C 0.252 176.253 176.094 -0.154 0.000 1.069 336 V CA 0.213 62.416 62.300 -0.161 0.000 1.089 336 V CB 0.196 31.982 31.823 -0.062 0.000 0.756 336 V HN 0.536 nan 8.190 nan 0.000 0.471 337 L N 2.072 123.121 121.223 -0.291 0.000 2.415 337 L HA 0.621 4.973 4.340 0.020 0.000 0.268 337 L C -2.895 173.783 176.870 -0.319 0.000 0.984 337 L CA -2.250 52.469 54.840 -0.201 0.000 0.853 337 L CB 1.403 43.377 42.059 -0.142 0.000 1.215 337 L HN -0.044 nan 8.230 nan 0.000 0.419 338 P HA -0.068 nan 4.420 nan 0.000 0.259 338 P C -0.491 176.734 177.300 -0.125 0.000 1.163 338 P CA 0.443 63.441 63.100 -0.170 0.000 0.760 338 P CB 0.270 31.928 31.700 -0.069 0.000 0.762 339 N N 3.617 122.245 118.700 -0.120 0.000 2.458 339 N HA -0.021 4.732 4.740 0.020 0.000 0.258 339 N C -0.433 175.089 175.510 0.021 0.000 1.219 339 N CA 0.389 53.432 53.050 -0.011 0.000 0.902 339 N CB 0.464 39.010 38.487 0.099 0.000 1.076 339 N HN 0.451 nan 8.380 nan 0.000 0.455 340 Q N 2.438 122.282 119.800 0.073 0.000 2.482 340 Q HA 0.283 4.636 4.340 0.020 0.000 0.286 340 Q C -1.417 174.531 176.000 -0.087 0.000 1.007 340 Q CA -0.778 54.980 55.803 -0.075 0.000 0.801 340 Q CB 1.706 30.323 28.738 -0.202 0.000 1.455 340 Q HN 0.573 nan 8.270 nan 0.000 0.398 341 R N 1.418 121.791 120.500 -0.210 0.000 2.404 341 R HA 0.449 4.801 4.340 0.020 0.000 0.291 341 R C -1.256 174.937 176.300 -0.177 0.000 1.025 341 R CA -0.071 55.976 56.100 -0.089 0.000 0.991 341 R CB 0.812 30.997 30.300 -0.192 0.000 1.053 341 R HN 0.426 nan 8.270 nan 0.000 0.479 342 Y N 0.363 120.817 120.300 0.256 0.000 2.462 342 Y HA 0.233 4.796 4.550 0.020 0.000 0.346 342 Y C 0.308 176.385 175.900 0.296 0.000 0.976 342 Y CA -1.074 57.191 58.100 0.276 0.000 1.044 342 Y CB 1.677 40.364 38.460 0.379 0.000 1.230 342 Y HN 0.457 nan 8.280 nan 0.000 0.455 343 N N 1.271 120.203 118.700 0.386 0.000 3.243 343 N HA -0.002 4.750 4.740 0.020 0.000 0.310 343 N C 0.637 176.347 175.510 0.332 0.000 1.313 343 N CA 0.081 53.371 53.050 0.401 0.000 1.204 343 N CB 0.194 38.795 38.487 0.190 0.000 1.483 343 N HN 0.652 nan 8.380 nan 0.000 0.553 344 S N -1.032 114.921 115.700 0.423 0.000 2.595 344 S HA -0.130 4.352 4.470 0.020 0.000 0.235 344 S C 1.242 175.994 174.600 0.253 0.000 0.974 344 S CA 0.477 58.840 58.200 0.273 0.000 0.942 344 S CB -0.645 62.781 63.200 0.377 0.000 0.766 344 S HN 0.713 nan 8.310 nan 0.000 0.536 345 H N -0.621 118.524 119.070 0.125 0.000 2.562 345 H HA 0.427 4.995 4.556 0.020 0.000 0.267 345 H C 1.658 177.025 175.328 0.065 0.000 0.959 345 H CA 0.041 56.140 56.048 0.085 0.000 1.204 345 H CB -0.120 29.692 29.762 0.084 0.000 1.430 345 H HN 0.309 nan 8.280 nan 0.000 0.545 346 L N 0.361 121.354 121.223 -0.383 0.000 2.269 346 L HA 0.247 4.599 4.340 0.020 0.000 0.200 346 L C -0.074 176.726 176.870 -0.116 0.000 1.069 346 L CA -0.015 54.640 54.840 -0.308 0.000 0.804 346 L CB 0.722 42.548 42.059 -0.389 0.000 0.987 346 L HN 0.087 nan 8.230 nan 0.000 0.468 347 V N 0.345 120.220 119.914 -0.065 0.000 2.525 347 V HA 0.342 4.474 4.120 0.020 0.000 0.299 347 V C -2.386 173.706 176.094 -0.003 0.000 1.034 347 V CA -1.613 60.670 62.300 -0.029 0.000 0.863 347 V CB 1.578 33.386 31.823 -0.025 0.000 0.999 347 V HN -0.035 nan 8.190 nan 0.000 0.423 348 P HA 0.099 nan 4.420 nan 0.000 0.264 348 P C -0.536 176.722 177.300 -0.070 0.000 1.183 348 P CA 0.213 63.331 63.100 0.030 0.000 0.763 348 P CB 0.594 32.379 31.700 0.141 0.000 0.807 349 E N 2.353 122.379 120.200 -0.291 0.000 2.242 349 E HA 0.405 4.767 4.350 0.020 0.000 0.275 349 E C -1.000 175.379 176.600 -0.368 0.000 1.002 349 E CA -0.455 55.649 56.400 -0.493 0.000 0.841 349 E CB 0.619 29.608 29.700 -1.185 0.000 1.109 349 E HN 0.481 nan 8.360 nan 0.000 0.394 350 D N 1.212 121.459 120.400 -0.254 0.000 2.753 350 D HA 0.746 5.398 4.640 0.020 0.000 0.224 350 D C -0.456 175.579 176.300 -0.442 0.000 1.213 350 D CA -0.876 52.984 54.000 -0.232 0.000 0.833 350 D CB 1.491 42.303 40.800 0.020 0.000 1.607 350 D HN 0.555 nan 8.370 nan 0.000 0.463 351 G N -0.412 107.766 108.800 -1.037 0.000 2.600 351 G HA2 0.726 4.698 3.960 0.020 0.000 0.293 351 G HA3 0.726 4.698 3.960 0.020 0.000 0.293 351 G C -1.294 172.589 174.900 -1.694 0.000 1.408 351 G CA -0.484 43.895 45.100 -1.202 0.000 0.782 351 G HN 1.083 nan 8.290 nan 0.000 0.482 352 T N -2.482 111.407 114.554 -1.108 0.000 2.894 352 T HA 0.698 5.060 4.350 0.020 0.000 0.309 352 T C -1.652 173.009 174.700 -0.066 0.000 1.208 352 T CA -0.700 61.048 62.100 -0.586 0.000 1.016 352 T CB 2.013 70.732 68.868 -0.249 0.000 1.192 352 T HN 1.450 nan 8.240 nan 0.000 0.491 353 L N 1.082 122.417 121.223 0.186 0.000 2.470 353 L HA 0.650 5.002 4.340 0.020 0.000 0.268 353 L C -0.556 176.392 176.870 0.130 0.000 0.964 353 L CA -0.123 54.872 54.840 0.257 0.000 0.839 353 L CB 2.355 44.664 42.059 0.416 0.000 1.276 353 L HN 0.937 nan 8.230 nan 0.000 0.403 354 T N 3.747 118.360 114.554 0.100 0.000 2.794 354 T HA 0.233 4.596 4.350 0.020 0.000 0.296 354 T C -0.197 174.543 174.700 0.066 0.000 0.949 354 T CA -0.031 62.110 62.100 0.067 0.000 1.101 354 T CB -0.061 68.849 68.868 0.070 0.000 0.905 354 T HN 0.688 nan 8.240 nan 0.000 0.516 355 C N 4.352 123.660 119.300 0.013 0.000 2.135 355 C HA 0.249 4.721 4.460 0.020 0.000 0.345 355 C C 2.179 177.229 174.990 0.099 0.000 1.067 355 C CA -0.777 58.247 59.018 0.010 0.000 1.517 355 C CB -1.582 25.983 27.740 -0.291 0.000 1.923 355 C HN 1.121 nan 8.230 nan 0.000 0.466 356 S N 1.349 117.132 115.700 0.139 0.000 2.345 356 S HA -0.073 4.410 4.470 0.020 0.000 0.220 356 S C 0.187 174.871 174.600 0.141 0.000 1.031 356 S CA 0.989 59.262 58.200 0.122 0.000 0.996 356 S CB -0.214 63.047 63.200 0.102 0.000 0.882 356 S HN 0.718 nan 8.310 nan 0.000 0.445 357 D N 3.990 124.495 120.400 0.175 0.000 2.295 357 D HA 0.512 5.165 4.640 0.020 0.000 0.248 357 D C -2.465 173.968 176.300 0.222 0.000 1.154 357 D CA -1.749 52.342 54.000 0.153 0.000 0.857 357 D CB 0.977 41.831 40.800 0.091 0.000 1.117 357 D HN 0.205 nan 8.370 nan 0.000 0.468 358 P HA 0.401 nan 4.420 nan 0.000 0.271 358 P C 0.267 177.663 177.300 0.160 0.000 1.244 358 P CA -0.087 63.120 63.100 0.179 0.000 0.793 358 P CB 0.720 32.484 31.700 0.107 0.000 0.984 359 G N -0.418 108.482 108.800 0.167 0.000 2.340 359 G HA2 0.142 4.114 3.960 0.020 0.000 0.282 359 G HA3 0.142 4.114 3.960 0.020 0.000 0.282 359 G C -1.829 173.147 174.900 0.127 0.000 1.312 359 G CA -0.795 44.347 45.100 0.071 0.000 0.942 359 G HN 0.371 nan 8.290 nan 0.000 0.495 360 I N 1.470 122.053 120.570 0.021 0.000 2.306 360 I HA 0.367 4.549 4.170 0.020 0.000 0.288 360 I C -0.565 175.570 176.117 0.030 0.000 1.036 360 I CA -0.835 60.505 61.300 0.067 0.000 1.221 360 I CB 0.057 38.062 38.000 0.008 0.000 1.385 360 I HN 0.341 nan 8.210 nan 0.000 0.472 361 Y N 5.050 125.380 120.300 0.050 0.000 2.299 361 Y HA 0.383 4.946 4.550 0.021 0.000 0.326 361 Y C 0.500 176.432 175.900 0.054 0.000 1.164 361 Y CA -0.468 57.663 58.100 0.053 0.000 1.234 361 Y CB 1.394 39.893 38.460 0.065 0.000 1.219 361 Y HN 0.203 nan 8.280 nan 0.000 0.497 362 V N 5.564 125.557 119.914 0.132 0.000 2.407 362 V HA 0.294 4.426 4.120 0.020 0.000 0.291 362 V C -0.716 175.369 176.094 -0.014 0.000 1.018 362 V CA -0.885 61.443 62.300 0.047 0.000 0.842 362 V CB 1.257 33.064 31.823 -0.026 0.000 0.996 362 V HN 0.455 nan 8.190 nan 0.000 0.426 363 L N 5.499 126.668 121.223 -0.090 0.000 2.276 363 L HA 0.565 4.917 4.340 0.020 0.000 0.286 363 L C 0.332 176.947 176.870 -0.425 0.000 1.061 363 L CA 0.246 54.876 54.840 -0.351 0.000 0.807 363 L CB 0.818 42.713 42.059 -0.272 0.000 1.177 363 L HN 0.583 nan 8.230 nan 0.000 0.429 364 R N 3.441 123.620 120.500 -0.535 0.000 2.360 364 R HA 0.456 4.809 4.340 0.020 0.000 0.318 364 R C -1.394 174.642 176.300 -0.440 0.000 0.950 364 R CA -0.525 55.352 56.100 -0.373 0.000 0.837 364 R CB 0.665 30.847 30.300 -0.196 0.000 1.165 364 R HN 0.344 nan 8.270 nan 0.000 0.458 365 F N 2.889 122.795 119.950 -0.073 0.000 2.424 365 F HA 0.174 4.713 4.527 0.020 0.000 0.356 365 F C 0.457 176.270 175.800 0.021 0.000 1.110 365 F CA -0.250 57.739 58.000 -0.020 0.000 1.161 365 F CB 1.174 40.138 39.000 -0.060 0.000 1.115 365 F HN 0.506 nan 8.300 nan 0.000 0.507 366 D N 2.453 122.985 120.400 0.220 0.000 2.303 366 D HA 0.192 4.844 4.640 0.020 0.000 0.236 366 D C -0.211 176.221 176.300 0.219 0.000 1.068 366 D CA -0.301 53.817 54.000 0.198 0.000 0.830 366 D CB 0.914 41.842 40.800 0.214 0.000 1.109 366 D HN 0.394 nan 8.370 nan 0.000 0.496 367 N N 1.506 120.226 118.700 0.034 0.000 2.240 367 N HA -0.002 4.750 4.740 0.020 0.000 0.240 367 N C 0.899 176.223 175.510 -0.309 0.000 1.277 367 N CA 0.380 53.282 53.050 -0.246 0.000 0.873 367 N CB 0.470 38.865 38.487 -0.153 0.000 1.222 367 N HN 0.430 nan 8.380 nan 0.000 0.507 368 T N -1.986 112.513 114.554 -0.091 0.000 2.977 368 T HA -0.170 4.193 4.350 0.020 0.000 0.271 368 T C 1.541 176.236 174.700 -0.009 0.000 1.105 368 T CA 1.121 63.209 62.100 -0.021 0.000 1.116 368 T CB -0.611 68.289 68.868 0.053 0.000 0.878 368 T HN 0.395 nan 8.240 nan 0.000 0.509 369 Y N 0.535 120.871 120.300 0.060 0.000 2.466 369 Y HA 0.652 5.214 4.550 0.020 0.000 0.272 369 Y C 0.895 176.841 175.900 0.077 0.000 1.169 369 Y CA -0.959 57.177 58.100 0.060 0.000 1.285 369 Y CB -0.216 38.276 38.460 0.054 0.000 1.078 369 Y HN 0.218 nan 8.280 nan 0.000 0.523 370 S N -0.380 115.024 115.700 -0.493 0.000 2.607 370 S HA 0.378 4.860 4.470 0.020 0.000 0.303 370 S C -0.296 174.303 174.600 -0.001 0.000 1.086 370 S CA -0.755 57.303 58.200 -0.236 0.000 0.995 370 S CB 0.990 63.919 63.200 -0.452 0.000 1.084 370 S HN 0.327 nan 8.310 nan 0.000 0.507 371 F N 3.393 123.307 119.950 -0.059 0.000 2.714 371 F HA 0.507 5.046 4.527 0.020 0.000 0.294 371 F C 0.280 176.081 175.800 0.003 0.000 1.120 371 F CA -0.700 57.287 58.000 -0.021 0.000 1.398 371 F CB -0.180 38.817 39.000 -0.006 0.000 1.120 371 F HN 0.495 nan 8.300 nan 0.000 0.589 372 I N 2.129 122.571 120.570 -0.213 0.000 2.662 372 I HA -0.077 4.106 4.170 0.020 0.000 0.285 372 I C 0.260 176.258 176.117 -0.198 0.000 1.161 372 I CA 0.351 61.482 61.300 -0.281 0.000 1.415 372 I CB -0.145 37.766 38.000 -0.149 0.000 1.385 372 I HN 0.091 nan 8.210 nan 0.000 0.552 373 H N 6.075 124.941 119.070 -0.341 0.000 2.495 373 H HA 0.485 5.053 4.556 0.021 0.000 0.350 373 H C 0.587 175.829 175.328 -0.142 0.000 1.202 373 H CA -0.110 55.809 56.048 -0.215 0.000 1.322 373 H CB 1.210 30.842 29.762 -0.216 0.000 1.544 373 H HN 0.723 nan 8.280 nan 0.000 0.565 374 A N 2.299 124.622 122.820 -0.828 0.000 2.596 374 A HA -0.266 4.067 4.320 0.020 0.000 0.300 374 A C 0.091 177.520 177.584 -0.258 0.000 1.495 374 A CA 1.056 52.774 52.037 -0.533 0.000 0.769 374 A CB -2.060 16.694 19.000 -0.410 0.000 1.047 374 A HN 0.645 nan 8.150 nan 0.000 0.436 375 K N 0.143 120.418 120.400 -0.209 0.000 2.416 375 K HA 0.161 4.493 4.320 0.020 0.000 0.283 375 K C 0.421 176.943 176.600 -0.131 0.000 1.037 375 K CA 0.155 56.360 56.287 -0.136 0.000 0.995 375 K CB 0.647 33.085 32.500 -0.104 0.000 0.938 375 K HN 0.514 nan 8.250 nan 0.000 0.475 376 K N 3.208 123.543 120.400 -0.109 0.000 2.258 376 K HA 0.199 4.531 4.320 0.020 0.000 0.284 376 K C -1.059 175.469 176.600 -0.121 0.000 1.051 376 K CA -0.473 55.747 56.287 -0.112 0.000 0.923 376 K CB 0.847 33.294 32.500 -0.087 0.000 1.046 376 K HN 0.241 nan 8.250 nan 0.000 0.474 377 V N 5.005 124.816 119.914 -0.171 0.000 2.487 377 V HA 0.283 4.415 4.120 0.020 0.000 0.298 377 V C -0.679 175.299 176.094 -0.192 0.000 1.028 377 V CA -1.092 61.069 62.300 -0.231 0.000 0.860 377 V CB 1.724 33.256 31.823 -0.485 0.000 0.991 377 V HN 0.808 nan 8.190 nan 0.000 0.427 378 N N 5.048 123.609 118.700 -0.231 0.000 2.400 378 N HA 0.713 5.465 4.740 0.020 0.000 0.288 378 N C -0.897 174.476 175.510 -0.228 0.000 1.024 378 N CA -0.189 52.675 53.050 -0.310 0.000 0.894 378 N CB 2.419 40.600 38.487 -0.510 0.000 1.173 378 N HN 0.654 nan 8.380 nan 0.000 0.487 379 F N -1.567 118.394 119.950 0.017 0.000 2.662 379 F HA 0.686 5.225 4.527 0.020 0.000 0.312 379 F C -0.865 175.252 175.800 0.528 0.000 1.113 379 F CA -0.791 57.416 58.000 0.344 0.000 0.951 379 F CB 1.671 40.883 39.000 0.355 0.000 1.344 379 F HN 0.054 nan 8.300 nan 0.000 0.462 380 T N 1.993 117.013 114.554 0.777 0.000 2.991 380 T HA 0.669 5.031 4.350 0.020 0.000 0.303 380 T C -1.506 173.557 174.700 0.604 0.000 1.015 380 T CA -0.591 61.837 62.100 0.546 0.000 1.007 380 T CB 1.805 70.850 68.868 0.296 0.000 1.034 380 T HN 0.654 nan 8.240 nan 0.000 0.446 381 V N 3.083 123.336 119.914 0.565 0.000 2.841 381 V HA 0.667 4.800 4.120 0.020 0.000 0.310 381 V C -0.689 175.487 176.094 0.136 0.000 1.090 381 V CA -0.883 61.637 62.300 0.367 0.000 0.930 381 V CB 2.374 34.388 31.823 0.317 0.000 1.014 381 V HN 0.893 nan 8.190 nan 0.000 0.425 382 E N 1.606 121.807 120.200 0.001 0.000 2.366 382 E HA 0.568 4.930 4.350 0.020 0.000 0.278 382 E C -1.744 174.795 176.600 -0.100 0.000 0.923 382 E CA -0.759 55.619 56.400 -0.036 0.000 0.761 382 E CB 2.958 32.684 29.700 0.043 0.000 1.231 382 E HN 0.383 nan 8.360 nan 0.000 0.443 383 V N 3.529 123.393 119.914 -0.083 0.000 2.348 383 V HA 0.250 4.382 4.120 0.020 0.000 0.270 383 V C -0.252 175.841 176.094 -0.001 0.000 1.037 383 V CA -0.509 61.756 62.300 -0.058 0.000 0.872 383 V CB 0.310 32.118 31.823 -0.025 0.000 1.002 383 V HN 0.470 nan 8.190 nan 0.000 0.464 384 L N 6.504 127.726 121.223 -0.001 0.000 2.290 384 L HA 0.502 4.854 4.340 0.020 0.000 0.284 384 L C -0.235 176.653 176.870 0.030 0.000 1.078 384 L CA -0.197 54.650 54.840 0.012 0.000 0.815 384 L CB 0.807 42.869 42.059 0.004 0.000 1.162 384 L HN 0.408 nan 8.230 nan 0.000 0.435 385 L N 5.295 126.544 121.223 0.044 0.000 2.343 385 L HA 0.551 4.903 4.340 0.020 0.000 0.275 385 L C -2.085 174.808 176.870 0.039 0.000 1.056 385 L CA -1.949 52.936 54.840 0.074 0.000 0.804 385 L CB 1.650 43.778 42.059 0.116 0.000 1.203 385 L HN 0.382 nan 8.230 nan 0.000 0.440 386 P HA 0.071 nan 4.420 nan 0.000 0.284 386 P C -1.251 176.061 177.300 0.021 0.000 1.253 386 P CA -0.424 62.695 63.100 0.033 0.000 0.800 386 P CB 1.206 32.935 31.700 0.050 0.000 0.961 387 D N 1.911 122.330 120.400 0.032 0.000 2.371 387 D HA 0.003 4.655 4.640 0.020 0.000 0.256 387 D C 1.459 177.791 176.300 0.054 0.000 1.193 387 D CA 0.044 54.076 54.000 0.054 0.000 0.881 387 D CB 0.626 41.522 40.800 0.160 0.000 1.143 387 D HN 0.231 nan 8.370 nan 0.000 0.473 388 K N 3.315 123.725 120.400 0.016 0.000 2.020 388 K HA -0.275 4.057 4.320 0.020 0.000 0.212 388 K C 1.790 178.406 176.600 0.026 0.000 1.050 388 K CA 1.570 57.856 56.287 -0.001 0.000 0.929 388 K CB -0.183 32.295 32.500 -0.036 0.000 0.714 388 K HN 0.557 nan 8.250 nan 0.000 0.443 389 A N 0.497 123.342 122.820 0.041 0.000 1.908 389 A HA -0.169 4.163 4.320 0.020 0.000 0.218 389 A C 2.177 179.796 177.584 0.059 0.000 1.181 389 A CA 2.249 54.312 52.037 0.043 0.000 0.627 389 A CB -0.674 18.355 19.000 0.048 0.000 0.818 389 A HN 0.408 nan 8.150 nan 0.000 0.445 390 S N -0.429 115.330 115.700 0.099 0.000 2.382 390 S HA -0.153 4.329 4.470 0.020 0.000 0.228 390 S C 1.812 176.493 174.600 0.135 0.000 1.027 390 S CA 1.351 59.641 58.200 0.151 0.000 0.991 390 S CB -0.296 63.045 63.200 0.235 0.000 0.823 390 S HN 0.694 nan 8.310 nan 0.000 0.469 391 E N 0.811 121.070 120.200 0.098 0.000 2.085 391 E HA -0.166 4.197 4.350 0.020 0.000 0.194 391 E C 2.131 178.765 176.600 0.057 0.000 0.994 391 E CA 0.956 57.402 56.400 0.078 0.000 0.801 391 E CB -0.079 29.651 29.700 0.051 0.000 0.743 391 E HN 0.356 nan 8.360 nan 0.000 0.453 392 E N 1.326 121.551 120.200 0.042 0.000 2.077 392 E HA -0.089 4.273 4.350 0.020 0.000 0.193 392 E C 0.795 177.411 176.600 0.026 0.000 0.989 392 E CA 0.891 57.308 56.400 0.029 0.000 0.800 392 E CB -0.116 29.596 29.700 0.020 0.000 0.746 392 E HN 0.242 nan 8.360 nan 0.000 0.452 396 Q N 1.194 121.004 119.800 0.016 0.000 1.922 396 Q HA -0.024 4.329 4.340 0.020 0.000 0.201 396 Q C 1.596 177.605 176.000 0.014 0.000 0.979 396 Q CA 1.266 57.077 55.803 0.014 0.000 0.841 396 Q CB -0.099 28.645 28.738 0.011 0.000 0.903 396 Q HN -0.012 nan 8.270 nan 0.000 0.431 397 L N -0.431 120.798 121.223 0.010 0.000 1.952 397 L HA -0.181 4.171 4.340 0.020 0.000 0.231 397 L C 1.260 178.143 176.870 0.021 0.000 1.088 397 L CA 2.443 57.291 54.840 0.014 0.000 0.802 397 L CB -1.291 40.769 42.059 0.001 0.000 0.903 397 L HN 0.464 nan 8.230 nan 0.000 0.439 398 G N 0.000 108.812 108.800 0.021 0.000 5.446 398 G HA2 0.000 3.972 3.960 0.020 0.000 0.244 398 G HA3 0.000 3.972 3.960 0.020 0.000 0.244 398 G CA 0.000 nan 45.100 nan 0.000 0.502 398 G HN 0.000 nan 8.290 nan 0.000 0.925