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 3dwc_1_D DATA FIRST_RESID -1 DATA SEQUENCE GSMKPYKELE RVFTKLYRYG HMLLLADWDS HTMMPXKGSD ARGAAMAELQ DATA SEQUENCE LHMHDTITAP KIRALIEEAE KSVGDLEKLQ RANLREMRRA WELENLLPEE DATA SEQUENCE FVERKTVLTX XXXXXXXXXX XXXXXXXXLP TLKELIALFR EEGKLRAGNS DATA SEQUENCE GKHPYEALVD IYEPGMTLQR LDEIFGNVRS WLPELLKEVQ EKQKALGETV DATA SEQUENCE LEPKGPFPVS KQEALCRFFM DVWKFDFDGG RLDVSAHPFC GNSKEDVRIT DATA SEQUENCE TKYTETEFVT SLLGVIHETG HAKYEQNCGP KGFETQPVCM ARSLGVHEGQ DATA SEQUENCE SLFAEMQIGR SGAFMEFLAP RLVEYFGDQP AFTSSNMKRV IQRVSPGLIR DATA SEQUENCE IDADELCYPL HVMLRYEIER DLMDGNIEAE EVPRVWNEKM KSYLGLETLG DATA SEQUENCE NDKEGCLQDV HWSGGMFGYF PTYSLGAMVA AQLMSCVRRE LGEEVVDDCI DATA SEQUENCE RKGDLGKILA KQNEKIWQHG SSLTTDELLR QATGETLNPE HYRRHLERRY DATA SEQUENCE RD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 -1 G C 0.000 174.909 174.900 0.016 0.000 0.946 -1 G CA 0.000 45.107 45.100 0.012 0.000 0.502 0 S N -0.354 115.355 115.700 0.015 0.000 2.481 0 S HA 0.131 4.601 4.470 0.001 0.000 0.231 0 S C 1.970 176.588 174.600 0.030 0.000 0.996 0 S CA 1.176 59.385 58.200 0.016 0.000 0.942 0 S CB -0.103 63.101 63.200 0.007 0.000 0.768 0 S HN 0.258 nan 8.310 nan 0.000 0.520 1 M N 0.558 120.184 119.600 0.044 0.000 2.428 1 M HA 0.321 4.802 4.480 0.001 0.000 0.239 1 M C 1.794 178.156 176.300 0.104 0.000 1.121 1 M CA 0.064 55.416 55.300 0.087 0.000 1.019 1 M CB 0.078 32.727 32.600 0.082 0.000 1.485 1 M HN 0.368 nan 8.290 nan 0.000 0.484 2 K N 1.117 121.551 120.400 0.058 0.000 2.026 2 K HA -0.099 4.221 4.320 0.001 0.000 0.208 2 K C -1.179 175.441 176.600 0.034 0.000 1.048 2 K CA 1.481 57.789 56.287 0.036 0.000 0.929 2 K CB -0.805 31.706 32.500 0.018 0.000 0.713 2 K HN 0.156 nan 8.250 nan 0.000 0.439 3 P HA -0.188 nan 4.420 nan 0.000 0.215 3 P C 1.026 178.355 177.300 0.048 0.000 1.157 3 P CA 1.152 64.272 63.100 0.034 0.000 0.868 3 P CB -0.194 31.526 31.700 0.033 0.000 0.788 4 Y N 1.207 121.503 120.300 -0.005 0.000 2.181 4 Y HA -0.190 4.360 4.550 0.000 0.000 0.288 4 Y C 1.990 177.898 175.900 0.014 0.000 1.146 4 Y CA 1.753 59.853 58.100 0.000 0.000 1.164 4 Y CB -0.607 37.852 38.460 -0.003 0.000 0.982 4 Y HN -0.248 nan 8.280 nan 0.000 0.515 5 K N 0.213 120.524 120.400 -0.149 0.000 2.097 5 K HA -0.183 4.138 4.320 0.001 0.000 0.205 5 K C 2.012 178.507 176.600 -0.175 0.000 1.050 5 K CA 1.481 57.640 56.287 -0.214 0.000 0.938 5 K CB -0.287 32.188 32.500 -0.041 0.000 0.718 5 K HN 0.336 nan 8.250 nan 0.000 0.442 6 E N 1.414 121.556 120.200 -0.096 0.000 2.077 6 E HA -0.097 4.253 4.350 0.001 0.000 0.193 6 E C 2.031 178.596 176.600 -0.058 0.000 0.989 6 E CA 0.995 57.359 56.400 -0.061 0.000 0.800 6 E CB -0.316 29.366 29.700 -0.029 0.000 0.746 6 E HN 0.181 nan 8.360 nan 0.000 0.452 7 L N 0.458 121.640 121.223 -0.068 0.000 2.042 7 L HA -0.213 4.127 4.340 0.001 0.000 0.210 7 L C 2.553 179.446 176.870 0.038 0.000 1.076 7 L CA 1.742 56.596 54.840 0.022 0.000 0.749 7 L CB -0.445 41.626 42.059 0.020 0.000 0.893 7 L HN 0.225 nan 8.230 nan 0.000 0.432 8 E N -0.329 119.733 120.200 -0.229 0.000 2.058 8 E HA -0.291 4.060 4.350 0.001 0.000 0.194 8 E C 2.324 178.899 176.600 -0.041 0.000 0.997 8 E CA 1.256 57.541 56.400 -0.192 0.000 0.801 8 E CB -0.105 29.382 29.700 -0.354 0.000 0.746 8 E HN 0.319 nan 8.360 nan 0.000 0.450 9 R N 0.558 121.019 120.500 -0.066 0.000 2.083 9 R HA -0.170 4.170 4.340 0.001 0.000 0.237 9 R C 2.335 178.623 176.300 -0.021 0.000 1.137 9 R CA 1.500 57.574 56.100 -0.043 0.000 0.951 9 R CB -0.237 30.033 30.300 -0.049 0.000 0.851 9 R HN 0.048 nan 8.270 nan 0.000 0.434 10 V N 0.413 120.324 119.914 -0.005 0.000 2.295 10 V HA -0.241 3.879 4.120 0.001 0.000 0.246 10 V C 2.027 178.063 176.094 -0.096 0.000 1.049 10 V CA 1.818 64.085 62.300 -0.056 0.000 1.024 10 V CB -0.559 31.219 31.823 -0.076 0.000 0.648 10 V HN 0.254 nan 8.190 nan 0.000 0.447 11 F N 0.477 120.405 119.950 -0.035 0.000 2.234 11 F HA -0.131 4.396 4.527 0.000 0.000 0.299 11 F C 2.540 178.340 175.800 0.001 0.000 1.087 11 F CA 1.749 59.748 58.000 -0.001 0.000 1.340 11 F CB -0.820 38.182 39.000 0.003 0.000 1.031 11 F HN 0.074 nan 8.300 nan 0.000 0.500 12 T N -0.574 114.039 114.554 0.098 0.000 2.821 12 T HA -0.198 4.153 4.350 0.001 0.000 0.267 12 T C 2.013 176.713 174.700 -0.000 0.000 1.046 12 T CA 1.243 63.365 62.100 0.037 0.000 1.139 12 T CB -0.147 68.707 68.868 -0.023 0.000 0.871 12 T HN 0.151 nan 8.240 nan 0.000 0.454 13 K N 0.729 121.068 120.400 -0.103 0.000 2.002 13 K HA -0.009 4.311 4.320 0.001 0.000 0.209 13 K C 2.166 178.474 176.600 -0.487 0.000 1.048 13 K CA 1.136 57.235 56.287 -0.315 0.000 0.930 13 K CB -0.308 32.037 32.500 -0.259 0.000 0.714 13 K HN 0.249 nan 8.250 nan 0.000 0.438 14 L N -0.074 121.017 121.223 -0.221 0.000 2.079 14 L HA -0.222 4.119 4.340 0.001 0.000 0.210 14 L C 2.419 179.326 176.870 0.061 0.000 1.081 14 L CA 1.326 56.136 54.840 -0.049 0.000 0.752 14 L CB -0.530 41.487 42.059 -0.070 0.000 0.896 14 L HN 0.296 nan 8.230 nan 0.000 0.433 15 Y N 0.648 120.930 120.300 -0.030 0.000 2.224 15 Y HA -0.218 4.333 4.550 0.001 0.000 0.289 15 Y C 2.710 178.623 175.900 0.023 0.000 1.146 15 Y CA 1.358 59.477 58.100 0.033 0.000 1.182 15 Y CB -0.014 38.474 38.460 0.046 0.000 0.983 15 Y HN -0.008 nan 8.280 nan 0.000 0.524 16 R N -0.600 119.902 120.500 0.003 0.000 2.075 16 R HA -0.171 4.169 4.340 0.001 0.000 0.232 16 R C 1.997 178.291 176.300 -0.009 0.000 1.126 16 R CA 1.594 57.640 56.100 -0.090 0.000 0.963 16 R CB -1.499 28.699 30.300 -0.171 0.000 0.858 16 R HN 0.439 nan 8.270 nan 0.000 0.435 17 Y N 0.248 120.581 120.300 0.056 0.000 2.224 17 Y HA -0.043 4.507 4.550 0.000 0.000 0.289 17 Y C 2.548 178.479 175.900 0.051 0.000 1.146 17 Y CA 0.931 59.072 58.100 0.068 0.000 1.182 17 Y CB -1.267 37.243 38.460 0.084 0.000 0.983 17 Y HN 0.170 nan 8.280 nan 0.000 0.524 18 G N -1.499 107.394 108.800 0.155 0.000 2.422 18 G HA2 -0.305 3.656 3.960 0.001 0.000 0.218 18 G HA3 -0.305 3.656 3.960 0.001 0.000 0.218 18 G C 1.473 176.383 174.900 0.017 0.000 1.140 18 G CA 1.050 46.191 45.100 0.068 0.000 0.775 18 G HN 0.539 nan 8.290 nan 0.000 0.545 19 H N -0.040 118.937 119.070 -0.154 0.000 2.319 19 H HA -0.106 4.450 4.556 0.001 0.000 0.297 19 H C 2.633 177.946 175.328 -0.025 0.000 1.097 19 H CA 2.059 58.022 56.048 -0.141 0.000 1.285 19 H CB 0.022 29.682 29.762 -0.170 0.000 1.368 19 H HN 0.169 nan 8.280 nan 0.000 0.495 20 M N -0.010 119.729 119.600 0.232 0.000 2.080 20 M HA -0.165 4.315 4.480 0.001 0.000 0.260 20 M C 2.576 178.932 176.300 0.093 0.000 1.068 20 M CA 1.273 56.681 55.300 0.180 0.000 1.109 20 M CB -0.928 31.787 32.600 0.191 0.000 1.342 20 M HN 0.422 nan 8.290 nan 0.000 0.405 21 L N -0.343 120.931 121.223 0.085 0.000 2.093 21 L HA -0.191 4.150 4.340 0.001 0.000 0.208 21 L C 2.388 179.291 176.870 0.056 0.000 1.085 21 L CA 0.810 55.690 54.840 0.066 0.000 0.755 21 L CB -0.268 41.831 42.059 0.067 0.000 0.904 21 L HN 0.255 nan 8.230 nan 0.000 0.435 22 L N -1.141 120.100 121.223 0.030 0.000 2.093 22 L HA -0.231 4.109 4.340 0.001 0.000 0.208 22 L C 2.432 179.354 176.870 0.086 0.000 1.085 22 L CA 0.614 55.478 54.840 0.039 0.000 0.755 22 L CB -0.357 41.685 42.059 -0.028 0.000 0.904 22 L HN 0.254 nan 8.230 nan 0.000 0.435 23 L N 0.187 121.416 121.223 0.011 0.000 2.017 23 L HA -0.144 4.196 4.340 0.001 0.000 0.208 23 L C 2.667 179.673 176.870 0.226 0.000 1.073 23 L CA 2.002 56.898 54.840 0.093 0.000 0.745 23 L CB -0.673 41.381 42.059 -0.008 0.000 0.894 23 L HN 0.146 nan 8.230 nan 0.000 0.432 24 A N -0.883 122.019 122.820 0.136 0.000 1.940 24 A HA -0.309 4.012 4.320 0.001 0.000 0.219 24 A C 2.073 179.706 177.584 0.082 0.000 1.176 24 A CA 2.117 54.216 52.037 0.103 0.000 0.631 24 A CB -1.021 18.015 19.000 0.061 0.000 0.814 24 A HN 0.606 nan 8.150 nan 0.000 0.446 25 D N -1.943 118.521 120.400 0.108 0.000 2.097 25 D HA -0.179 4.461 4.640 0.001 0.000 0.197 25 D C 1.655 178.075 176.300 0.200 0.000 0.984 25 D CA 1.449 55.504 54.000 0.092 0.000 0.826 25 D CB -0.350 40.509 40.800 0.099 0.000 0.973 25 D HN 0.609 nan 8.370 nan 0.000 0.460 26 W N 1.534 122.932 121.300 0.163 0.000 2.335 26 W HA -0.177 4.483 4.660 0.000 0.000 0.311 26 W C 1.956 178.619 176.519 0.240 0.000 1.213 26 W CA 2.012 59.552 57.345 0.326 0.000 1.274 26 W CB -0.423 29.198 29.460 0.268 0.000 1.148 26 W HN -0.007 nan 8.180 nan 0.000 0.498 27 D N -0.718 119.768 120.400 0.143 0.000 2.117 27 D HA -0.225 4.416 4.640 0.001 0.000 0.198 27 D C 2.134 178.289 176.300 -0.241 0.000 0.982 27 D CA 1.778 55.688 54.000 -0.150 0.000 0.828 27 D CB -0.364 40.535 40.800 0.165 0.000 0.967 27 D HN 0.207 nan 8.370 nan 0.000 0.464 28 S N -0.672 114.912 115.700 -0.193 0.000 2.380 28 S HA -0.239 4.232 4.470 0.001 0.000 0.229 28 S C 1.639 175.982 174.600 -0.429 0.000 1.043 28 S CA 1.585 59.593 58.200 -0.321 0.000 1.038 28 S CB -0.416 62.516 63.200 -0.446 0.000 0.872 28 S HN 0.463 nan 8.310 nan 0.000 0.456 29 H N -0.697 118.270 119.070 -0.173 0.000 2.563 29 H HA 0.166 4.723 4.556 0.001 0.000 0.264 29 H C 2.196 177.426 175.328 -0.163 0.000 0.957 29 H CA 1.279 57.244 56.048 -0.138 0.000 1.173 29 H CB 0.311 30.003 29.762 -0.116 0.000 1.420 29 H HN 0.583 nan 8.280 nan 0.000 0.551 30 T N -3.135 111.261 114.554 -0.264 0.000 3.138 30 T HA 0.072 4.422 4.350 0.001 0.000 0.245 30 T C 1.614 176.170 174.700 -0.239 0.000 0.982 30 T CA 0.005 61.908 62.100 -0.329 0.000 1.134 30 T CB 0.292 68.702 68.868 -0.764 0.000 1.032 30 T HN -0.010 nan 8.240 nan 0.000 0.442 31 M N 0.360 119.794 119.600 -0.276 0.000 2.571 31 M HA 0.490 4.970 4.480 0.001 0.000 0.259 31 M C 0.861 177.115 176.300 -0.077 0.000 1.205 31 M CA 0.083 55.306 55.300 -0.128 0.000 1.138 31 M CB -0.380 32.171 32.600 -0.081 0.000 1.329 31 M HN 0.319 nan 8.290 nan 0.000 0.503 32 M N 4.106 123.646 119.600 -0.101 0.000 2.217 32 M HA 0.189 4.670 4.480 0.001 0.000 0.352 32 M C -1.824 174.444 176.300 -0.053 0.000 1.376 32 M CA -1.250 54.010 55.300 -0.067 0.000 1.107 32 M CB 0.667 33.214 32.600 -0.088 0.000 1.723 32 M HN -0.059 nan 8.290 nan 0.000 0.461 36 G N 0.774 109.561 108.800 -0.021 0.000 2.920 36 G HA2 -0.100 3.860 3.960 0.001 0.000 0.208 36 G HA3 -0.100 3.860 3.960 0.001 0.000 0.208 36 G C 1.100 175.982 174.900 -0.030 0.000 1.159 36 G CA 0.837 45.924 45.100 -0.021 0.000 0.784 36 G HN 0.187 nan 8.290 nan 0.000 0.535 37 S N 0.392 116.071 115.700 -0.035 0.000 2.357 37 S HA -0.089 4.381 4.470 0.001 0.000 0.221 37 S C 2.054 176.631 174.600 -0.038 0.000 1.031 37 S CA 1.432 59.604 58.200 -0.046 0.000 0.982 37 S CB -0.144 63.029 63.200 -0.046 0.000 0.853 37 S HN 0.315 nan 8.310 nan 0.000 0.458 38 D N 1.534 121.917 120.400 -0.029 0.000 2.104 38 D HA -0.026 4.614 4.640 0.001 0.000 0.194 38 D C 2.155 178.442 176.300 -0.023 0.000 0.994 38 D CA 1.397 55.382 54.000 -0.025 0.000 0.830 38 D CB -0.618 40.170 40.800 -0.020 0.000 0.959 38 D HN 0.463 nan 8.370 nan 0.000 0.452 39 A N 0.596 123.404 122.820 -0.020 0.000 1.972 39 A HA -0.177 4.143 4.320 0.001 0.000 0.219 39 A C 2.153 179.727 177.584 -0.017 0.000 1.169 39 A CA 1.757 53.785 52.037 -0.016 0.000 0.635 39 A CB -0.347 18.647 19.000 -0.011 0.000 0.810 39 A HN 0.083 nan 8.150 nan 0.000 0.446 40 R N 0.034 120.520 120.500 -0.023 0.000 2.062 40 R HA 0.000 4.341 4.340 0.001 0.000 0.229 40 R C 2.158 178.442 176.300 -0.028 0.000 1.128 40 R CA 2.028 58.113 56.100 -0.026 0.000 0.960 40 R CB -1.358 28.917 30.300 -0.042 0.000 0.855 40 R HN 0.325 nan 8.270 nan 0.000 0.432 41 G N -0.225 108.555 108.800 -0.035 0.000 2.418 41 G HA2 -0.219 3.742 3.960 0.001 0.000 0.217 41 G HA3 -0.219 3.742 3.960 0.001 0.000 0.217 41 G C 1.584 176.470 174.900 -0.023 0.000 1.158 41 G CA 0.831 45.912 45.100 -0.032 0.000 0.771 41 G HN 0.500 nan 8.290 nan 0.000 0.545 42 A N 1.129 123.936 122.820 -0.022 0.000 1.940 42 A HA 0.229 4.550 4.320 0.001 0.000 0.219 42 A C 2.783 180.357 177.584 -0.016 0.000 1.176 42 A CA 2.333 54.359 52.037 -0.019 0.000 0.631 42 A CB -0.697 18.292 19.000 -0.018 0.000 0.814 42 A HN 0.766 nan 8.150 nan 0.000 0.446 43 A N -0.772 122.040 122.820 -0.013 0.000 1.929 43 A HA -0.006 4.314 4.320 0.001 0.000 0.216 43 A C 2.231 179.813 177.584 -0.004 0.000 1.176 43 A CA 1.550 53.582 52.037 -0.009 0.000 0.628 43 A CB -0.484 18.515 19.000 -0.003 0.000 0.816 43 A HN 0.517 nan 8.150 nan 0.000 0.444 44 M N -0.475 119.123 119.600 -0.004 0.000 2.159 44 M HA -0.131 4.349 4.480 0.001 0.000 0.263 44 M C 2.506 178.806 176.300 0.000 0.000 1.063 44 M CA 1.401 56.703 55.300 0.003 0.000 1.110 44 M CB -0.404 32.195 32.600 -0.002 0.000 1.374 44 M HN 0.480 nan 8.290 nan 0.000 0.411 45 A N -0.106 122.709 122.820 -0.009 0.000 1.930 45 A HA -0.178 4.143 4.320 0.001 0.000 0.217 45 A C 1.952 179.531 177.584 -0.008 0.000 1.175 45 A CA 1.912 53.942 52.037 -0.012 0.000 0.627 45 A CB -0.543 18.445 19.000 -0.019 0.000 0.815 45 A HN 0.411 nan 8.150 nan 0.000 0.443 46 E N -0.466 119.728 120.200 -0.011 0.000 2.106 46 E HA -0.124 4.226 4.350 0.001 0.000 0.192 46 E C 1.761 178.356 176.600 -0.008 0.000 0.984 46 E CA 0.988 57.380 56.400 -0.013 0.000 0.806 46 E CB -0.298 29.387 29.700 -0.025 0.000 0.750 46 E HN 0.386 nan 8.360 nan 0.000 0.458 47 L N 0.727 121.944 121.223 -0.010 0.000 2.044 47 L HA -0.106 4.234 4.340 0.001 0.000 0.205 47 L C 2.081 178.961 176.870 0.017 0.000 1.075 47 L CA 1.789 56.622 54.840 -0.012 0.000 0.747 47 L CB -0.773 41.285 42.059 -0.002 0.000 0.903 47 L HN 0.169 nan 8.230 nan 0.000 0.435 48 Q N -0.702 119.114 119.800 0.026 0.000 2.096 48 Q HA -0.289 4.052 4.340 0.001 0.000 0.208 48 Q C 2.338 178.371 176.000 0.054 0.000 0.993 48 Q CA 2.201 58.027 55.803 0.038 0.000 0.862 48 Q CB -0.490 28.261 28.738 0.021 0.000 0.915 48 Q HN 0.519 nan 8.270 nan 0.000 0.416 49 L N -0.034 121.215 121.223 0.043 0.000 2.042 49 L HA -0.274 4.066 4.340 0.001 0.000 0.210 49 L C 2.520 179.456 176.870 0.110 0.000 1.076 49 L CA 1.936 56.817 54.840 0.070 0.000 0.749 49 L CB -0.342 41.740 42.059 0.039 0.000 0.893 49 L HN 0.413 nan 8.230 nan 0.000 0.432 50 H N -0.230 118.814 119.070 -0.043 0.000 2.326 50 H HA -0.185 4.371 4.556 0.001 0.000 0.301 50 H C 2.249 177.536 175.328 -0.068 0.000 1.081 50 H CA 2.110 58.099 56.048 -0.099 0.000 1.334 50 H CB -0.130 29.483 29.762 -0.249 0.000 1.385 50 H HN 0.186 nan 8.280 nan 0.000 0.504 51 M N -0.823 118.676 119.600 -0.168 0.000 2.106 51 M HA -0.232 4.249 4.480 0.001 0.000 0.259 51 M C 2.356 178.626 176.300 -0.049 0.000 1.068 51 M CA 2.159 57.403 55.300 -0.094 0.000 1.100 51 M CB -0.444 32.183 32.600 0.046 0.000 1.351 51 M HN 0.467 nan 8.290 nan 0.000 0.404 52 H N 0.526 119.558 119.070 -0.064 0.000 2.321 52 H HA -0.169 4.387 4.556 0.001 0.000 0.300 52 H C 1.526 176.825 175.328 -0.048 0.000 1.087 52 H CA 2.251 58.274 56.048 -0.042 0.000 1.319 52 H CB -0.116 29.634 29.762 -0.020 0.000 1.379 52 H HN 0.276 nan 8.280 nan 0.000 0.501 53 D N -0.707 119.653 120.400 -0.067 0.000 2.149 53 D HA -0.129 4.511 4.640 0.001 0.000 0.198 53 D C 2.089 178.300 176.300 -0.148 0.000 0.990 53 D CA 1.747 55.688 54.000 -0.099 0.000 0.839 53 D CB -0.546 40.263 40.800 0.014 0.000 0.948 53 D HN 0.455 nan 8.370 nan 0.000 0.460 54 T N 0.813 115.243 114.554 -0.207 0.000 2.737 54 T HA -0.067 4.283 4.350 0.001 0.000 0.265 54 T C 2.081 176.703 174.700 -0.130 0.000 1.038 54 T CA 0.412 62.404 62.100 -0.179 0.000 1.144 54 T CB -0.147 68.588 68.868 -0.221 0.000 0.866 54 T HN 0.167 nan 8.240 nan 0.000 0.434 55 I N 1.645 122.127 120.570 -0.146 0.000 2.928 55 I HA -0.079 4.092 4.170 0.001 0.000 0.266 55 I C 2.006 178.139 176.117 0.026 0.000 1.234 55 I CA 1.079 62.327 61.300 -0.087 0.000 1.483 55 I CB 0.061 38.000 38.000 -0.102 0.000 1.097 55 I HN 0.348 nan 8.210 nan 0.000 0.455 56 T N -1.639 112.848 114.554 -0.112 0.000 3.069 56 T HA 0.402 4.753 4.350 0.001 0.000 0.252 56 T C 0.841 175.552 174.700 0.018 0.000 1.053 56 T CA 0.027 62.082 62.100 -0.075 0.000 0.964 56 T CB -0.179 68.482 68.868 -0.345 0.000 1.005 56 T HN 0.209 nan 8.240 nan 0.000 0.532 57 A N 2.949 125.774 122.820 0.008 0.000 2.540 57 A HA 0.407 4.727 4.320 0.001 0.000 0.239 57 A C -0.735 176.892 177.584 0.072 0.000 1.061 57 A CA -1.045 51.008 52.037 0.026 0.000 0.758 57 A CB 0.041 19.044 19.000 0.006 0.000 0.991 57 A HN 0.208 nan 8.150 nan 0.000 0.502 58 P HA -0.233 nan 4.420 nan 0.000 0.217 58 P C 1.534 178.853 177.300 0.032 0.000 1.148 58 P CA 1.650 64.791 63.100 0.069 0.000 0.828 58 P CB 0.103 31.831 31.700 0.048 0.000 0.783 59 K N 0.040 120.448 120.400 0.014 0.000 2.103 59 K HA -0.167 4.153 4.320 0.001 0.000 0.207 59 K C 1.684 178.258 176.600 -0.043 0.000 1.048 59 K CA 1.560 57.840 56.287 -0.012 0.000 0.930 59 K CB -0.503 31.993 32.500 -0.006 0.000 0.716 59 K HN 0.016 nan 8.250 nan 0.000 0.444 60 I N 1.760 122.309 120.570 -0.036 0.000 2.202 60 I HA -0.199 3.971 4.170 0.001 0.000 0.242 60 I C 2.738 178.669 176.117 -0.310 0.000 1.091 60 I CA 1.218 62.462 61.300 -0.093 0.000 1.368 60 I CB -1.385 36.619 38.000 0.007 0.000 1.058 60 I HN 0.314 nan 8.210 nan 0.000 0.410 61 R N 1.226 121.487 120.500 -0.398 0.000 2.083 61 R HA -0.185 4.155 4.340 0.001 0.000 0.237 61 R C 2.345 178.425 176.300 -0.366 0.000 1.137 61 R CA 1.994 57.690 56.100 -0.673 0.000 0.951 61 R CB -0.217 29.913 30.300 -0.284 0.000 0.851 61 R HN 0.308 nan 8.270 nan 0.000 0.434 62 A N 0.964 123.675 122.820 -0.182 0.000 1.902 62 A HA -0.131 4.189 4.320 0.001 0.000 0.217 62 A C 2.229 179.748 177.584 -0.107 0.000 1.181 62 A CA 1.357 53.328 52.037 -0.111 0.000 0.623 62 A CB -0.531 18.435 19.000 -0.058 0.000 0.818 62 A HN 0.375 nan 8.150 nan 0.000 0.443 63 L N -0.784 120.376 121.223 -0.105 0.000 2.093 63 L HA -0.129 4.211 4.340 0.001 0.000 0.208 63 L C 2.423 179.246 176.870 -0.077 0.000 1.085 63 L CA 0.955 55.755 54.840 -0.067 0.000 0.755 63 L CB -0.446 41.589 42.059 -0.040 0.000 0.904 63 L HN 0.366 nan 8.230 nan 0.000 0.435 64 I N -0.257 120.219 120.570 -0.156 0.000 2.179 64 I HA -0.268 3.903 4.170 0.001 0.000 0.242 64 I C 2.428 178.469 176.117 -0.126 0.000 1.088 64 I CA 1.359 62.566 61.300 -0.155 0.000 1.357 64 I CB -0.227 37.592 38.000 -0.302 0.000 1.051 64 I HN 0.256 nan 8.210 nan 0.000 0.409 65 E N 0.401 120.507 120.200 -0.156 0.000 2.077 65 E HA -0.213 4.137 4.350 0.001 0.000 0.193 65 E C 2.135 178.700 176.600 -0.059 0.000 0.989 65 E CA 0.947 57.286 56.400 -0.102 0.000 0.800 65 E CB -0.037 29.602 29.700 -0.103 0.000 0.746 65 E HN 0.377 nan 8.360 nan 0.000 0.452 66 E N 0.589 120.759 120.200 -0.051 0.000 2.077 66 E HA -0.179 4.171 4.350 0.001 0.000 0.193 66 E C 2.077 178.671 176.600 -0.011 0.000 0.989 66 E CA 1.107 57.491 56.400 -0.026 0.000 0.800 66 E CB -0.296 29.393 29.700 -0.019 0.000 0.746 66 E HN 0.250 nan 8.360 nan 0.000 0.452 67 A N 1.222 124.042 122.820 0.000 0.000 1.972 67 A HA -0.203 4.117 4.320 0.001 0.000 0.219 67 A C 2.015 179.595 177.584 -0.006 0.000 1.169 67 A CA 1.530 53.584 52.037 0.028 0.000 0.635 67 A CB -0.413 18.642 19.000 0.091 0.000 0.810 67 A HN 0.216 nan 8.150 nan 0.000 0.446 68 E N -0.214 119.973 120.200 -0.022 0.000 2.152 68 E HA -0.119 4.231 4.350 0.001 0.000 0.192 68 E C 1.818 178.401 176.600 -0.028 0.000 0.983 68 E CA 0.815 57.197 56.400 -0.030 0.000 0.818 68 E CB -0.071 29.608 29.700 -0.034 0.000 0.758 68 E HN 0.525 nan 8.360 nan 0.000 0.467 69 K N 0.447 120.832 120.400 -0.023 0.000 2.211 69 K HA -0.083 4.238 4.320 0.001 0.000 0.204 69 K C 1.539 178.127 176.600 -0.020 0.000 1.047 69 K CA 1.345 57.620 56.287 -0.020 0.000 0.935 69 K CB 0.024 32.515 32.500 -0.016 0.000 0.728 69 K HN 0.057 nan 8.250 nan 0.000 0.452 70 S N -0.348 115.339 115.700 -0.022 0.000 2.751 70 S HA 0.111 4.581 4.470 0.001 0.000 0.247 70 S C 0.931 175.508 174.600 -0.039 0.000 1.103 70 S CA -0.571 57.615 58.200 -0.024 0.000 1.090 70 S CB 0.650 63.841 63.200 -0.014 0.000 0.928 70 S HN 0.000 nan 8.310 nan 0.000 0.502 71 V N 2.074 121.960 119.914 -0.048 0.000 2.626 71 V HA 0.033 4.154 4.120 0.001 0.000 0.252 71 V C 2.252 178.300 176.094 -0.077 0.000 1.067 71 V CA 2.393 64.649 62.300 -0.073 0.000 1.081 71 V CB -0.910 30.873 31.823 -0.067 0.000 0.686 71 V HN 0.725 nan 8.190 nan 0.000 0.468 72 G N -0.821 107.946 108.800 -0.055 0.000 2.443 72 G HA2 -0.214 3.746 3.960 0.001 0.000 0.219 72 G HA3 -0.214 3.746 3.960 0.001 0.000 0.219 72 G C 1.129 175.999 174.900 -0.050 0.000 1.131 72 G CA 0.828 45.898 45.100 -0.049 0.000 0.775 72 G HN 0.565 nan 8.290 nan 0.000 0.547 73 D N 0.163 120.535 120.400 -0.048 0.000 2.350 73 D HA 0.033 4.673 4.640 0.001 0.000 0.216 73 D C 1.196 177.459 176.300 -0.062 0.000 0.968 73 D CA 0.241 54.215 54.000 -0.043 0.000 0.894 73 D CB 0.102 40.884 40.800 -0.029 0.000 0.909 73 D HN 0.266 nan 8.370 nan 0.000 0.520 74 L N 0.961 122.123 121.223 -0.102 0.000 2.379 74 L HA 0.233 4.573 4.340 0.001 0.000 0.269 74 L C 0.930 177.736 176.870 -0.108 0.000 1.084 74 L CA -0.704 54.046 54.840 -0.150 0.000 0.802 74 L CB 1.039 42.924 42.059 -0.290 0.000 1.175 74 L HN -0.199 nan 8.230 nan 0.000 0.448 75 E N 0.964 121.113 120.200 -0.084 0.000 2.408 75 E HA -0.036 4.314 4.350 0.001 0.000 0.259 75 E C 0.473 177.033 176.600 -0.066 0.000 1.110 75 E CA -0.175 56.200 56.400 -0.041 0.000 0.929 75 E CB 0.985 30.696 29.700 0.017 0.000 0.971 75 E HN 0.406 nan 8.360 nan 0.000 0.438 76 K N 1.476 121.846 120.400 -0.050 0.000 2.032 76 K HA -0.197 4.123 4.320 0.001 0.000 0.209 76 K C 1.814 178.346 176.600 -0.114 0.000 1.048 76 K CA 1.323 57.567 56.287 -0.073 0.000 0.927 76 K CB -0.065 32.404 32.500 -0.052 0.000 0.712 76 K HN 0.477 nan 8.250 nan 0.000 0.441 77 L N 0.500 121.654 121.223 -0.116 0.000 2.217 77 L HA -0.165 4.176 4.340 0.001 0.000 0.211 77 L C 2.486 179.154 176.870 -0.337 0.000 1.107 77 L CA 1.039 55.703 54.840 -0.292 0.000 0.783 77 L CB -0.260 41.568 42.059 -0.385 0.000 0.919 77 L HN 0.326 nan 8.230 nan 0.000 0.442 78 Q N -0.377 119.359 119.800 -0.107 0.000 2.079 78 Q HA -0.151 4.190 4.340 0.001 0.000 0.200 78 Q C 2.330 178.142 176.000 -0.312 0.000 0.974 78 Q CA 1.104 56.817 55.803 -0.150 0.000 0.840 78 Q CB -0.029 28.529 28.738 -0.299 0.000 0.898 78 Q HN 0.447 nan 8.270 nan 0.000 0.430 79 R N 0.528 120.878 120.500 -0.249 0.000 2.080 79 R HA -0.144 4.196 4.340 0.001 0.000 0.236 79 R C 2.356 178.567 176.300 -0.149 0.000 1.137 79 R CA 1.307 57.291 56.100 -0.194 0.000 0.943 79 R CB -0.569 29.645 30.300 -0.142 0.000 0.846 79 R HN 0.213 nan 8.270 nan 0.000 0.431 80 A N 1.658 124.384 122.820 -0.156 0.000 1.908 80 A HA -0.274 4.046 4.320 0.001 0.000 0.218 80 A C 1.969 179.473 177.584 -0.134 0.000 1.181 80 A CA 1.982 53.933 52.037 -0.143 0.000 0.627 80 A CB -0.727 18.169 19.000 -0.173 0.000 0.818 80 A HN 0.327 nan 8.150 nan 0.000 0.445 81 N N -0.352 118.256 118.700 -0.152 0.000 2.120 81 N HA -0.139 4.601 4.740 0.001 0.000 0.188 81 N C 1.546 177.037 175.510 -0.032 0.000 1.024 81 N CA 1.595 54.600 53.050 -0.076 0.000 0.852 81 N CB -0.407 38.119 38.487 0.065 0.000 1.003 81 N HN 0.337 nan 8.380 nan 0.000 0.424 82 L N 1.226 122.454 121.223 0.008 0.000 2.083 82 L HA -0.035 4.306 4.340 0.001 0.000 0.209 82 L C 2.368 179.219 176.870 -0.031 0.000 1.083 82 L CA 1.555 56.404 54.840 0.016 0.000 0.752 82 L CB -0.697 41.364 42.059 0.003 0.000 0.899 82 L HN 0.173 nan 8.230 nan 0.000 0.433 83 R N -0.643 119.830 120.500 -0.045 0.000 2.091 83 R HA -0.181 4.159 4.340 0.001 0.000 0.238 83 R C 1.997 178.284 176.300 -0.020 0.000 1.136 83 R CA 1.708 57.791 56.100 -0.028 0.000 0.959 83 R CB -0.169 30.109 30.300 -0.037 0.000 0.856 83 R HN 0.407 nan 8.270 nan 0.000 0.437 84 E N 0.323 120.492 120.200 -0.052 0.000 2.150 84 E HA -0.168 4.182 4.350 0.001 0.000 0.193 84 E C 2.008 178.561 176.600 -0.078 0.000 0.985 84 E CA 1.209 57.577 56.400 -0.052 0.000 0.814 84 E CB -0.170 29.487 29.700 -0.071 0.000 0.752 84 E HN 0.483 nan 8.360 nan 0.000 0.466 85 M N 0.058 119.550 119.600 -0.180 0.000 2.099 85 M HA -0.123 4.358 4.480 0.001 0.000 0.262 85 M C 2.482 178.849 176.300 0.112 0.000 1.067 85 M CA 1.389 56.523 55.300 -0.277 0.000 1.124 85 M CB -0.269 32.089 32.600 -0.402 0.000 1.353 85 M HN -0.039 nan 8.290 nan 0.000 0.410 86 R N 0.663 121.224 120.500 0.101 0.000 2.091 86 R HA -0.211 4.130 4.340 0.001 0.000 0.238 86 R C 2.286 178.753 176.300 0.277 0.000 1.136 86 R CA 1.979 58.209 56.100 0.216 0.000 0.959 86 R CB -0.311 30.064 30.300 0.126 0.000 0.856 86 R HN 0.274 nan 8.270 nan 0.000 0.437 87 R N 0.063 120.657 120.500 0.158 0.000 2.080 87 R HA -0.152 4.188 4.340 0.001 0.000 0.236 87 R C 2.172 178.565 176.300 0.154 0.000 1.137 87 R CA 1.809 57.984 56.100 0.126 0.000 0.943 87 R CB -0.445 29.896 30.300 0.068 0.000 0.846 87 R HN 0.354 nan 8.270 nan 0.000 0.431 88 A N 0.159 123.100 122.820 0.201 0.000 1.908 88 A HA -0.222 4.099 4.320 0.001 0.000 0.218 88 A C 1.931 179.683 177.584 0.280 0.000 1.181 88 A CA 1.434 53.624 52.037 0.256 0.000 0.627 88 A CB -1.096 18.146 19.000 0.402 0.000 0.818 88 A HN 0.764 nan 8.150 nan 0.000 0.445 89 W N 0.887 122.295 121.300 0.181 0.000 2.355 89 W HA -0.154 4.507 4.660 0.001 0.000 0.309 89 W C 1.990 178.550 176.519 0.068 0.000 1.206 89 W CA 1.951 59.371 57.345 0.124 0.000 1.284 89 W CB -0.205 29.338 29.460 0.138 0.000 1.145 89 W HN 0.468 nan 8.180 nan 0.000 0.502 90 E N 0.243 120.432 120.200 -0.019 0.000 2.110 90 E HA -0.249 4.102 4.350 0.001 0.000 0.193 90 E C 2.235 178.705 176.600 -0.217 0.000 0.988 90 E CA 1.678 57.923 56.400 -0.257 0.000 0.804 90 E CB -0.669 29.034 29.700 0.005 0.000 0.745 90 E HN 0.348 nan 8.360 nan 0.000 0.458 91 L N 0.917 122.087 121.223 -0.088 0.000 2.127 91 L HA -0.200 4.140 4.340 0.001 0.000 0.211 91 L C 2.371 179.193 176.870 -0.080 0.000 1.089 91 L CA 0.939 55.739 54.840 -0.067 0.000 0.757 91 L CB -0.172 41.878 42.059 -0.015 0.000 0.899 91 L HN 0.098 nan 8.230 nan 0.000 0.434 92 E N -1.033 119.097 120.200 -0.117 0.000 2.307 92 E HA -0.047 4.303 4.350 0.001 0.000 0.195 92 E C 1.558 178.070 176.600 -0.148 0.000 0.975 92 E CA 0.356 56.715 56.400 -0.070 0.000 0.878 92 E CB 0.152 29.826 29.700 -0.044 0.000 0.845 92 E HN 0.416 nan 8.360 nan 0.000 0.488 93 N N 0.107 118.572 118.700 -0.391 0.000 2.322 93 N HA 0.066 4.807 4.740 0.001 0.000 0.181 93 N C 1.613 176.906 175.510 -0.362 0.000 1.088 93 N CA -0.035 52.714 53.050 -0.502 0.000 0.885 93 N CB 0.579 38.365 38.487 -1.168 0.000 1.013 93 N HN 0.116 nan 8.380 nan 0.000 0.472 94 L N 0.864 121.899 121.223 -0.313 0.000 2.395 94 L HA 0.150 4.491 4.340 0.001 0.000 0.218 94 L C 0.395 177.170 176.870 -0.158 0.000 1.130 94 L CA 0.367 55.075 54.840 -0.219 0.000 0.826 94 L CB 0.134 42.080 42.059 -0.188 0.000 0.941 94 L HN 0.068 nan 8.230 nan 0.000 0.451 95 L N 0.898 122.048 121.223 -0.123 0.000 2.276 95 L HA 0.312 4.652 4.340 0.001 0.000 0.286 95 L C -2.054 174.820 176.870 0.006 0.000 1.061 95 L CA -2.048 52.737 54.840 -0.091 0.000 0.807 95 L CB 0.716 42.772 42.059 -0.005 0.000 1.177 95 L HN -0.187 nan 8.230 nan 0.000 0.429 96 P HA 0.043 nan 4.420 nan 0.000 0.270 96 P C 0.260 177.632 177.300 0.121 0.000 1.223 96 P CA -0.266 62.875 63.100 0.069 0.000 0.785 96 P CB 0.632 32.373 31.700 0.067 0.000 0.923 97 E N 0.675 120.935 120.200 0.100 0.000 2.268 97 E HA -0.198 4.152 4.350 0.001 0.000 0.195 97 E C 1.514 178.145 176.600 0.053 0.000 0.995 97 E CA 0.599 57.047 56.400 0.079 0.000 0.836 97 E CB -0.034 29.719 29.700 0.088 0.000 0.763 97 E HN 0.550 nan 8.360 nan 0.000 0.491 98 E N 0.676 120.917 120.200 0.068 0.000 2.153 98 E HA -0.175 4.175 4.350 0.001 0.000 0.194 98 E C 1.632 178.266 176.600 0.056 0.000 0.988 98 E CA 0.806 57.235 56.400 0.048 0.000 0.811 98 E CB -0.076 29.657 29.700 0.055 0.000 0.746 98 E HN 0.260 nan 8.360 nan 0.000 0.466 99 F N 0.296 120.231 119.950 -0.026 0.000 2.179 99 F HA -0.108 4.419 4.527 0.000 0.000 0.292 99 F C 2.244 178.020 175.800 -0.039 0.000 1.089 99 F CA 0.798 58.779 58.000 -0.031 0.000 1.295 99 F CB -0.129 38.857 39.000 -0.023 0.000 1.041 99 F HN -0.181 nan 8.300 nan 0.000 0.487 100 V N 0.667 120.675 119.914 0.158 0.000 2.392 100 V HA -0.307 3.813 4.120 0.001 0.000 0.249 100 V C 2.121 178.157 176.094 -0.096 0.000 1.059 100 V CA 2.365 64.689 62.300 0.041 0.000 1.051 100 V CB -0.699 31.115 31.823 -0.015 0.000 0.658 100 V HN 0.379 nan 8.190 nan 0.000 0.455 101 E N -0.360 119.781 120.200 -0.099 0.000 2.046 101 E HA -0.172 4.178 4.350 0.001 0.000 0.190 101 E C 2.482 178.990 176.600 -0.154 0.000 0.982 101 E CA 0.737 57.071 56.400 -0.111 0.000 0.800 101 E CB -0.212 29.441 29.700 -0.078 0.000 0.756 101 E HN 0.375 nan 8.360 nan 0.000 0.449 102 R N 1.430 121.807 120.500 -0.206 0.000 2.120 102 R HA -0.163 4.178 4.340 0.001 0.000 0.234 102 R C 2.165 178.261 176.300 -0.340 0.000 1.123 102 R CA 1.340 57.282 56.100 -0.262 0.000 0.975 102 R CB 0.010 30.132 30.300 -0.297 0.000 0.866 102 R HN -0.020 nan 8.270 nan 0.000 0.446 103 K N -0.672 119.469 120.400 -0.432 0.000 2.116 103 K HA -0.025 4.295 4.320 0.001 0.000 0.203 103 K C 1.389 177.880 176.600 -0.180 0.000 1.052 103 K CA 1.585 57.656 56.287 -0.360 0.000 0.952 103 K CB 0.179 32.465 32.500 -0.357 0.000 0.729 103 K HN 0.022 nan 8.250 nan 0.000 0.446 104 T N 0.302 114.770 114.554 -0.143 0.000 3.055 104 T HA -0.021 4.329 4.350 0.001 0.000 0.265 104 T C 1.630 176.279 174.700 -0.086 0.000 1.111 104 T CA 0.735 62.781 62.100 -0.090 0.000 1.118 104 T CB 0.183 69.002 68.868 -0.081 0.000 0.909 104 T HN -0.019 nan 8.240 nan 0.000 0.501 105 V N 1.094 120.943 119.914 -0.107 0.000 2.302 105 V HA -0.009 4.111 4.120 0.001 0.000 0.243 105 V C 2.285 178.327 176.094 -0.087 0.000 1.036 105 V CA 0.902 63.148 62.300 -0.090 0.000 1.020 105 V CB -0.547 31.218 31.823 -0.096 0.000 0.657 105 V HN 0.296 nan 8.190 nan 0.000 0.453 106 L N 0.033 121.188 121.223 -0.113 0.000 1.970 106 L HA -0.072 4.268 4.340 0.001 0.000 0.212 106 L C 1.727 178.553 176.870 -0.073 0.000 1.071 106 L CA 1.902 56.678 54.840 -0.108 0.000 0.751 106 L CB -0.965 40.997 42.059 -0.161 0.000 0.889 106 L HN 0.324 nan 8.230 nan 0.000 0.432 128 P HA -0.167 nan 4.420 nan 0.000 0.217 128 P C 1.352 178.634 177.300 -0.030 0.000 1.158 128 P CA 3.053 66.141 63.100 -0.019 0.000 0.887 128 P CB -0.416 31.271 31.700 -0.022 0.000 0.792 129 T N 1.209 115.748 114.554 -0.025 0.000 2.649 129 T HA -0.205 4.145 4.350 0.001 0.000 0.268 129 T C 1.802 176.475 174.700 -0.044 0.000 1.036 129 T CA 1.248 63.326 62.100 -0.036 0.000 1.157 129 T CB -0.925 67.936 68.868 -0.012 0.000 0.861 129 T HN 0.030 nan 8.240 nan 0.000 0.445 130 L N 0.859 122.082 121.223 -0.000 0.000 2.056 130 L HA -0.045 4.295 4.340 0.001 0.000 0.207 130 L C 2.310 179.155 176.870 -0.042 0.000 1.078 130 L CA 1.858 56.712 54.840 0.024 0.000 0.749 130 L CB -0.639 41.488 42.059 0.113 0.000 0.901 130 L HN 0.314 nan 8.230 nan 0.000 0.433 131 K N -0.177 120.199 120.400 -0.039 0.000 2.152 131 K HA -0.206 4.114 4.320 0.001 0.000 0.206 131 K C 1.813 178.348 176.600 -0.109 0.000 1.048 131 K CA 1.712 57.962 56.287 -0.061 0.000 0.933 131 K CB 0.047 32.524 32.500 -0.040 0.000 0.721 131 K HN 0.489 nan 8.250 nan 0.000 0.447 132 E N 0.516 120.641 120.200 -0.124 0.000 2.122 132 E HA -0.053 4.298 4.350 0.001 0.000 0.190 132 E C 1.976 178.410 176.600 -0.277 0.000 0.977 132 E CA 0.428 56.728 56.400 -0.165 0.000 0.820 132 E CB 0.053 29.671 29.700 -0.136 0.000 0.770 132 E HN 0.147 nan 8.360 nan 0.000 0.462 133 L N 0.916 121.949 121.223 -0.317 0.000 2.042 133 L HA -0.199 4.141 4.340 0.001 0.000 0.210 133 L C 2.294 178.635 176.870 -0.881 0.000 1.076 133 L CA 0.663 55.135 54.840 -0.613 0.000 0.749 133 L CB -0.231 41.591 42.059 -0.394 0.000 0.893 133 L HN 0.228 nan 8.230 nan 0.000 0.432 134 I N -0.015 120.276 120.570 -0.465 0.000 2.202 134 I HA -0.213 3.957 4.170 0.001 0.000 0.242 134 I C 2.728 178.684 176.117 -0.268 0.000 1.091 134 I CA 1.593 62.678 61.300 -0.359 0.000 1.368 134 I CB -1.331 36.545 38.000 -0.207 0.000 1.058 134 I HN 0.169 nan 8.210 nan 0.000 0.410 135 A N 0.209 122.904 122.820 -0.209 0.000 2.067 135 A HA -0.152 4.168 4.320 0.001 0.000 0.219 135 A C 2.365 179.887 177.584 -0.103 0.000 1.158 135 A CA 1.117 53.080 52.037 -0.124 0.000 0.661 135 A CB -0.606 18.336 19.000 -0.097 0.000 0.801 135 A HN 0.467 nan 8.150 nan 0.000 0.452 136 L N -2.126 118.975 121.223 -0.203 0.000 2.102 136 L HA 0.048 4.388 4.340 0.001 0.000 0.202 136 L C 2.159 179.061 176.870 0.053 0.000 1.076 136 L CA 1.243 56.015 54.840 -0.113 0.000 0.761 136 L CB -0.275 41.589 42.059 -0.325 0.000 0.921 136 L HN 0.263 nan 8.230 nan 0.000 0.444 137 F N 0.885 120.782 119.950 -0.087 0.000 2.126 137 F HA -0.176 4.351 4.527 0.001 0.000 0.299 137 F C 2.692 178.451 175.800 -0.067 0.000 1.096 137 F CA 1.338 59.256 58.000 -0.137 0.000 1.255 137 F CB -0.966 37.696 39.000 -0.563 0.000 0.997 137 F HN 0.033 nan 8.300 nan 0.000 0.479 138 R N -0.255 120.297 120.500 0.087 0.000 2.127 138 R HA -0.188 4.152 4.340 0.001 0.000 0.238 138 R C 2.055 178.387 176.300 0.054 0.000 1.134 138 R CA 1.487 57.623 56.100 0.059 0.000 0.975 138 R CB -0.330 29.975 30.300 0.008 0.000 0.865 138 R HN 0.190 nan 8.270 nan 0.000 0.447 139 E N 0.711 120.956 120.200 0.076 0.000 2.033 139 E HA -0.151 4.199 4.350 0.001 0.000 0.189 139 E C 1.699 178.249 176.600 -0.084 0.000 0.979 139 E CA 1.120 57.548 56.400 0.048 0.000 0.802 139 E CB 0.022 29.836 29.700 0.190 0.000 0.763 139 E HN 0.220 nan 8.360 nan 0.000 0.449 140 E N -0.641 119.541 120.200 -0.030 0.000 2.065 140 E HA -0.233 4.117 4.350 0.001 0.000 0.201 140 E C 1.972 178.515 176.600 -0.095 0.000 1.016 140 E CA 1.507 57.795 56.400 -0.186 0.000 0.818 140 E CB -0.502 29.329 29.700 0.218 0.000 0.749 140 E HN 0.363 nan 8.360 nan 0.000 0.453 141 G N 0.667 109.490 108.800 0.040 0.000 2.446 141 G HA2 -0.301 3.660 3.960 0.001 0.000 0.217 141 G HA3 -0.301 3.660 3.960 0.001 0.000 0.217 141 G C 1.517 176.419 174.900 0.003 0.000 1.168 141 G CA 1.058 46.195 45.100 0.063 0.000 0.771 141 G HN 0.198 nan 8.290 nan 0.000 0.551 142 K N -0.291 120.096 120.400 -0.021 0.000 2.074 142 K HA 0.000 4.321 4.320 0.001 0.000 0.209 142 K C 2.535 179.088 176.600 -0.079 0.000 1.048 142 K CA 0.972 57.232 56.287 -0.045 0.000 0.926 142 K CB -0.266 32.206 32.500 -0.047 0.000 0.713 142 K HN 0.279 nan 8.250 nan 0.000 0.444 143 L N 0.245 121.380 121.223 -0.147 0.000 2.005 143 L HA -0.167 4.174 4.340 0.001 0.000 0.207 143 L C 2.439 179.226 176.870 -0.139 0.000 1.072 143 L CA 1.272 56.000 54.840 -0.186 0.000 0.744 143 L CB -0.331 41.513 42.059 -0.358 0.000 0.895 143 L HN 0.143 nan 8.230 nan 0.000 0.433 144 R N -0.036 120.385 120.500 -0.132 0.000 2.152 144 R HA -0.109 4.231 4.340 0.001 0.000 0.232 144 R C 2.291 178.562 176.300 -0.047 0.000 1.117 144 R CA 1.091 57.137 56.100 -0.088 0.000 0.981 144 R CB -0.440 29.819 30.300 -0.069 0.000 0.870 144 R HN 0.350 nan 8.270 nan 0.000 0.451 145 A N 0.994 123.796 122.820 -0.029 0.000 2.019 145 A HA 0.014 4.334 4.320 0.001 0.000 0.219 145 A C 1.556 179.133 177.584 -0.011 0.000 1.164 145 A CA 1.409 53.443 52.037 -0.006 0.000 0.644 145 A CB -0.672 18.331 19.000 0.006 0.000 0.805 145 A HN 0.495 nan 8.150 nan 0.000 0.449 146 G N 0.757 109.539 108.800 -0.029 0.000 2.629 146 G HA2 -0.415 3.545 3.960 0.001 0.000 0.313 146 G HA3 -0.415 3.545 3.960 0.001 0.000 0.313 146 G C 0.270 175.165 174.900 -0.009 0.000 1.217 146 G CA 0.585 45.672 45.100 -0.021 0.000 0.994 146 G HN 1.267 nan 8.290 nan 0.000 0.549 147 N N 0.468 119.171 118.700 0.004 0.000 2.541 147 N HA 0.338 5.078 4.740 0.001 0.000 0.297 147 N C 1.323 176.842 175.510 0.015 0.000 1.503 147 N CA 0.724 53.779 53.050 0.008 0.000 0.919 147 N CB 1.018 39.511 38.487 0.010 0.000 1.305 147 N HN 0.711 nan 8.380 nan 0.000 0.501 148 S N -0.341 115.369 115.700 0.017 0.000 2.461 148 S HA 0.152 4.622 4.470 0.001 0.000 0.228 148 S C 1.716 176.331 174.600 0.025 0.000 1.005 148 S CA 0.792 59.005 58.200 0.023 0.000 0.942 148 S CB -0.304 62.911 63.200 0.025 0.000 0.776 148 S HN 0.587 nan 8.310 nan 0.000 0.514 149 G N 0.985 109.798 108.800 0.022 0.000 2.176 149 G HA2 -0.267 3.694 3.960 0.001 0.000 0.253 149 G HA3 -0.267 3.694 3.960 0.001 0.000 0.253 149 G C -0.039 174.885 174.900 0.040 0.000 0.979 149 G CA 0.169 45.284 45.100 0.025 0.000 0.641 149 G HN 0.574 nan 8.290 nan 0.000 0.530 150 K N 0.820 121.248 120.400 0.048 0.000 2.326 150 K HA 0.253 4.573 4.320 0.001 0.000 0.275 150 K C 0.736 177.402 176.600 0.109 0.000 1.018 150 K CA -0.707 55.628 56.287 0.081 0.000 0.962 150 K CB 0.365 32.907 32.500 0.070 0.000 0.953 150 K HN 0.332 nan 8.250 nan 0.000 0.475 151 H N 3.910 123.014 119.070 0.057 0.000 3.064 151 H HA -0.039 4.518 4.556 0.001 0.000 0.329 151 H C -1.842 173.539 175.328 0.090 0.000 1.020 151 H CA -1.221 54.875 56.048 0.080 0.000 1.402 151 H CB 0.982 30.808 29.762 0.107 0.000 1.379 151 H HN 0.413 nan 8.280 nan 0.000 0.594 152 P HA -0.211 nan 4.420 nan 0.000 0.216 152 P C 1.223 178.755 177.300 0.386 0.000 1.153 152 P CA 1.354 64.595 63.100 0.235 0.000 0.858 152 P CB -0.143 31.632 31.700 0.126 0.000 0.789 153 Y N 0.820 121.397 120.300 0.462 0.000 2.242 153 Y HA -0.152 4.398 4.550 0.000 0.000 0.291 153 Y C 2.397 178.392 175.900 0.159 0.000 1.137 153 Y CA 1.300 59.545 58.100 0.242 0.000 1.181 153 Y CB -0.795 37.733 38.460 0.113 0.000 0.989 153 Y HN -0.005 nan 8.280 nan 0.000 0.527 154 E N -0.140 120.112 120.200 0.087 0.000 2.097 154 E HA -0.256 4.094 4.350 0.001 0.000 0.196 154 E C 2.267 178.864 176.600 -0.005 0.000 1.000 154 E CA 1.389 57.784 56.400 -0.009 0.000 0.804 154 E CB -0.330 29.412 29.700 0.069 0.000 0.740 154 E HN 0.499 nan 8.360 nan 0.000 0.454 155 A N 0.589 123.443 122.820 0.056 0.000 1.972 155 A HA -0.145 4.176 4.320 0.001 0.000 0.219 155 A C 2.134 179.719 177.584 0.003 0.000 1.169 155 A CA 1.159 53.212 52.037 0.027 0.000 0.635 155 A CB -0.472 18.554 19.000 0.043 0.000 0.810 155 A HN 0.310 nan 8.150 nan 0.000 0.446 156 L N -1.107 120.136 121.223 0.034 0.000 2.068 156 L HA -0.083 4.257 4.340 0.001 0.000 0.204 156 L C 2.482 179.342 176.870 -0.017 0.000 1.076 156 L CA 0.711 55.577 54.840 0.044 0.000 0.753 156 L CB -0.596 41.586 42.059 0.206 0.000 0.910 156 L HN 0.200 nan 8.230 nan 0.000 0.439 157 V N 0.366 120.210 119.914 -0.118 0.000 2.332 157 V HA -0.352 3.768 4.120 0.001 0.000 0.248 157 V C 2.160 178.240 176.094 -0.023 0.000 1.055 157 V CA 2.258 64.516 62.300 -0.070 0.000 1.038 157 V CB -0.558 31.134 31.823 -0.218 0.000 0.651 157 V HN 0.517 nan 8.190 nan 0.000 0.450 158 D N -0.120 120.243 120.400 -0.062 0.000 2.239 158 D HA -0.220 4.420 4.640 0.001 0.000 0.202 158 D C 1.879 178.114 176.300 -0.108 0.000 0.993 158 D CA 1.433 55.399 54.000 -0.056 0.000 0.874 158 D CB -0.185 40.590 40.800 -0.041 0.000 0.922 158 D HN 0.518 nan 8.370 nan 0.000 0.464 159 I N -0.678 119.755 120.570 -0.229 0.000 2.208 159 I HA -0.285 3.885 4.170 0.001 0.000 0.245 159 I C 1.350 177.207 176.117 -0.434 0.000 1.097 159 I CA 1.097 62.142 61.300 -0.425 0.000 1.363 159 I CB -0.299 37.244 38.000 -0.761 0.000 1.051 159 I HN 0.183 nan 8.210 nan 0.000 0.413 160 Y N -0.533 119.769 120.300 0.003 0.000 2.503 160 Y HA 0.175 4.725 4.550 0.001 0.000 0.277 160 Y C 1.010 176.890 175.900 -0.033 0.000 1.102 160 Y CA -0.014 58.072 58.100 -0.023 0.000 1.261 160 Y CB 0.245 38.655 38.460 -0.083 0.000 1.096 160 Y HN -0.007 nan 8.280 nan 0.000 0.546 161 E N 1.102 121.352 120.200 0.084 0.000 3.386 161 E HA 0.290 4.640 4.350 0.001 0.000 0.236 161 E C -2.916 173.696 176.600 0.020 0.000 1.227 161 E CA -2.993 53.438 56.400 0.050 0.000 0.970 161 E CB 0.475 30.201 29.700 0.043 0.000 1.343 161 E HN -0.108 nan 8.360 nan 0.000 0.397 162 P HA 0.088 nan 4.420 nan 0.000 0.264 162 P C 0.886 178.190 177.300 0.008 0.000 1.183 162 P CA 1.353 64.457 63.100 0.006 0.000 0.763 162 P CB 0.973 32.681 31.700 0.013 0.000 0.807 163 G N 1.575 110.377 108.800 0.004 0.000 2.217 163 G HA2 -0.291 3.670 3.960 0.001 0.000 0.246 163 G HA3 -0.291 3.670 3.960 0.001 0.000 0.246 163 G C 0.108 175.011 174.900 0.007 0.000 0.990 163 G CA 0.244 45.347 45.100 0.006 0.000 0.627 163 G HN 0.608 nan 8.290 nan 0.000 0.522 164 M N 3.383 122.986 119.600 0.005 0.000 2.188 164 M HA 0.559 5.039 4.480 0.001 0.000 0.354 164 M C 1.013 177.317 176.300 0.006 0.000 1.342 164 M CA 0.165 55.468 55.300 0.005 0.000 1.117 164 M CB 0.451 33.053 32.600 0.003 0.000 1.670 164 M HN 0.599 nan 8.290 nan 0.000 0.466 165 T N 2.473 117.036 114.554 0.016 0.000 2.934 165 T HA 0.385 4.735 4.350 0.001 0.000 0.283 165 T C 0.742 175.464 174.700 0.037 0.000 1.005 165 T CA -1.004 61.112 62.100 0.028 0.000 1.041 165 T CB 1.039 69.928 68.868 0.035 0.000 1.042 165 T HN 0.717 nan 8.240 nan 0.000 0.505 166 L N 0.923 122.173 121.223 0.045 0.000 2.109 166 L HA 0.068 4.408 4.340 0.001 0.000 0.207 166 L C 2.901 179.829 176.870 0.096 0.000 1.086 166 L CA 1.660 56.540 54.840 0.067 0.000 0.760 166 L CB -1.018 41.044 42.059 0.005 0.000 0.910 166 L HN 0.968 nan 8.230 nan 0.000 0.437 167 Q N -0.774 119.072 119.800 0.077 0.000 2.077 167 Q HA -0.312 4.029 4.340 0.001 0.000 0.206 167 Q C 2.346 178.389 176.000 0.072 0.000 0.989 167 Q CA 2.087 57.937 55.803 0.077 0.000 0.853 167 Q CB -0.128 28.648 28.738 0.063 0.000 0.907 167 Q HN 0.300 nan 8.270 nan 0.000 0.418 168 R N 0.219 120.753 120.500 0.056 0.000 2.092 168 R HA -0.017 4.323 4.340 0.001 0.000 0.231 168 R C 2.085 178.410 176.300 0.043 0.000 1.119 168 R CA 1.232 57.356 56.100 0.040 0.000 0.970 168 R CB -0.609 29.705 30.300 0.023 0.000 0.864 168 R HN 0.401 nan 8.270 nan 0.000 0.440 169 L N 0.219 121.478 121.223 0.061 0.000 2.046 169 L HA -0.188 4.152 4.340 0.001 0.000 0.208 169 L C 1.495 178.429 176.870 0.107 0.000 1.077 169 L CA 1.652 56.523 54.840 0.053 0.000 0.747 169 L CB -0.458 41.627 42.059 0.043 0.000 0.896 169 L HN 0.266 nan 8.230 nan 0.000 0.432 170 D N -0.127 120.391 120.400 0.197 0.000 2.117 170 D HA -0.197 4.443 4.640 0.001 0.000 0.197 170 D C 2.050 178.448 176.300 0.163 0.000 0.987 170 D CA 1.132 55.281 54.000 0.249 0.000 0.829 170 D CB -0.027 40.903 40.800 0.216 0.000 0.961 170 D HN 0.399 nan 8.370 nan 0.000 0.460 171 E N 0.259 120.520 120.200 0.103 0.000 2.058 171 E HA -0.145 4.206 4.350 0.001 0.000 0.194 171 E C 2.405 179.030 176.600 0.041 0.000 0.997 171 E CA 0.577 57.018 56.400 0.068 0.000 0.801 171 E CB -0.051 29.678 29.700 0.048 0.000 0.746 171 E HN 0.317 nan 8.360 nan 0.000 0.450 172 I N 0.155 120.721 120.570 -0.007 0.000 2.142 172 I HA -0.263 3.907 4.170 0.001 0.000 0.240 172 I C 2.121 178.117 176.117 -0.202 0.000 1.078 172 I CA 1.256 62.481 61.300 -0.125 0.000 1.343 172 I CB -0.242 37.617 38.000 -0.236 0.000 1.046 172 I HN 0.032 nan 8.210 nan 0.000 0.405 173 F N 0.751 120.643 119.950 -0.097 0.000 2.259 173 F HA -0.044 4.483 4.527 0.000 0.000 0.298 173 F C 2.507 178.277 175.800 -0.050 0.000 1.088 173 F CA 1.292 59.233 58.000 -0.098 0.000 1.358 173 F CB -1.059 37.841 39.000 -0.166 0.000 1.040 173 F HN 0.013 nan 8.300 nan 0.000 0.505 174 G N -0.351 108.544 108.800 0.158 0.000 2.432 174 G HA2 -0.297 3.663 3.960 0.001 0.000 0.219 174 G HA3 -0.297 3.663 3.960 0.001 0.000 0.219 174 G C 1.715 176.642 174.900 0.045 0.000 1.135 174 G CA 0.865 46.023 45.100 0.096 0.000 0.767 174 G HN 0.305 nan 8.290 nan 0.000 0.550 175 N N 0.797 119.529 118.700 0.055 0.000 2.025 175 N HA -0.144 4.597 4.740 0.001 0.000 0.194 175 N C 2.355 177.895 175.510 0.049 0.000 1.044 175 N CA 1.812 54.933 53.050 0.118 0.000 0.851 175 N CB -0.471 38.107 38.487 0.152 0.000 1.036 175 N HN 0.144 nan 8.380 nan 0.000 0.422 176 V N 1.593 121.432 119.914 -0.125 0.000 2.370 176 V HA -0.217 3.903 4.120 0.001 0.000 0.252 176 V C 2.654 178.278 176.094 -0.783 0.000 1.068 176 V CA 1.955 63.867 62.300 -0.646 0.000 1.061 176 V CB -0.630 30.948 31.823 -0.407 0.000 0.656 176 V HN 0.399 nan 8.190 nan 0.000 0.455 177 R N 0.472 120.745 120.500 -0.379 0.000 2.235 177 R HA -0.095 4.246 4.340 0.001 0.000 0.213 177 R C 2.252 178.411 176.300 -0.235 0.000 1.059 177 R CA 1.222 57.120 56.100 -0.336 0.000 0.997 177 R CB -0.142 30.053 30.300 -0.176 0.000 0.884 177 R HN 0.697 nan 8.270 nan 0.000 0.462 178 S N -0.552 115.060 115.700 -0.147 0.000 2.562 178 S HA -0.014 4.457 4.470 0.001 0.000 0.221 178 S C 1.315 175.978 174.600 0.105 0.000 0.975 178 S CA 0.144 58.354 58.200 0.016 0.000 0.918 178 S CB -0.241 63.030 63.200 0.118 0.000 0.772 178 S HN 0.683 nan 8.310 nan 0.000 0.531 179 W N -1.012 120.259 121.300 -0.048 0.000 2.804 179 W HA 0.393 5.053 4.660 0.000 0.000 0.205 179 W C 0.837 177.316 176.519 -0.068 0.000 0.994 179 W CA -0.270 57.045 57.345 -0.051 0.000 1.269 179 W CB -0.435 28.994 29.460 -0.051 0.000 0.761 179 W HN 0.234 nan 8.180 nan 0.000 0.745 180 L N 3.373 124.189 121.223 -0.679 0.000 2.072 180 L HA 0.148 4.488 4.340 0.001 0.000 0.205 180 L C -0.601 176.117 176.870 -0.253 0.000 1.079 180 L CA 1.900 56.386 54.840 -0.590 0.000 0.752 180 L CB -1.886 39.576 42.059 -0.995 0.000 0.906 180 L HN -0.332 nan 8.230 nan 0.000 0.436 181 P HA -0.179 nan 4.420 nan 0.000 0.216 181 P C 1.179 178.455 177.300 -0.040 0.000 1.153 181 P CA 1.622 64.651 63.100 -0.118 0.000 0.858 181 P CB 0.101 31.757 31.700 -0.074 0.000 0.789 182 E N -1.016 119.177 120.200 -0.011 0.000 2.072 182 E HA -0.113 4.237 4.350 0.001 0.000 0.190 182 E C 1.877 178.503 176.600 0.044 0.000 0.982 182 E CA 0.566 56.982 56.400 0.028 0.000 0.803 182 E CB -1.145 28.585 29.700 0.051 0.000 0.755 182 E HN 0.076 nan 8.360 nan 0.000 0.453 183 L N 0.723 121.995 121.223 0.083 0.000 2.042 183 L HA -0.150 4.190 4.340 0.001 0.000 0.210 183 L C 2.071 178.966 176.870 0.042 0.000 1.076 183 L CA 1.363 56.262 54.840 0.099 0.000 0.749 183 L CB -0.570 41.617 42.059 0.213 0.000 0.893 183 L HN 0.212 nan 8.230 nan 0.000 0.432 184 L N -0.248 120.975 121.223 0.000 0.000 1.990 184 L HA -0.262 4.079 4.340 0.001 0.000 0.213 184 L C 2.499 179.361 176.870 -0.013 0.000 1.072 184 L CA 1.964 56.786 54.840 -0.030 0.000 0.755 184 L CB -0.859 41.166 42.059 -0.056 0.000 0.889 184 L HN 0.261 nan 8.230 nan 0.000 0.432 185 K N -0.561 119.837 120.400 -0.003 0.000 2.057 185 K HA -0.251 4.069 4.320 0.001 0.000 0.207 185 K C 2.087 178.695 176.600 0.012 0.000 1.049 185 K CA 1.799 58.088 56.287 0.003 0.000 0.931 185 K CB -0.196 32.307 32.500 0.007 0.000 0.714 185 K HN 0.562 nan 8.250 nan 0.000 0.440 186 E N 0.676 120.889 120.200 0.021 0.000 2.049 186 E HA -0.200 4.150 4.350 0.001 0.000 0.198 186 E C 1.945 178.562 176.600 0.028 0.000 1.007 186 E CA 1.581 57.997 56.400 0.026 0.000 0.809 186 E CB 0.075 29.796 29.700 0.035 0.000 0.749 186 E HN 0.000 nan 8.360 nan 0.000 0.450 187 V N 1.180 121.113 119.914 0.032 0.000 2.343 187 V HA -0.281 3.839 4.120 0.001 0.000 0.247 187 V C 2.506 178.619 176.094 0.031 0.000 1.051 187 V CA 2.067 64.392 62.300 0.043 0.000 1.036 187 V CB -0.614 31.238 31.823 0.048 0.000 0.654 187 V HN 0.357 nan 8.190 nan 0.000 0.451 188 Q N -0.616 119.193 119.800 0.014 0.000 2.135 188 Q HA -0.236 4.105 4.340 0.001 0.000 0.204 188 Q C 2.336 178.346 176.000 0.016 0.000 0.981 188 Q CA 1.670 57.479 55.803 0.011 0.000 0.856 188 Q CB -0.086 28.653 28.738 0.002 0.000 0.902 188 Q HN 0.656 nan 8.270 nan 0.000 0.425 189 E N 0.488 120.698 120.200 0.017 0.000 2.086 189 E HA -0.096 4.254 4.350 0.001 0.000 0.190 189 E C 1.686 178.299 176.600 0.020 0.000 0.975 189 E CA 0.482 56.892 56.400 0.016 0.000 0.813 189 E CB -0.277 29.431 29.700 0.014 0.000 0.768 189 E HN 0.242 nan 8.360 nan 0.000 0.457 190 K N 1.052 121.466 120.400 0.024 0.000 2.077 190 K HA -0.272 4.048 4.320 0.001 0.000 0.213 190 K C 2.083 178.701 176.600 0.029 0.000 1.051 190 K CA 1.933 58.236 56.287 0.027 0.000 0.929 190 K CB 0.031 32.551 32.500 0.034 0.000 0.715 190 K HN 0.133 nan 8.250 nan 0.000 0.451 191 Q N -0.239 119.581 119.800 0.034 0.000 2.096 191 Q HA -0.110 4.230 4.340 0.001 0.000 0.197 191 Q C 2.199 178.215 176.000 0.028 0.000 0.964 191 Q CA 1.073 56.898 55.803 0.036 0.000 0.838 191 Q CB -0.046 28.718 28.738 0.043 0.000 0.906 191 Q HN 0.270 nan 8.270 nan 0.000 0.444 192 K N 0.926 121.340 120.400 0.023 0.000 2.057 192 K HA -0.139 4.181 4.320 0.001 0.000 0.207 192 K C 2.045 178.656 176.600 0.017 0.000 1.049 192 K CA 1.098 57.396 56.287 0.018 0.000 0.931 192 K CB -0.117 32.392 32.500 0.015 0.000 0.714 192 K HN 0.128 nan 8.250 nan 0.000 0.440 193 A N 2.104 124.934 122.820 0.017 0.000 1.849 193 A HA -0.191 4.129 4.320 0.001 0.000 0.217 193 A C 2.243 179.836 177.584 0.016 0.000 1.202 193 A CA 1.699 53.745 52.037 0.015 0.000 0.629 193 A CB -0.961 18.048 19.000 0.015 0.000 0.834 193 A HN 0.366 nan 8.150 nan 0.000 0.447 194 L N -0.938 120.296 121.223 0.019 0.000 2.081 194 L HA -0.134 4.207 4.340 0.001 0.000 0.212 194 L C 1.843 178.725 176.870 0.019 0.000 1.080 194 L CA 0.951 55.803 54.840 0.019 0.000 0.754 194 L CB -1.112 40.961 42.059 0.023 0.000 0.893 194 L HN 0.722 nan 8.230 nan 0.000 0.433 195 G N 1.193 110.005 108.800 0.020 0.000 2.356 195 G HA2 -0.322 3.639 3.960 0.001 0.000 0.296 195 G HA3 -0.322 3.639 3.960 0.001 0.000 0.296 195 G C 0.140 175.053 174.900 0.022 0.000 1.022 195 G CA 0.434 45.546 45.100 0.020 0.000 0.961 195 G HN 0.498 nan 8.290 nan 0.000 0.510 196 E N -0.080 120.136 120.200 0.026 0.000 2.398 196 E HA 0.295 4.646 4.350 0.001 0.000 0.263 196 E C 0.560 177.178 176.600 0.030 0.000 1.046 196 E CA 0.033 56.450 56.400 0.028 0.000 0.908 196 E CB 0.353 30.073 29.700 0.032 0.000 0.963 196 E HN 0.176 nan 8.360 nan 0.000 0.431 197 T N 2.969 117.541 114.554 0.029 0.000 2.779 197 T HA 0.213 4.563 4.350 0.001 0.000 0.296 197 T C -0.625 174.098 174.700 0.038 0.000 0.938 197 T CA -0.415 61.703 62.100 0.030 0.000 1.119 197 T CB 0.422 69.307 68.868 0.028 0.000 0.891 197 T HN 0.151 nan 8.240 nan 0.000 0.526 198 V N 6.196 126.133 119.914 0.039 0.000 2.350 198 V HA 0.363 4.483 4.120 0.001 0.000 0.285 198 V C -0.016 176.105 176.094 0.046 0.000 1.014 198 V CA -0.867 61.462 62.300 0.047 0.000 0.831 198 V CB 1.213 33.065 31.823 0.048 0.000 1.000 198 V HN 0.739 nan 8.190 nan 0.000 0.433 199 L N 3.540 124.796 121.223 0.054 0.000 2.260 199 L HA 0.500 4.841 4.340 0.001 0.000 0.289 199 L C 0.322 177.232 176.870 0.066 0.000 1.057 199 L CA -0.414 54.456 54.840 0.050 0.000 0.811 199 L CB 1.070 43.156 42.059 0.044 0.000 1.184 199 L HN 0.579 nan 8.230 nan 0.000 0.429 200 E N 5.927 126.161 120.200 0.056 0.000 2.290 200 E HA 0.219 4.569 4.350 0.001 0.000 0.277 200 E C -2.283 174.379 176.600 0.103 0.000 1.035 200 E CA -1.588 54.853 56.400 0.068 0.000 0.873 200 E CB 0.711 30.440 29.700 0.049 0.000 1.029 200 E HN 0.209 nan 8.360 nan 0.000 0.419 201 P HA 0.030 nan 4.420 nan 0.000 0.266 201 P C -0.898 176.606 177.300 0.341 0.000 1.195 201 P CA 0.192 63.482 63.100 0.317 0.000 0.768 201 P CB 0.476 32.498 31.700 0.538 0.000 0.838 202 K N 2.148 122.691 120.400 0.239 0.000 2.274 202 K HA 0.528 4.848 4.320 0.001 0.000 0.262 202 K C 0.498 176.883 176.600 -0.358 0.000 0.961 202 K CA -0.379 55.923 56.287 0.024 0.000 0.833 202 K CB 2.047 34.516 32.500 -0.052 0.000 1.102 202 K HN 0.612 nan 8.250 nan 0.000 0.436 203 G N 2.957 111.446 108.800 -0.518 0.000 2.543 203 G HA2 0.408 4.369 3.960 0.001 0.000 0.290 203 G HA3 0.408 4.369 3.960 0.001 0.000 0.290 203 G C -2.197 172.395 174.900 -0.512 0.000 1.310 203 G CA -0.799 43.688 45.100 -1.022 0.000 1.025 203 G HN 0.361 nan 8.290 nan 0.000 0.502 204 P HA 0.278 nan 4.420 nan 0.000 0.275 204 P C -1.318 175.631 177.300 -0.584 0.000 1.228 204 P CA -0.084 62.788 63.100 -0.381 0.000 0.786 204 P CB 0.723 32.336 31.700 -0.146 0.000 0.927 205 F N 2.707 122.634 119.950 -0.038 0.000 2.311 205 F HA 0.325 4.853 4.527 0.000 0.000 0.371 205 F C -1.879 173.938 175.800 0.028 0.000 1.083 205 F CA -2.465 55.453 58.000 -0.137 0.000 1.113 205 F CB 0.998 39.765 39.000 -0.389 0.000 1.349 205 F HN 0.081 nan 8.300 nan 0.000 0.470 206 P HA -0.058 nan 4.420 nan 0.000 0.264 206 P C 1.006 178.401 177.300 0.159 0.000 1.183 206 P CA 0.218 63.415 63.100 0.161 0.000 0.763 206 P CB 0.938 32.725 31.700 0.144 0.000 0.807 207 V N 2.540 122.489 119.914 0.059 0.000 2.490 207 V HA -0.240 3.880 4.120 0.001 0.000 0.250 207 V C 2.271 178.243 176.094 -0.204 0.000 1.061 207 V CA 2.609 64.848 62.300 -0.102 0.000 1.064 207 V CB -1.334 30.450 31.823 -0.065 0.000 0.670 207 V HN 0.692 nan 8.190 nan 0.000 0.461 208 S N 0.148 115.812 115.700 -0.060 0.000 2.383 208 S HA -0.219 4.252 4.470 0.001 0.000 0.227 208 S C 1.913 176.511 174.600 -0.002 0.000 1.026 208 S CA 1.321 59.495 58.200 -0.043 0.000 0.981 208 S CB -0.362 62.840 63.200 0.004 0.000 0.818 208 S HN 0.629 nan 8.310 nan 0.000 0.472 209 K N 0.982 121.432 120.400 0.083 0.000 2.167 209 K HA 0.061 4.381 4.320 0.001 0.000 0.203 209 K C 2.642 179.311 176.600 0.116 0.000 1.052 209 K CA 1.104 57.476 56.287 0.142 0.000 0.956 209 K CB -0.163 32.491 32.500 0.257 0.000 0.735 209 K HN 0.484 nan 8.250 nan 0.000 0.451 210 Q N 0.694 120.604 119.800 0.183 0.000 2.079 210 Q HA -0.194 4.146 4.340 0.001 0.000 0.200 210 Q C 2.093 178.094 176.000 0.003 0.000 0.974 210 Q CA 1.347 57.257 55.803 0.178 0.000 0.840 210 Q CB 0.035 28.874 28.738 0.168 0.000 0.898 210 Q HN 0.351 nan 8.270 nan 0.000 0.430 211 E N 0.519 120.583 120.200 -0.227 0.000 2.051 211 E HA -0.214 4.137 4.350 0.001 0.000 0.192 211 E C 1.949 178.576 176.600 0.044 0.000 0.991 211 E CA 0.966 57.319 56.400 -0.078 0.000 0.799 211 E CB -0.070 29.545 29.700 -0.141 0.000 0.748 211 E HN 0.330 nan 8.360 nan 0.000 0.449 212 A N 1.154 123.989 122.820 0.026 0.000 1.892 212 A HA -0.212 4.108 4.320 0.001 0.000 0.218 212 A C 2.173 179.745 177.584 -0.020 0.000 1.188 212 A CA 1.563 53.649 52.037 0.082 0.000 0.631 212 A CB -0.810 18.301 19.000 0.185 0.000 0.822 212 A HN 0.399 nan 8.150 nan 0.000 0.447 213 L N -0.430 120.618 121.223 -0.291 0.000 2.083 213 L HA -0.166 4.174 4.340 0.001 0.000 0.209 213 L C 2.460 179.375 176.870 0.074 0.000 1.083 213 L CA 2.099 56.598 54.840 -0.568 0.000 0.752 213 L CB -0.675 41.016 42.059 -0.614 0.000 0.899 213 L HN 0.486 nan 8.230 nan 0.000 0.433 214 C N -0.696 118.711 119.300 0.178 0.000 2.440 214 C HA -0.074 4.386 4.460 0.001 0.000 0.278 214 C C 2.778 177.947 174.990 0.298 0.000 1.295 214 C CA 0.585 59.781 59.018 0.297 0.000 1.738 214 C CB -0.975 26.938 27.740 0.288 0.000 1.987 214 C HN 0.496 nan 8.230 nan 0.000 0.492 215 R N -0.340 120.303 120.500 0.238 0.000 2.090 215 R HA -0.086 4.255 4.340 0.001 0.000 0.228 215 R C 2.078 178.545 176.300 0.279 0.000 1.110 215 R CA 1.363 57.617 56.100 0.258 0.000 0.973 215 R CB -0.584 29.783 30.300 0.111 0.000 0.869 215 R HN 0.550 nan 8.270 nan 0.000 0.440 216 F N 0.834 120.825 119.950 0.068 0.000 2.091 216 F HA -0.243 4.285 4.527 0.001 0.000 0.299 216 F C 1.623 177.430 175.800 0.011 0.000 1.103 216 F CA 1.572 59.560 58.000 -0.019 0.000 1.228 216 F CB -0.226 38.631 39.000 -0.239 0.000 0.984 216 F HN -0.126 nan 8.300 nan 0.000 0.477 217 F N -0.249 119.860 119.950 0.264 0.000 2.325 217 F HA -0.098 4.429 4.527 0.000 0.000 0.299 217 F C 2.305 178.311 175.800 0.343 0.000 1.090 217 F CA 1.002 59.202 58.000 0.333 0.000 1.392 217 F CB -0.668 38.620 39.000 0.480 0.000 1.053 217 F HN -0.037 nan 8.300 nan 0.000 0.521 218 M N -0.371 119.455 119.600 0.376 0.000 2.159 218 M HA -0.210 4.270 4.480 0.001 0.000 0.263 218 M C 1.644 178.139 176.300 0.325 0.000 1.063 218 M CA 1.470 56.941 55.300 0.285 0.000 1.110 218 M CB -0.475 32.199 32.600 0.122 0.000 1.374 218 M HN -0.033 nan 8.290 nan 0.000 0.411 219 D N 0.202 120.766 120.400 0.274 0.000 2.117 219 D HA -0.124 4.516 4.640 0.001 0.000 0.197 219 D C 2.122 178.442 176.300 0.032 0.000 0.987 219 D CA 1.224 55.318 54.000 0.156 0.000 0.829 219 D CB -0.454 40.364 40.800 0.031 0.000 0.961 219 D HN 0.144 nan 8.370 nan 0.000 0.460 220 V N 0.207 120.077 119.914 -0.074 0.000 2.332 220 V HA -0.215 3.905 4.120 0.001 0.000 0.248 220 V C 2.033 178.128 176.094 0.001 0.000 1.055 220 V CA 1.169 63.418 62.300 -0.085 0.000 1.038 220 V CB -0.370 31.436 31.823 -0.029 0.000 0.651 220 V HN 0.395 nan 8.190 nan 0.000 0.450 221 W N -0.138 121.212 121.300 0.083 0.000 3.180 221 W HA 0.121 4.782 4.660 0.000 0.000 0.254 221 W C 1.046 177.620 176.519 0.092 0.000 1.318 221 W CA 0.316 57.725 57.345 0.107 0.000 1.608 221 W CB -0.101 29.439 29.460 0.134 0.000 1.124 221 W HN 0.378 nan 8.180 nan 0.000 0.694 222 K N -0.809 119.728 120.400 0.228 0.000 3.117 222 K HA -0.283 4.037 4.320 0.001 0.000 0.269 222 K C -0.128 176.542 176.600 0.116 0.000 1.098 222 K CA 0.161 56.533 56.287 0.143 0.000 0.785 222 K CB -2.263 30.288 32.500 0.085 0.000 1.242 222 K HN -0.006 nan 8.250 nan 0.000 0.491 223 F N 2.384 122.315 119.950 -0.032 0.000 2.602 223 F HA -0.026 4.501 4.527 0.001 0.000 0.385 223 F C 0.913 176.537 175.800 -0.293 0.000 1.063 223 F CA 0.004 57.861 58.000 -0.239 0.000 1.233 223 F CB 0.401 39.116 39.000 -0.475 0.000 1.067 223 F HN 0.067 nan 8.300 nan 0.000 0.564 224 D N 6.399 126.390 120.400 -0.682 0.000 2.374 224 D HA 0.015 4.655 4.640 0.001 0.000 0.240 224 D C 0.589 176.648 176.300 -0.401 0.000 1.229 224 D CA 0.144 53.912 54.000 -0.386 0.000 0.895 224 D CB -0.110 40.497 40.800 -0.322 0.000 1.046 224 D HN 0.525 nan 8.370 nan 0.000 0.498 225 F N 1.164 121.166 119.950 0.086 0.000 2.661 225 F HA -0.035 4.492 4.527 0.000 0.000 0.298 225 F C 1.893 177.748 175.800 0.091 0.000 1.137 225 F CA 0.213 58.339 58.000 0.210 0.000 1.454 225 F CB 0.412 39.550 39.000 0.230 0.000 1.103 225 F HN 0.300 nan 8.300 nan 0.000 0.577 226 D N -0.477 120.027 120.400 0.174 0.000 2.363 226 D HA -0.006 4.634 4.640 0.001 0.000 0.220 226 D C 1.890 178.207 176.300 0.029 0.000 0.994 226 D CA 0.771 54.827 54.000 0.093 0.000 0.890 226 D CB 0.041 40.877 40.800 0.060 0.000 0.906 226 D HN 0.305 nan 8.370 nan 0.000 0.530 227 G N -0.357 108.419 108.800 -0.040 0.000 4.100 227 G HA2 0.496 4.456 3.960 0.001 0.000 0.294 227 G HA3 0.496 4.456 3.960 0.001 0.000 0.294 227 G C 0.386 175.200 174.900 -0.143 0.000 1.040 227 G CA 0.096 45.135 45.100 -0.102 0.000 0.829 227 G HN 0.351 nan 8.290 nan 0.000 0.505 228 G N -0.200 108.595 108.800 -0.007 0.000 2.430 228 G HA2 0.626 4.586 3.960 0.001 0.000 0.300 228 G HA3 0.626 4.586 3.960 0.001 0.000 0.300 228 G C -1.663 173.460 174.900 0.373 0.000 1.330 228 G CA -0.957 44.231 45.100 0.147 0.000 0.813 228 G HN 0.318 nan 8.290 nan 0.000 0.487 229 R N -1.391 119.314 120.500 0.341 0.000 2.739 229 R HA 0.629 4.969 4.340 0.001 0.000 0.271 229 R C -1.794 174.589 176.300 0.139 0.000 1.010 229 R CA -0.843 55.420 56.100 0.273 0.000 0.897 229 R CB 2.471 32.860 30.300 0.149 0.000 1.236 229 R HN 0.519 nan 8.270 nan 0.000 0.466 230 L N 1.168 122.501 121.223 0.183 0.000 2.322 230 L HA 0.551 4.891 4.340 0.001 0.000 0.281 230 L C -1.165 175.804 176.870 0.165 0.000 1.014 230 L CA 0.236 55.141 54.840 0.109 0.000 0.815 230 L CB 1.428 43.560 42.059 0.122 0.000 1.247 230 L HN 0.589 nan 8.230 nan 0.000 0.421 231 D N 2.665 123.156 120.400 0.152 0.000 2.697 231 D HA 0.434 5.074 4.640 0.001 0.000 0.296 231 D C -1.345 175.010 176.300 0.093 0.000 1.175 231 D CA -0.336 53.766 54.000 0.169 0.000 1.007 231 D CB 2.381 43.336 40.800 0.259 0.000 1.450 231 D HN 0.262 nan 8.370 nan 0.000 0.507 232 V N 0.900 120.863 119.914 0.082 0.000 2.472 232 V HA 0.530 4.650 4.120 0.001 0.000 0.290 232 V C 0.128 176.223 176.094 0.001 0.000 1.037 232 V CA -0.127 62.191 62.300 0.032 0.000 0.908 232 V CB 1.325 33.199 31.823 0.085 0.000 0.985 232 V HN 0.708 nan 8.190 nan 0.000 0.454 233 S N 2.962 118.658 115.700 -0.008 0.000 2.651 233 S HA 0.727 5.197 4.470 0.001 0.000 0.279 233 S C 0.732 175.319 174.600 -0.021 0.000 1.148 233 S CA -0.086 58.134 58.200 0.033 0.000 0.837 233 S CB 1.845 65.150 63.200 0.175 0.000 1.138 233 S HN 0.994 nan 8.310 nan 0.000 0.478 234 A N -0.015 122.774 122.820 -0.051 0.000 2.024 234 A HA 0.098 4.419 4.320 0.001 0.000 0.220 234 A C 0.459 177.750 177.584 -0.488 0.000 1.164 234 A CA 1.292 53.181 52.037 -0.246 0.000 0.643 234 A CB -0.922 17.928 19.000 -0.251 0.000 0.806 234 A HN 0.860 nan 8.150 nan 0.000 0.451 235 H N -1.846 117.247 119.070 0.038 0.000 2.759 235 H HA 0.423 4.979 4.556 0.001 0.000 0.354 235 H C -2.940 172.458 175.328 0.116 0.000 1.074 235 H CA -2.093 53.980 56.048 0.042 0.000 1.226 235 H CB 1.325 31.088 29.762 0.002 0.000 1.648 235 H HN -0.026 nan 8.280 nan 0.000 0.529 236 P HA 0.024 nan 4.420 nan 0.000 0.266 236 P C -1.055 176.398 177.300 0.255 0.000 1.215 236 P CA 0.207 63.381 63.100 0.123 0.000 0.763 236 P CB 0.044 31.770 31.700 0.043 0.000 0.806 237 F N 1.468 121.446 119.950 0.047 0.000 2.650 237 F HA 0.709 5.237 4.527 0.001 0.000 0.320 237 F C -1.405 174.449 175.800 0.089 0.000 1.091 237 F CA -1.375 56.657 58.000 0.053 0.000 0.962 237 F CB 0.894 39.891 39.000 -0.005 0.000 1.363 237 F HN 0.269 nan 8.300 nan 0.000 0.482 238 C N 2.320 121.712 119.300 0.155 0.000 2.301 238 C HA 0.946 5.406 4.460 0.001 0.000 0.323 238 C C 0.249 175.370 174.990 0.218 0.000 1.265 238 C CA 0.550 59.605 59.018 0.060 0.000 1.503 238 C CB -0.262 27.525 27.740 0.078 0.000 2.195 238 C HN 1.246 nan 8.230 nan 0.000 0.477 239 G N 4.455 113.391 108.800 0.226 0.000 3.058 239 G HA2 0.584 4.544 3.960 0.001 0.000 0.282 239 G HA3 0.584 4.544 3.960 0.001 0.000 0.282 239 G C -0.359 174.647 174.900 0.178 0.000 1.248 239 G CA 0.150 45.479 45.100 0.381 0.000 0.822 239 G HN 1.005 nan 8.290 nan 0.000 0.579 240 N N -1.990 116.818 118.700 0.180 0.000 1.243 240 N HA -0.202 4.538 4.740 0.001 0.000 0.121 240 N C 0.036 175.512 175.510 -0.056 0.000 0.850 240 N CA 1.394 54.434 53.050 -0.016 0.000 0.883 240 N CB -1.158 37.187 38.487 -0.236 0.000 1.027 240 N HN 0.765 nan 8.380 nan 0.000 0.616 241 S N -0.954 114.674 115.700 -0.119 0.000 2.677 241 S HA 0.450 4.920 4.470 0.001 0.000 0.304 241 S C 0.589 175.170 174.600 -0.033 0.000 1.108 241 S CA -0.666 57.483 58.200 -0.084 0.000 0.944 241 S CB 1.926 65.045 63.200 -0.136 0.000 1.127 241 S HN 0.463 nan 8.310 nan 0.000 0.511 242 K N 0.970 121.385 120.400 0.024 0.000 2.147 242 K HA -0.116 4.204 4.320 0.001 0.000 0.205 242 K C 0.845 177.441 176.600 -0.007 0.000 1.049 242 K CA 1.378 57.677 56.287 0.019 0.000 0.936 242 K CB -0.092 32.451 32.500 0.072 0.000 0.722 242 K HN 0.494 nan 8.250 nan 0.000 0.446 243 E N 0.456 120.671 120.200 0.026 0.000 2.502 243 E HA -0.049 4.301 4.350 0.001 0.000 0.194 243 E C -0.227 176.355 176.600 -0.031 0.000 1.062 243 E CA 0.441 56.847 56.400 0.009 0.000 0.867 243 E CB 0.284 30.023 29.700 0.064 0.000 0.888 243 E HN 0.101 nan 8.360 nan 0.000 0.510 244 D N 0.024 120.389 120.400 -0.058 0.000 3.036 244 D HA 0.038 4.679 4.640 0.001 0.000 0.244 244 D C -1.415 174.816 176.300 -0.114 0.000 1.337 244 D CA -0.232 53.715 54.000 -0.089 0.000 0.829 244 D CB 0.267 41.011 40.800 -0.093 0.000 1.478 244 D HN -0.220 nan 8.370 nan 0.000 0.570 245 V N 3.037 122.904 119.914 -0.078 0.000 2.432 245 V HA 0.468 4.588 4.120 0.001 0.000 0.271 245 V C 0.657 176.780 176.094 0.047 0.000 1.046 245 V CA -0.191 62.097 62.300 -0.021 0.000 0.945 245 V CB 1.130 32.950 31.823 -0.005 0.000 0.992 245 V HN 0.194 nan 8.190 nan 0.000 0.471 246 R N 5.604 126.076 120.500 -0.046 0.000 2.409 246 R HA 0.642 4.982 4.340 0.001 0.000 0.313 246 R C -0.572 175.705 176.300 -0.038 0.000 0.953 246 R CA -0.511 55.541 56.100 -0.081 0.000 0.849 246 R CB 1.921 31.915 30.300 -0.510 0.000 1.171 246 R HN 0.825 nan 8.270 nan 0.000 0.458 247 I N -0.957 119.583 120.570 -0.051 0.000 2.707 247 I HA 0.707 4.877 4.170 0.001 0.000 0.309 247 I C -0.065 175.942 176.117 -0.183 0.000 1.001 247 I CA -0.661 60.535 61.300 -0.174 0.000 1.129 247 I CB 2.367 40.289 38.000 -0.129 0.000 1.308 247 I HN 0.517 nan 8.210 nan 0.000 0.466 248 T N 0.180 114.555 114.554 -0.298 0.000 2.883 248 T HA 0.704 5.054 4.350 0.001 0.000 0.296 248 T C -0.460 174.156 174.700 -0.140 0.000 1.117 248 T CA -0.656 61.328 62.100 -0.194 0.000 1.006 248 T CB 1.937 70.657 68.868 -0.246 0.000 1.191 248 T HN 0.928 nan 8.240 nan 0.000 0.508 249 T N -0.313 114.147 114.554 -0.156 0.000 2.787 249 T HA 0.639 4.989 4.350 0.001 0.000 0.297 249 T C -1.834 172.654 174.700 -0.354 0.000 1.221 249 T CA -0.793 61.161 62.100 -0.242 0.000 1.006 249 T CB 1.963 70.643 68.868 -0.313 0.000 1.328 249 T HN 0.843 nan 8.240 nan 0.000 0.509 250 K N 1.036 121.196 120.400 -0.401 0.000 2.375 250 K HA 0.627 4.948 4.320 0.001 0.000 0.249 250 K C -1.721 174.610 176.600 -0.450 0.000 0.942 250 K CA -0.678 55.398 56.287 -0.352 0.000 0.806 250 K CB 1.490 33.891 32.500 -0.165 0.000 1.227 250 K HN 0.612 nan 8.250 nan 0.000 0.430 251 Y N 0.019 120.351 120.300 0.053 0.000 2.429 251 Y HA 0.373 4.923 4.550 0.000 0.000 0.342 251 Y C 0.313 176.254 175.900 0.069 0.000 1.004 251 Y CA -0.800 57.346 58.100 0.077 0.000 1.075 251 Y CB 2.425 40.945 38.460 0.101 0.000 1.214 251 Y HN 0.422 nan 8.280 nan 0.000 0.455 252 T N 0.808 115.510 114.554 0.247 0.000 2.900 252 T HA 0.235 4.586 4.350 0.001 0.000 0.295 252 T C 0.464 175.288 174.700 0.207 0.000 1.044 252 T CA -0.593 61.614 62.100 0.177 0.000 0.995 252 T CB 1.247 70.183 68.868 0.114 0.000 1.072 252 T HN 0.836 nan 8.240 nan 0.000 0.473 253 E N 1.247 121.542 120.200 0.159 0.000 2.338 253 E HA -0.091 4.259 4.350 0.001 0.000 0.197 253 E C 1.837 178.543 176.600 0.177 0.000 1.007 253 E CA 1.456 57.948 56.400 0.154 0.000 0.849 253 E CB 0.110 29.851 29.700 0.069 0.000 0.774 253 E HN 0.849 nan 8.360 nan 0.000 0.506 254 T N -0.911 113.740 114.554 0.162 0.000 2.985 254 T HA -0.104 4.246 4.350 0.001 0.000 0.266 254 T C 0.501 175.376 174.700 0.291 0.000 1.076 254 T CA 0.807 62.993 62.100 0.144 0.000 1.135 254 T CB -0.004 68.913 68.868 0.082 0.000 0.890 254 T HN 0.197 nan 8.240 nan 0.000 0.480 255 E N -0.043 120.350 120.200 0.322 0.000 2.401 255 E HA 0.474 4.825 4.350 0.001 0.000 0.280 255 E C -0.301 176.338 176.600 0.064 0.000 1.039 255 E CA -1.046 55.467 56.400 0.187 0.000 0.814 255 E CB 0.184 29.877 29.700 -0.010 0.000 1.275 255 E HN 0.185 nan 8.360 nan 0.000 0.448 256 F N -0.246 119.560 119.950 -0.240 0.000 2.746 256 F HA 0.406 4.933 4.527 0.000 0.000 0.313 256 F C 0.814 176.575 175.800 -0.063 0.000 1.095 256 F CA -0.327 57.570 58.000 -0.172 0.000 1.224 256 F CB -0.144 38.604 39.000 -0.421 0.000 1.060 256 F HN 0.277 nan 8.300 nan 0.000 0.584 257 V N 0.978 120.497 119.914 -0.658 0.000 2.295 257 V HA -0.267 3.853 4.120 0.001 0.000 0.246 257 V C 2.424 178.457 176.094 -0.103 0.000 1.049 257 V CA 2.746 64.820 62.300 -0.376 0.000 1.024 257 V CB -1.101 30.463 31.823 -0.430 0.000 0.648 257 V HN 0.512 nan 8.190 nan 0.000 0.447 258 T N -0.032 114.468 114.554 -0.090 0.000 2.635 258 T HA -0.212 4.139 4.350 0.001 0.000 0.267 258 T C 2.111 176.806 174.700 -0.009 0.000 1.040 258 T CA 2.166 64.243 62.100 -0.039 0.000 1.156 258 T CB -0.288 68.561 68.868 -0.031 0.000 0.863 258 T HN 0.521 nan 8.240 nan 0.000 0.430 259 S N 0.868 116.588 115.700 0.033 0.000 2.387 259 S HA 0.133 4.603 4.470 0.001 0.000 0.226 259 S C 1.940 176.593 174.600 0.088 0.000 1.026 259 S CA 0.425 58.646 58.200 0.034 0.000 0.972 259 S CB -0.347 62.911 63.200 0.096 0.000 0.814 259 S HN 0.325 nan 8.310 nan 0.000 0.477 260 L N 1.243 122.555 121.223 0.148 0.000 2.005 260 L HA -0.023 4.317 4.340 0.001 0.000 0.207 260 L C 2.055 178.949 176.870 0.039 0.000 1.072 260 L CA 1.405 56.331 54.840 0.145 0.000 0.744 260 L CB -0.354 41.832 42.059 0.213 0.000 0.895 260 L HN 0.328 nan 8.230 nan 0.000 0.433 261 L N -0.626 120.608 121.223 0.018 0.000 2.083 261 L HA -0.135 4.206 4.340 0.001 0.000 0.209 261 L C 2.617 179.471 176.870 -0.027 0.000 1.083 261 L CA 1.142 55.969 54.840 -0.022 0.000 0.752 261 L CB -1.103 40.948 42.059 -0.013 0.000 0.899 261 L HN 0.370 nan 8.230 nan 0.000 0.433 262 G N -0.262 108.525 108.800 -0.021 0.000 2.446 262 G HA2 -0.229 3.732 3.960 0.001 0.000 0.217 262 G HA3 -0.229 3.732 3.960 0.001 0.000 0.217 262 G C 1.570 176.469 174.900 -0.001 0.000 1.168 262 G CA 1.011 46.097 45.100 -0.024 0.000 0.771 262 G HN 0.201 nan 8.290 nan 0.000 0.551 263 V N 0.960 120.864 119.914 -0.018 0.000 2.515 263 V HA -0.093 4.028 4.120 0.001 0.000 0.250 263 V C 2.747 178.770 176.094 -0.118 0.000 1.058 263 V CA 1.232 63.510 62.300 -0.037 0.000 1.064 263 V CB -0.273 31.561 31.823 0.018 0.000 0.675 263 V HN 0.394 nan 8.190 nan 0.000 0.461 264 I N -0.432 120.031 120.570 -0.179 0.000 2.252 264 I HA -0.272 3.898 4.170 0.001 0.000 0.245 264 I C 2.488 178.359 176.117 -0.411 0.000 1.102 264 I CA 1.916 62.939 61.300 -0.462 0.000 1.385 264 I CB -0.473 37.212 38.000 -0.526 0.000 1.064 264 I HN 0.400 nan 8.210 nan 0.000 0.414 265 H N 1.141 120.044 119.070 -0.278 0.000 2.319 265 H HA -0.198 4.359 4.556 0.001 0.000 0.297 265 H C 2.104 177.344 175.328 -0.147 0.000 1.097 265 H CA 1.911 57.838 56.048 -0.202 0.000 1.285 265 H CB 0.245 29.944 29.762 -0.104 0.000 1.368 265 H HN 0.174 nan 8.280 nan 0.000 0.495 266 E N -0.594 119.664 120.200 0.096 0.000 2.158 266 E HA -0.076 4.274 4.350 0.001 0.000 0.191 266 E C 2.285 178.907 176.600 0.037 0.000 0.982 266 E CA 1.174 57.664 56.400 0.150 0.000 0.823 266 E CB -0.291 29.474 29.700 0.109 0.000 0.766 266 E HN 0.532 nan 8.360 nan 0.000 0.468 267 T N 0.535 115.023 114.554 -0.110 0.000 2.746 267 T HA -0.099 4.252 4.350 0.001 0.000 0.267 267 T C 1.901 176.528 174.700 -0.121 0.000 1.039 267 T CA 1.380 63.407 62.100 -0.121 0.000 1.142 267 T CB -0.495 68.220 68.868 -0.255 0.000 0.866 267 T HN 0.362 nan 8.240 nan 0.000 0.444 268 G N 1.408 110.053 108.800 -0.258 0.000 2.446 268 G HA2 -0.298 3.662 3.960 0.001 0.000 0.217 268 G HA3 -0.298 3.662 3.960 0.001 0.000 0.217 268 G C 1.391 176.267 174.900 -0.041 0.000 1.168 268 G CA 0.798 45.801 45.100 -0.160 0.000 0.771 268 G HN 0.482 nan 8.290 nan 0.000 0.551 269 H N 0.915 119.997 119.070 0.020 0.000 2.319 269 H HA -0.050 4.506 4.556 0.001 0.000 0.299 269 H C 2.974 178.397 175.328 0.158 0.000 1.092 269 H CA 1.424 57.599 56.048 0.212 0.000 1.302 269 H CB -0.683 29.174 29.762 0.158 0.000 1.373 269 H HN 0.378 nan 8.280 nan 0.000 0.497 270 A N 1.592 124.534 122.820 0.203 0.000 1.902 270 A HA -0.164 4.156 4.320 0.001 0.000 0.217 270 A C 2.354 179.881 177.584 -0.095 0.000 1.181 270 A CA 1.419 53.525 52.037 0.115 0.000 0.623 270 A CB -0.175 19.006 19.000 0.301 0.000 0.818 270 A HN 0.166 nan 8.150 nan 0.000 0.443 271 K N -1.136 119.146 120.400 -0.197 0.000 2.152 271 K HA -0.144 4.176 4.320 0.001 0.000 0.206 271 K C 1.834 177.774 176.600 -1.100 0.000 1.048 271 K CA 1.280 57.222 56.287 -0.575 0.000 0.933 271 K CB -0.628 31.552 32.500 -0.534 0.000 0.721 271 K HN 0.654 nan 8.250 nan 0.000 0.447 272 Y N 2.567 122.221 120.300 -1.076 0.000 2.133 272 Y HA -0.134 4.417 4.550 0.001 0.000 0.287 272 Y C 1.970 177.552 175.900 -0.530 0.000 1.134 272 Y CA 1.281 58.727 58.100 -1.090 0.000 1.133 272 Y CB -0.180 37.873 38.460 -0.678 0.000 0.987 272 Y HN 0.052 nan 8.280 nan 0.000 0.502 273 E N 0.319 120.405 120.200 -0.191 0.000 2.077 273 E HA -0.234 4.116 4.350 0.001 0.000 0.193 273 E C 2.071 178.582 176.600 -0.148 0.000 0.989 273 E CA 1.380 57.693 56.400 -0.145 0.000 0.800 273 E CB -0.363 29.318 29.700 -0.033 0.000 0.746 273 E HN 0.660 nan 8.360 nan 0.000 0.452 274 Q N -0.036 119.637 119.800 -0.211 0.000 2.291 274 Q HA -0.017 4.323 4.340 0.001 0.000 0.205 274 Q C 0.945 176.853 176.000 -0.154 0.000 0.970 274 Q CA 0.593 56.270 55.803 -0.211 0.000 0.876 274 Q CB 0.145 28.692 28.738 -0.318 0.000 0.935 274 Q HN 0.225 nan 8.270 nan 0.000 0.455 275 N N -0.784 117.820 118.700 -0.159 0.000 2.197 275 N HA 0.063 4.803 4.740 0.001 0.000 0.228 275 N C -0.652 174.909 175.510 0.084 0.000 1.212 275 N CA -0.081 52.961 53.050 -0.014 0.000 0.883 275 N CB 0.810 39.347 38.487 0.083 0.000 1.107 275 N HN 0.050 nan 8.380 nan 0.000 0.519 276 C N 1.961 121.280 119.300 0.031 0.000 2.638 276 C HA 0.426 4.887 4.460 0.001 0.000 0.410 276 C C 1.449 176.478 174.990 0.066 0.000 1.404 276 C CA -0.204 58.856 59.018 0.071 0.000 1.651 276 C CB -1.162 26.546 27.740 -0.053 0.000 2.495 276 C HN 0.456 nan 8.230 nan 0.000 0.606 277 G N 6.276 115.128 108.800 0.086 0.000 2.671 277 G HA2 0.672 4.632 3.960 0.001 0.000 0.275 277 G HA3 0.672 4.632 3.960 0.001 0.000 0.275 277 G C -2.956 171.978 174.900 0.057 0.000 1.368 277 G CA -0.754 44.382 45.100 0.059 0.000 1.044 277 G HN 0.530 nan 8.290 nan 0.000 0.543 278 P HA 0.220 nan 4.420 nan 0.000 0.279 278 P C -0.257 177.138 177.300 0.158 0.000 1.239 278 P CA -0.488 62.656 63.100 0.073 0.000 0.789 278 P CB 0.870 32.572 31.700 0.002 0.000 0.933 279 K N 1.645 122.116 120.400 0.118 0.000 2.469 279 K HA 0.175 4.496 4.320 0.001 0.000 0.274 279 K C 1.268 177.961 176.600 0.156 0.000 0.983 279 K CA 1.270 57.619 56.287 0.103 0.000 0.974 279 K CB -0.533 32.000 32.500 0.055 0.000 0.913 279 K HN 0.800 nan 8.250 nan 0.000 0.493 280 G N 2.909 111.737 108.800 0.046 0.000 2.199 280 G HA2 -0.263 3.697 3.960 0.001 0.000 0.254 280 G HA3 -0.263 3.697 3.960 0.001 0.000 0.254 280 G C 0.285 175.009 174.900 -0.293 0.000 0.982 280 G CA 0.245 45.284 45.100 -0.101 0.000 0.632 280 G HN 0.594 nan 8.290 nan 0.000 0.529 281 F N 0.940 120.865 119.950 -0.041 0.000 2.805 281 F HA 0.436 4.963 4.527 0.001 0.000 0.317 281 F C 1.596 177.331 175.800 -0.108 0.000 1.146 281 F CA 0.008 57.974 58.000 -0.057 0.000 1.265 281 F CB 0.801 39.783 39.000 -0.031 0.000 0.992 281 F HN 0.085 nan 8.300 nan 0.000 0.511 282 E N -0.240 119.940 120.200 -0.034 0.000 2.160 282 E HA -0.174 4.176 4.350 0.001 0.000 0.195 282 E C 2.207 178.591 176.600 -0.360 0.000 0.991 282 E CA 1.872 58.207 56.400 -0.108 0.000 0.810 282 E CB -0.237 29.413 29.700 -0.084 0.000 0.742 282 E HN 0.304 nan 8.360 nan 0.000 0.466 283 T N -1.685 112.594 114.554 -0.458 0.000 3.188 283 T HA 0.108 4.459 4.350 0.001 0.000 0.250 283 T C 0.501 174.915 174.700 -0.478 0.000 1.077 283 T CA -0.331 61.210 62.100 -0.932 0.000 0.967 283 T CB 0.194 68.733 68.868 -0.548 0.000 1.006 283 T HN -0.186 nan 8.240 nan 0.000 0.552 284 Q N 1.328 121.012 119.800 -0.194 0.000 2.297 284 Q HA 0.357 4.697 4.340 0.001 0.000 0.268 284 Q C -2.023 173.984 176.000 0.012 0.000 1.045 284 Q CA -2.563 53.231 55.803 -0.014 0.000 0.861 284 Q CB 2.164 30.965 28.738 0.105 0.000 1.344 284 Q HN 0.012 nan 8.270 nan 0.000 0.452 285 P HA -0.114 nan 4.420 nan 0.000 0.222 285 P C 1.257 178.546 177.300 -0.019 0.000 1.147 285 P CA 0.714 63.814 63.100 -0.001 0.000 0.790 285 P CB 0.358 31.999 31.700 -0.098 0.000 0.780 286 V N -0.264 119.621 119.914 -0.049 0.000 2.759 286 V HA -0.111 4.010 4.120 0.001 0.000 0.256 286 V C 1.233 177.304 176.094 -0.037 0.000 1.080 286 V CA 1.308 63.561 62.300 -0.078 0.000 1.101 286 V CB -0.792 30.907 31.823 -0.205 0.000 0.698 286 V HN 0.207 nan 8.190 nan 0.000 0.477 287 C N 4.172 123.474 119.300 0.004 0.000 2.364 287 C HA 0.665 5.125 4.460 0.001 0.000 0.405 287 C C -0.005 174.996 174.990 0.018 0.000 1.122 287 C CA -0.765 58.266 59.018 0.022 0.000 1.601 287 C CB -1.963 25.806 27.740 0.049 0.000 1.601 287 C HN 0.620 nan 8.230 nan 0.000 0.509 288 M N 2.400 122.001 119.600 0.002 0.000 2.644 288 M HA 0.724 5.204 4.480 0.001 0.000 0.273 288 M C -0.420 175.828 176.300 -0.087 0.000 1.253 288 M CA -0.446 54.839 55.300 -0.025 0.000 0.852 288 M CB 1.495 34.116 32.600 0.035 0.000 1.708 288 M HN 0.261 nan 8.290 nan 0.000 0.471 289 A N 1.594 124.282 122.820 -0.219 0.000 2.520 289 A HA 0.258 4.578 4.320 0.001 0.000 0.235 289 A C 0.861 178.455 177.584 0.017 0.000 1.065 289 A CA 0.076 51.910 52.037 -0.339 0.000 0.764 289 A CB 0.309 19.048 19.000 -0.435 0.000 1.002 289 A HN 0.977 nan 8.150 nan 0.000 0.502 290 R N 0.848 121.447 120.500 0.164 0.000 2.075 290 R HA -0.031 4.310 4.340 0.001 0.000 0.232 290 R C 0.612 176.983 176.300 0.118 0.000 1.126 290 R CA 1.984 58.167 56.100 0.139 0.000 0.963 290 R CB -0.272 30.121 30.300 0.156 0.000 0.858 290 R HN 1.144 nan 8.270 nan 0.000 0.435 291 S N -3.202 112.593 115.700 0.158 0.000 2.611 291 S HA 0.223 4.694 4.470 0.001 0.000 0.268 291 S C 0.560 175.267 174.600 0.177 0.000 1.156 291 S CA -0.871 57.409 58.200 0.134 0.000 0.817 291 S CB 0.306 63.562 63.200 0.093 0.000 1.122 291 S HN 0.040 nan 8.310 nan 0.000 0.466 292 L N 1.023 122.316 121.223 0.117 0.000 2.083 292 L HA 0.036 4.377 4.340 0.001 0.000 0.209 292 L C 2.706 179.622 176.870 0.077 0.000 1.083 292 L CA 1.917 56.794 54.840 0.061 0.000 0.752 292 L CB -1.052 40.916 42.059 -0.152 0.000 0.899 292 L HN 1.030 nan 8.230 nan 0.000 0.433 293 G N -0.657 108.171 108.800 0.048 0.000 2.418 293 G HA2 -0.197 3.764 3.960 0.001 0.000 0.217 293 G HA3 -0.197 3.764 3.960 0.001 0.000 0.217 293 G C 1.556 176.511 174.900 0.091 0.000 1.158 293 G CA 0.908 46.037 45.100 0.047 0.000 0.771 293 G HN 0.220 nan 8.290 nan 0.000 0.545 294 V N -0.112 119.880 119.914 0.131 0.000 2.488 294 V HA -0.105 4.015 4.120 0.001 0.000 0.246 294 V C 2.461 178.682 176.094 0.212 0.000 1.046 294 V CA 1.561 63.937 62.300 0.126 0.000 1.053 294 V CB -0.483 31.422 31.823 0.136 0.000 0.679 294 V HN 0.405 nan 8.190 nan 0.000 0.458 295 H N 0.510 119.766 119.070 0.310 0.000 2.293 295 H HA -0.162 4.394 4.556 0.000 0.000 0.300 295 H C 2.396 177.921 175.328 0.328 0.000 1.082 295 H CA 2.231 58.542 56.048 0.438 0.000 1.308 295 H CB 0.025 29.992 29.762 0.341 0.000 1.375 295 H HN 0.445 nan 8.280 nan 0.000 0.495 296 E N 0.033 120.498 120.200 0.442 0.000 2.160 296 E HA -0.091 4.259 4.350 0.001 0.000 0.195 296 E C 2.410 179.052 176.600 0.070 0.000 0.991 296 E CA 1.132 57.682 56.400 0.251 0.000 0.810 296 E CB -0.714 29.125 29.700 0.232 0.000 0.742 296 E HN 0.560 nan 8.360 nan 0.000 0.466 297 G N -0.012 108.835 108.800 0.077 0.000 2.469 297 G HA2 -0.297 3.663 3.960 0.001 0.000 0.220 297 G HA3 -0.297 3.663 3.960 0.001 0.000 0.220 297 G C 1.433 176.348 174.900 0.024 0.000 1.136 297 G CA 0.890 46.004 45.100 0.024 0.000 0.759 297 G HN 0.219 nan 8.290 nan 0.000 0.562 298 Q N 0.955 120.761 119.800 0.010 0.000 2.137 298 Q HA -0.030 4.310 4.340 0.001 0.000 0.198 298 Q C 3.005 178.969 176.000 -0.061 0.000 0.960 298 Q CA 1.466 57.280 55.803 0.019 0.000 0.847 298 Q CB -0.670 28.096 28.738 0.048 0.000 0.915 298 Q HN 0.632 nan 8.270 nan 0.000 0.448 299 S N 0.819 116.304 115.700 -0.359 0.000 2.355 299 S HA -0.055 4.415 4.470 0.001 0.000 0.222 299 S C 2.101 176.418 174.600 -0.472 0.000 1.031 299 S CA 0.816 58.571 58.200 -0.741 0.000 0.993 299 S CB -0.626 61.522 63.200 -1.754 0.000 0.859 299 S HN 0.263 nan 8.310 nan 0.000 0.453 300 L N -0.269 120.790 121.223 -0.273 0.000 2.217 300 L HA 0.088 4.428 4.340 0.001 0.000 0.211 300 L C 2.419 179.275 176.870 -0.023 0.000 1.107 300 L CA 1.092 55.878 54.840 -0.090 0.000 0.783 300 L CB -0.585 41.452 42.059 -0.037 0.000 0.919 300 L HN 0.247 nan 8.230 nan 0.000 0.442 301 F N 1.033 120.918 119.950 -0.109 0.000 2.126 301 F HA -0.310 4.218 4.527 0.001 0.000 0.299 301 F C 2.430 178.230 175.800 -0.000 0.000 1.096 301 F CA 1.621 59.586 58.000 -0.058 0.000 1.255 301 F CB -0.057 38.922 39.000 -0.035 0.000 0.997 301 F HN 0.021 nan 8.300 nan 0.000 0.479 302 A N -0.464 122.474 122.820 0.197 0.000 1.854 302 A HA -0.175 4.145 4.320 0.001 0.000 0.214 302 A C 2.215 179.762 177.584 -0.061 0.000 1.192 302 A CA 1.586 53.721 52.037 0.165 0.000 0.611 302 A CB -0.957 17.950 19.000 -0.156 0.000 0.832 302 A HN 0.525 nan 8.150 nan 0.000 0.442 303 E N -1.402 118.718 120.200 -0.134 0.000 2.046 303 E HA -0.138 4.212 4.350 0.001 0.000 0.190 303 E C 1.865 178.425 176.600 -0.067 0.000 0.982 303 E CA 1.278 57.613 56.400 -0.109 0.000 0.800 303 E CB -0.079 29.625 29.700 0.007 0.000 0.756 303 E HN 0.444 nan 8.360 nan 0.000 0.449 304 M N -0.094 119.475 119.600 -0.052 0.000 2.557 304 M HA 0.031 4.511 4.480 0.001 0.000 0.262 304 M C 2.122 178.388 176.300 -0.056 0.000 1.168 304 M CA 0.811 56.109 55.300 -0.003 0.000 1.194 304 M CB -0.653 31.973 32.600 0.042 0.000 1.311 304 M HN 0.030 nan 8.290 nan 0.000 0.489 305 Q N 0.298 119.975 119.800 -0.204 0.000 2.083 305 Q HA 0.060 4.401 4.340 0.001 0.000 0.198 305 Q C 2.122 177.960 176.000 -0.270 0.000 0.969 305 Q CA 1.421 57.024 55.803 -0.332 0.000 0.838 305 Q CB -0.001 28.346 28.738 -0.651 0.000 0.900 305 Q HN 0.509 nan 8.270 nan 0.000 0.436 306 I N -0.564 119.848 120.570 -0.263 0.000 2.499 306 I HA -0.012 4.159 4.170 0.001 0.000 0.243 306 I C 2.321 178.271 176.117 -0.278 0.000 1.085 306 I CA 0.893 62.067 61.300 -0.210 0.000 1.422 306 I CB -0.599 37.324 38.000 -0.127 0.000 1.165 306 I HN 0.144 nan 8.210 nan 0.000 0.440 307 G N 0.925 109.529 108.800 -0.328 0.000 2.448 307 G HA2 -0.179 3.781 3.960 0.001 0.000 0.219 307 G HA3 -0.179 3.781 3.960 0.001 0.000 0.219 307 G C 1.597 176.481 174.900 -0.027 0.000 1.127 307 G CA 0.442 45.258 45.100 -0.473 0.000 0.766 307 G HN 0.287 nan 8.290 nan 0.000 0.552 308 R N 0.520 121.037 120.500 0.028 0.000 2.507 308 R HA 0.194 4.535 4.340 0.001 0.000 0.298 308 R C 0.458 176.827 176.300 0.114 0.000 0.999 308 R CA 0.061 56.229 56.100 0.114 0.000 1.082 308 R CB 0.535 30.904 30.300 0.115 0.000 1.246 308 R HN 0.374 nan 8.270 nan 0.000 0.553 309 S N -1.319 114.456 115.700 0.125 0.000 2.617 309 S HA 0.273 4.743 4.470 0.001 0.000 0.269 309 S C 1.430 176.117 174.600 0.144 0.000 1.292 309 S CA -0.431 57.832 58.200 0.105 0.000 1.010 309 S CB 1.817 65.069 63.200 0.087 0.000 0.944 309 S HN 0.199 nan 8.310 nan 0.000 0.536 310 G N 0.887 109.738 108.800 0.085 0.000 2.418 310 G HA2 -0.025 3.935 3.960 0.001 0.000 0.217 310 G HA3 -0.025 3.935 3.960 0.001 0.000 0.217 310 G C 1.542 176.510 174.900 0.113 0.000 1.158 310 G CA 0.701 45.851 45.100 0.084 0.000 0.771 310 G HN 1.092 nan 8.290 nan 0.000 0.545 311 A N 0.471 123.360 122.820 0.115 0.000 1.892 311 A HA -0.046 4.275 4.320 0.001 0.000 0.218 311 A C 2.190 179.896 177.584 0.204 0.000 1.188 311 A CA 1.727 53.841 52.037 0.129 0.000 0.631 311 A CB -0.643 18.417 19.000 0.100 0.000 0.822 311 A HN 0.385 nan 8.150 nan 0.000 0.447 312 F N 0.041 120.046 119.950 0.092 0.000 2.216 312 F HA -0.157 4.370 4.527 0.001 0.000 0.300 312 F C 2.211 178.132 175.800 0.202 0.000 1.085 312 F CA 1.536 59.629 58.000 0.155 0.000 1.326 312 F CB -0.141 38.940 39.000 0.136 0.000 1.027 312 F HN 0.100 nan 8.300 nan 0.000 0.497 313 M N -0.086 119.603 119.600 0.148 0.000 2.229 313 M HA -0.166 4.314 4.480 0.001 0.000 0.264 313 M C 1.950 178.266 176.300 0.028 0.000 1.063 313 M CA 1.323 56.658 55.300 0.059 0.000 1.114 313 M CB -1.324 31.339 32.600 0.104 0.000 1.387 313 M HN 0.254 nan 8.290 nan 0.000 0.420 314 E N -0.524 119.717 120.200 0.068 0.000 2.110 314 E HA -0.206 4.144 4.350 0.001 0.000 0.193 314 E C 1.846 178.491 176.600 0.074 0.000 0.988 314 E CA 1.144 57.587 56.400 0.070 0.000 0.804 314 E CB -0.293 29.462 29.700 0.091 0.000 0.745 314 E HN 0.379 nan 8.360 nan 0.000 0.458 315 F N 1.163 121.063 119.950 -0.084 0.000 2.163 315 F HA -0.106 4.421 4.527 0.001 0.000 0.297 315 F C 2.074 177.815 175.800 -0.100 0.000 1.094 315 F CA 0.731 58.679 58.000 -0.087 0.000 1.290 315 F CB -0.134 38.809 39.000 -0.095 0.000 1.017 315 F HN -0.030 nan 8.300 nan 0.000 0.483 316 L N 0.641 121.750 121.223 -0.191 0.000 2.056 316 L HA 0.009 4.350 4.340 0.001 0.000 0.207 316 L C 2.466 179.231 176.870 -0.174 0.000 1.078 316 L CA 2.017 56.749 54.840 -0.181 0.000 0.749 316 L CB -1.435 40.471 42.059 -0.255 0.000 0.901 316 L HN 0.139 nan 8.230 nan 0.000 0.433 317 A N 0.299 123.046 122.820 -0.123 0.000 1.873 317 A HA -0.161 4.160 4.320 0.001 0.000 0.218 317 A C 0.090 177.591 177.584 -0.138 0.000 1.193 317 A CA 2.232 54.214 52.037 -0.091 0.000 0.629 317 A CB -2.195 16.810 19.000 0.008 0.000 0.826 317 A HN 0.463 nan 8.150 nan 0.000 0.447 318 P HA -0.130 nan 4.420 nan 0.000 0.218 318 P C 1.275 178.441 177.300 -0.223 0.000 1.149 318 P CA 0.942 63.949 63.100 -0.155 0.000 0.817 318 P CB -0.083 31.517 31.700 -0.167 0.000 0.785 319 R N -0.489 119.827 120.500 -0.307 0.000 2.090 319 R HA 0.044 4.385 4.340 0.001 0.000 0.228 319 R C 2.335 178.482 176.300 -0.255 0.000 1.110 319 R CA 0.890 56.812 56.100 -0.297 0.000 0.973 319 R CB -1.719 28.349 30.300 -0.387 0.000 0.869 319 R HN 0.313 nan 8.270 nan 0.000 0.440 320 L N 0.344 121.339 121.223 -0.379 0.000 2.012 320 L HA -0.176 4.164 4.340 0.001 0.000 0.210 320 L C 2.483 179.130 176.870 -0.372 0.000 1.073 320 L CA 1.150 55.609 54.840 -0.634 0.000 0.748 320 L CB -0.720 40.599 42.059 -1.234 0.000 0.891 320 L HN -0.087 nan 8.230 nan 0.000 0.431 321 V N -0.037 119.781 119.914 -0.161 0.000 2.255 321 V HA -0.329 3.792 4.120 0.001 0.000 0.247 321 V C 2.550 178.643 176.094 -0.001 0.000 1.051 321 V CA 2.223 64.586 62.300 0.106 0.000 1.018 321 V CB -0.564 31.311 31.823 0.086 0.000 0.641 321 V HN 0.552 nan 8.190 nan 0.000 0.445 322 E N -0.792 119.332 120.200 -0.128 0.000 2.051 322 E HA -0.242 4.108 4.350 0.001 0.000 0.192 322 E C 2.163 178.552 176.600 -0.352 0.000 0.991 322 E CA 1.822 58.079 56.400 -0.237 0.000 0.799 322 E CB -0.215 29.289 29.700 -0.326 0.000 0.748 322 E HN 0.733 nan 8.360 nan 0.000 0.449 323 Y N -1.518 118.526 120.300 -0.427 0.000 2.365 323 Y HA -0.058 4.493 4.550 0.000 0.000 0.293 323 Y C 1.535 177.154 175.900 -0.469 0.000 1.119 323 Y CA 0.791 58.544 58.100 -0.578 0.000 1.203 323 Y CB 0.266 38.142 38.460 -0.972 0.000 1.026 323 Y HN 0.095 nan 8.280 nan 0.000 0.549 324 F N -1.234 118.787 119.950 0.118 0.000 2.727 324 F HA 0.484 5.011 4.527 0.000 0.000 0.302 324 F C 1.097 177.028 175.800 0.219 0.000 1.107 324 F CA 0.243 58.370 58.000 0.212 0.000 1.277 324 F CB 0.237 39.452 39.000 0.358 0.000 1.079 324 F HN -0.108 nan 8.300 nan 0.000 0.594 325 G N 0.956 109.955 108.800 0.331 0.000 2.675 325 G HA2 -0.118 3.843 3.960 0.001 0.000 0.686 325 G HA3 -0.118 3.843 3.960 0.001 0.000 0.686 325 G C -1.228 173.866 174.900 0.323 0.000 1.215 325 G CA -1.096 44.144 45.100 0.235 0.000 0.777 325 G HN 0.028 nan 8.290 nan 0.000 0.638 326 D N 0.626 121.143 120.400 0.195 0.000 2.399 326 D HA 0.538 5.179 4.640 0.001 0.000 0.241 326 D C 0.742 177.055 176.300 0.021 0.000 1.133 326 D CA 0.805 54.911 54.000 0.178 0.000 0.890 326 D CB 0.705 41.565 40.800 0.099 0.000 1.201 326 D HN 0.813 nan 8.370 nan 0.000 0.432 327 Q N 0.891 120.613 119.800 -0.129 0.000 2.578 327 Q HA 0.392 4.732 4.340 0.001 0.000 0.284 327 Q C -2.541 173.340 176.000 -0.199 0.000 0.960 327 Q CA -1.335 54.321 55.803 -0.245 0.000 0.809 327 Q CB 1.364 29.860 28.738 -0.402 0.000 1.462 327 Q HN -0.011 nan 8.270 nan 0.000 0.392 328 P HA -0.202 nan 4.420 nan 0.000 0.217 328 P C 0.967 178.265 177.300 -0.004 0.000 1.148 328 P CA 2.225 65.302 63.100 -0.038 0.000 0.828 328 P CB 0.003 31.687 31.700 -0.027 0.000 0.783 329 A N -1.239 121.544 122.820 -0.060 0.000 2.067 329 A HA -0.115 4.205 4.320 0.001 0.000 0.219 329 A C 0.869 178.636 177.584 0.305 0.000 1.158 329 A CA 0.853 52.936 52.037 0.077 0.000 0.661 329 A CB -1.260 17.782 19.000 0.070 0.000 0.801 329 A HN 0.065 nan 8.150 nan 0.000 0.452 330 F N 1.870 121.892 119.950 0.120 0.000 2.669 330 F HA 0.272 4.800 4.527 0.001 0.000 0.353 330 F C 1.072 176.916 175.800 0.073 0.000 1.192 330 F CA -0.328 57.738 58.000 0.110 0.000 1.317 330 F CB -1.120 37.945 39.000 0.109 0.000 1.652 330 F HN 0.160 nan 8.300 nan 0.000 0.608 331 T N -4.345 110.359 114.554 0.250 0.000 2.924 331 T HA 0.314 4.664 4.350 0.001 0.000 0.291 331 T C 1.208 175.983 174.700 0.124 0.000 1.045 331 T CA -0.427 61.762 62.100 0.149 0.000 1.015 331 T CB 2.073 71.008 68.868 0.111 0.000 1.103 331 T HN 0.044 nan 8.240 nan 0.000 0.496 332 S N 0.910 116.662 115.700 0.086 0.000 2.359 332 S HA -0.187 4.284 4.470 0.001 0.000 0.222 332 S C 2.211 176.859 174.600 0.080 0.000 1.038 332 S CA 2.382 60.626 58.200 0.074 0.000 1.051 332 S CB -0.915 62.320 63.200 0.059 0.000 0.944 332 S HN 0.845 nan 8.310 nan 0.000 0.433 333 S N 0.802 116.546 115.700 0.073 0.000 2.368 333 S HA -0.161 4.309 4.470 0.001 0.000 0.225 333 S C 1.840 176.485 174.600 0.076 0.000 1.030 333 S CA 1.984 60.223 58.200 0.066 0.000 0.999 333 S CB -0.856 62.377 63.200 0.055 0.000 0.844 333 S HN 0.709 nan 8.310 nan 0.000 0.459 334 N N 0.120 118.875 118.700 0.091 0.000 2.216 334 N HA 0.021 4.761 4.740 0.001 0.000 0.183 334 N C 1.819 177.400 175.510 0.119 0.000 1.017 334 N CA 1.413 54.524 53.050 0.102 0.000 0.861 334 N CB -0.212 38.344 38.487 0.115 0.000 0.986 334 N HN 0.289 nan 8.380 nan 0.000 0.428 335 M N 0.651 120.335 119.600 0.141 0.000 2.229 335 M HA -0.051 4.429 4.480 0.001 0.000 0.264 335 M C 1.960 178.332 176.300 0.120 0.000 1.063 335 M CA 1.016 56.406 55.300 0.150 0.000 1.114 335 M CB -0.873 31.828 32.600 0.168 0.000 1.387 335 M HN 0.256 nan 8.290 nan 0.000 0.420 336 K N 0.490 120.953 120.400 0.104 0.000 2.032 336 K HA -0.183 4.137 4.320 0.001 0.000 0.209 336 K C 2.075 178.725 176.600 0.084 0.000 1.048 336 K CA 1.540 57.880 56.287 0.089 0.000 0.927 336 K CB 0.054 32.595 32.500 0.068 0.000 0.712 336 K HN 0.252 nan 8.250 nan 0.000 0.441 337 R N -0.001 120.547 120.500 0.080 0.000 2.092 337 R HA -0.077 4.263 4.340 0.001 0.000 0.231 337 R C 2.322 178.672 176.300 0.082 0.000 1.119 337 R CA 1.288 57.435 56.100 0.078 0.000 0.970 337 R CB -0.259 30.082 30.300 0.069 0.000 0.864 337 R HN 0.055 nan 8.270 nan 0.000 0.440 338 V N 1.279 121.242 119.914 0.083 0.000 2.295 338 V HA -0.222 3.899 4.120 0.001 0.000 0.246 338 V C 2.190 178.322 176.094 0.064 0.000 1.049 338 V CA 1.489 63.830 62.300 0.068 0.000 1.024 338 V CB -0.304 31.561 31.823 0.071 0.000 0.648 338 V HN 0.274 nan 8.190 nan 0.000 0.447 339 I N -0.391 120.229 120.570 0.082 0.000 2.716 339 I HA -0.081 4.089 4.170 0.001 0.000 0.259 339 I C 1.859 178.051 176.117 0.125 0.000 1.172 339 I CA 1.222 62.574 61.300 0.088 0.000 1.478 339 I CB -0.785 37.281 38.000 0.110 0.000 1.104 339 I HN 0.437 nan 8.210 nan 0.000 0.439 340 Q N 0.679 120.566 119.800 0.146 0.000 2.217 340 Q HA 0.146 4.487 4.340 0.001 0.000 0.226 340 Q C 0.297 176.458 176.000 0.268 0.000 0.875 340 Q CA -0.197 55.756 55.803 0.250 0.000 0.974 340 Q CB 0.424 29.252 28.738 0.150 0.000 1.079 340 Q HN 0.275 nan 8.270 nan 0.000 0.463 341 R N 0.879 121.469 120.500 0.150 0.000 2.537 341 R HA 0.166 4.507 4.340 0.001 0.000 0.280 341 R C -0.706 175.632 176.300 0.064 0.000 1.058 341 R CA 0.104 56.264 56.100 0.099 0.000 1.057 341 R CB 0.910 31.246 30.300 0.061 0.000 0.973 341 R HN -0.029 nan 8.270 nan 0.000 0.438 342 V N 2.597 122.532 119.914 0.035 0.000 2.334 342 V HA 0.187 4.307 4.120 0.001 0.000 0.281 342 V C -0.123 175.968 176.094 -0.006 0.000 1.016 342 V CA -0.198 62.084 62.300 -0.029 0.000 0.832 342 V CB 1.446 33.222 31.823 -0.078 0.000 0.999 342 V HN 0.698 nan 8.190 nan 0.000 0.439 343 S N 6.525 122.223 115.700 -0.003 0.000 2.673 343 S HA 0.575 5.045 4.470 0.001 0.000 0.256 343 S C -2.664 171.945 174.600 0.014 0.000 1.141 343 S CA -0.909 57.295 58.200 0.007 0.000 1.109 343 S CB 1.463 64.671 63.200 0.014 0.000 1.101 343 S HN 0.567 nan 8.310 nan 0.000 0.471 344 P HA 0.524 nan 4.420 nan 0.000 0.269 344 P C 0.154 177.480 177.300 0.043 0.000 1.215 344 P CA -0.051 63.067 63.100 0.030 0.000 0.780 344 P CB 0.786 32.487 31.700 0.003 0.000 0.898 345 G N -0.038 108.812 108.800 0.084 0.000 2.721 345 G HA2 0.373 4.333 3.960 0.001 0.000 0.296 345 G HA3 0.373 4.333 3.960 0.001 0.000 0.296 345 G C -0.007 174.982 174.900 0.148 0.000 1.383 345 G CA -0.728 44.420 45.100 0.080 0.000 0.788 345 G HN 0.390 nan 8.290 nan 0.000 0.500 346 L N -0.191 121.099 121.223 0.111 0.000 2.375 346 L HA 0.274 4.614 4.340 0.001 0.000 0.215 346 L C 0.207 177.183 176.870 0.176 0.000 1.108 346 L CA 0.613 55.538 54.840 0.141 0.000 0.830 346 L CB -0.105 42.006 42.059 0.086 0.000 0.959 346 L HN 0.204 nan 8.230 nan 0.000 0.457 347 I N 0.235 120.846 120.570 0.069 0.000 2.330 347 I HA 0.130 4.300 4.170 0.001 0.000 0.289 347 I C 1.259 177.203 176.117 -0.288 0.000 1.001 347 I CA 0.007 61.282 61.300 -0.040 0.000 1.193 347 I CB 1.166 39.144 38.000 -0.037 0.000 1.345 347 I HN 0.184 nan 8.210 nan 0.000 0.461 348 R N 6.629 126.870 120.500 -0.431 0.000 2.096 348 R HA -0.178 4.163 4.340 0.001 0.000 0.240 348 R C 2.036 177.995 176.300 -0.568 0.000 1.139 348 R CA 2.259 57.839 56.100 -0.867 0.000 0.952 348 R CB -0.132 29.800 30.300 -0.613 0.000 0.854 348 R HN 0.785 nan 8.270 nan 0.000 0.436 349 I N -1.192 119.214 120.570 -0.274 0.000 2.335 349 I HA -0.176 3.994 4.170 0.001 0.000 0.251 349 I C 0.409 176.495 176.117 -0.051 0.000 1.129 349 I CA 1.558 62.797 61.300 -0.102 0.000 1.402 349 I CB -0.427 37.556 38.000 -0.030 0.000 1.069 349 I HN 0.026 nan 8.210 nan 0.000 0.424 350 D N 2.119 122.462 120.400 -0.094 0.000 2.325 350 D HA 0.324 4.964 4.640 0.001 0.000 0.225 350 D C 0.907 177.182 176.300 -0.042 0.000 1.096 350 D CA 0.202 54.173 54.000 -0.048 0.000 0.844 350 D CB 0.338 41.115 40.800 -0.037 0.000 0.925 350 D HN 0.441 nan 8.370 nan 0.000 0.513 351 A N 1.409 124.182 122.820 -0.078 0.000 2.371 351 A HA 0.320 4.641 4.320 0.001 0.000 0.257 351 A C 0.383 178.032 177.584 0.109 0.000 1.089 351 A CA -0.566 51.456 52.037 -0.026 0.000 0.794 351 A CB 0.334 19.215 19.000 -0.200 0.000 1.029 351 A HN 0.137 nan 8.150 nan 0.000 0.488 352 D N 0.398 120.845 120.400 0.079 0.000 2.393 352 D HA 0.109 4.749 4.640 0.001 0.000 0.246 352 D C 0.915 177.272 176.300 0.095 0.000 1.275 352 D CA 0.121 54.160 54.000 0.065 0.000 0.979 352 D CB 0.376 41.185 40.800 0.014 0.000 1.101 352 D HN 0.651 nan 8.370 nan 0.000 0.505 353 E N -1.076 119.163 120.200 0.066 0.000 2.110 353 E HA -0.179 4.171 4.350 0.001 0.000 0.193 353 E C 1.811 178.453 176.600 0.070 0.000 0.988 353 E CA 0.523 56.992 56.400 0.115 0.000 0.804 353 E CB -0.055 29.789 29.700 0.240 0.000 0.745 353 E HN 0.497 nan 8.360 nan 0.000 0.458 354 L N 0.096 121.221 121.223 -0.164 0.000 2.131 354 L HA -0.056 4.284 4.340 0.001 0.000 0.206 354 L C 2.106 178.938 176.870 -0.063 0.000 1.087 354 L CA 1.355 56.059 54.840 -0.227 0.000 0.767 354 L CB -0.291 41.432 42.059 -0.560 0.000 0.917 354 L HN 0.284 nan 8.230 nan 0.000 0.441 355 C N -1.864 117.436 119.300 0.001 0.000 2.485 355 C HA -0.056 4.404 4.460 0.001 0.000 0.278 355 C C 2.487 177.618 174.990 0.234 0.000 1.356 355 C CA 0.091 59.156 59.018 0.078 0.000 1.747 355 C CB -1.000 26.809 27.740 0.115 0.000 2.001 355 C HN 0.637 nan 8.230 nan 0.000 0.501 356 Y N 3.222 123.595 120.300 0.120 0.000 2.069 356 Y HA -0.187 4.363 4.550 0.000 0.000 0.278 356 Y C -0.198 175.800 175.900 0.163 0.000 1.175 356 Y CA 2.348 60.524 58.100 0.127 0.000 1.134 356 Y CB -1.259 37.229 38.460 0.046 0.000 0.965 356 Y HN 0.264 nan 8.280 nan 0.000 0.498 357 P HA -0.177 nan 4.420 nan 0.000 0.222 357 P C 1.424 178.783 177.300 0.098 0.000 1.147 357 P CA 1.595 64.868 63.100 0.288 0.000 0.790 357 P CB -0.174 31.702 31.700 0.293 0.000 0.780 358 L N -1.450 119.767 121.223 -0.009 0.000 2.156 358 L HA -0.119 4.221 4.340 0.001 0.000 0.208 358 L C 2.663 179.420 176.870 -0.189 0.000 1.095 358 L CA 1.287 56.034 54.840 -0.155 0.000 0.770 358 L CB -1.158 40.781 42.059 -0.199 0.000 0.914 358 L HN 0.037 nan 8.230 nan 0.000 0.439 359 H N -1.040 117.910 119.070 -0.199 0.000 2.357 359 H HA -0.129 4.427 4.556 0.000 0.000 0.301 359 H C 2.262 177.377 175.328 -0.354 0.000 1.082 359 H CA 1.565 57.413 56.048 -0.333 0.000 1.342 359 H CB -0.267 29.231 29.762 -0.439 0.000 1.389 359 H HN 0.009 nan 8.280 nan 0.000 0.511 360 V N 0.605 120.462 119.914 -0.095 0.000 2.343 360 V HA -0.303 3.817 4.120 0.001 0.000 0.247 360 V C 2.443 178.517 176.094 -0.034 0.000 1.051 360 V CA 2.010 64.301 62.300 -0.015 0.000 1.036 360 V CB -0.567 31.411 31.823 0.259 0.000 0.654 360 V HN 0.431 nan 8.190 nan 0.000 0.451 361 M N 0.581 120.195 119.600 0.023 0.000 2.117 361 M HA -0.191 4.289 4.480 0.001 0.000 0.262 361 M C 2.139 178.394 176.300 -0.074 0.000 1.065 361 M CA 2.214 57.505 55.300 -0.016 0.000 1.114 361 M CB -0.194 32.398 32.600 -0.013 0.000 1.361 361 M HN 0.475 nan 8.290 nan 0.000 0.408 362 L N -0.752 120.413 121.223 -0.096 0.000 2.083 362 L HA -0.088 4.252 4.340 0.001 0.000 0.209 362 L C 2.105 178.801 176.870 -0.290 0.000 1.083 362 L CA 1.636 56.375 54.840 -0.168 0.000 0.752 362 L CB -1.072 40.774 42.059 -0.356 0.000 0.899 362 L HN 0.146 nan 8.230 nan 0.000 0.433 363 R N -0.895 119.388 120.500 -0.362 0.000 2.070 363 R HA -0.179 4.161 4.340 0.001 0.000 0.233 363 R C 2.380 178.626 176.300 -0.090 0.000 1.137 363 R CA 1.988 57.931 56.100 -0.262 0.000 0.945 363 R CB -1.049 28.917 30.300 -0.557 0.000 0.845 363 R HN 0.503 nan 8.270 nan 0.000 0.430 364 Y N 2.044 122.208 120.300 -0.226 0.000 2.102 364 Y HA -0.322 4.228 4.550 0.000 0.000 0.280 364 Y C 1.920 177.692 175.900 -0.213 0.000 1.178 364 Y CA 1.954 59.898 58.100 -0.261 0.000 1.146 364 Y CB -0.048 37.964 38.460 -0.747 0.000 0.968 364 Y HN 0.106 nan 8.280 nan 0.000 0.504 365 E N 0.220 120.177 120.200 -0.404 0.000 2.077 365 E HA -0.192 4.158 4.350 0.001 0.000 0.193 365 E C 2.221 178.637 176.600 -0.307 0.000 0.989 365 E CA 1.577 57.745 56.400 -0.387 0.000 0.800 365 E CB -0.190 29.442 29.700 -0.114 0.000 0.746 365 E HN 0.586 nan 8.360 nan 0.000 0.452 366 I N 1.134 121.593 120.570 -0.184 0.000 2.252 366 I HA -0.247 3.924 4.170 0.001 0.000 0.245 366 I C 2.189 178.241 176.117 -0.109 0.000 1.102 366 I CA 1.167 62.436 61.300 -0.052 0.000 1.385 366 I CB -0.214 37.868 38.000 0.136 0.000 1.064 366 I HN 0.114 nan 8.210 nan 0.000 0.414 367 E N 0.440 120.486 120.200 -0.256 0.000 2.077 367 E HA -0.260 4.090 4.350 0.001 0.000 0.193 367 E C 2.290 178.452 176.600 -0.730 0.000 0.989 367 E CA 0.922 56.962 56.400 -0.602 0.000 0.800 367 E CB -0.168 28.921 29.700 -1.018 0.000 0.746 367 E HN 0.350 nan 8.360 nan 0.000 0.452 368 R N 0.958 120.928 120.500 -0.883 0.000 2.073 368 R HA -0.169 4.171 4.340 0.001 0.000 0.234 368 R C 1.459 177.552 176.300 -0.345 0.000 1.134 368 R CA 1.785 57.413 56.100 -0.787 0.000 0.952 368 R CB -0.012 29.842 30.300 -0.744 0.000 0.850 368 R HN 0.083 nan 8.270 nan 0.000 0.433 369 D N 0.578 120.830 120.400 -0.247 0.000 2.178 369 D HA -0.118 4.522 4.640 0.001 0.000 0.202 369 D C 2.006 178.273 176.300 -0.055 0.000 0.974 369 D CA 0.827 54.763 54.000 -0.107 0.000 0.841 369 D CB -0.111 40.643 40.800 -0.078 0.000 0.953 369 D HN 0.250 nan 8.370 nan 0.000 0.478 370 L N 0.036 121.227 121.223 -0.053 0.000 2.046 370 L HA -0.137 4.204 4.340 0.001 0.000 0.208 370 L C 2.427 179.298 176.870 0.000 0.000 1.077 370 L CA 0.816 55.654 54.840 -0.004 0.000 0.747 370 L CB -0.274 41.812 42.059 0.044 0.000 0.896 370 L HN 0.038 nan 8.230 nan 0.000 0.432 371 M N -1.058 118.542 119.600 0.001 0.000 2.296 371 M HA -0.152 4.328 4.480 0.001 0.000 0.265 371 M C 1.374 177.743 176.300 0.115 0.000 1.064 371 M CA 1.326 56.672 55.300 0.078 0.000 1.109 371 M CB -0.921 31.765 32.600 0.143 0.000 1.396 371 M HN 0.155 nan 8.290 nan 0.000 0.430 372 D N 0.081 120.536 120.400 0.092 0.000 2.347 372 D HA 0.102 4.742 4.640 0.001 0.000 0.213 372 D C 1.105 177.430 176.300 0.041 0.000 0.985 372 D CA 0.659 54.721 54.000 0.104 0.000 0.879 372 D CB -0.069 40.790 40.800 0.098 0.000 0.919 372 D HN 0.496 nan 8.370 nan 0.000 0.526 373 G N 1.588 110.401 108.800 0.021 0.000 2.323 373 G HA2 -0.323 3.637 3.960 0.001 0.000 0.292 373 G HA3 -0.323 3.637 3.960 0.001 0.000 0.292 373 G C 0.972 175.877 174.900 0.010 0.000 1.040 373 G CA 0.332 45.437 45.100 0.008 0.000 0.942 373 G HN 0.240 nan 8.290 nan 0.000 0.506 374 N N -0.530 118.175 118.700 0.008 0.000 2.395 374 N HA 0.142 4.882 4.740 0.001 0.000 0.175 374 N C 1.289 176.802 175.510 0.005 0.000 1.029 374 N CA 1.506 54.559 53.050 0.006 0.000 0.897 374 N CB 0.290 38.778 38.487 0.001 0.000 0.991 374 N HN 0.955 nan 8.380 nan 0.000 0.441 375 I N -2.712 117.861 120.570 0.005 0.000 2.994 375 I HA 0.494 4.664 4.170 0.001 0.000 0.306 375 I C -1.040 175.086 176.117 0.015 0.000 1.195 375 I CA -0.860 60.448 61.300 0.014 0.000 1.001 375 I CB 2.541 40.554 38.000 0.022 0.000 1.244 375 I HN -0.338 nan 8.210 nan 0.000 0.437 376 E N 2.288 122.501 120.200 0.021 0.000 2.316 376 E HA 0.485 4.835 4.350 0.001 0.000 0.258 376 E C 0.633 177.255 176.600 0.037 0.000 0.952 376 E CA -0.629 55.781 56.400 0.017 0.000 0.818 376 E CB 1.840 31.545 29.700 0.007 0.000 1.260 376 E HN 0.786 nan 8.360 nan 0.000 0.416 377 A N 0.600 123.438 122.820 0.030 0.000 2.131 377 A HA -0.214 4.107 4.320 0.001 0.000 0.220 377 A C 1.229 178.853 177.584 0.068 0.000 1.158 377 A CA 1.959 54.031 52.037 0.059 0.000 0.665 377 A CB -0.516 18.505 19.000 0.035 0.000 0.795 377 A HN 0.514 nan 8.150 nan 0.000 0.460 378 E N -0.475 119.751 120.200 0.044 0.000 2.465 378 E HA 0.191 4.542 4.350 0.001 0.000 0.195 378 E C 0.710 177.334 176.600 0.040 0.000 1.028 378 E CA 0.381 56.803 56.400 0.036 0.000 0.899 378 E CB 0.079 29.791 29.700 0.019 0.000 1.032 378 E HN 0.665 nan 8.360 nan 0.000 0.468 379 E N 0.021 120.254 120.200 0.054 0.000 2.526 379 E HA 0.098 4.449 4.350 0.001 0.000 0.208 379 E C 1.067 177.719 176.600 0.088 0.000 0.997 379 E CA -0.019 56.414 56.400 0.056 0.000 0.961 379 E CB 0.676 30.402 29.700 0.043 0.000 1.030 379 E HN 0.078 nan 8.360 nan 0.000 0.483 380 V N 2.397 122.385 119.914 0.123 0.000 2.358 380 V HA -0.156 3.964 4.120 0.001 0.000 0.246 380 V C -0.728 175.482 176.094 0.193 0.000 1.047 380 V CA 1.854 64.274 62.300 0.200 0.000 1.035 380 V CB -1.175 30.811 31.823 0.273 0.000 0.658 380 V HN 0.246 nan 8.190 nan 0.000 0.452 381 P HA -0.233 nan 4.420 nan 0.000 0.215 381 P C 1.680 179.041 177.300 0.103 0.000 1.157 381 P CA 1.696 64.837 63.100 0.068 0.000 0.868 381 P CB -0.146 31.562 31.700 0.013 0.000 0.788 382 R N 0.147 120.690 120.500 0.072 0.000 2.091 382 R HA -0.090 4.250 4.340 0.001 0.000 0.238 382 R C 2.091 178.422 176.300 0.051 0.000 1.136 382 R CA 1.639 57.769 56.100 0.049 0.000 0.959 382 R CB -0.695 29.623 30.300 0.030 0.000 0.856 382 R HN 0.005 nan 8.270 nan 0.000 0.437 383 V N 0.051 120.008 119.914 0.072 0.000 2.548 383 V HA -0.200 3.920 4.120 0.001 0.000 0.249 383 V C 2.040 178.156 176.094 0.037 0.000 1.055 383 V CA 1.350 63.671 62.300 0.036 0.000 1.065 383 V CB -0.662 31.189 31.823 0.046 0.000 0.681 383 V HN 0.523 nan 8.190 nan 0.000 0.462 384 W N 1.572 122.835 121.300 -0.062 0.000 2.358 384 W HA -0.222 4.438 4.660 0.000 0.000 0.303 384 W C 2.316 178.766 176.519 -0.115 0.000 1.208 384 W CA 2.252 59.545 57.345 -0.086 0.000 1.274 384 W CB -0.504 28.918 29.460 -0.063 0.000 1.138 384 W HN 0.447 nan 8.180 nan 0.000 0.515 385 N N 0.512 119.333 118.700 0.202 0.000 2.058 385 N HA -0.231 4.510 4.740 0.001 0.000 0.191 385 N C 1.679 177.159 175.510 -0.049 0.000 1.037 385 N CA 2.527 55.624 53.050 0.079 0.000 0.848 385 N CB -0.613 37.910 38.487 0.060 0.000 1.021 385 N HN 0.160 nan 8.380 nan 0.000 0.422 386 E N -0.190 119.966 120.200 -0.073 0.000 2.118 386 E HA -0.178 4.173 4.350 0.001 0.000 0.195 386 E C 1.866 178.298 176.600 -0.282 0.000 0.992 386 E CA 1.144 57.461 56.400 -0.138 0.000 0.804 386 E CB 0.027 29.662 29.700 -0.107 0.000 0.741 386 E HN 0.413 nan 8.360 nan 0.000 0.458 387 K N -0.210 119.963 120.400 -0.377 0.000 2.062 387 K HA -0.017 4.303 4.320 0.001 0.000 0.205 387 K C 2.118 178.308 176.600 -0.683 0.000 1.051 387 K CA 0.816 56.667 56.287 -0.727 0.000 0.941 387 K CB 0.030 32.138 32.500 -0.653 0.000 0.719 387 K HN 0.082 nan 8.250 nan 0.000 0.440 388 M N 1.215 120.558 119.600 -0.428 0.000 2.159 388 M HA -0.146 4.335 4.480 0.001 0.000 0.263 388 M C 1.759 177.936 176.300 -0.206 0.000 1.063 388 M CA 1.698 56.819 55.300 -0.299 0.000 1.110 388 M CB -0.560 31.942 32.600 -0.164 0.000 1.374 388 M HN 0.049 nan 8.290 nan 0.000 0.411 389 K N -0.744 119.546 120.400 -0.183 0.000 2.057 389 K HA -0.088 4.232 4.320 0.001 0.000 0.206 389 K C 2.334 178.853 176.600 -0.136 0.000 1.050 389 K CA 1.591 57.802 56.287 -0.127 0.000 0.935 389 K CB -0.244 32.196 32.500 -0.099 0.000 0.715 389 K HN 0.144 nan 8.250 nan 0.000 0.439 390 S N -0.497 115.069 115.700 -0.224 0.000 2.371 390 S HA -0.084 4.386 4.470 0.001 0.000 0.224 390 S C 1.687 176.278 174.600 -0.016 0.000 1.029 390 S CA 0.924 59.018 58.200 -0.176 0.000 0.978 390 S CB -0.068 62.934 63.200 -0.330 0.000 0.833 390 S HN 0.242 nan 8.310 nan 0.000 0.466 391 Y N 0.484 120.698 120.300 -0.144 0.000 2.301 391 Y HA 0.401 4.951 4.550 0.000 0.000 0.295 391 Y C 1.774 177.573 175.900 -0.168 0.000 1.119 391 Y CA 0.135 58.134 58.100 -0.169 0.000 1.162 391 Y CB -0.417 37.910 38.460 -0.223 0.000 1.046 391 Y HN 0.184 nan 8.280 nan 0.000 0.538 392 L N -1.709 119.493 121.223 -0.035 0.000 2.766 392 L HA 0.358 4.698 4.340 0.001 0.000 0.242 392 L C 1.464 178.301 176.870 -0.054 0.000 1.136 392 L CA 0.576 55.370 54.840 -0.075 0.000 0.933 392 L CB 0.421 42.387 42.059 -0.154 0.000 1.241 392 L HN 0.321 nan 8.230 nan 0.000 0.522 393 G N 0.763 109.532 108.800 -0.051 0.000 2.159 393 G HA2 -0.266 3.694 3.960 0.001 0.000 0.256 393 G HA3 -0.266 3.694 3.960 0.001 0.000 0.256 393 G C 0.029 174.908 174.900 -0.036 0.000 0.977 393 G CA 0.066 45.144 45.100 -0.038 0.000 0.652 393 G HN 0.204 nan 8.290 nan 0.000 0.531 394 L N 0.294 121.490 121.223 -0.045 0.000 2.346 394 L HA 0.615 4.955 4.340 0.001 0.000 0.276 394 L C 0.278 177.134 176.870 -0.023 0.000 1.006 394 L CA -0.889 53.935 54.840 -0.026 0.000 0.817 394 L CB 2.008 44.059 42.059 -0.014 0.000 1.272 394 L HN 0.273 nan 8.230 nan 0.000 0.421 395 E N 0.907 121.102 120.200 -0.009 0.000 2.249 395 E HA 0.230 4.581 4.350 0.001 0.000 0.280 395 E C 0.089 176.701 176.600 0.021 0.000 1.016 395 E CA -0.263 56.138 56.400 0.000 0.000 0.830 395 E CB 1.250 30.948 29.700 -0.005 0.000 1.081 395 E HN 0.711 nan 8.360 nan 0.000 0.395 396 T N 1.866 116.447 114.554 0.045 0.000 3.043 396 T HA 0.099 4.449 4.350 0.001 0.000 0.272 396 T C 0.504 175.217 174.700 0.021 0.000 0.990 396 T CA -0.526 61.607 62.100 0.054 0.000 0.897 396 T CB 0.069 69.021 68.868 0.139 0.000 1.111 396 T HN 0.322 nan 8.240 nan 0.000 0.529 397 L N 3.031 124.266 121.223 0.019 0.000 2.559 397 L HA 0.501 4.841 4.340 0.001 0.000 0.274 397 L C 1.331 178.196 176.870 -0.009 0.000 1.205 397 L CA 1.538 56.381 54.840 0.005 0.000 0.907 397 L CB -0.591 41.471 42.059 0.004 0.000 1.153 397 L HN 0.605 nan 8.230 nan 0.000 0.490 398 G N 3.508 112.296 108.800 -0.020 0.000 2.199 398 G HA2 -0.334 3.626 3.960 0.001 0.000 0.254 398 G HA3 -0.334 3.626 3.960 0.001 0.000 0.254 398 G C 0.486 175.365 174.900 -0.034 0.000 0.982 398 G CA 0.363 45.449 45.100 -0.025 0.000 0.632 398 G HN 0.907 nan 8.290 nan 0.000 0.529 399 N N 1.095 119.771 118.700 -0.041 0.000 2.990 399 N HA 0.313 5.053 4.740 0.001 0.000 0.288 399 N C 0.779 176.230 175.510 -0.098 0.000 1.624 399 N CA -0.099 52.919 53.050 -0.053 0.000 0.961 399 N CB 0.257 38.724 38.487 -0.033 0.000 1.259 399 N HN 0.188 nan 8.380 nan 0.000 0.489 400 D N 0.361 120.689 120.400 -0.121 0.000 2.264 400 D HA -0.165 4.476 4.640 0.001 0.000 0.208 400 D C 1.504 177.671 176.300 -0.221 0.000 0.966 400 D CA 0.698 54.578 54.000 -0.201 0.000 0.864 400 D CB 0.564 41.268 40.800 -0.160 0.000 0.933 400 D HN 0.589 nan 8.370 nan 0.000 0.499 401 K N 1.356 121.670 120.400 -0.143 0.000 2.025 401 K HA -0.127 4.193 4.320 0.001 0.000 0.207 401 K C 1.333 177.854 176.600 -0.131 0.000 1.049 401 K CA 1.114 57.328 56.287 -0.123 0.000 0.933 401 K CB 0.126 32.581 32.500 -0.075 0.000 0.714 401 K HN -0.024 nan 8.250 nan 0.000 0.438 402 E N -0.290 119.846 120.200 -0.106 0.000 2.437 402 E HA 0.074 4.425 4.350 0.001 0.000 0.189 402 E C 0.568 177.122 176.600 -0.076 0.000 1.054 402 E CA -0.171 56.188 56.400 -0.070 0.000 0.874 402 E CB 0.995 30.681 29.700 -0.023 0.000 1.011 402 E HN 0.479 nan 8.360 nan 0.000 0.474 403 G N 0.347 108.998 108.800 -0.250 0.000 3.441 403 G HA2 -0.066 3.895 3.960 0.001 0.000 0.195 403 G HA3 -0.066 3.895 3.960 0.001 0.000 0.195 403 G C 1.413 175.514 174.900 -1.331 0.000 1.633 403 G CA 0.247 45.007 45.100 -0.567 0.000 0.895 403 G HN 0.403 nan 8.290 nan 0.000 0.654 404 C N 0.126 118.189 119.300 -2.061 0.000 2.422 404 C HA 0.122 4.582 4.460 0.001 0.000 0.279 404 C C 2.771 177.194 174.990 -0.944 0.000 1.305 404 C CA 0.525 58.300 59.018 -2.073 0.000 1.757 404 C CB -1.598 25.482 27.740 -1.100 0.000 1.962 404 C HN 0.345 nan 8.230 nan 0.000 0.499 405 L N 0.508 121.386 121.223 -0.576 0.000 2.376 405 L HA -0.106 4.234 4.340 0.001 0.000 0.219 405 L C 2.963 179.684 176.870 -0.249 0.000 1.133 405 L CA 1.020 55.676 54.840 -0.307 0.000 0.816 405 L CB -0.931 41.010 42.059 -0.195 0.000 0.933 405 L HN 0.452 nan 8.230 nan 0.000 0.449 406 Q N 0.286 119.912 119.800 -0.291 0.000 2.094 406 Q HA -0.253 4.088 4.340 0.001 0.000 0.217 406 Q C 0.122 176.070 176.000 -0.086 0.000 1.046 406 Q CA 1.744 57.450 55.803 -0.161 0.000 0.911 406 Q CB -0.126 28.536 28.738 -0.127 0.000 1.038 406 Q HN 0.468 nan 8.270 nan 0.000 0.422 407 D N -1.408 118.941 120.400 -0.085 0.000 2.181 407 D HA 0.090 4.731 4.640 0.001 0.000 0.248 407 D C 0.210 176.571 176.300 0.101 0.000 1.020 407 D CA -0.139 53.893 54.000 0.054 0.000 0.891 407 D CB 2.016 42.890 40.800 0.123 0.000 1.187 407 D HN -0.082 nan 8.370 nan 0.000 0.443 408 V N 2.541 122.553 119.914 0.164 0.000 2.970 408 V HA -0.202 3.918 4.120 0.001 0.000 0.260 408 V C 1.450 177.607 176.094 0.104 0.000 1.100 408 V CA 1.681 64.023 62.300 0.071 0.000 1.122 408 V CB -0.581 31.208 31.823 -0.056 0.000 0.721 408 V HN 0.488 nan 8.190 nan 0.000 0.483 409 H N -1.130 117.915 119.070 -0.042 0.000 2.319 409 H HA -0.186 4.371 4.556 0.001 0.000 0.297 409 H C 1.933 177.388 175.328 0.211 0.000 1.097 409 H CA 2.630 58.621 56.048 -0.095 0.000 1.285 409 H CB -0.404 29.110 29.762 -0.413 0.000 1.368 409 H HN 0.531 nan 8.280 nan 0.000 0.495 410 W N 0.849 122.330 121.300 0.301 0.000 2.379 410 W HA -0.097 4.563 4.660 0.001 0.000 0.307 410 W C 2.837 179.566 176.519 0.350 0.000 1.200 410 W CA 1.548 59.140 57.345 0.412 0.000 1.297 410 W CB -1.451 28.305 29.460 0.495 0.000 1.140 410 W HN 0.269 nan 8.180 nan 0.000 0.507 411 S N -0.265 115.689 115.700 0.423 0.000 2.440 411 S HA -0.074 4.396 4.470 0.001 0.000 0.238 411 S C 1.967 176.669 174.600 0.171 0.000 1.010 411 S CA 1.329 59.670 58.200 0.235 0.000 0.972 411 S CB -1.072 62.214 63.200 0.143 0.000 0.774 411 S HN 0.189 nan 8.310 nan 0.000 0.501 412 G N 0.708 109.605 108.800 0.161 0.000 2.776 412 G HA2 0.371 4.331 3.960 0.001 0.000 0.209 412 G HA3 0.371 4.331 3.960 0.001 0.000 0.209 412 G C 1.069 176.061 174.900 0.154 0.000 1.145 412 G CA -0.005 45.140 45.100 0.076 0.000 0.791 412 G HN 1.426 nan 8.290 nan 0.000 0.530 413 G N -0.182 108.809 108.800 0.320 0.000 2.221 413 G HA2 -0.290 3.670 3.960 0.001 0.000 0.265 413 G HA3 -0.290 3.670 3.960 0.001 0.000 0.265 413 G C 0.287 175.432 174.900 0.409 0.000 1.041 413 G CA 0.385 45.782 45.100 0.496 0.000 0.807 413 G HN 0.454 nan 8.290 nan 0.000 0.502 414 M N -0.237 119.533 119.600 0.284 0.000 2.027 414 M HA 0.547 5.027 4.480 0.001 0.000 0.329 414 M C -0.888 175.507 176.300 0.157 0.000 0.971 414 M CA -0.461 54.927 55.300 0.148 0.000 0.933 414 M CB 0.922 33.455 32.600 -0.111 0.000 1.392 414 M HN 0.105 nan 8.290 nan 0.000 0.394 415 F N 0.786 120.586 119.950 -0.250 0.000 2.495 415 F HA 0.668 5.196 4.527 0.001 0.000 0.327 415 F C 0.940 176.840 175.800 0.166 0.000 1.103 415 F CA 0.230 58.073 58.000 -0.263 0.000 0.949 415 F CB 2.099 40.500 39.000 -0.999 0.000 1.142 415 F HN 0.769 nan 8.300 nan 0.000 0.457 416 G N 3.383 112.337 108.800 0.257 0.000 2.176 416 G HA2 -0.396 3.564 3.960 0.001 0.000 0.253 416 G HA3 -0.396 3.564 3.960 0.001 0.000 0.253 416 G C 0.581 175.599 174.900 0.196 0.000 0.979 416 G CA 0.584 45.835 45.100 0.253 0.000 0.641 416 G HN 0.722 nan 8.290 nan 0.000 0.530 417 Y N 0.316 120.519 120.300 -0.161 0.000 2.201 417 Y HA 0.302 4.853 4.550 0.000 0.000 0.292 417 Y C 2.552 178.312 175.900 -0.233 0.000 1.119 417 Y CA 2.040 59.788 58.100 -0.585 0.000 1.127 417 Y CB -0.305 37.690 38.460 -0.776 0.000 1.019 417 Y HN 0.150 nan 8.280 nan 0.000 0.514 418 F N 0.774 120.853 119.950 0.215 0.000 2.087 418 F HA -0.222 4.306 4.527 0.001 0.000 0.299 418 F C -0.503 175.418 175.800 0.201 0.000 1.100 418 F CA 1.833 59.992 58.000 0.265 0.000 1.226 418 F CB -2.317 36.814 39.000 0.217 0.000 0.983 418 F HN 0.146 nan 8.300 nan 0.000 0.479 419 P HA -0.171 nan 4.420 nan 0.000 0.217 419 P C 1.695 179.154 177.300 0.264 0.000 1.148 419 P CA 2.531 65.813 63.100 0.305 0.000 0.828 419 P CB -0.624 31.201 31.700 0.207 0.000 0.783 420 T N -4.616 109.956 114.554 0.030 0.000 2.881 420 T HA -0.230 4.121 4.350 0.001 0.000 0.270 420 T C 1.597 176.289 174.700 -0.014 0.000 1.068 420 T CA 1.031 63.081 62.100 -0.083 0.000 1.131 420 T CB -1.387 67.287 68.868 -0.322 0.000 0.871 420 T HN 0.012 nan 8.240 nan 0.000 0.479 421 Y N 2.182 122.558 120.300 0.127 0.000 2.114 421 Y HA -0.085 4.466 4.550 0.001 0.000 0.282 421 Y C 3.218 179.219 175.900 0.169 0.000 1.165 421 Y CA 1.384 59.613 58.100 0.214 0.000 1.148 421 Y CB -0.775 37.922 38.460 0.395 0.000 0.972 421 Y HN 0.256 nan 8.280 nan 0.000 0.504 422 S N -0.410 115.500 115.700 0.349 0.000 2.395 422 S HA -0.050 4.420 4.470 0.001 0.000 0.225 422 S C 2.094 176.646 174.600 -0.079 0.000 1.027 422 S CA 0.575 58.862 58.200 0.146 0.000 0.965 422 S CB -0.417 62.908 63.200 0.209 0.000 0.812 422 S HN 0.305 nan 8.310 nan 0.000 0.482 423 L N 1.218 122.427 121.223 -0.023 0.000 2.013 423 L HA -0.146 4.194 4.340 0.001 0.000 0.212 423 L C 2.771 179.597 176.870 -0.072 0.000 1.073 423 L CA 1.428 56.224 54.840 -0.073 0.000 0.753 423 L CB -1.346 40.702 42.059 -0.019 0.000 0.890 423 L HN 0.418 nan 8.230 nan 0.000 0.432 424 G N -0.324 108.469 108.800 -0.011 0.000 2.446 424 G HA2 -0.292 3.668 3.960 0.001 0.000 0.217 424 G HA3 -0.292 3.668 3.960 0.001 0.000 0.217 424 G C 1.776 176.629 174.900 -0.078 0.000 1.168 424 G CA 0.967 46.068 45.100 0.002 0.000 0.771 424 G HN 0.493 nan 8.290 nan 0.000 0.551 425 A N 0.526 123.251 122.820 -0.159 0.000 1.908 425 A HA -0.017 4.303 4.320 0.001 0.000 0.218 425 A C 2.494 179.752 177.584 -0.543 0.000 1.181 425 A CA 1.999 53.824 52.037 -0.353 0.000 0.627 425 A CB -0.358 18.343 19.000 -0.498 0.000 0.818 425 A HN 0.412 nan 8.150 nan 0.000 0.445 426 M N -0.964 118.300 119.600 -0.559 0.000 2.132 426 M HA -0.098 4.382 4.480 0.001 0.000 0.263 426 M C 2.084 178.305 176.300 -0.132 0.000 1.065 426 M CA 1.169 56.264 55.300 -0.341 0.000 1.122 426 M CB -0.405 32.058 32.600 -0.228 0.000 1.365 426 M HN 0.225 nan 8.290 nan 0.000 0.411 427 V N 0.625 120.475 119.914 -0.107 0.000 2.332 427 V HA -0.287 3.833 4.120 0.001 0.000 0.248 427 V C 2.664 178.740 176.094 -0.031 0.000 1.055 427 V CA 2.102 64.368 62.300 -0.056 0.000 1.038 427 V CB -1.217 30.582 31.823 -0.040 0.000 0.651 427 V HN 0.527 nan 8.190 nan 0.000 0.450 428 A N -0.057 122.750 122.820 -0.022 0.000 1.877 428 A HA -0.141 4.179 4.320 0.001 0.000 0.216 428 A C 2.441 180.032 177.584 0.011 0.000 1.186 428 A CA 2.237 54.311 52.037 0.062 0.000 0.620 428 A CB -0.881 18.126 19.000 0.012 0.000 0.822 428 A HN 0.580 nan 8.150 nan 0.000 0.443 429 A N -0.968 121.813 122.820 -0.064 0.000 1.902 429 A HA -0.234 4.086 4.320 0.001 0.000 0.217 429 A C 2.204 179.767 177.584 -0.036 0.000 1.181 429 A CA 1.920 53.924 52.037 -0.055 0.000 0.623 429 A CB -0.631 18.440 19.000 0.119 0.000 0.818 429 A HN 0.654 nan 8.150 nan 0.000 0.443 430 Q N -0.742 119.026 119.800 -0.054 0.000 2.124 430 Q HA -0.091 4.249 4.340 0.001 0.000 0.202 430 Q C 2.021 177.894 176.000 -0.211 0.000 0.977 430 Q CA 1.298 56.943 55.803 -0.262 0.000 0.850 430 Q CB -0.185 28.454 28.738 -0.165 0.000 0.901 430 Q HN 0.688 nan 8.270 nan 0.000 0.429 431 L N -0.231 120.953 121.223 -0.064 0.000 2.027 431 L HA -0.176 4.165 4.340 0.001 0.000 0.206 431 L C 2.396 179.343 176.870 0.128 0.000 1.074 431 L CA 1.156 55.992 54.840 -0.007 0.000 0.745 431 L CB -0.167 41.893 42.059 0.002 0.000 0.898 431 L HN 0.444 nan 8.230 nan 0.000 0.433 432 M N -0.536 119.189 119.600 0.208 0.000 2.175 432 M HA -0.164 4.316 4.480 0.001 0.000 0.264 432 M C 2.299 178.594 176.300 -0.008 0.000 1.063 432 M CA 1.844 57.204 55.300 0.100 0.000 1.119 432 M CB -0.307 32.170 32.600 -0.206 0.000 1.377 432 M HN 0.074 nan 8.290 nan 0.000 0.415 433 S N -0.698 114.965 115.700 -0.061 0.000 2.370 433 S HA -0.215 4.255 4.470 0.001 0.000 0.226 433 S C 2.196 176.754 174.600 -0.070 0.000 1.033 433 S CA 1.446 59.606 58.200 -0.067 0.000 1.011 433 S CB -1.321 61.806 63.200 -0.122 0.000 0.852 433 S HN 0.777 nan 8.310 nan 0.000 0.457 434 C N 1.519 120.759 119.300 -0.099 0.000 2.446 434 C HA -0.006 4.454 4.460 0.001 0.000 0.277 434 C C 2.614 177.574 174.990 -0.049 0.000 1.275 434 C CA 0.710 59.678 59.018 -0.084 0.000 1.727 434 C CB -1.308 26.365 27.740 -0.111 0.000 2.010 434 C HN 0.408 nan 8.230 nan 0.000 0.486 435 V N 1.253 121.156 119.914 -0.019 0.000 2.358 435 V HA -0.173 3.947 4.120 0.001 0.000 0.246 435 V C 2.706 178.795 176.094 -0.010 0.000 1.047 435 V CA 2.199 64.496 62.300 -0.005 0.000 1.035 435 V CB -0.787 31.082 31.823 0.076 0.000 0.658 435 V HN 0.513 nan 8.190 nan 0.000 0.452 436 R N -0.412 120.083 120.500 -0.008 0.000 2.081 436 R HA -0.120 4.220 4.340 0.001 0.000 0.235 436 R C 2.583 178.873 176.300 -0.017 0.000 1.131 436 R CA 1.329 57.420 56.100 -0.015 0.000 0.960 436 R CB -0.381 29.910 30.300 -0.015 0.000 0.856 436 R HN 0.426 nan 8.270 nan 0.000 0.436 437 R N 0.947 121.435 120.500 -0.020 0.000 2.080 437 R HA -0.166 4.175 4.340 0.001 0.000 0.236 437 R C 2.143 178.428 176.300 -0.024 0.000 1.137 437 R CA 1.761 57.849 56.100 -0.020 0.000 0.943 437 R CB -0.154 30.132 30.300 -0.023 0.000 0.846 437 R HN 0.401 nan 8.270 nan 0.000 0.431 438 E N 0.000 120.182 120.200 -0.031 0.000 2.047 438 E HA -0.163 4.188 4.350 0.001 0.000 0.191 438 E C 1.933 178.513 176.600 -0.032 0.000 0.987 438 E CA 0.879 57.258 56.400 -0.035 0.000 0.799 438 E CB 0.009 29.681 29.700 -0.046 0.000 0.752 438 E HN 0.087 nan 8.360 nan 0.000 0.449 439 L N -0.543 120.662 121.223 -0.031 0.000 2.179 439 L HA 0.124 4.464 4.340 0.001 0.000 0.208 439 L C 1.013 177.869 176.870 -0.023 0.000 1.096 439 L CA 1.387 56.209 54.840 -0.029 0.000 0.779 439 L CB -0.638 41.404 42.059 -0.029 0.000 0.922 439 L HN 0.210 nan 8.230 nan 0.000 0.443 440 G N -0.646 108.142 108.800 -0.020 0.000 2.911 440 G HA2 -0.140 3.820 3.960 0.001 0.000 0.686 440 G HA3 -0.140 3.820 3.960 0.001 0.000 0.686 440 G C 0.469 175.361 174.900 -0.014 0.000 1.136 440 G CA -0.216 44.875 45.100 -0.016 0.000 0.764 440 G HN 0.154 nan 8.290 nan 0.000 0.626 441 E N 0.522 120.715 120.200 -0.011 0.000 2.118 441 E HA -0.212 4.139 4.350 0.001 0.000 0.195 441 E C 2.384 178.979 176.600 -0.009 0.000 0.992 441 E CA 1.585 57.979 56.400 -0.010 0.000 0.804 441 E CB 0.084 29.780 29.700 -0.007 0.000 0.741 441 E HN 0.763 nan 8.360 nan 0.000 0.458 442 E N 1.211 121.406 120.200 -0.008 0.000 2.047 442 E HA -0.131 4.220 4.350 0.001 0.000 0.191 442 E C 2.239 178.834 176.600 -0.009 0.000 0.987 442 E CA 0.947 57.343 56.400 -0.006 0.000 0.799 442 E CB -0.734 28.963 29.700 -0.005 0.000 0.752 442 E HN 0.125 nan 8.360 nan 0.000 0.449 443 V N 1.594 121.501 119.914 -0.013 0.000 2.343 443 V HA -0.211 3.910 4.120 0.001 0.000 0.247 443 V C 2.748 178.829 176.094 -0.022 0.000 1.051 443 V CA 1.590 63.880 62.300 -0.018 0.000 1.036 443 V CB -0.338 31.472 31.823 -0.021 0.000 0.654 443 V HN 0.112 nan 8.190 nan 0.000 0.451 444 V N -0.049 119.853 119.914 -0.021 0.000 2.270 444 V HA -0.223 3.897 4.120 0.001 0.000 0.245 444 V C 2.292 178.372 176.094 -0.023 0.000 1.043 444 V CA 2.121 64.406 62.300 -0.026 0.000 1.014 444 V CB -0.710 31.098 31.823 -0.025 0.000 0.645 444 V HN 0.517 nan 8.190 nan 0.000 0.447 445 D N 0.194 120.588 120.400 -0.010 0.000 2.133 445 D HA -0.183 4.457 4.640 0.001 0.000 0.195 445 D C 1.886 178.191 176.300 0.008 0.000 0.997 445 D CA 1.595 55.598 54.000 0.005 0.000 0.840 445 D CB -0.345 40.462 40.800 0.010 0.000 0.947 445 D HN 0.435 nan 8.370 nan 0.000 0.452 446 D N -0.498 119.901 120.400 -0.002 0.000 2.097 446 D HA -0.088 4.553 4.640 0.001 0.000 0.197 446 D C 2.231 178.518 176.300 -0.022 0.000 0.984 446 D CA 0.543 54.541 54.000 -0.003 0.000 0.826 446 D CB -0.537 40.260 40.800 -0.006 0.000 0.973 446 D HN 0.194 nan 8.370 nan 0.000 0.460 447 C N 0.423 119.699 119.300 -0.041 0.000 2.398 447 C HA -0.142 4.318 4.460 0.001 0.000 0.276 447 C C 2.783 177.708 174.990 -0.108 0.000 1.222 447 C CA 0.357 59.328 59.018 -0.078 0.000 1.746 447 C CB -0.978 26.714 27.740 -0.080 0.000 2.039 447 C HN 0.344 nan 8.230 nan 0.000 0.470 448 I N 1.165 121.699 120.570 -0.060 0.000 2.193 448 I HA -0.176 3.994 4.170 0.001 0.000 0.240 448 I C 2.824 178.959 176.117 0.030 0.000 1.084 448 I CA 1.723 63.016 61.300 -0.011 0.000 1.365 448 I CB -0.658 37.372 38.000 0.050 0.000 1.064 448 I HN 0.429 nan 8.210 nan 0.000 0.410 449 R N 1.886 122.418 120.500 0.054 0.000 2.152 449 R HA -0.131 4.209 4.340 0.001 0.000 0.232 449 R C 1.518 177.891 176.300 0.121 0.000 1.117 449 R CA 1.280 57.445 56.100 0.109 0.000 0.981 449 R CB -0.395 29.964 30.300 0.098 0.000 0.870 449 R HN 0.320 nan 8.270 nan 0.000 0.451 450 K N 0.240 120.635 120.400 -0.008 0.000 2.374 450 K HA 0.136 4.456 4.320 0.001 0.000 0.196 450 K C 0.489 176.859 176.600 -0.383 0.000 1.023 450 K CA 0.422 56.699 56.287 -0.016 0.000 1.103 450 K CB 0.746 33.244 32.500 -0.003 0.000 0.848 450 K HN 0.456 nan 8.250 nan 0.000 0.528 451 G N 2.934 111.229 108.800 -0.842 0.000 2.283 451 G HA2 -0.248 3.712 3.960 0.001 0.000 0.280 451 G HA3 -0.248 3.712 3.960 0.001 0.000 0.280 451 G C -0.492 174.107 174.900 -0.501 0.000 1.029 451 G CA 0.555 44.980 45.100 -1.125 0.000 0.840 451 G HN 0.368 nan 8.290 nan 0.000 0.505 452 D N -0.034 120.178 120.400 -0.313 0.000 2.485 452 D HA 0.382 5.022 4.640 0.001 0.000 0.256 452 D C 1.622 177.806 176.300 -0.193 0.000 1.141 452 D CA -0.629 53.254 54.000 -0.196 0.000 0.942 452 D CB -0.133 40.596 40.800 -0.117 0.000 1.003 452 D HN 0.221 nan 8.370 nan 0.000 0.507 453 L N 1.384 122.459 121.223 -0.247 0.000 2.591 453 L HA 0.210 4.550 4.340 0.001 0.000 0.228 453 L C 2.307 179.083 176.870 -0.157 0.000 1.133 453 L CA 0.159 54.846 54.840 -0.255 0.000 0.880 453 L CB 0.164 41.947 42.059 -0.460 0.000 1.033 453 L HN 0.339 nan 8.230 nan 0.000 0.450 454 G N 0.866 109.598 108.800 -0.114 0.000 2.446 454 G HA2 -0.267 3.694 3.960 0.001 0.000 0.217 454 G HA3 -0.267 3.694 3.960 0.001 0.000 0.217 454 G C 1.661 176.519 174.900 -0.070 0.000 1.168 454 G CA 0.541 45.599 45.100 -0.071 0.000 0.771 454 G HN 0.310 nan 8.290 nan 0.000 0.551 455 K N -0.164 120.193 120.400 -0.072 0.000 2.103 455 K HA -0.010 4.310 4.320 0.001 0.000 0.207 455 K C 2.427 178.977 176.600 -0.083 0.000 1.048 455 K CA 1.022 57.266 56.287 -0.071 0.000 0.930 455 K CB -0.217 32.248 32.500 -0.060 0.000 0.716 455 K HN 0.369 nan 8.250 nan 0.000 0.444 456 I N 0.842 121.368 120.570 -0.074 0.000 2.286 456 I HA -0.244 3.927 4.170 0.001 0.000 0.245 456 I C 2.091 178.137 176.117 -0.118 0.000 1.104 456 I CA 1.016 62.287 61.300 -0.048 0.000 1.397 456 I CB -0.170 37.848 38.000 0.030 0.000 1.072 456 I HN 0.089 nan 8.210 nan 0.000 0.417 457 L N 0.545 121.709 121.223 -0.099 0.000 2.141 457 L HA -0.154 4.186 4.340 0.001 0.000 0.209 457 L C 2.796 179.490 176.870 -0.294 0.000 1.094 457 L CA 1.108 55.881 54.840 -0.113 0.000 0.763 457 L CB -0.694 41.418 42.059 0.088 0.000 0.908 457 L HN 0.224 nan 8.230 nan 0.000 0.437 458 A N -0.308 122.395 122.820 -0.196 0.000 1.930 458 A HA -0.147 4.173 4.320 0.001 0.000 0.217 458 A C 2.329 179.739 177.584 -0.289 0.000 1.175 458 A CA 1.185 53.100 52.037 -0.204 0.000 0.627 458 A CB -0.222 18.706 19.000 -0.120 0.000 0.815 458 A HN 0.153 nan 8.150 nan 0.000 0.443 459 K N -0.022 120.210 120.400 -0.280 0.000 2.097 459 K HA -0.155 4.165 4.320 0.001 0.000 0.206 459 K C 2.130 178.435 176.600 -0.492 0.000 1.049 459 K CA 1.575 57.681 56.287 -0.301 0.000 0.933 459 K CB -0.407 31.960 32.500 -0.222 0.000 0.717 459 K HN 0.681 nan 8.250 nan 0.000 0.442 460 Q N 0.328 119.691 119.800 -0.729 0.000 2.079 460 Q HA -0.149 4.191 4.340 0.001 0.000 0.200 460 Q C 1.979 177.055 176.000 -1.540 0.000 0.974 460 Q CA 1.226 56.309 55.803 -1.201 0.000 0.840 460 Q CB -0.157 27.698 28.738 -1.471 0.000 0.898 460 Q HN 0.238 nan 8.270 nan 0.000 0.430 461 N N 1.065 118.956 118.700 -1.348 0.000 2.084 461 N HA -0.217 4.523 4.740 0.001 0.000 0.190 461 N C 1.603 176.864 175.510 -0.415 0.000 1.030 461 N CA 1.916 54.522 53.050 -0.740 0.000 0.849 461 N CB -0.023 38.306 38.487 -0.264 0.000 1.012 461 N HN 0.299 nan 8.380 nan 0.000 0.423 462 E N 0.388 120.375 120.200 -0.354 0.000 2.072 462 E HA -0.081 4.270 4.350 0.001 0.000 0.190 462 E C 1.699 178.196 176.600 -0.172 0.000 0.982 462 E CA 1.411 57.672 56.400 -0.231 0.000 0.803 462 E CB -0.202 29.399 29.700 -0.164 0.000 0.755 462 E HN 0.276 nan 8.360 nan 0.000 0.453 463 K N -0.413 119.850 120.400 -0.228 0.000 2.116 463 K HA 0.031 4.351 4.320 0.001 0.000 0.203 463 K C 1.551 178.115 176.600 -0.060 0.000 1.052 463 K CA 1.163 57.370 56.287 -0.134 0.000 0.952 463 K CB 0.168 32.530 32.500 -0.229 0.000 0.729 463 K HN 0.208 nan 8.250 nan 0.000 0.446 464 I N -1.469 118.955 120.570 -0.245 0.000 3.534 464 I HA -0.051 4.120 4.170 0.001 0.000 0.251 464 I C 1.861 177.976 176.117 -0.003 0.000 1.136 464 I CA 0.467 61.671 61.300 -0.161 0.000 1.475 464 I CB -1.290 36.473 38.000 -0.395 0.000 1.526 464 I HN 0.166 nan 8.210 nan 0.000 0.454 465 W N 2.845 124.025 121.300 -0.201 0.000 2.358 465 W HA -0.160 4.500 4.660 0.000 0.000 0.303 465 W C 2.566 179.082 176.519 -0.005 0.000 1.208 465 W CA 1.246 58.566 57.345 -0.042 0.000 1.274 465 W CB -1.345 28.094 29.460 -0.036 0.000 1.138 465 W HN 0.455 nan 8.180 nan 0.000 0.515 466 Q N -0.875 118.937 119.800 0.020 0.000 2.291 466 Q HA -0.177 4.164 4.340 0.001 0.000 0.205 466 Q C 1.628 177.510 176.000 -0.196 0.000 0.970 466 Q CA 1.663 57.383 55.803 -0.139 0.000 0.876 466 Q CB -0.815 27.737 28.738 -0.310 0.000 0.935 466 Q HN 0.320 nan 8.270 nan 0.000 0.455 467 H N 0.200 119.314 119.070 0.074 0.000 2.482 467 H HA 0.174 4.730 4.556 0.000 0.000 0.286 467 H C 1.612 176.968 175.328 0.047 0.000 1.017 467 H CA 0.872 56.940 56.048 0.033 0.000 1.322 467 H CB 0.098 29.863 29.762 0.004 0.000 1.426 467 H HN 0.479 nan 8.280 nan 0.000 0.546 468 G N 0.930 109.861 108.800 0.219 0.000 2.629 468 G HA2 -0.356 3.604 3.960 0.001 0.000 0.313 468 G HA3 -0.356 3.604 3.960 0.001 0.000 0.313 468 G C 0.772 175.753 174.900 0.134 0.000 1.217 468 G CA 0.773 45.972 45.100 0.164 0.000 0.994 468 G HN 0.422 nan 8.290 nan 0.000 0.549 469 S N 0.987 116.720 115.700 0.055 0.000 2.562 469 S HA 0.422 4.892 4.470 0.001 0.000 0.246 469 S C 1.758 176.347 174.600 -0.018 0.000 1.056 469 S CA 0.926 59.142 58.200 0.027 0.000 1.042 469 S CB 0.490 63.698 63.200 0.014 0.000 0.822 469 S HN 1.343 nan 8.310 nan 0.000 0.465 470 S N 0.758 116.448 115.700 -0.017 0.000 2.496 470 S HA 0.248 4.718 4.470 0.001 0.000 0.224 470 S C 0.479 175.040 174.600 -0.066 0.000 0.996 470 S CA 0.001 58.160 58.200 -0.069 0.000 0.927 470 S CB -0.165 62.994 63.200 -0.067 0.000 0.774 470 S HN 0.397 nan 8.310 nan 0.000 0.524 471 L N 1.888 123.081 121.223 -0.051 0.000 2.319 471 L HA 0.502 4.842 4.340 0.001 0.000 0.267 471 L C 0.545 177.389 176.870 -0.043 0.000 1.011 471 L CA -1.019 53.779 54.840 -0.071 0.000 0.818 471 L CB 1.876 43.862 42.059 -0.121 0.000 1.316 471 L HN 0.126 nan 8.230 nan 0.000 0.432 472 T N -3.223 111.305 114.554 -0.042 0.000 2.748 472 T HA 0.035 4.386 4.350 0.001 0.000 0.304 472 T C 1.077 175.763 174.700 -0.024 0.000 1.041 472 T CA -0.217 61.868 62.100 -0.025 0.000 1.033 472 T CB 0.768 69.622 68.868 -0.024 0.000 0.995 472 T HN 0.657 nan 8.240 nan 0.000 0.536 473 T N 0.829 115.378 114.554 -0.009 0.000 2.746 473 T HA -0.105 4.245 4.350 0.001 0.000 0.267 473 T C 1.528 176.215 174.700 -0.023 0.000 1.039 473 T CA 1.535 63.632 62.100 -0.006 0.000 1.142 473 T CB -0.514 68.359 68.868 0.008 0.000 0.866 473 T HN 0.662 nan 8.240 nan 0.000 0.444 474 D N 1.076 121.463 120.400 -0.022 0.000 2.097 474 D HA -0.069 4.571 4.640 0.001 0.000 0.195 474 D C 2.270 178.544 176.300 -0.042 0.000 0.989 474 D CA 1.075 55.059 54.000 -0.027 0.000 0.827 474 D CB -0.257 40.531 40.800 -0.020 0.000 0.966 474 D HN 0.521 nan 8.370 nan 0.000 0.456 475 E N 0.000 120.169 120.200 -0.051 0.000 2.051 475 E HA -0.163 4.187 4.350 0.001 0.000 0.192 475 E C 2.071 178.609 176.600 -0.103 0.000 0.991 475 E CA 0.372 56.727 56.400 -0.074 0.000 0.799 475 E CB -0.119 29.532 29.700 -0.081 0.000 0.748 475 E HN 0.100 nan 8.360 nan 0.000 0.449 476 L N 0.904 122.067 121.223 -0.100 0.000 1.989 476 L HA -0.204 4.136 4.340 0.001 0.000 0.211 476 L C 2.046 178.850 176.870 -0.109 0.000 1.071 476 L CA 1.724 56.489 54.840 -0.124 0.000 0.749 476 L CB -0.279 41.739 42.059 -0.068 0.000 0.890 476 L HN 0.129 nan 8.230 nan 0.000 0.431 477 L N -1.321 119.856 121.223 -0.077 0.000 2.156 477 L HA -0.099 4.241 4.340 0.001 0.000 0.208 477 L C 2.746 179.574 176.870 -0.070 0.000 1.095 477 L CA 0.699 55.496 54.840 -0.072 0.000 0.770 477 L CB -0.483 41.546 42.059 -0.050 0.000 0.914 477 L HN 0.230 nan 8.230 nan 0.000 0.439 478 R N -0.072 120.389 120.500 -0.065 0.000 2.070 478 R HA -0.219 4.121 4.340 0.001 0.000 0.233 478 R C 2.275 178.531 176.300 -0.072 0.000 1.137 478 R CA 1.718 57.783 56.100 -0.058 0.000 0.945 478 R CB -0.340 29.929 30.300 -0.052 0.000 0.845 478 R HN 0.386 nan 8.270 nan 0.000 0.430 479 Q N 0.169 119.911 119.800 -0.096 0.000 2.124 479 Q HA -0.150 4.190 4.340 0.001 0.000 0.202 479 Q C 1.902 177.842 176.000 -0.100 0.000 0.977 479 Q CA 1.814 57.552 55.803 -0.109 0.000 0.850 479 Q CB -0.022 28.617 28.738 -0.165 0.000 0.901 479 Q HN 0.370 nan 8.270 nan 0.000 0.429 480 A N -0.289 122.467 122.820 -0.108 0.000 1.897 480 A HA -0.094 4.226 4.320 0.001 0.000 0.215 480 A C 1.995 179.517 177.584 -0.103 0.000 1.181 480 A CA 1.729 53.701 52.037 -0.108 0.000 0.620 480 A CB -0.312 18.614 19.000 -0.122 0.000 0.821 480 A HN 0.572 nan 8.150 nan 0.000 0.443 481 T N -6.641 107.857 114.554 -0.093 0.000 3.058 481 T HA 0.460 4.810 4.350 0.001 0.000 0.278 481 T C 1.238 175.899 174.700 -0.064 0.000 0.974 481 T CA 1.006 63.050 62.100 -0.092 0.000 0.893 481 T CB 0.581 69.380 68.868 -0.115 0.000 1.138 481 T HN 1.749 nan 8.240 nan 0.000 0.529 482 G N 1.801 110.570 108.800 -0.052 0.000 2.217 482 G HA2 -0.183 3.777 3.960 0.001 0.000 0.246 482 G HA3 -0.183 3.777 3.960 0.001 0.000 0.246 482 G C -0.192 174.697 174.900 -0.018 0.000 0.990 482 G CA 0.291 45.372 45.100 -0.033 0.000 0.627 482 G HN 1.066 nan 8.290 nan 0.000 0.522 483 E N -0.618 119.573 120.200 -0.015 0.000 2.412 483 E HA 0.600 4.950 4.350 0.001 0.000 0.279 483 E C -0.382 176.215 176.600 -0.006 0.000 0.984 483 E CA -0.555 55.845 56.400 0.001 0.000 0.788 483 E CB 0.500 30.220 29.700 0.034 0.000 1.277 483 E HN 0.018 nan 8.360 nan 0.000 0.455 484 T N 1.050 115.603 114.554 -0.003 0.000 2.785 484 T HA -0.024 4.326 4.350 0.001 0.000 0.341 484 T C 0.221 174.929 174.700 0.013 0.000 1.093 484 T CA -0.107 61.992 62.100 -0.002 0.000 1.103 484 T CB 0.034 68.901 68.868 -0.001 0.000 1.011 484 T HN 0.399 nan 8.240 nan 0.000 0.549 485 L N 3.570 124.796 121.223 0.006 0.000 2.534 485 L HA 0.228 4.569 4.340 0.001 0.000 0.271 485 L C 0.157 177.046 176.870 0.032 0.000 1.178 485 L CA 0.230 55.078 54.840 0.013 0.000 0.907 485 L CB -0.113 41.940 42.059 -0.009 0.000 1.164 485 L HN 0.501 nan 8.230 nan 0.000 0.482 486 N N 6.813 125.561 118.700 0.081 0.000 2.491 486 N HA 0.434 5.174 4.740 0.001 0.000 0.274 486 N C -2.204 173.358 175.510 0.087 0.000 1.023 486 N CA -2.000 51.093 53.050 0.072 0.000 0.902 486 N CB 2.069 40.604 38.487 0.079 0.000 1.267 486 N HN 0.351 nan 8.380 nan 0.000 0.503 487 P HA -0.061 nan 4.420 nan 0.000 0.234 487 P C 0.691 178.059 177.300 0.113 0.000 1.167 487 P CA 0.604 63.775 63.100 0.119 0.000 0.763 487 P CB 0.665 32.434 31.700 0.114 0.000 0.835 488 E N 0.027 120.195 120.200 -0.053 0.000 2.204 488 E HA -0.197 4.154 4.350 0.001 0.000 0.195 488 E C 1.946 178.436 176.600 -0.185 0.000 0.990 488 E CA 1.181 57.470 56.400 -0.186 0.000 0.821 488 E CB -0.687 28.847 29.700 -0.277 0.000 0.750 488 E HN 0.359 nan 8.360 nan 0.000 0.477 489 H N -1.270 117.825 119.070 0.042 0.000 2.389 489 H HA -0.126 4.430 4.556 0.000 0.000 0.299 489 H C 1.668 177.093 175.328 0.160 0.000 1.081 489 H CA 1.511 57.597 56.048 0.063 0.000 1.345 489 H CB -0.451 29.341 29.762 0.050 0.000 1.393 489 H HN 0.266 nan 8.280 nan 0.000 0.520 490 Y N 2.214 122.606 120.300 0.155 0.000 2.145 490 Y HA -0.210 4.340 4.550 0.001 0.000 0.286 490 Y C 2.849 178.830 175.900 0.136 0.000 1.145 490 Y CA 1.498 59.711 58.100 0.188 0.000 1.148 490 Y CB -0.413 38.171 38.460 0.208 0.000 0.981 490 Y HN -0.027 nan 8.280 nan 0.000 0.507 491 R N 0.021 120.480 120.500 -0.069 0.000 2.094 491 R HA -0.253 4.088 4.340 0.001 0.000 0.239 491 R C 2.375 178.412 176.300 -0.437 0.000 1.137 491 R CA 2.301 57.953 56.100 -0.746 0.000 0.943 491 R CB -0.215 29.368 30.300 -1.195 0.000 0.850 491 R HN 0.281 nan 8.270 nan 0.000 0.433 492 R N -1.259 119.107 120.500 -0.224 0.000 2.081 492 R HA -0.178 4.162 4.340 0.001 0.000 0.235 492 R C 2.379 178.662 176.300 -0.028 0.000 1.131 492 R CA 1.829 57.857 56.100 -0.120 0.000 0.960 492 R CB -0.604 29.668 30.300 -0.045 0.000 0.856 492 R HN 0.449 nan 8.270 nan 0.000 0.436 493 H N 0.734 119.795 119.070 -0.015 0.000 2.290 493 H HA -0.078 4.478 4.556 0.001 0.000 0.298 493 H C 1.751 177.090 175.328 0.018 0.000 1.087 493 H CA 1.906 57.971 56.048 0.027 0.000 1.291 493 H CB -0.262 29.574 29.762 0.123 0.000 1.369 493 H HN 0.080 nan 8.280 nan 0.000 0.492 494 L N -0.014 121.112 121.223 -0.161 0.000 2.083 494 L HA -0.127 4.213 4.340 0.001 0.000 0.209 494 L C 2.530 179.386 176.870 -0.024 0.000 1.083 494 L CA 1.640 56.425 54.840 -0.091 0.000 0.752 494 L CB -0.399 41.664 42.059 0.006 0.000 0.899 494 L HN 0.449 nan 8.230 nan 0.000 0.433 495 E N -0.228 119.915 120.200 -0.095 0.000 2.072 495 E HA -0.243 4.107 4.350 0.001 0.000 0.191 495 E C 2.283 178.834 176.600 -0.082 0.000 0.985 495 E CA 0.920 57.274 56.400 -0.077 0.000 0.801 495 E CB -0.065 29.552 29.700 -0.139 0.000 0.750 495 E HN 0.305 nan 8.360 nan 0.000 0.452 496 R N 1.001 121.432 120.500 -0.115 0.000 2.081 496 R HA -0.133 4.208 4.340 0.001 0.000 0.235 496 R C 2.420 178.619 176.300 -0.170 0.000 1.131 496 R CA 1.488 57.522 56.100 -0.111 0.000 0.960 496 R CB -0.009 30.244 30.300 -0.079 0.000 0.856 496 R HN -0.018 nan 8.270 nan 0.000 0.436 497 R N -1.180 119.139 120.500 -0.303 0.000 2.062 497 R HA -0.127 4.213 4.340 0.001 0.000 0.229 497 R C 1.336 177.321 176.300 -0.526 0.000 1.128 497 R CA 1.597 57.400 56.100 -0.495 0.000 0.960 497 R CB -0.081 29.719 30.300 -0.834 0.000 0.855 497 R HN 0.260 nan 8.270 nan 0.000 0.432 498 Y N -0.939 119.302 120.300 -0.098 0.000 2.522 498 Y HA 0.238 4.788 4.550 0.000 0.000 0.277 498 Y C 2.347 178.227 175.900 -0.034 0.000 1.104 498 Y CA 0.269 58.337 58.100 -0.053 0.000 1.260 498 Y CB 0.119 38.551 38.460 -0.047 0.000 1.151 498 Y HN -0.044 nan 8.280 nan 0.000 0.539 499 R N 0.367 120.914 120.500 0.078 0.000 2.074 499 R HA 0.020 4.360 4.340 0.001 0.000 0.218 499 R C -0.258 176.044 176.300 0.004 0.000 1.137 499 R CA 0.800 56.925 56.100 0.042 0.000 0.998 499 R CB -0.148 30.168 30.300 0.025 0.000 0.895 499 R HN 0.169 nan 8.270 nan 0.000 0.442 500 D N 0.000 120.384 120.400 -0.026 0.000 6.856 500 D HA 0.000 4.640 4.640 0.001 0.000 0.175 500 D CA 0.000 53.980 54.000 -0.034 0.000 0.868 500 D CB 0.000 40.774 40.800 -0.043 0.000 0.688 500 D HN 0.000 nan 8.370 nan 0.000 0.683