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 3nxq_1_B DATA FIRST_RESID 1 DATA SEQUENCE LDPGLQPGQF SADEAGAQLF AQSYQSSAEQ VLFQSVAASW AHDTNITAEN DATA SEQUENCE ARRQEEAALL SQEFAEAWGQ KAKELYEPIW QQFTDPQLRR IIGAVRTLGS DATA SEQUENCE ANLPLAKRQQ YNALLSQMSR IYSTAKVcLP QKTATcWSLD PDLTNILASS DATA SEQUENCE RSYAMLLFAW EGWHNAAGIP LKPLYEDFTA LSNEAYKQDG FTDTGAYWRS DATA SEQUENCE WYNSPTFEDD LEHLYQQLEP LYLNLHAFVR RALHRRYGDR YINLRGPIPA DATA SEQUENCE HLLGDMWAQS WENIYDMVVP FPDKPNLDVT STMLQQGWQA THMFRVAEEF DATA SEQUENCE FTSLELSPMP PEFWEGSMLE KPADGREVVc HASAWDFYNR KDFRIKQcTR DATA SEQUENCE VTMDQLSTVH HEMGHIQYYL QYKDLPVSLR RGANPGFHEA IGDVLALSVS DATA SEQUENCE TPEHLHKIGL LDRVTNDTES DINYLLKMAL EKIAFLPFGY LVDQWRWGVF DATA SEQUENCE SGRTPPSRYN FDWWYLRTKY QGICPPVTRN ETHFDAGAKF HVPNVTPYIR DATA SEQUENCE YFVSFVLQFQ FHEALcKEAG YEGPLHQcDI YRSTKAGAKL RKVLRAGSSR DATA SEQUENCE PWQEVLKDMV GLDALDAQPL LKYFQLVTQW LQEQNQQNGE VLGWPEYQWH DATA SEQUENCE PPLPDNYPEG 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.931 176.870 0.101 0.000 1.165 1 L CA 0.000 54.907 54.840 0.112 0.000 0.813 1 L CB 0.000 42.153 42.059 0.157 0.000 0.961 2 D N 5.964 126.425 120.400 0.103 0.000 2.531 2 D HA 0.136 4.669 4.640 -0.178 0.000 0.239 2 D C -1.641 174.722 176.300 0.105 0.000 1.144 2 D CA -0.428 53.626 54.000 0.090 0.000 0.869 2 D CB 1.325 42.175 40.800 0.083 0.000 1.160 2 D HN 0.404 nan 8.370 nan 0.000 0.484 3 P HA -0.090 nan 4.420 nan 0.000 0.217 3 P C 1.261 178.618 177.300 0.095 0.000 1.148 3 P CA 1.289 64.432 63.100 0.071 0.000 0.828 3 P CB 0.083 31.811 31.700 0.047 0.000 0.783 4 G N -0.843 108.016 108.800 0.099 0.000 2.498 4 G HA2 -0.166 3.687 3.960 -0.178 0.000 0.219 4 G HA3 -0.166 3.687 3.960 -0.178 0.000 0.219 4 G C 1.174 176.186 174.900 0.186 0.000 1.119 4 G CA 0.363 45.533 45.100 0.116 0.000 0.766 4 G HN 0.278 nan 8.290 nan 0.000 0.552 5 L N -0.160 121.203 121.223 0.233 0.000 2.607 5 L HA 0.214 4.447 4.340 -0.178 0.000 0.228 5 L C 0.808 178.011 176.870 0.555 0.000 1.123 5 L CA -0.206 54.875 54.840 0.402 0.000 0.890 5 L CB 0.032 42.314 42.059 0.372 0.000 1.103 5 L HN 0.113 nan 8.230 nan 0.000 0.468 6 Q N 2.097 122.068 119.800 0.286 0.000 2.340 6 Q HA 0.252 4.485 4.340 -0.178 0.000 0.249 6 Q C -2.123 173.819 176.000 -0.096 0.000 0.957 6 Q CA -1.623 54.221 55.803 0.068 0.000 0.882 6 Q CB 0.656 29.394 28.738 0.001 0.000 1.235 6 Q HN -0.017 nan 8.270 nan 0.000 0.439 7 P HA 0.122 nan 4.420 nan 0.000 0.275 7 P C -0.150 176.981 177.300 -0.281 0.000 1.227 7 P CA -0.058 62.467 63.100 -0.958 0.000 0.781 7 P CB 0.832 31.625 31.700 -1.512 0.000 0.906 8 G N 1.737 110.497 108.800 -0.067 0.000 2.509 8 G HA2 0.307 4.160 3.960 -0.178 0.000 0.269 8 G HA3 0.307 4.160 3.960 -0.178 0.000 0.269 8 G C -0.636 174.085 174.900 -0.299 0.000 1.416 8 G CA -0.153 44.828 45.100 -0.198 0.000 1.052 8 G HN 0.496 nan 8.290 nan 0.000 0.542 9 Q N -1.186 118.332 119.800 -0.470 0.000 2.230 9 Q HA 0.630 4.863 4.340 -0.178 0.000 0.253 9 Q C -1.578 174.027 176.000 -0.658 0.000 0.919 9 Q CA -0.316 55.273 55.803 -0.355 0.000 0.908 9 Q CB 1.082 29.706 28.738 -0.191 0.000 1.245 9 Q HN 0.294 nan 8.270 nan 0.000 0.437 10 F N 0.196 120.200 119.950 0.090 0.000 2.601 10 F HA 0.432 4.853 4.527 -0.178 0.000 0.309 10 F C 0.081 175.935 175.800 0.090 0.000 1.089 10 F CA -1.038 57.050 58.000 0.148 0.000 0.940 10 F CB 1.848 41.036 39.000 0.314 0.000 1.273 10 F HN 0.550 nan 8.300 nan 0.000 0.450 11 S N 0.856 116.726 115.700 0.285 0.000 2.572 11 S HA 0.517 4.880 4.470 -0.178 0.000 0.279 11 S C 0.207 174.948 174.600 0.236 0.000 1.341 11 S CA -0.404 57.906 58.200 0.184 0.000 1.043 11 S CB 1.284 64.572 63.200 0.147 0.000 0.887 11 S HN 0.906 nan 8.310 nan 0.000 0.516 12 A N 2.370 125.275 122.820 0.142 0.000 3.118 12 A HA 0.487 4.700 4.320 -0.178 0.000 0.256 12 A C -0.054 177.710 177.584 0.301 0.000 1.667 12 A CA -0.568 51.561 52.037 0.154 0.000 1.338 12 A CB -1.315 17.683 19.000 -0.004 0.000 1.127 12 A HN 0.933 nan 8.150 nan 0.000 0.634 13 D N -2.465 118.158 120.400 0.372 0.000 2.664 13 D HA 0.156 4.689 4.640 -0.178 0.000 0.292 13 D C 0.596 176.888 176.300 -0.013 0.000 1.214 13 D CA -0.523 53.618 54.000 0.234 0.000 0.932 13 D CB 0.168 41.044 40.800 0.126 0.000 1.420 13 D HN 0.040 nan 8.370 nan 0.000 0.471 14 E N -0.276 119.742 120.200 -0.303 0.000 2.085 14 E HA -0.220 4.023 4.350 -0.178 0.000 0.194 14 E C 1.888 178.214 176.600 -0.457 0.000 0.994 14 E CA 1.641 57.518 56.400 -0.871 0.000 0.801 14 E CB -0.254 29.019 29.700 -0.712 0.000 0.743 14 E HN 0.492 nan 8.360 nan 0.000 0.453 15 A N 0.579 123.282 122.820 -0.195 0.000 1.877 15 A HA -0.108 4.105 4.320 -0.178 0.000 0.216 15 A C 2.435 180.009 177.584 -0.016 0.000 1.186 15 A CA 1.758 53.745 52.037 -0.084 0.000 0.620 15 A CB -1.238 17.751 19.000 -0.018 0.000 0.822 15 A HN 0.458 nan 8.150 nan 0.000 0.443 16 G N -0.702 108.133 108.800 0.058 0.000 2.432 16 G HA2 0.042 3.895 3.960 -0.178 0.000 0.219 16 G HA3 0.042 3.895 3.960 -0.178 0.000 0.219 16 G C 1.671 176.658 174.900 0.145 0.000 1.135 16 G CA 1.312 46.541 45.100 0.214 0.000 0.767 16 G HN 0.801 nan 8.290 nan 0.000 0.550 17 A N 0.034 122.755 122.820 -0.165 0.000 1.969 17 A HA -0.025 4.188 4.320 -0.178 0.000 0.218 17 A C 2.372 179.819 177.584 -0.229 0.000 1.169 17 A CA 1.630 53.354 52.037 -0.522 0.000 0.635 17 A CB -0.248 18.142 19.000 -1.016 0.000 0.810 17 A HN 0.334 nan 8.150 nan 0.000 0.445 18 Q N -0.281 119.408 119.800 -0.185 0.000 2.119 18 Q HA -0.060 4.173 4.340 -0.178 0.000 0.201 18 Q C 2.143 178.123 176.000 -0.034 0.000 0.972 18 Q CA 1.129 56.872 55.803 -0.100 0.000 0.847 18 Q CB -0.366 28.319 28.738 -0.089 0.000 0.903 18 Q HN 0.714 nan 8.270 nan 0.000 0.433 19 L N -0.431 120.801 121.223 0.015 0.000 2.093 19 L HA -0.138 4.095 4.340 -0.178 0.000 0.208 19 L C 2.328 179.107 176.870 -0.153 0.000 1.085 19 L CA 0.773 55.658 54.840 0.074 0.000 0.755 19 L CB -0.467 41.769 42.059 0.295 0.000 0.904 19 L HN 0.114 nan 8.230 nan 0.000 0.435 20 F N 1.029 120.615 119.950 -0.607 0.000 2.095 20 F HA -0.271 4.149 4.527 -0.179 0.000 0.298 20 F C 2.437 178.082 175.800 -0.259 0.000 1.104 20 F CA 1.491 58.956 58.000 -0.892 0.000 1.232 20 F CB -0.206 38.494 39.000 -0.500 0.000 0.987 20 F HN -0.001 nan 8.300 nan 0.000 0.475 21 A N -0.126 122.651 122.820 -0.071 0.000 1.902 21 A HA -0.214 3.999 4.320 -0.178 0.000 0.217 21 A C 2.131 179.667 177.584 -0.080 0.000 1.181 21 A CA 1.750 53.750 52.037 -0.063 0.000 0.623 21 A CB -0.853 18.143 19.000 -0.007 0.000 0.818 21 A HN 0.607 nan 8.150 nan 0.000 0.443 22 Q N -0.885 118.875 119.800 -0.067 0.000 2.050 22 Q HA -0.142 4.091 4.340 -0.178 0.000 0.202 22 Q C 2.475 178.438 176.000 -0.062 0.000 0.980 22 Q CA 1.711 57.489 55.803 -0.041 0.000 0.840 22 Q CB -0.257 28.485 28.738 0.006 0.000 0.898 22 Q HN 0.652 nan 8.270 nan 0.000 0.424 23 S N -0.357 115.317 115.700 -0.043 0.000 2.383 23 S HA -0.184 4.179 4.470 -0.178 0.000 0.227 23 S C 1.791 176.223 174.600 -0.280 0.000 1.026 23 S CA 0.919 59.141 58.200 0.038 0.000 0.981 23 S CB -0.319 63.112 63.200 0.385 0.000 0.818 23 S HN 0.504 nan 8.310 nan 0.000 0.472 24 Y N 1.933 121.763 120.300 -0.782 0.000 2.097 24 Y HA -0.184 4.259 4.550 -0.178 0.000 0.282 24 Y C 2.349 177.850 175.900 -0.665 0.000 1.152 24 Y CA 2.365 59.659 58.100 -1.342 0.000 1.136 24 Y CB -0.716 37.111 38.460 -1.055 0.000 0.975 24 Y HN 0.360 nan 8.280 nan 0.000 0.498 25 Q N -0.892 118.639 119.800 -0.449 0.000 2.230 25 Q HA -0.143 4.090 4.340 -0.178 0.000 0.202 25 Q C 2.571 178.379 176.000 -0.320 0.000 0.963 25 Q CA 1.280 56.850 55.803 -0.388 0.000 0.866 25 Q CB -0.199 28.454 28.738 -0.140 0.000 0.931 25 Q HN 0.481 nan 8.270 nan 0.000 0.452 26 S N -0.122 115.432 115.700 -0.243 0.000 2.355 26 S HA -0.134 4.230 4.470 -0.178 0.000 0.222 26 S C 2.000 176.482 174.600 -0.196 0.000 1.031 26 S CA 1.559 59.663 58.200 -0.160 0.000 0.993 26 S CB -0.068 63.089 63.200 -0.073 0.000 0.859 26 S HN 0.267 nan 8.310 nan 0.000 0.453 27 S N 1.058 116.609 115.700 -0.249 0.000 2.414 27 S HA 0.217 4.580 4.470 -0.178 0.000 0.227 27 S C 2.171 176.481 174.600 -0.484 0.000 1.022 27 S CA 0.781 58.859 58.200 -0.202 0.000 0.958 27 S CB -0.486 62.745 63.200 0.052 0.000 0.797 27 S HN 0.689 nan 8.310 nan 0.000 0.493 28 A N 1.704 124.130 122.820 -0.658 0.000 1.972 28 A HA -0.134 4.080 4.320 -0.178 0.000 0.219 28 A C 1.937 179.177 177.584 -0.573 0.000 1.169 28 A CA 1.283 52.794 52.037 -0.876 0.000 0.635 28 A CB -0.470 18.002 19.000 -0.880 0.000 0.810 28 A HN 0.517 nan 8.150 nan 0.000 0.446 29 E N -0.346 119.633 120.200 -0.367 0.000 2.085 29 E HA -0.263 3.980 4.350 -0.178 0.000 0.194 29 E C 2.280 178.806 176.600 -0.122 0.000 0.994 29 E CA 1.607 57.895 56.400 -0.186 0.000 0.801 29 E CB -0.203 29.428 29.700 -0.114 0.000 0.743 29 E HN 0.760 nan 8.360 nan 0.000 0.453 30 Q N 0.089 119.784 119.800 -0.174 0.000 2.079 30 Q HA -0.124 4.109 4.340 -0.178 0.000 0.200 30 Q C 2.365 178.311 176.000 -0.090 0.000 0.974 30 Q CA 1.210 56.955 55.803 -0.097 0.000 0.840 30 Q CB 0.069 28.739 28.738 -0.113 0.000 0.898 30 Q HN 0.152 nan 8.270 nan 0.000 0.430 31 V N 1.051 120.780 119.914 -0.309 0.000 2.307 31 V HA -0.238 3.775 4.120 -0.178 0.000 0.245 31 V C 2.192 178.157 176.094 -0.215 0.000 1.045 31 V CA 1.431 63.522 62.300 -0.349 0.000 1.024 31 V CB -0.491 30.851 31.823 -0.802 0.000 0.651 31 V HN 0.312 nan 8.190 nan 0.000 0.449 32 L N -1.085 119.990 121.223 -0.246 0.000 2.012 32 L HA -0.205 4.028 4.340 -0.178 0.000 0.210 32 L C 2.388 179.273 176.870 0.026 0.000 1.073 32 L CA 2.000 56.745 54.840 -0.157 0.000 0.748 32 L CB -0.691 41.176 42.059 -0.321 0.000 0.891 32 L HN 0.351 nan 8.230 nan 0.000 0.431 33 F N 1.638 121.575 119.950 -0.021 0.000 2.065 33 F HA -0.373 4.047 4.527 -0.178 0.000 0.298 33 F C 2.715 178.553 175.800 0.064 0.000 1.112 33 F CA 2.263 60.300 58.000 0.062 0.000 1.212 33 F CB -0.379 38.647 39.000 0.043 0.000 0.975 33 F HN 0.213 nan 8.300 nan 0.000 0.476 34 Q N 0.664 120.500 119.800 0.061 0.000 2.124 34 Q HA -0.169 4.064 4.340 -0.178 0.000 0.202 34 Q C 2.042 177.998 176.000 -0.074 0.000 0.977 34 Q CA 2.280 58.069 55.803 -0.025 0.000 0.850 34 Q CB -1.384 27.395 28.738 0.068 0.000 0.901 34 Q HN 0.480 nan 8.270 nan 0.000 0.429 35 S N -0.296 115.369 115.700 -0.057 0.000 2.387 35 S HA -0.039 4.324 4.470 -0.178 0.000 0.226 35 S C 2.000 176.581 174.600 -0.031 0.000 1.026 35 S CA 0.739 58.920 58.200 -0.031 0.000 0.972 35 S CB -0.733 62.454 63.200 -0.021 0.000 0.814 35 S HN 0.211 nan 8.310 nan 0.000 0.477 36 V N 2.714 122.569 119.914 -0.099 0.000 2.358 36 V HA -0.082 3.931 4.120 -0.178 0.000 0.246 36 V C 3.185 179.204 176.094 -0.125 0.000 1.047 36 V CA 1.642 63.855 62.300 -0.146 0.000 1.035 36 V CB -1.518 30.057 31.823 -0.414 0.000 0.658 36 V HN 0.658 nan 8.190 nan 0.000 0.452 37 A N 0.054 122.746 122.820 -0.213 0.000 1.908 37 A HA -0.150 4.063 4.320 -0.178 0.000 0.218 37 A C 2.402 180.040 177.584 0.090 0.000 1.181 37 A CA 2.231 54.246 52.037 -0.037 0.000 0.627 37 A CB -0.749 18.032 19.000 -0.364 0.000 0.818 37 A HN 0.577 nan 8.150 nan 0.000 0.445 38 A N -0.860 121.987 122.820 0.046 0.000 1.930 38 A HA -0.006 4.207 4.320 -0.178 0.000 0.217 38 A C 2.429 180.105 177.584 0.153 0.000 1.175 38 A CA 1.883 53.974 52.037 0.090 0.000 0.627 38 A CB -0.765 18.269 19.000 0.055 0.000 0.815 38 A HN 0.439 nan 8.150 nan 0.000 0.443 39 S N -1.353 114.463 115.700 0.192 0.000 2.368 39 S HA -0.170 4.194 4.470 -0.178 0.000 0.225 39 S C 1.622 176.436 174.600 0.357 0.000 1.030 39 S CA 1.012 59.398 58.200 0.310 0.000 0.999 39 S CB -0.462 62.968 63.200 0.383 0.000 0.844 39 S HN 0.785 nan 8.310 nan 0.000 0.459 40 W N 2.520 123.835 121.300 0.023 0.000 2.335 40 W HA -0.197 4.356 4.660 -0.178 0.000 0.311 40 W C 2.388 178.817 176.519 -0.149 0.000 1.213 40 W CA 1.532 58.648 57.345 -0.381 0.000 1.274 40 W CB -0.690 28.543 29.460 -0.379 0.000 1.148 40 W HN 0.337 nan 8.180 nan 0.000 0.498 41 A N -0.289 122.606 122.820 0.124 0.000 1.972 41 A HA -0.287 3.927 4.320 -0.178 0.000 0.219 41 A C 2.096 179.672 177.584 -0.013 0.000 1.169 41 A CA 1.925 53.994 52.037 0.054 0.000 0.635 41 A CB -1.502 17.572 19.000 0.123 0.000 0.810 41 A HN 0.610 nan 8.150 nan 0.000 0.446 42 H N -0.207 118.843 119.070 -0.033 0.000 2.307 42 H HA -0.094 4.355 4.556 -0.178 0.000 0.303 42 H C 1.095 176.388 175.328 -0.060 0.000 1.073 42 H CA 1.688 57.725 56.048 -0.018 0.000 1.338 42 H CB -0.099 29.685 29.762 0.037 0.000 1.389 42 H HN 0.360 nan 8.280 nan 0.000 0.503 43 D N -0.009 120.378 120.400 -0.020 0.000 2.264 43 D HA -0.097 4.436 4.640 -0.178 0.000 0.208 43 D C 1.821 177.947 176.300 -0.289 0.000 0.966 43 D CA 1.608 55.566 54.000 -0.070 0.000 0.864 43 D CB -0.287 40.611 40.800 0.163 0.000 0.933 43 D HN 0.565 nan 8.370 nan 0.000 0.499 44 T N -2.868 111.396 114.554 -0.484 0.000 3.122 44 T HA 0.109 4.353 4.350 -0.178 0.000 0.250 44 T C 0.448 174.973 174.700 -0.291 0.000 1.067 44 T CA -0.426 61.379 62.100 -0.491 0.000 0.966 44 T CB 0.068 68.465 68.868 -0.785 0.000 1.002 44 T HN -0.116 nan 8.240 nan 0.000 0.542 45 N N 0.793 119.338 118.700 -0.259 0.000 3.304 45 N HA 0.153 4.786 4.740 -0.178 0.000 0.187 45 N C -1.473 173.901 175.510 -0.226 0.000 1.482 45 N CA -0.414 52.526 53.050 -0.183 0.000 0.785 45 N CB -0.208 38.203 38.487 -0.126 0.000 1.619 45 N HN 0.352 nan 8.380 nan 0.000 0.624 46 I N 2.176 122.587 120.570 -0.266 0.000 2.483 46 I HA 0.182 4.245 4.170 -0.178 0.000 0.291 46 I C 0.644 176.676 176.117 -0.142 0.000 1.112 46 I CA 0.292 61.377 61.300 -0.358 0.000 1.350 46 I CB 0.220 38.058 38.000 -0.269 0.000 1.419 46 I HN 0.482 nan 8.210 nan 0.000 0.523 47 T N 1.836 116.347 114.554 -0.071 0.000 2.864 47 T HA 0.581 4.824 4.350 -0.178 0.000 0.299 47 T C 0.707 175.458 174.700 0.084 0.000 1.166 47 T CA -0.304 61.805 62.100 0.015 0.000 1.007 47 T CB 1.860 70.736 68.868 0.012 0.000 1.219 47 T HN 0.404 nan 8.240 nan 0.000 0.506 48 A N 0.485 123.347 122.820 0.069 0.000 1.908 48 A HA -0.035 4.178 4.320 -0.178 0.000 0.218 48 A C 2.134 179.766 177.584 0.079 0.000 1.181 48 A CA 2.175 54.258 52.037 0.076 0.000 0.627 48 A CB -1.139 17.893 19.000 0.053 0.000 0.818 48 A HN 0.924 nan 8.150 nan 0.000 0.445 49 E N 0.515 120.755 120.200 0.066 0.000 2.106 49 E HA -0.119 4.124 4.350 -0.178 0.000 0.192 49 E C 1.761 178.410 176.600 0.081 0.000 0.984 49 E CA 1.384 57.821 56.400 0.062 0.000 0.806 49 E CB -0.228 29.500 29.700 0.047 0.000 0.750 49 E HN 0.574 nan 8.360 nan 0.000 0.458 50 N N 0.089 118.853 118.700 0.106 0.000 2.244 50 N HA -0.080 4.553 4.740 -0.178 0.000 0.183 50 N C 1.502 177.137 175.510 0.207 0.000 1.016 50 N CA 1.213 54.352 53.050 0.148 0.000 0.866 50 N CB -0.394 38.174 38.487 0.134 0.000 0.980 50 N HN 0.242 nan 8.380 nan 0.000 0.430 51 A N 1.452 124.422 122.820 0.250 0.000 1.877 51 A HA -0.139 4.074 4.320 -0.178 0.000 0.216 51 A C 2.268 179.870 177.584 0.029 0.000 1.186 51 A CA 1.243 53.335 52.037 0.091 0.000 0.620 51 A CB -0.512 18.555 19.000 0.113 0.000 0.822 51 A HN 0.214 nan 8.150 nan 0.000 0.443 52 R N -0.367 120.166 120.500 0.055 0.000 2.083 52 R HA -0.150 4.083 4.340 -0.178 0.000 0.237 52 R C 2.402 178.726 176.300 0.041 0.000 1.137 52 R CA 1.693 57.818 56.100 0.043 0.000 0.951 52 R CB -0.271 30.057 30.300 0.046 0.000 0.851 52 R HN 0.538 nan 8.270 nan 0.000 0.434 53 R N 0.142 120.673 120.500 0.052 0.000 2.081 53 R HA -0.192 4.041 4.340 -0.178 0.000 0.235 53 R C 2.440 178.767 176.300 0.044 0.000 1.131 53 R CA 1.931 58.062 56.100 0.052 0.000 0.960 53 R CB -0.237 30.101 30.300 0.062 0.000 0.856 53 R HN 0.402 nan 8.270 nan 0.000 0.436 54 Q N 0.900 120.721 119.800 0.034 0.000 2.245 54 Q HA -0.087 4.146 4.340 -0.178 0.000 0.201 54 Q C 1.313 177.320 176.000 0.010 0.000 0.955 54 Q CA 1.511 57.325 55.803 0.018 0.000 0.870 54 Q CB -0.026 28.708 28.738 -0.007 0.000 0.945 54 Q HN 0.337 nan 8.270 nan 0.000 0.461 55 E N 0.369 120.573 120.200 0.006 0.000 2.106 55 E HA -0.158 4.085 4.350 -0.178 0.000 0.192 55 E C 1.995 178.620 176.600 0.042 0.000 0.984 55 E CA 1.216 57.630 56.400 0.024 0.000 0.806 55 E CB 0.092 29.805 29.700 0.022 0.000 0.750 55 E HN 0.446 nan 8.360 nan 0.000 0.458 56 E N 0.163 120.387 120.200 0.041 0.000 2.106 56 E HA -0.143 4.100 4.350 -0.178 0.000 0.192 56 E C 1.988 178.616 176.600 0.048 0.000 0.984 56 E CA 0.789 57.216 56.400 0.046 0.000 0.806 56 E CB -0.327 29.399 29.700 0.044 0.000 0.750 56 E HN 0.474 nan 8.360 nan 0.000 0.458 57 A N 0.821 123.666 122.820 0.043 0.000 1.930 57 A HA 0.087 4.300 4.320 -0.178 0.000 0.217 57 A C 2.496 180.107 177.584 0.045 0.000 1.175 57 A CA 1.729 53.789 52.037 0.039 0.000 0.627 57 A CB -0.759 18.259 19.000 0.031 0.000 0.815 57 A HN 0.455 nan 8.150 nan 0.000 0.443 58 A N -0.257 122.595 122.820 0.054 0.000 1.902 58 A HA -0.027 4.186 4.320 -0.178 0.000 0.217 58 A C 2.165 179.801 177.584 0.085 0.000 1.181 58 A CA 1.405 53.487 52.037 0.075 0.000 0.623 58 A CB -0.562 18.493 19.000 0.091 0.000 0.818 58 A HN 0.464 nan 8.150 nan 0.000 0.443 59 L N -0.636 120.634 121.223 0.078 0.000 2.046 59 L HA -0.191 4.042 4.340 -0.178 0.000 0.208 59 L C 2.597 179.518 176.870 0.084 0.000 1.077 59 L CA 1.145 56.032 54.840 0.077 0.000 0.747 59 L CB -0.493 41.606 42.059 0.067 0.000 0.896 59 L HN 0.409 nan 8.230 nan 0.000 0.432 60 L N -1.114 120.157 121.223 0.080 0.000 2.042 60 L HA -0.234 4.000 4.340 -0.178 0.000 0.210 60 L C 2.707 179.652 176.870 0.125 0.000 1.076 60 L CA 1.247 56.143 54.840 0.093 0.000 0.749 60 L CB -0.516 41.584 42.059 0.068 0.000 0.893 60 L HN 0.205 nan 8.230 nan 0.000 0.432 61 S N -0.677 115.080 115.700 0.096 0.000 2.368 61 S HA -0.244 4.119 4.470 -0.178 0.000 0.225 61 S C 1.933 176.644 174.600 0.186 0.000 1.030 61 S CA 1.314 59.583 58.200 0.115 0.000 0.999 61 S CB -0.195 63.042 63.200 0.060 0.000 0.844 61 S HN 0.448 nan 8.310 nan 0.000 0.459 62 Q N 0.700 120.580 119.800 0.134 0.000 2.079 62 Q HA -0.087 4.146 4.340 -0.178 0.000 0.200 62 Q C 2.206 178.280 176.000 0.124 0.000 0.974 62 Q CA 1.092 56.959 55.803 0.108 0.000 0.840 62 Q CB -0.134 28.640 28.738 0.060 0.000 0.898 62 Q HN 0.581 nan 8.270 nan 0.000 0.430 63 E N 0.073 120.356 120.200 0.138 0.000 2.058 63 E HA -0.222 4.021 4.350 -0.178 0.000 0.194 63 E C 1.701 178.425 176.600 0.207 0.000 0.997 63 E CA 1.157 57.642 56.400 0.141 0.000 0.801 63 E CB -0.179 29.604 29.700 0.139 0.000 0.746 63 E HN 0.280 nan 8.360 nan 0.000 0.450 64 F N 1.330 121.360 119.950 0.134 0.000 2.075 64 F HA -0.192 4.228 4.527 -0.179 0.000 0.297 64 F C 2.253 178.233 175.800 0.300 0.000 1.113 64 F CA 1.574 59.709 58.000 0.226 0.000 1.218 64 F CB -0.363 38.718 39.000 0.135 0.000 0.984 64 F HN -0.054 nan 8.300 nan 0.000 0.472 65 A N -0.109 122.889 122.820 0.296 0.000 1.908 65 A HA -0.264 3.949 4.320 -0.178 0.000 0.218 65 A C 2.251 179.894 177.584 0.098 0.000 1.181 65 A CA 1.910 54.062 52.037 0.191 0.000 0.627 65 A CB -1.095 18.016 19.000 0.186 0.000 0.818 65 A HN 0.618 nan 8.150 nan 0.000 0.445 66 E N -0.170 120.075 120.200 0.075 0.000 2.031 66 E HA -0.143 4.100 4.350 -0.178 0.000 0.193 66 E C 2.200 178.806 176.600 0.011 0.000 0.994 66 E CA 1.116 57.534 56.400 0.030 0.000 0.800 66 E CB -0.277 29.434 29.700 0.019 0.000 0.752 66 E HN 0.524 nan 8.360 nan 0.000 0.447 67 A N 0.279 123.098 122.820 -0.002 0.000 1.902 67 A HA -0.178 4.035 4.320 -0.178 0.000 0.217 67 A C 1.802 179.295 177.584 -0.152 0.000 1.181 67 A CA 1.472 53.451 52.037 -0.097 0.000 0.623 67 A CB -1.076 17.842 19.000 -0.137 0.000 0.818 67 A HN 0.503 nan 8.150 nan 0.000 0.443 68 W N -0.444 120.763 121.300 -0.155 0.000 2.453 68 W HA 0.152 4.705 4.660 -0.179 0.000 0.289 68 W C 2.533 179.073 176.519 0.034 0.000 1.215 68 W CA 0.879 58.181 57.345 -0.072 0.000 1.297 68 W CB -0.590 28.731 29.460 -0.232 0.000 1.113 68 W HN 0.357 nan 8.180 nan 0.000 0.551 69 G N -0.155 108.740 108.800 0.158 0.000 2.418 69 G HA2 -0.258 3.595 3.960 -0.178 0.000 0.217 69 G HA3 -0.258 3.595 3.960 -0.178 0.000 0.217 69 G C 1.363 176.279 174.900 0.027 0.000 1.158 69 G CA 0.846 45.987 45.100 0.068 0.000 0.771 69 G HN 0.265 nan 8.290 nan 0.000 0.545 70 Q N 0.200 120.003 119.800 0.006 0.000 2.124 70 Q HA -0.078 4.155 4.340 -0.178 0.000 0.202 70 Q C 3.087 179.059 176.000 -0.046 0.000 0.977 70 Q CA 1.887 57.674 55.803 -0.028 0.000 0.850 70 Q CB -0.247 28.466 28.738 -0.040 0.000 0.901 70 Q HN 0.564 nan 8.270 nan 0.000 0.429 71 K N 0.705 121.089 120.400 -0.028 0.000 2.057 71 K HA 0.002 4.215 4.320 -0.178 0.000 0.206 71 K C 2.027 178.528 176.600 -0.165 0.000 1.050 71 K CA 1.350 57.607 56.287 -0.050 0.000 0.935 71 K CB -1.079 31.447 32.500 0.042 0.000 0.715 71 K HN 0.337 nan 8.250 nan 0.000 0.439 72 A N 1.363 124.128 122.820 -0.091 0.000 1.933 72 A HA -0.152 4.061 4.320 -0.178 0.000 0.218 72 A C 2.348 179.843 177.584 -0.149 0.000 1.175 72 A CA 1.918 53.817 52.037 -0.230 0.000 0.628 72 A CB -0.225 18.749 19.000 -0.044 0.000 0.814 72 A HN 0.594 nan 8.150 nan 0.000 0.444 73 K N -0.768 119.576 120.400 -0.093 0.000 2.103 73 K HA -0.085 4.128 4.320 -0.178 0.000 0.204 73 K C 2.002 178.548 176.600 -0.089 0.000 1.052 73 K CA 1.234 57.490 56.287 -0.051 0.000 0.945 73 K CB -0.085 32.398 32.500 -0.028 0.000 0.722 73 K HN 0.605 nan 8.250 nan 0.000 0.443 74 E N 0.752 120.872 120.200 -0.135 0.000 2.153 74 E HA -0.139 4.104 4.350 -0.178 0.000 0.194 74 E C 1.666 178.129 176.600 -0.228 0.000 0.988 74 E CA 0.917 57.227 56.400 -0.150 0.000 0.811 74 E CB 0.197 29.813 29.700 -0.140 0.000 0.746 74 E HN 0.205 nan 8.360 nan 0.000 0.466 75 L N -1.778 119.195 121.223 -0.416 0.000 2.388 75 L HA 0.063 4.296 4.340 -0.178 0.000 0.209 75 L C 1.026 177.523 176.870 -0.621 0.000 1.061 75 L CA 0.341 54.756 54.840 -0.708 0.000 0.834 75 L CB 0.284 41.526 42.059 -1.362 0.000 1.029 75 L HN 0.149 nan 8.230 nan 0.000 0.473 76 Y N -1.937 118.341 120.300 -0.037 0.000 2.563 76 Y HA 0.121 4.564 4.550 -0.178 0.000 0.250 76 Y C 1.980 177.982 175.900 0.169 0.000 1.126 76 Y CA -0.331 57.808 58.100 0.065 0.000 1.231 76 Y CB 0.521 39.022 38.460 0.068 0.000 1.288 76 Y HN -0.038 nan 8.280 nan 0.000 0.537 77 E N 2.595 122.932 120.200 0.228 0.000 2.049 77 E HA -0.169 4.074 4.350 -0.178 0.000 0.198 77 E C -0.677 175.992 176.600 0.116 0.000 1.007 77 E CA 2.043 58.606 56.400 0.273 0.000 0.809 77 E CB -0.916 28.855 29.700 0.120 0.000 0.749 77 E HN 0.251 nan 8.360 nan 0.000 0.450 78 P HA -0.022 nan 4.420 nan 0.000 0.231 78 P C 1.306 178.514 177.300 -0.153 0.000 1.168 78 P CA 1.179 64.235 63.100 -0.074 0.000 0.779 78 P CB -0.060 31.614 31.700 -0.044 0.000 0.844 79 I N -5.240 115.252 120.570 -0.130 0.000 4.139 79 I HA 0.174 4.238 4.170 -0.178 0.000 0.320 79 I C 2.412 178.134 176.117 -0.659 0.000 1.290 79 I CA -0.365 60.795 61.300 -0.233 0.000 1.253 79 I CB -1.033 36.968 38.000 0.002 0.000 1.122 79 I HN -0.135 nan 8.210 nan 0.000 0.421 80 W N 2.786 123.642 121.300 -0.740 0.000 2.392 80 W HA -0.132 4.421 4.660 -0.180 0.000 0.279 80 W C 1.304 177.360 176.519 -0.772 0.000 1.225 80 W CA 0.771 57.387 57.345 -1.215 0.000 1.233 80 W CB -0.971 28.196 29.460 -0.489 0.000 1.122 80 W HN 0.262 nan 8.180 nan 0.000 0.561 81 Q N 1.077 120.211 119.800 -1.110 0.000 2.364 81 Q HA -0.153 4.080 4.340 -0.178 0.000 0.207 81 Q C 1.626 177.367 176.000 -0.432 0.000 0.970 81 Q CA 1.527 56.798 55.803 -0.887 0.000 0.888 81 Q CB -0.399 27.797 28.738 -0.903 0.000 0.951 81 Q HN 0.327 nan 8.270 nan 0.000 0.469 82 Q N -1.045 118.518 119.800 -0.395 0.000 2.220 82 Q HA 0.158 4.391 4.340 -0.178 0.000 0.205 82 Q C -0.874 175.147 176.000 0.035 0.000 0.865 82 Q CA -0.147 55.559 55.803 -0.162 0.000 0.960 82 Q CB 0.510 29.172 28.738 -0.127 0.000 1.097 82 Q HN 0.135 nan 8.270 nan 0.000 0.493 83 F N -0.024 119.928 119.950 0.002 0.000 2.518 83 F HA 0.045 4.466 4.527 -0.178 0.000 0.359 83 F C 1.792 177.601 175.800 0.015 0.000 1.118 83 F CA -0.036 57.976 58.000 0.021 0.000 1.287 83 F CB 0.503 39.529 39.000 0.044 0.000 1.132 83 F HN -0.032 nan 8.300 nan 0.000 0.587 84 T N -0.192 114.486 114.554 0.208 0.000 2.708 84 T HA -0.175 4.068 4.350 -0.178 0.000 0.266 84 T C 0.456 175.210 174.700 0.091 0.000 1.037 84 T CA 1.150 63.313 62.100 0.104 0.000 1.146 84 T CB -0.302 68.600 68.868 0.057 0.000 0.865 84 T HN 0.410 nan 8.240 nan 0.000 0.435 85 D N 1.959 122.410 120.400 0.085 0.000 2.342 85 D HA 0.100 4.633 4.640 -0.178 0.000 0.260 85 D C -1.776 174.586 176.300 0.103 0.000 1.278 85 D CA -2.259 51.780 54.000 0.065 0.000 0.910 85 D CB 1.432 42.244 40.800 0.020 0.000 1.079 85 D HN 0.072 nan 8.370 nan 0.000 0.496 86 P HA -0.122 nan 4.420 nan 0.000 0.218 86 P C 1.256 178.609 177.300 0.088 0.000 1.149 86 P CA 0.840 63.993 63.100 0.089 0.000 0.817 86 P CB 0.279 32.013 31.700 0.057 0.000 0.785 87 Q N -0.751 119.086 119.800 0.062 0.000 2.119 87 Q HA -0.147 4.086 4.340 -0.178 0.000 0.201 87 Q C 1.951 177.982 176.000 0.053 0.000 0.972 87 Q CA 0.946 56.776 55.803 0.045 0.000 0.847 87 Q CB -0.548 28.205 28.738 0.026 0.000 0.903 87 Q HN 0.103 nan 8.270 nan 0.000 0.433 88 L N 0.645 121.909 121.223 0.068 0.000 2.056 88 L HA -0.122 4.111 4.340 -0.178 0.000 0.207 88 L C 2.161 179.124 176.870 0.154 0.000 1.078 88 L CA 1.614 56.500 54.840 0.076 0.000 0.749 88 L CB -0.309 41.774 42.059 0.040 0.000 0.901 88 L HN 0.074 nan 8.230 nan 0.000 0.433 89 R N -0.583 120.065 120.500 0.246 0.000 2.091 89 R HA -0.176 4.057 4.340 -0.178 0.000 0.238 89 R C 2.354 178.786 176.300 0.219 0.000 1.136 89 R CA 1.850 58.162 56.100 0.354 0.000 0.959 89 R CB -0.374 30.136 30.300 0.349 0.000 0.856 89 R HN 0.417 nan 8.270 nan 0.000 0.437 90 R N 0.258 120.840 120.500 0.137 0.000 2.081 90 R HA -0.086 4.148 4.340 -0.178 0.000 0.235 90 R C 2.334 178.632 176.300 -0.004 0.000 1.131 90 R CA 1.396 57.542 56.100 0.078 0.000 0.960 90 R CB -0.346 29.991 30.300 0.062 0.000 0.856 90 R HN 0.213 nan 8.270 nan 0.000 0.436 91 I N 0.518 121.078 120.570 -0.016 0.000 2.163 91 I HA -0.270 3.794 4.170 -0.178 0.000 0.240 91 I C 2.070 178.092 176.117 -0.158 0.000 1.081 91 I CA 1.018 62.282 61.300 -0.060 0.000 1.353 91 I CB -0.248 37.734 38.000 -0.029 0.000 1.054 91 I HN 0.093 nan 8.210 nan 0.000 0.407 92 I N 1.060 121.518 120.570 -0.187 0.000 2.286 92 I HA -0.194 3.869 4.170 -0.178 0.000 0.248 92 I C 2.724 178.420 176.117 -0.702 0.000 1.115 92 I CA 1.752 62.841 61.300 -0.351 0.000 1.392 92 I CB -2.154 35.675 38.000 -0.286 0.000 1.065 92 I HN 0.272 nan 8.210 nan 0.000 0.418 93 G N 0.839 109.107 108.800 -0.887 0.000 2.469 93 G HA2 -0.233 3.620 3.960 -0.178 0.000 0.219 93 G HA3 -0.233 3.620 3.960 -0.178 0.000 0.219 93 G C 1.842 176.551 174.900 -0.319 0.000 1.150 93 G CA 1.110 45.659 45.100 -0.917 0.000 0.763 93 G HN 0.505 nan 8.290 nan 0.000 0.561 94 A N -0.081 122.640 122.820 -0.166 0.000 1.929 94 A HA 0.183 4.397 4.320 -0.178 0.000 0.216 94 A C 2.580 180.127 177.584 -0.063 0.000 1.176 94 A CA 1.609 53.634 52.037 -0.019 0.000 0.628 94 A CB -0.421 18.587 19.000 0.014 0.000 0.816 94 A HN 0.253 nan 8.150 nan 0.000 0.444 95 V N 1.097 120.889 119.914 -0.203 0.000 2.343 95 V HA -0.254 3.759 4.120 -0.178 0.000 0.247 95 V C 2.518 178.538 176.094 -0.124 0.000 1.051 95 V CA 2.234 64.384 62.300 -0.249 0.000 1.036 95 V CB -0.942 30.636 31.823 -0.409 0.000 0.654 95 V HN 0.838 nan 8.190 nan 0.000 0.451 96 R N 0.665 121.062 120.500 -0.172 0.000 2.323 96 R HA 0.014 4.247 4.340 -0.178 0.000 0.198 96 R C 0.471 176.752 176.300 -0.032 0.000 0.988 96 R CA 0.573 56.603 56.100 -0.117 0.000 1.041 96 R CB -0.908 29.269 30.300 -0.205 0.000 0.926 96 R HN 0.367 nan 8.270 nan 0.000 0.476 97 T N 1.301 115.864 114.554 0.015 0.000 2.762 97 T HA 0.290 4.533 4.350 -0.178 0.000 0.303 97 T C 0.867 175.591 174.700 0.040 0.000 0.977 97 T CA -0.536 61.621 62.100 0.095 0.000 0.961 97 T CB 1.094 70.106 68.868 0.240 0.000 0.944 97 T HN 0.136 nan 8.240 nan 0.000 0.481 98 L N 2.425 123.633 121.223 -0.026 0.000 2.270 98 L HA 0.176 4.409 4.340 -0.178 0.000 0.210 98 L C 2.036 178.796 176.870 -0.184 0.000 1.104 98 L CA 0.657 55.455 54.840 -0.070 0.000 0.804 98 L CB -0.912 41.100 42.059 -0.079 0.000 0.937 98 L HN 0.944 nan 8.230 nan 0.000 0.450 99 G N 1.058 109.621 108.800 -0.396 0.000 2.583 99 G HA2 -0.450 3.403 3.960 -0.178 0.000 0.292 99 G HA3 -0.450 3.403 3.960 -0.178 0.000 0.292 99 G C 0.949 175.396 174.900 -0.755 0.000 1.203 99 G CA 0.825 45.343 45.100 -0.970 0.000 0.987 99 G HN 0.416 nan 8.290 nan 0.000 0.554 100 S N 0.589 115.915 115.700 -0.624 0.000 2.500 100 S HA 0.275 4.638 4.470 -0.178 0.000 0.239 100 S C 2.413 176.812 174.600 -0.335 0.000 0.989 100 S CA 1.612 59.464 58.200 -0.580 0.000 0.951 100 S CB -0.278 62.464 63.200 -0.763 0.000 0.759 100 S HN 2.033 nan 8.310 nan 0.000 0.523 101 A N 2.227 124.912 122.820 -0.224 0.000 2.168 101 A HA 0.054 4.267 4.320 -0.178 0.000 0.215 101 A C 2.035 179.545 177.584 -0.125 0.000 1.152 101 A CA 0.796 52.763 52.037 -0.118 0.000 0.716 101 A CB -0.547 18.426 19.000 -0.046 0.000 0.794 101 A HN 0.565 nan 8.150 nan 0.000 0.465 102 N N 0.108 118.697 118.700 -0.185 0.000 2.381 102 N HA -0.008 4.625 4.740 -0.178 0.000 0.182 102 N C 0.416 175.846 175.510 -0.133 0.000 1.025 102 N CA 0.456 53.414 53.050 -0.153 0.000 0.888 102 N CB -0.254 38.122 38.487 -0.186 0.000 0.965 102 N HN 0.469 nan 8.380 nan 0.000 0.438 103 L N 2.572 123.699 121.223 -0.159 0.000 2.439 103 L HA 0.170 4.404 4.340 -0.178 0.000 0.269 103 L C -1.789 175.038 176.870 -0.071 0.000 1.179 103 L CA -1.493 53.275 54.840 -0.119 0.000 0.828 103 L CB 0.060 42.033 42.059 -0.144 0.000 1.106 103 L HN -0.053 nan 8.230 nan 0.000 0.467 104 P HA -0.064 nan 4.420 nan 0.000 0.272 104 P C 0.762 178.054 177.300 -0.013 0.000 1.240 104 P CA -0.435 62.649 63.100 -0.026 0.000 0.791 104 P CB 0.883 32.571 31.700 -0.020 0.000 0.978 105 L N 1.606 122.828 121.223 -0.002 0.000 2.021 105 L HA -0.271 3.962 4.340 -0.178 0.000 0.215 105 L C 2.130 179.013 176.870 0.021 0.000 1.074 105 L CA 3.049 57.896 54.840 0.012 0.000 0.760 105 L CB -1.646 40.422 42.059 0.015 0.000 0.889 105 L HN 0.442 nan 8.230 nan 0.000 0.433 106 A N -0.159 122.672 122.820 0.018 0.000 1.908 106 A HA -0.245 3.968 4.320 -0.178 0.000 0.218 106 A C 2.267 179.872 177.584 0.035 0.000 1.181 106 A CA 1.929 53.981 52.037 0.025 0.000 0.627 106 A CB -0.426 18.585 19.000 0.018 0.000 0.818 106 A HN 0.538 nan 8.150 nan 0.000 0.445 107 K N -0.868 119.549 120.400 0.027 0.000 2.217 107 K HA -0.021 4.192 4.320 -0.178 0.000 0.202 107 K C 2.254 178.895 176.600 0.068 0.000 1.051 107 K CA 0.801 57.112 56.287 0.039 0.000 0.952 107 K CB -0.106 32.399 32.500 0.009 0.000 0.736 107 K HN 0.385 nan 8.250 nan 0.000 0.453 108 R N 1.038 121.564 120.500 0.043 0.000 2.073 108 R HA -0.147 4.086 4.340 -0.178 0.000 0.234 108 R C 2.315 178.694 176.300 0.133 0.000 1.134 108 R CA 1.551 57.691 56.100 0.067 0.000 0.952 108 R CB -0.140 30.179 30.300 0.032 0.000 0.850 108 R HN 0.285 nan 8.270 nan 0.000 0.433 109 Q N 0.134 119.990 119.800 0.094 0.000 2.124 109 Q HA -0.222 4.011 4.340 -0.178 0.000 0.202 109 Q C 2.186 178.248 176.000 0.103 0.000 0.977 109 Q CA 1.377 57.234 55.803 0.090 0.000 0.850 109 Q CB -0.053 28.722 28.738 0.062 0.000 0.901 109 Q HN 0.396 nan 8.270 nan 0.000 0.429 110 Q N -0.202 119.663 119.800 0.108 0.000 2.079 110 Q HA -0.223 4.010 4.340 -0.178 0.000 0.200 110 Q C 1.861 177.953 176.000 0.154 0.000 0.974 110 Q CA 1.285 57.153 55.803 0.109 0.000 0.840 110 Q CB -0.114 28.680 28.738 0.094 0.000 0.898 110 Q HN 0.416 nan 8.270 nan 0.000 0.430 111 Y N 1.564 121.906 120.300 0.069 0.000 2.097 111 Y HA -0.285 4.157 4.550 -0.180 0.000 0.282 111 Y C 1.935 177.904 175.900 0.115 0.000 1.152 111 Y CA 2.184 60.352 58.100 0.114 0.000 1.136 111 Y CB -0.269 38.248 38.460 0.096 0.000 0.975 111 Y HN 0.252 nan 8.280 nan 0.000 0.498 112 N N 0.382 119.217 118.700 0.225 0.000 2.104 112 N HA -0.193 4.441 4.740 -0.178 0.000 0.190 112 N C 1.949 177.469 175.510 0.016 0.000 1.024 112 N CA 1.547 54.663 53.050 0.109 0.000 0.853 112 N CB -0.875 37.692 38.487 0.134 0.000 1.008 112 N HN 0.529 nan 8.380 nan 0.000 0.424 113 A N 1.151 123.993 122.820 0.036 0.000 1.898 113 A HA -0.013 4.200 4.320 -0.178 0.000 0.216 113 A C 2.413 179.996 177.584 -0.003 0.000 1.181 113 A CA 0.781 52.828 52.037 0.017 0.000 0.620 113 A CB -0.717 18.305 19.000 0.036 0.000 0.819 113 A HN 0.197 nan 8.150 nan 0.000 0.442 114 L N -0.514 120.706 121.223 -0.004 0.000 2.042 114 L HA -0.211 4.022 4.340 -0.178 0.000 0.210 114 L C 2.577 179.399 176.870 -0.080 0.000 1.076 114 L CA 1.187 56.018 54.840 -0.016 0.000 0.749 114 L CB -0.520 41.552 42.059 0.021 0.000 0.893 114 L HN 0.393 nan 8.230 nan 0.000 0.432 115 L N -1.391 119.738 121.223 -0.157 0.000 2.046 115 L HA -0.221 4.012 4.340 -0.178 0.000 0.208 115 L C 2.749 179.546 176.870 -0.123 0.000 1.077 115 L CA 1.110 55.832 54.840 -0.198 0.000 0.747 115 L CB -0.569 41.353 42.059 -0.227 0.000 0.896 115 L HN 0.188 nan 8.230 nan 0.000 0.432 116 S N -0.596 115.046 115.700 -0.097 0.000 2.353 116 S HA -0.255 4.108 4.470 -0.178 0.000 0.222 116 S C 1.965 176.559 174.600 -0.011 0.000 1.035 116 S CA 1.482 59.627 58.200 -0.092 0.000 1.025 116 S CB -0.171 62.979 63.200 -0.084 0.000 0.902 116 S HN 0.442 nan 8.310 nan 0.000 0.440 117 Q N 0.112 119.913 119.800 0.002 0.000 2.079 117 Q HA -0.011 4.222 4.340 -0.178 0.000 0.200 117 Q C 2.306 178.332 176.000 0.043 0.000 0.974 117 Q CA 1.235 57.059 55.803 0.034 0.000 0.840 117 Q CB -0.233 28.524 28.738 0.032 0.000 0.898 117 Q HN 0.531 nan 8.270 nan 0.000 0.430 118 M N -0.149 119.461 119.600 0.017 0.000 2.117 118 M HA -0.168 4.205 4.480 -0.178 0.000 0.262 118 M C 2.457 178.780 176.300 0.039 0.000 1.065 118 M CA 1.118 56.434 55.300 0.025 0.000 1.114 118 M CB -0.332 32.256 32.600 -0.020 0.000 1.361 118 M HN 0.154 nan 8.290 nan 0.000 0.408 119 S N 0.353 116.065 115.700 0.020 0.000 2.356 119 S HA -0.182 4.181 4.470 -0.178 0.000 0.223 119 S C 2.030 176.742 174.600 0.186 0.000 1.032 119 S CA 1.426 59.675 58.200 0.081 0.000 1.005 119 S CB -0.241 63.011 63.200 0.087 0.000 0.867 119 S HN 0.407 nan 8.310 nan 0.000 0.449 120 R N 0.208 120.812 120.500 0.173 0.000 2.081 120 R HA -0.042 4.191 4.340 -0.178 0.000 0.235 120 R C 2.302 178.681 176.300 0.133 0.000 1.131 120 R CA 1.818 58.017 56.100 0.165 0.000 0.960 120 R CB -0.492 29.895 30.300 0.146 0.000 0.856 120 R HN 0.522 nan 8.270 nan 0.000 0.436 121 I N -0.243 120.393 120.570 0.110 0.000 2.179 121 I HA -0.319 3.744 4.170 -0.178 0.000 0.242 121 I C 2.258 178.426 176.117 0.085 0.000 1.088 121 I CA 1.455 62.799 61.300 0.074 0.000 1.357 121 I CB -0.471 37.560 38.000 0.052 0.000 1.051 121 I HN 0.239 nan 8.210 nan 0.000 0.409 122 Y N 1.163 121.485 120.300 0.036 0.000 2.128 122 Y HA -0.282 4.161 4.550 -0.178 0.000 0.284 122 Y C 2.674 178.731 175.900 0.262 0.000 1.154 122 Y CA 2.033 60.195 58.100 0.102 0.000 1.149 122 Y CB -0.111 38.402 38.460 0.087 0.000 0.976 122 Y HN 0.019 nan 8.280 nan 0.000 0.505 123 S N -1.360 114.549 115.700 0.348 0.000 2.527 123 S HA -0.059 4.305 4.470 -0.178 0.000 0.222 123 S C 1.592 176.293 174.600 0.168 0.000 0.985 123 S CA 1.097 59.476 58.200 0.298 0.000 0.921 123 S CB -0.299 63.096 63.200 0.325 0.000 0.772 123 S HN 0.728 nan 8.310 nan 0.000 0.529 124 T N -0.972 113.659 114.554 0.128 0.000 3.044 124 T HA 0.518 4.761 4.350 -0.178 0.000 0.260 124 T C 0.562 175.311 174.700 0.081 0.000 1.019 124 T CA 0.073 62.228 62.100 0.090 0.000 0.921 124 T CB 0.085 68.992 68.868 0.066 0.000 1.053 124 T HN 0.194 nan 8.240 nan 0.000 0.533 125 A N 2.317 125.179 122.820 0.070 0.000 2.511 125 A HA 0.526 4.739 4.320 -0.178 0.000 0.242 125 A C 0.210 177.894 177.584 0.167 0.000 1.069 125 A CA -0.061 51.986 52.037 0.017 0.000 0.763 125 A CB 0.222 19.066 19.000 -0.260 0.000 1.001 125 A HN 0.350 nan 8.150 nan 0.000 0.498 126 K N 1.286 121.750 120.400 0.107 0.000 2.395 126 K HA 0.587 4.800 4.320 -0.178 0.000 0.247 126 K C -1.380 175.296 176.600 0.126 0.000 0.973 126 K CA -0.746 55.635 56.287 0.155 0.000 0.828 126 K CB 2.163 34.725 32.500 0.104 0.000 1.272 126 K HN 0.342 nan 8.250 nan 0.000 0.439 127 V N 1.775 121.798 119.914 0.180 0.000 2.347 127 V HA 0.277 4.290 4.120 -0.178 0.000 0.280 127 V C -0.238 175.889 176.094 0.055 0.000 1.021 127 V CA -0.692 61.679 62.300 0.117 0.000 0.847 127 V CB 1.093 33.036 31.823 0.199 0.000 0.990 127 V HN 0.773 nan 8.190 nan 0.000 0.444 128 c N 5.259 123.858 118.600 -0.001 0.000 2.470 128 c HA 0.675 5.138 4.570 -0.178 0.000 0.341 128 c C 0.122 174.230 174.090 0.031 0.000 1.190 128 c CA -0.987 55.314 56.329 -0.048 0.000 1.904 128 c CB 1.304 43.792 42.510 -0.036 0.000 2.354 128 c HN 0.656 nan 8.230 nan 0.000 0.509 129 L N 3.692 124.871 121.223 -0.073 0.000 2.439 129 L HA 0.239 4.472 4.340 -0.178 0.000 0.269 129 L C -0.710 176.160 176.870 0.000 0.000 1.179 129 L CA -0.625 54.186 54.840 -0.048 0.000 0.828 129 L CB 0.153 42.081 42.059 -0.218 0.000 1.106 129 L HN 0.546 nan 8.230 nan 0.000 0.467 130 P HA -0.227 nan 4.420 nan 0.000 0.215 130 P C 0.765 178.055 177.300 -0.017 0.000 1.157 130 P CA 2.232 65.344 63.100 0.020 0.000 0.874 130 P CB 0.299 31.998 31.700 -0.002 0.000 0.790 131 Q N -0.197 119.579 119.800 -0.041 0.000 2.622 131 Q HA 0.295 4.528 4.340 -0.178 0.000 0.208 131 Q C 1.870 177.842 176.000 -0.047 0.000 0.911 131 Q CA 1.029 56.809 55.803 -0.039 0.000 0.893 131 Q CB -0.999 27.715 28.738 -0.040 0.000 1.124 131 Q HN 0.334 nan 8.270 nan 0.000 0.634 132 K N 2.334 122.696 120.400 -0.064 0.000 2.054 132 K HA 0.363 4.576 4.320 -0.178 0.000 0.242 132 K C 0.336 176.887 176.600 -0.082 0.000 1.157 132 K CA 0.377 56.624 56.287 -0.067 0.000 1.079 132 K CB -1.421 31.035 32.500 -0.074 0.000 1.331 132 K HN 0.491 nan 8.250 nan 0.000 0.317 133 T N 1.306 115.822 114.554 -0.064 0.000 3.792 133 T HA 0.334 4.577 4.350 -0.178 0.000 0.233 133 T C 0.525 175.183 174.700 -0.069 0.000 0.860 133 T CA 0.424 62.483 62.100 -0.067 0.000 0.915 133 T CB -0.578 68.264 68.868 -0.043 0.000 1.216 133 T HN 0.689 nan 8.240 nan 0.000 0.664 134 A N 1.530 124.298 122.820 -0.086 0.000 2.269 134 A HA 0.643 4.856 4.320 -0.178 0.000 0.302 134 A C 1.113 178.645 177.584 -0.087 0.000 1.266 134 A CA -0.112 51.884 52.037 -0.068 0.000 0.894 134 A CB -0.802 18.165 19.000 -0.055 0.000 1.147 134 A HN 0.976 nan 8.150 nan 0.000 0.537 135 T N 1.158 115.683 114.554 -0.048 0.000 2.964 135 T HA -0.108 4.135 4.350 -0.178 0.000 0.458 135 T C 0.535 175.199 174.700 -0.060 0.000 0.776 135 T CA 0.666 62.752 62.100 -0.023 0.000 2.376 135 T CB -2.560 66.321 68.868 0.021 0.000 1.655 135 T HN 1.168 nan 8.240 nan 0.000 0.574 136 c N 3.150 121.720 118.600 -0.050 0.000 2.702 136 c HA 0.364 4.827 4.570 -0.178 0.000 0.411 136 c C 1.180 175.329 174.090 0.098 0.000 1.286 136 c CA -0.742 55.552 56.329 -0.059 0.000 1.979 136 c CB -0.281 42.228 42.510 -0.002 0.000 2.728 136 c HN 0.711 nan 8.230 nan 0.000 0.652 137 W N 2.003 123.349 121.300 0.078 0.000 2.351 137 W HA 0.462 5.015 4.660 -0.179 0.000 0.311 137 W C 0.568 177.118 176.519 0.052 0.000 1.168 137 W CA -0.581 56.802 57.345 0.063 0.000 1.200 137 W CB 0.578 30.088 29.460 0.084 0.000 1.221 137 W HN 0.811 nan 8.180 nan 0.000 0.519 138 S N 1.937 117.782 115.700 0.241 0.000 2.687 138 S HA 0.315 4.678 4.470 -0.178 0.000 0.283 138 S C 0.708 175.288 174.600 -0.033 0.000 1.170 138 S CA -0.758 57.509 58.200 0.113 0.000 1.008 138 S CB 1.666 64.912 63.200 0.076 0.000 1.026 138 S HN 0.391 nan 8.310 nan 0.000 0.541 139 L N 0.506 121.602 121.223 -0.212 0.000 2.012 139 L HA 0.151 4.384 4.340 -0.178 0.000 0.210 139 L C 0.260 176.960 176.870 -0.283 0.000 1.073 139 L CA 2.106 56.636 54.840 -0.517 0.000 0.748 139 L CB -0.484 41.008 42.059 -0.945 0.000 0.891 139 L HN 0.885 nan 8.230 nan 0.000 0.431 140 D N -1.619 118.690 120.400 -0.152 0.000 2.549 140 D HA 0.298 4.831 4.640 -0.178 0.000 0.251 140 D C -2.102 174.173 176.300 -0.041 0.000 1.153 140 D CA -2.069 51.880 54.000 -0.085 0.000 0.861 140 D CB 1.959 42.732 40.800 -0.044 0.000 1.207 140 D HN 0.039 nan 8.370 nan 0.000 0.543 141 P HA 0.116 nan 4.420 nan 0.000 0.245 141 P C 0.497 177.727 177.300 -0.118 0.000 1.199 141 P CA 0.100 63.162 63.100 -0.063 0.000 0.807 141 P CB 1.035 32.715 31.700 -0.034 0.000 1.002 142 D N 0.954 121.278 120.400 -0.126 0.000 2.087 142 D HA -0.116 4.417 4.640 -0.178 0.000 0.192 142 D C 2.156 178.243 176.300 -0.355 0.000 0.993 142 D CA 1.232 55.084 54.000 -0.248 0.000 0.828 142 D CB -0.707 39.985 40.800 -0.179 0.000 0.968 142 D HN 0.198 nan 8.370 nan 0.000 0.448 143 L N 0.701 121.758 121.223 -0.277 0.000 2.109 143 L HA -0.105 4.128 4.340 -0.178 0.000 0.207 143 L C 2.628 179.334 176.870 -0.273 0.000 1.086 143 L CA 0.996 55.667 54.840 -0.283 0.000 0.760 143 L CB -0.693 41.208 42.059 -0.264 0.000 0.910 143 L HN 0.007 nan 8.230 nan 0.000 0.437 144 T N -0.209 114.194 114.554 -0.252 0.000 2.652 144 T HA -0.174 4.069 4.350 -0.178 0.000 0.267 144 T C 1.730 176.343 174.700 -0.146 0.000 1.039 144 T CA 1.682 63.670 62.100 -0.186 0.000 1.153 144 T CB -0.292 68.501 68.868 -0.124 0.000 0.863 144 T HN 0.288 nan 8.240 nan 0.000 0.428 145 N N 0.995 119.604 118.700 -0.151 0.000 2.120 145 N HA 0.020 4.653 4.740 -0.178 0.000 0.188 145 N C 1.890 177.310 175.510 -0.149 0.000 1.024 145 N CA 0.864 53.835 53.050 -0.131 0.000 0.852 145 N CB -0.478 37.931 38.487 -0.130 0.000 1.003 145 N HN 0.401 nan 8.380 nan 0.000 0.424 146 I N 0.480 120.920 120.570 -0.217 0.000 2.142 146 I HA -0.248 3.815 4.170 -0.178 0.000 0.240 146 I C 1.872 177.915 176.117 -0.123 0.000 1.078 146 I CA 0.902 62.079 61.300 -0.204 0.000 1.343 146 I CB -0.207 37.610 38.000 -0.304 0.000 1.046 146 I HN 0.029 nan 8.210 nan 0.000 0.405 147 L N 0.412 121.562 121.223 -0.121 0.000 2.191 147 L HA -0.160 4.073 4.340 -0.178 0.000 0.212 147 L C 2.584 179.414 176.870 -0.067 0.000 1.103 147 L CA 1.512 56.299 54.840 -0.088 0.000 0.769 147 L CB -0.601 41.396 42.059 -0.103 0.000 0.908 147 L HN 0.213 nan 8.230 nan 0.000 0.438 148 A N -1.199 121.583 122.820 -0.063 0.000 1.930 148 A HA -0.124 4.089 4.320 -0.178 0.000 0.215 148 A C 2.387 179.959 177.584 -0.021 0.000 1.176 148 A CA 1.764 53.784 52.037 -0.029 0.000 0.632 148 A CB -0.350 18.636 19.000 -0.024 0.000 0.819 148 A HN 0.473 nan 8.150 nan 0.000 0.445 149 S N -2.294 113.384 115.700 -0.036 0.000 2.554 149 S HA 0.209 4.572 4.470 -0.178 0.000 0.227 149 S C 0.852 175.438 174.600 -0.023 0.000 1.050 149 S CA 0.571 58.756 58.200 -0.025 0.000 0.927 149 S CB -0.506 62.677 63.200 -0.029 0.000 0.859 149 S HN 0.344 nan 8.310 nan 0.000 0.494 150 S N 1.325 117.005 115.700 -0.033 0.000 2.531 150 S HA 0.428 4.791 4.470 -0.178 0.000 0.279 150 S C 0.402 175.010 174.600 0.012 0.000 1.305 150 S CA -0.411 57.781 58.200 -0.014 0.000 1.058 150 S CB 0.414 63.602 63.200 -0.020 0.000 0.899 150 S HN 0.296 nan 8.310 nan 0.000 0.493 151 R N 2.417 122.939 120.500 0.037 0.000 2.586 151 R HA 0.275 4.508 4.340 -0.178 0.000 0.336 151 R C -0.012 176.387 176.300 0.164 0.000 1.060 151 R CA -0.086 56.066 56.100 0.087 0.000 1.079 151 R CB 0.204 30.503 30.300 -0.002 0.000 1.317 151 R HN 0.482 nan 8.270 nan 0.000 0.568 152 S N -0.141 115.635 115.700 0.127 0.000 2.422 152 S HA 0.089 4.452 4.470 -0.178 0.000 0.298 152 S C 0.928 175.610 174.600 0.136 0.000 1.118 152 S CA -0.610 57.679 58.200 0.149 0.000 1.083 152 S CB 0.364 63.624 63.200 0.100 0.000 0.971 152 S HN 0.403 nan 8.310 nan 0.000 0.478 153 Y N 5.292 125.611 120.300 0.032 0.000 2.081 153 Y HA -0.196 4.246 4.550 -0.179 0.000 0.280 153 Y C 2.292 178.132 175.900 -0.099 0.000 1.163 153 Y CA 2.497 60.476 58.100 -0.201 0.000 1.135 153 Y CB -0.548 37.646 38.460 -0.444 0.000 0.970 153 Y HN 0.845 nan 8.280 nan 0.000 0.498 154 A N -0.293 122.636 122.820 0.182 0.000 1.933 154 A HA -0.232 3.981 4.320 -0.178 0.000 0.218 154 A C 2.215 179.945 177.584 0.244 0.000 1.175 154 A CA 1.941 54.102 52.037 0.206 0.000 0.628 154 A CB -0.845 18.309 19.000 0.257 0.000 0.814 154 A HN 0.634 nan 8.150 nan 0.000 0.444 155 M N -0.147 119.566 119.600 0.187 0.000 2.132 155 M HA 0.001 4.374 4.480 -0.178 0.000 0.263 155 M C 1.816 178.250 176.300 0.225 0.000 1.065 155 M CA 1.560 56.991 55.300 0.218 0.000 1.122 155 M CB -0.657 32.026 32.600 0.138 0.000 1.365 155 M HN 0.333 nan 8.290 nan 0.000 0.411 156 L N -0.599 120.683 121.223 0.098 0.000 2.046 156 L HA -0.204 4.029 4.340 -0.178 0.000 0.208 156 L C 2.382 179.351 176.870 0.165 0.000 1.077 156 L CA 0.827 55.711 54.840 0.073 0.000 0.747 156 L CB -1.072 40.929 42.059 -0.097 0.000 0.896 156 L HN 0.383 nan 8.230 nan 0.000 0.432 157 L N -0.523 120.746 121.223 0.076 0.000 2.017 157 L HA -0.241 3.992 4.340 -0.178 0.000 0.208 157 L C 2.368 179.367 176.870 0.214 0.000 1.073 157 L CA 1.714 56.482 54.840 -0.119 0.000 0.745 157 L CB -0.732 41.050 42.059 -0.461 0.000 0.894 157 L HN 0.125 nan 8.230 nan 0.000 0.432 158 F N 0.239 120.361 119.950 0.286 0.000 2.126 158 F HA -0.224 4.197 4.527 -0.177 0.000 0.299 158 F C 2.242 178.230 175.800 0.313 0.000 1.096 158 F CA 1.770 59.994 58.000 0.374 0.000 1.255 158 F CB -0.531 38.673 39.000 0.340 0.000 0.997 158 F HN 0.168 nan 8.300 nan 0.000 0.479 159 A N -0.546 122.495 122.820 0.368 0.000 1.873 159 A HA -0.215 3.998 4.320 -0.178 0.000 0.215 159 A C 2.104 179.803 177.584 0.191 0.000 1.186 159 A CA 1.396 53.577 52.037 0.240 0.000 0.616 159 A CB -1.812 17.294 19.000 0.178 0.000 0.823 159 A HN 0.719 nan 8.150 nan 0.000 0.442 160 W N 0.671 121.998 121.300 0.045 0.000 2.333 160 W HA -0.200 4.350 4.660 -0.183 0.000 0.316 160 W C 2.244 178.837 176.519 0.125 0.000 1.215 160 W CA 2.133 59.521 57.345 0.072 0.000 1.278 160 W CB -0.056 29.370 29.460 -0.055 0.000 1.154 160 W HN 0.501 nan 8.180 nan 0.000 0.486 161 E N -0.597 119.827 120.200 0.374 0.000 2.072 161 E HA -0.125 4.118 4.350 -0.178 0.000 0.191 161 E C 2.372 178.965 176.600 -0.012 0.000 0.985 161 E CA 1.491 58.017 56.400 0.210 0.000 0.801 161 E CB -0.814 29.026 29.700 0.234 0.000 0.750 161 E HN 0.315 nan 8.360 nan 0.000 0.452 162 G N 1.551 110.288 108.800 -0.104 0.000 2.476 162 G HA2 -0.310 3.543 3.960 -0.178 0.000 0.218 162 G HA3 -0.310 3.543 3.960 -0.178 0.000 0.218 162 G C 1.349 176.202 174.900 -0.079 0.000 1.164 162 G CA 0.831 45.809 45.100 -0.202 0.000 0.768 162 G HN 0.523 nan 8.290 nan 0.000 0.560 163 W N 0.798 121.979 121.300 -0.198 0.000 2.379 163 W HA -0.113 4.439 4.660 -0.180 0.000 0.307 163 W C 2.398 178.723 176.519 -0.322 0.000 1.200 163 W CA 1.561 58.751 57.345 -0.258 0.000 1.297 163 W CB -0.330 28.932 29.460 -0.329 0.000 1.140 163 W HN 0.412 nan 8.180 nan 0.000 0.507 164 H N 0.446 119.204 119.070 -0.520 0.000 2.387 164 H HA -0.159 4.289 4.556 -0.180 0.000 0.299 164 H C 1.972 177.043 175.328 -0.427 0.000 1.090 164 H CA 2.367 58.052 56.048 -0.605 0.000 1.332 164 H CB -0.471 28.828 29.762 -0.771 0.000 1.386 164 H HN 0.079 nan 8.280 nan 0.000 0.516 165 N N 0.096 118.685 118.700 -0.185 0.000 2.106 165 N HA -0.081 4.552 4.740 -0.178 0.000 0.188 165 N C 2.014 177.415 175.510 -0.181 0.000 1.029 165 N CA 1.218 54.216 53.050 -0.086 0.000 0.848 165 N CB -0.536 37.940 38.487 -0.019 0.000 1.007 165 N HN 0.398 nan 8.380 nan 0.000 0.423 166 A N 0.575 123.219 122.820 -0.293 0.000 1.898 166 A HA 0.091 4.304 4.320 -0.178 0.000 0.216 166 A C 2.266 179.585 177.584 -0.441 0.000 1.181 166 A CA 1.966 53.816 52.037 -0.311 0.000 0.620 166 A CB -0.725 18.108 19.000 -0.278 0.000 0.819 166 A HN 0.331 nan 8.150 nan 0.000 0.442 167 A N -0.775 121.574 122.820 -0.785 0.000 1.861 167 A HA 0.318 4.532 4.320 -0.178 0.000 0.212 167 A C 2.400 179.753 177.584 -0.386 0.000 1.199 167 A CA 1.533 53.116 52.037 -0.757 0.000 0.613 167 A CB -1.365 16.828 19.000 -1.345 0.000 0.846 167 A HN 0.636 nan 8.150 nan 0.000 0.446 168 G N 0.385 108.959 108.800 -0.377 0.000 2.453 168 G HA2 -0.195 3.658 3.960 -0.178 0.000 0.215 168 G HA3 -0.195 3.658 3.960 -0.178 0.000 0.215 168 G C 1.534 176.475 174.900 0.069 0.000 1.201 168 G CA 1.207 46.200 45.100 -0.177 0.000 0.784 168 G HN 0.418 nan 8.290 nan 0.000 0.545 169 I N 2.024 122.619 120.570 0.040 0.000 2.087 169 I HA -0.176 3.888 4.170 -0.178 0.000 0.240 169 I C 0.127 176.284 176.117 0.066 0.000 1.054 169 I CA 1.673 63.017 61.300 0.074 0.000 1.311 169 I CB -0.905 37.115 38.000 0.033 0.000 1.024 169 I HN 0.232 nan 8.210 nan 0.000 0.402 170 P HA -0.097 nan 4.420 nan 0.000 0.226 170 P C 1.811 179.158 177.300 0.078 0.000 1.153 170 P CA 1.303 64.423 63.100 0.034 0.000 0.777 170 P CB 0.024 31.726 31.700 0.002 0.000 0.794 171 L N -0.343 120.962 121.223 0.138 0.000 2.240 171 L HA -0.031 4.203 4.340 -0.178 0.000 0.211 171 L C 2.820 179.840 176.870 0.249 0.000 1.106 171 L CA 1.024 56.000 54.840 0.226 0.000 0.793 171 L CB -0.628 41.600 42.059 0.282 0.000 0.927 171 L HN -0.058 nan 8.230 nan 0.000 0.446 172 K N 0.684 121.193 120.400 0.181 0.000 2.020 172 K HA -0.201 4.012 4.320 -0.178 0.000 0.212 172 K C -0.492 176.091 176.600 -0.029 0.000 1.050 172 K CA 1.818 58.024 56.287 -0.135 0.000 0.929 172 K CB -0.812 31.601 32.500 -0.146 0.000 0.714 172 K HN 0.127 nan 8.250 nan 0.000 0.443 173 P HA -0.170 nan 4.420 nan 0.000 0.216 173 P C 1.156 178.492 177.300 0.059 0.000 1.153 173 P CA 1.322 64.431 63.100 0.015 0.000 0.858 173 P CB -0.008 31.701 31.700 0.015 0.000 0.789 174 L N -2.976 118.304 121.223 0.096 0.000 2.056 174 L HA -0.171 4.062 4.340 -0.178 0.000 0.207 174 L C 2.566 179.545 176.870 0.182 0.000 1.078 174 L CA 1.449 56.361 54.840 0.120 0.000 0.749 174 L CB -1.106 41.020 42.059 0.113 0.000 0.901 174 L HN -0.050 nan 8.230 nan 0.000 0.433 175 Y N 1.343 121.711 120.300 0.113 0.000 2.224 175 Y HA -0.251 4.190 4.550 -0.182 0.000 0.289 175 Y C 2.514 178.555 175.900 0.236 0.000 1.146 175 Y CA 1.620 59.836 58.100 0.194 0.000 1.182 175 Y CB -0.072 38.480 38.460 0.153 0.000 0.983 175 Y HN 0.211 nan 8.280 nan 0.000 0.524 176 E N -0.338 119.995 120.200 0.221 0.000 2.058 176 E HA -0.234 4.009 4.350 -0.178 0.000 0.194 176 E C 1.684 178.307 176.600 0.038 0.000 0.997 176 E CA 1.447 57.922 56.400 0.125 0.000 0.801 176 E CB -0.179 29.531 29.700 0.017 0.000 0.746 176 E HN 0.511 nan 8.360 nan 0.000 0.450 177 D N 0.315 120.746 120.400 0.052 0.000 2.117 177 D HA -0.150 4.383 4.640 -0.178 0.000 0.198 177 D C 1.665 177.993 176.300 0.048 0.000 0.982 177 D CA 0.691 54.717 54.000 0.044 0.000 0.828 177 D CB -0.411 40.426 40.800 0.062 0.000 0.967 177 D HN 0.112 nan 8.370 nan 0.000 0.464 178 F N 1.805 121.712 119.950 -0.072 0.000 2.069 178 F HA -0.245 4.173 4.527 -0.181 0.000 0.298 178 F C 2.229 178.007 175.800 -0.037 0.000 1.113 178 F CA 1.701 59.649 58.000 -0.087 0.000 1.214 178 F CB -0.767 38.106 39.000 -0.211 0.000 0.978 178 F HN -0.152 nan 8.300 nan 0.000 0.474 179 T N 1.027 115.300 114.554 -0.468 0.000 2.665 179 T HA -0.251 3.993 4.350 -0.178 0.000 0.268 179 T C 2.212 176.771 174.700 -0.234 0.000 1.035 179 T CA 1.878 63.716 62.100 -0.438 0.000 1.151 179 T CB -1.005 67.706 68.868 -0.262 0.000 0.862 179 T HN 0.445 nan 8.240 nan 0.000 0.438 180 A N 0.903 123.643 122.820 -0.134 0.000 1.902 180 A HA 0.001 4.215 4.320 -0.178 0.000 0.217 180 A C 2.337 179.874 177.584 -0.078 0.000 1.181 180 A CA 1.273 53.267 52.037 -0.073 0.000 0.623 180 A CB -0.813 18.164 19.000 -0.038 0.000 0.818 180 A HN 0.484 nan 8.150 nan 0.000 0.443 181 L N -0.993 120.185 121.223 -0.076 0.000 2.056 181 L HA -0.130 4.103 4.340 -0.178 0.000 0.207 181 L C 2.930 179.747 176.870 -0.089 0.000 1.078 181 L CA 1.421 56.245 54.840 -0.027 0.000 0.749 181 L CB -0.444 41.692 42.059 0.128 0.000 0.901 181 L HN 0.499 nan 8.230 nan 0.000 0.433 182 S N 0.109 115.713 115.700 -0.160 0.000 2.368 182 S HA -0.189 4.174 4.470 -0.178 0.000 0.225 182 S C 1.869 176.417 174.600 -0.087 0.000 1.030 182 S CA 1.626 59.745 58.200 -0.136 0.000 0.999 182 S CB -0.194 62.779 63.200 -0.378 0.000 0.844 182 S HN 0.409 nan 8.310 nan 0.000 0.459 183 N N 1.588 120.230 118.700 -0.097 0.000 2.120 183 N HA -0.129 4.504 4.740 -0.178 0.000 0.188 183 N C 1.759 177.244 175.510 -0.043 0.000 1.024 183 N CA 1.748 54.767 53.050 -0.052 0.000 0.852 183 N CB -0.551 37.924 38.487 -0.019 0.000 1.003 183 N HN 0.841 nan 8.380 nan 0.000 0.424 184 E N 0.177 120.338 120.200 -0.065 0.000 2.208 184 E HA 0.011 4.255 4.350 -0.178 0.000 0.193 184 E C 1.854 178.389 176.600 -0.108 0.000 0.988 184 E CA 1.059 57.418 56.400 -0.068 0.000 0.828 184 E CB -0.156 29.508 29.700 -0.061 0.000 0.763 184 E HN 0.229 nan 8.360 nan 0.000 0.478 185 A N 1.051 123.763 122.820 -0.181 0.000 1.845 185 A HA -0.149 4.064 4.320 -0.178 0.000 0.215 185 A C 1.881 179.268 177.584 -0.328 0.000 1.195 185 A CA 1.429 53.273 52.037 -0.322 0.000 0.616 185 A CB -1.064 17.623 19.000 -0.522 0.000 0.832 185 A HN 0.435 nan 8.150 nan 0.000 0.443 186 Y N -0.186 120.024 120.300 -0.151 0.000 2.457 186 Y HA -0.030 4.415 4.550 -0.176 0.000 0.292 186 Y C 2.340 178.265 175.900 0.040 0.000 1.125 186 Y CA 1.212 59.250 58.100 -0.103 0.000 1.254 186 Y CB 0.019 38.330 38.460 -0.249 0.000 1.012 186 Y HN 0.235 nan 8.280 nan 0.000 0.555 187 K N 0.185 120.648 120.400 0.105 0.000 2.147 187 K HA -0.218 3.995 4.320 -0.178 0.000 0.205 187 K C 1.699 178.317 176.600 0.030 0.000 1.049 187 K CA 1.409 57.739 56.287 0.071 0.000 0.936 187 K CB -0.131 32.381 32.500 0.020 0.000 0.722 187 K HN 0.475 nan 8.250 nan 0.000 0.446 188 Q N 0.292 120.088 119.800 -0.006 0.000 2.436 188 Q HA -0.093 4.140 4.340 -0.178 0.000 0.209 188 Q C 0.639 176.628 176.000 -0.018 0.000 0.965 188 Q CA 0.694 56.479 55.803 -0.030 0.000 0.910 188 Q CB 0.290 28.990 28.738 -0.063 0.000 0.980 188 Q HN 0.247 nan 8.270 nan 0.000 0.491 189 D N -0.924 119.498 120.400 0.036 0.000 2.340 189 D HA 0.072 4.606 4.640 -0.178 0.000 0.220 189 D C 0.988 177.214 176.300 -0.124 0.000 1.039 189 D CA 0.784 54.813 54.000 0.047 0.000 0.866 189 D CB 0.825 41.780 40.800 0.257 0.000 0.913 189 D HN 0.379 nan 8.370 nan 0.000 0.523 190 G N 0.484 109.213 108.800 -0.118 0.000 2.176 190 G HA2 -0.247 3.606 3.960 -0.178 0.000 0.232 190 G HA3 -0.247 3.606 3.960 -0.178 0.000 0.232 190 G C 0.097 174.815 174.900 -0.303 0.000 0.986 190 G CA -0.536 44.430 45.100 -0.224 0.000 0.643 190 G HN 0.241 nan 8.290 nan 0.000 0.522 191 F N 0.488 120.451 119.950 0.021 0.000 2.384 191 F HA 0.552 4.972 4.527 -0.180 0.000 0.338 191 F C 1.869 177.655 175.800 -0.023 0.000 1.103 191 F CA 0.504 58.506 58.000 0.003 0.000 1.157 191 F CB 1.540 40.546 39.000 0.010 0.000 1.167 191 F HN -0.008 nan 8.300 nan 0.000 0.529 192 T N 0.282 114.921 114.554 0.142 0.000 2.833 192 T HA -0.099 4.144 4.350 -0.178 0.000 0.269 192 T C -0.185 174.539 174.700 0.040 0.000 1.054 192 T CA 1.922 64.058 62.100 0.059 0.000 1.135 192 T CB -0.595 68.291 68.868 0.029 0.000 0.869 192 T HN 0.833 nan 8.240 nan 0.000 0.466 193 D N -2.911 117.502 120.400 0.022 0.000 2.725 193 D HA 0.273 4.806 4.640 -0.178 0.000 0.292 193 D C 0.648 176.784 176.300 -0.274 0.000 1.288 193 D CA -0.405 53.551 54.000 -0.073 0.000 0.784 193 D CB 0.248 41.023 40.800 -0.042 0.000 1.308 193 D HN -0.214 nan 8.370 nan 0.000 0.429 194 T N -0.648 113.569 114.554 -0.561 0.000 2.788 194 T HA 0.003 4.246 4.350 -0.178 0.000 0.268 194 T C 1.897 175.786 174.700 -1.352 0.000 1.044 194 T CA 1.675 63.092 62.100 -1.139 0.000 1.139 194 T CB -0.776 67.052 68.868 -1.734 0.000 0.867 194 T HN 0.622 nan 8.240 nan 0.000 0.454 195 G N 1.263 109.433 108.800 -1.049 0.000 2.440 195 G HA2 -0.117 3.736 3.960 -0.178 0.000 0.218 195 G HA3 -0.117 3.736 3.960 -0.178 0.000 0.218 195 G C 1.831 176.441 174.900 -0.483 0.000 1.154 195 G CA 0.960 45.760 45.100 -0.500 0.000 0.767 195 G HN 0.596 nan 8.290 nan 0.000 0.552 196 A N -0.074 122.516 122.820 -0.384 0.000 1.933 196 A HA -0.047 4.166 4.320 -0.178 0.000 0.218 196 A C 2.206 179.570 177.584 -0.365 0.000 1.175 196 A CA 1.782 53.662 52.037 -0.260 0.000 0.628 196 A CB -0.668 18.312 19.000 -0.033 0.000 0.814 196 A HN 0.508 nan 8.150 nan 0.000 0.444 197 Y N -0.701 119.086 120.300 -0.855 0.000 2.145 197 Y HA -0.245 4.197 4.550 -0.179 0.000 0.286 197 Y C 2.070 177.343 175.900 -1.045 0.000 1.145 197 Y CA 1.717 59.001 58.100 -1.359 0.000 1.148 197 Y CB -0.558 36.857 38.460 -1.743 0.000 0.981 197 Y HN 0.430 nan 8.280 nan 0.000 0.507 198 W N 0.959 121.430 121.300 -1.382 0.000 2.338 198 W HA -0.137 4.416 4.660 -0.178 0.000 0.304 198 W C 2.575 178.419 176.519 -1.126 0.000 1.212 198 W CA 1.754 58.078 57.345 -1.701 0.000 1.264 198 W CB -1.065 27.962 29.460 -0.721 0.000 1.142 198 W HN 0.072 nan 8.180 nan 0.000 0.512 199 R N 0.410 120.681 120.500 -0.382 0.000 2.148 199 R HA -0.112 4.121 4.340 -0.178 0.000 0.227 199 R C 2.259 178.423 176.300 -0.225 0.000 1.103 199 R CA 1.639 57.618 56.100 -0.201 0.000 0.983 199 R CB -0.770 29.380 30.300 -0.251 0.000 0.874 199 R HN 0.182 nan 8.270 nan 0.000 0.451 200 S N -0.135 115.364 115.700 -0.336 0.000 2.442 200 S HA -0.126 4.237 4.470 -0.178 0.000 0.236 200 S C 1.335 175.918 174.600 -0.029 0.000 1.007 200 S CA 0.407 58.532 58.200 -0.125 0.000 0.965 200 S CB -0.293 62.909 63.200 0.003 0.000 0.773 200 S HN 0.386 nan 8.310 nan 0.000 0.504 201 W N 0.987 122.165 121.300 -0.203 0.000 2.468 201 W HA 0.111 4.668 4.660 -0.173 0.000 0.262 201 W C 1.101 177.376 176.519 -0.407 0.000 1.241 201 W CA -0.093 57.059 57.345 -0.321 0.000 1.232 201 W CB -1.255 27.924 29.460 -0.468 0.000 1.124 201 W HN 0.461 nan 8.180 nan 0.000 0.597 202 Y N -0.437 119.822 120.300 -0.069 0.000 2.462 202 Y HA 0.093 4.539 4.550 -0.174 0.000 0.261 202 Y C 1.353 177.396 175.900 0.238 0.000 1.146 202 Y CA 0.181 58.213 58.100 -0.113 0.000 1.283 202 Y CB -0.628 37.322 38.460 -0.848 0.000 1.090 202 Y HN -0.035 nan 8.280 nan 0.000 0.526 203 N N 1.184 120.027 118.700 0.238 0.000 2.721 203 N HA -0.183 4.450 4.740 -0.178 0.000 0.249 203 N C -1.149 174.499 175.510 0.231 0.000 1.072 203 N CA 0.838 54.021 53.050 0.221 0.000 0.710 203 N CB -0.717 37.894 38.487 0.208 0.000 0.993 203 N HN 0.143 nan 8.380 nan 0.000 0.547 204 S N 0.041 115.892 115.700 0.251 0.000 2.605 204 S HA 0.346 4.709 4.470 -0.178 0.000 0.308 204 S C -1.259 173.478 174.600 0.228 0.000 1.113 204 S CA -0.947 57.420 58.200 0.277 0.000 1.049 204 S CB 2.384 65.861 63.200 0.461 0.000 1.001 204 S HN 0.080 nan 8.310 nan 0.000 0.480 205 P HA -0.059 nan 4.420 nan 0.000 0.220 205 P C 0.859 178.246 177.300 0.145 0.000 1.148 205 P CA 1.100 64.277 63.100 0.128 0.000 0.803 205 P CB -0.279 31.474 31.700 0.089 0.000 0.782 206 T N -4.887 109.773 114.554 0.177 0.000 3.258 206 T HA 0.175 4.418 4.350 -0.178 0.000 0.263 206 T C 0.995 175.835 174.700 0.233 0.000 0.983 206 T CA -0.668 61.532 62.100 0.166 0.000 0.907 206 T CB -1.007 67.936 68.868 0.124 0.000 1.096 206 T HN -0.228 nan 8.240 nan 0.000 0.556 207 F N 3.139 123.155 119.950 0.109 0.000 2.043 207 F HA -0.139 4.284 4.527 -0.173 0.000 0.297 207 F C 2.004 177.866 175.800 0.103 0.000 1.118 207 F CA 1.776 59.846 58.000 0.116 0.000 1.202 207 F CB -0.369 38.679 39.000 0.080 0.000 0.965 207 F HN 0.306 nan 8.300 nan 0.000 0.482 208 E N -0.422 119.766 120.200 -0.021 0.000 2.077 208 E HA -0.228 4.015 4.350 -0.178 0.000 0.193 208 E C 1.917 178.528 176.600 0.019 0.000 0.989 208 E CA 1.357 57.714 56.400 -0.073 0.000 0.800 208 E CB -0.305 29.390 29.700 -0.009 0.000 0.746 208 E HN 0.469 nan 8.360 nan 0.000 0.452 209 D N 0.973 121.411 120.400 0.064 0.000 2.117 209 D HA -0.144 4.389 4.640 -0.178 0.000 0.197 209 D C 1.556 177.922 176.300 0.110 0.000 0.987 209 D CA 0.967 55.024 54.000 0.094 0.000 0.829 209 D CB -0.314 40.540 40.800 0.090 0.000 0.961 209 D HN 0.117 nan 8.370 nan 0.000 0.460 210 D N 0.406 120.867 120.400 0.102 0.000 2.117 210 D HA -0.095 4.438 4.640 -0.178 0.000 0.197 210 D C 2.405 178.773 176.300 0.114 0.000 0.987 210 D CA 0.396 54.477 54.000 0.134 0.000 0.829 210 D CB -0.277 40.638 40.800 0.191 0.000 0.961 210 D HN 0.248 nan 8.370 nan 0.000 0.460 211 L N 0.819 122.032 121.223 -0.016 0.000 2.046 211 L HA -0.166 4.067 4.340 -0.178 0.000 0.208 211 L C 2.621 179.417 176.870 -0.123 0.000 1.077 211 L CA 1.249 56.034 54.840 -0.092 0.000 0.747 211 L CB -0.530 41.379 42.059 -0.250 0.000 0.896 211 L HN -0.019 nan 8.230 nan 0.000 0.432 212 E N -0.849 119.369 120.200 0.030 0.000 2.077 212 E HA -0.277 3.966 4.350 -0.178 0.000 0.193 212 E C 2.199 178.889 176.600 0.150 0.000 0.989 212 E CA 1.412 57.891 56.400 0.131 0.000 0.800 212 E CB -0.455 29.366 29.700 0.202 0.000 0.746 212 E HN 0.595 nan 8.360 nan 0.000 0.452 213 H N -0.250 118.866 119.070 0.077 0.000 2.389 213 H HA 0.029 4.477 4.556 -0.180 0.000 0.299 213 H C 2.396 177.769 175.328 0.075 0.000 1.081 213 H CA 1.659 57.755 56.048 0.080 0.000 1.345 213 H CB -0.179 29.629 29.762 0.077 0.000 1.393 213 H HN 0.301 nan 8.280 nan 0.000 0.520 214 L N -0.342 120.964 121.223 0.138 0.000 2.017 214 L HA -0.238 3.995 4.340 -0.178 0.000 0.208 214 L C 2.565 179.471 176.870 0.059 0.000 1.073 214 L CA 1.477 56.376 54.840 0.099 0.000 0.745 214 L CB -0.710 41.454 42.059 0.174 0.000 0.894 214 L HN 0.245 nan 8.230 nan 0.000 0.432 215 Y N 0.809 121.081 120.300 -0.047 0.000 2.207 215 Y HA -0.309 4.142 4.550 -0.164 0.000 0.287 215 Y C 2.726 178.618 175.900 -0.013 0.000 1.156 215 Y CA 1.643 59.703 58.100 -0.066 0.000 1.182 215 Y CB -0.181 38.078 38.460 -0.334 0.000 0.979 215 Y HN 0.215 nan 8.280 nan 0.000 0.521 216 Q N -0.481 119.323 119.800 0.006 0.000 2.181 216 Q HA -0.266 3.967 4.340 -0.178 0.000 0.205 216 Q C 2.063 177.973 176.000 -0.150 0.000 0.980 216 Q CA 1.824 57.593 55.803 -0.057 0.000 0.862 216 Q CB -0.188 28.517 28.738 -0.055 0.000 0.905 216 Q HN 0.667 nan 8.270 nan 0.000 0.429 217 Q N -0.133 119.557 119.800 -0.183 0.000 2.245 217 Q HA -0.027 4.206 4.340 -0.178 0.000 0.201 217 Q C 1.841 177.748 176.000 -0.155 0.000 0.955 217 Q CA 0.688 56.399 55.803 -0.153 0.000 0.870 217 Q CB 0.236 28.895 28.738 -0.132 0.000 0.945 217 Q HN 0.378 nan 8.270 nan 0.000 0.461 218 L N -0.162 120.923 121.223 -0.230 0.000 2.416 218 L HA 0.016 4.249 4.340 -0.178 0.000 0.216 218 L C 2.215 178.907 176.870 -0.296 0.000 1.098 218 L CA 0.303 54.992 54.840 -0.252 0.000 0.840 218 L CB -0.111 41.797 42.059 -0.251 0.000 0.981 218 L HN 0.200 nan 8.230 nan 0.000 0.462 219 E N 1.226 121.180 120.200 -0.410 0.000 2.058 219 E HA -0.218 4.025 4.350 -0.178 0.000 0.194 219 E C -0.629 175.943 176.600 -0.046 0.000 0.997 219 E CA 1.550 57.792 56.400 -0.264 0.000 0.801 219 E CB -0.515 29.074 29.700 -0.184 0.000 0.746 219 E HN 0.292 nan 8.360 nan 0.000 0.450 220 P HA -0.151 nan 4.420 nan 0.000 0.218 220 P C 1.184 178.473 177.300 -0.017 0.000 1.148 220 P CA 0.920 64.001 63.100 -0.032 0.000 0.822 220 P CB 0.029 31.703 31.700 -0.043 0.000 0.784 221 L N -2.171 119.030 121.223 -0.037 0.000 1.994 221 L HA -0.181 4.053 4.340 -0.178 0.000 0.208 221 L C 2.528 179.391 176.870 -0.011 0.000 1.071 221 L CA 1.815 56.625 54.840 -0.051 0.000 0.745 221 L CB -1.696 40.295 42.059 -0.113 0.000 0.892 221 L HN -0.064 nan 8.230 nan 0.000 0.431 222 Y N -0.279 119.973 120.300 -0.081 0.000 2.145 222 Y HA -0.253 4.191 4.550 -0.175 0.000 0.286 222 Y C 2.334 178.314 175.900 0.134 0.000 1.145 222 Y CA 1.506 59.603 58.100 -0.005 0.000 1.148 222 Y CB -0.272 38.204 38.460 0.026 0.000 0.981 222 Y HN 0.047 nan 8.280 nan 0.000 0.507 223 L N 0.076 121.358 121.223 0.098 0.000 2.042 223 L HA -0.303 3.930 4.340 -0.178 0.000 0.210 223 L C 2.306 179.215 176.870 0.064 0.000 1.076 223 L CA 1.669 56.553 54.840 0.073 0.000 0.749 223 L CB -0.694 41.383 42.059 0.029 0.000 0.893 223 L HN 0.345 nan 8.230 nan 0.000 0.432 224 N N 0.005 118.724 118.700 0.032 0.000 2.142 224 N HA -0.171 4.462 4.740 -0.178 0.000 0.186 224 N C 1.859 177.423 175.510 0.091 0.000 1.023 224 N CA 1.128 54.206 53.050 0.047 0.000 0.852 224 N CB -0.114 38.378 38.487 0.009 0.000 0.998 224 N HN 0.176 nan 8.380 nan 0.000 0.424 225 L N 1.525 122.772 121.223 0.041 0.000 2.046 225 L HA -0.152 4.081 4.340 -0.178 0.000 0.208 225 L C 2.408 179.422 176.870 0.240 0.000 1.077 225 L CA 1.746 56.652 54.840 0.110 0.000 0.747 225 L CB -0.997 41.046 42.059 -0.028 0.000 0.896 225 L HN 0.281 nan 8.230 nan 0.000 0.432 226 H N -0.145 118.908 119.070 -0.029 0.000 2.289 226 H HA -0.195 4.256 4.556 -0.175 0.000 0.296 226 H C 1.894 177.318 175.328 0.159 0.000 1.091 226 H CA 2.017 58.127 56.048 0.104 0.000 1.274 226 H CB 0.066 29.778 29.762 -0.082 0.000 1.364 226 H HN 0.479 nan 8.280 nan 0.000 0.490 227 A N 0.467 123.462 122.820 0.292 0.000 1.930 227 A HA -0.150 4.063 4.320 -0.178 0.000 0.217 227 A C 2.418 180.078 177.584 0.127 0.000 1.175 227 A CA 1.203 53.362 52.037 0.203 0.000 0.627 227 A CB -1.148 17.958 19.000 0.177 0.000 0.815 227 A HN 0.496 nan 8.150 nan 0.000 0.443 228 F N 0.737 120.704 119.950 0.029 0.000 2.102 228 F HA -0.151 4.268 4.527 -0.179 0.000 0.298 228 F C 2.214 178.021 175.800 0.012 0.000 1.105 228 F CA 1.992 60.003 58.000 0.018 0.000 1.239 228 F CB -0.302 38.735 39.000 0.063 0.000 0.991 228 F HN 0.027 nan 8.300 nan 0.000 0.474 229 V N 0.851 120.791 119.914 0.044 0.000 2.358 229 V HA -0.255 3.758 4.120 -0.178 0.000 0.246 229 V C 2.573 178.532 176.094 -0.225 0.000 1.047 229 V CA 2.107 64.341 62.300 -0.111 0.000 1.035 229 V CB -0.788 31.044 31.823 0.015 0.000 0.658 229 V HN 0.305 nan 8.190 nan 0.000 0.452 230 R N 0.236 120.603 120.500 -0.222 0.000 2.091 230 R HA -0.254 3.979 4.340 -0.178 0.000 0.238 230 R C 2.464 178.685 176.300 -0.132 0.000 1.136 230 R CA 2.023 58.000 56.100 -0.205 0.000 0.959 230 R CB -0.258 29.925 30.300 -0.194 0.000 0.856 230 R HN 0.348 nan 8.270 nan 0.000 0.437 231 R N 0.609 121.016 120.500 -0.155 0.000 2.083 231 R HA -0.089 4.144 4.340 -0.178 0.000 0.237 231 R C 1.930 178.142 176.300 -0.146 0.000 1.137 231 R CA 2.124 58.131 56.100 -0.155 0.000 0.951 231 R CB -0.826 29.360 30.300 -0.190 0.000 0.851 231 R HN 0.348 nan 8.270 nan 0.000 0.434 232 A N 0.283 122.951 122.820 -0.252 0.000 1.898 232 A HA -0.038 4.175 4.320 -0.178 0.000 0.216 232 A C 2.316 179.820 177.584 -0.135 0.000 1.181 232 A CA 1.394 53.292 52.037 -0.232 0.000 0.620 232 A CB -0.554 18.253 19.000 -0.322 0.000 0.819 232 A HN 0.358 nan 8.150 nan 0.000 0.442 233 L N -1.273 119.897 121.223 -0.090 0.000 2.083 233 L HA -0.217 4.016 4.340 -0.178 0.000 0.209 233 L C 2.716 179.645 176.870 0.099 0.000 1.083 233 L CA 1.594 56.458 54.840 0.039 0.000 0.752 233 L CB -0.729 41.349 42.059 0.031 0.000 0.899 233 L HN 0.605 nan 8.230 nan 0.000 0.433 234 H N 1.099 120.145 119.070 -0.040 0.000 2.321 234 H HA -0.139 4.310 4.556 -0.179 0.000 0.300 234 H C 2.350 177.647 175.328 -0.051 0.000 1.087 234 H CA 1.705 57.732 56.048 -0.035 0.000 1.319 234 H CB 0.198 29.910 29.762 -0.083 0.000 1.379 234 H HN 0.253 nan 8.280 nan 0.000 0.501 235 R N -0.180 120.313 120.500 -0.011 0.000 2.152 235 R HA -0.115 4.118 4.340 -0.178 0.000 0.232 235 R C 2.513 178.713 176.300 -0.167 0.000 1.117 235 R CA 1.218 57.268 56.100 -0.083 0.000 0.981 235 R CB 0.016 30.273 30.300 -0.070 0.000 0.870 235 R HN 0.136 nan 8.270 nan 0.000 0.451 236 R N -0.198 120.167 120.500 -0.224 0.000 2.066 236 R HA -0.031 4.202 4.340 -0.178 0.000 0.224 236 R C 1.098 177.112 176.300 -0.476 0.000 1.122 236 R CA 1.555 57.405 56.100 -0.416 0.000 0.974 236 R CB -0.142 29.786 30.300 -0.621 0.000 0.871 236 R HN 0.233 nan 8.270 nan 0.000 0.435 237 Y N -1.028 119.234 120.300 -0.064 0.000 2.481 237 Y HA 0.418 4.862 4.550 -0.177 0.000 0.258 237 Y C 0.941 176.824 175.900 -0.029 0.000 1.103 237 Y CA 0.270 58.373 58.100 0.005 0.000 1.287 237 Y CB 0.859 39.369 38.460 0.085 0.000 1.108 237 Y HN 0.316 nan 8.280 nan 0.000 0.529 238 G N 0.669 109.408 108.800 -0.102 0.000 2.661 238 G HA2 -0.290 3.563 3.960 -0.178 0.000 0.685 238 G HA3 -0.290 3.563 3.960 -0.178 0.000 0.685 238 G C -0.349 174.331 174.900 -0.367 0.000 1.298 238 G CA -0.121 44.816 45.100 -0.272 0.000 0.855 238 G HN 0.227 nan 8.290 nan 0.000 0.560 239 D N -0.831 119.362 120.400 -0.346 0.000 2.312 239 D HA -0.007 4.526 4.640 -0.178 0.000 0.211 239 D C 2.333 178.574 176.300 -0.098 0.000 0.964 239 D CA 1.342 55.252 54.000 -0.151 0.000 0.877 239 D CB 0.065 40.849 40.800 -0.027 0.000 0.924 239 D HN 0.495 nan 8.370 nan 0.000 0.515 240 R N -1.145 119.225 120.500 -0.217 0.000 2.090 240 R HA -0.091 4.142 4.340 -0.178 0.000 0.228 240 R C 1.153 177.281 176.300 -0.287 0.000 1.110 240 R CA 1.196 57.092 56.100 -0.340 0.000 0.973 240 R CB -0.057 29.855 30.300 -0.647 0.000 0.869 240 R HN 0.337 nan 8.270 nan 0.000 0.440 241 Y N -0.853 119.450 120.300 0.005 0.000 2.458 241 Y HA 0.298 4.740 4.550 -0.179 0.000 0.254 241 Y C 0.103 176.176 175.900 0.288 0.000 1.120 241 Y CA -0.806 57.317 58.100 0.038 0.000 1.282 241 Y CB 0.989 39.248 38.460 -0.335 0.000 1.109 241 Y HN -0.083 nan 8.280 nan 0.000 0.526 242 I N 0.941 121.665 120.570 0.256 0.000 2.465 242 I HA 0.205 4.268 4.170 -0.178 0.000 0.291 242 I C -0.912 175.088 176.117 -0.195 0.000 1.014 242 I CA -0.896 60.463 61.300 0.098 0.000 1.093 242 I CB 1.538 39.623 38.000 0.142 0.000 1.267 242 I HN 0.061 nan 8.210 nan 0.000 0.431 243 N N 6.163 124.438 118.700 -0.708 0.000 2.476 243 N HA 0.343 4.976 4.740 -0.178 0.000 0.257 243 N C 0.499 175.746 175.510 -0.438 0.000 0.970 243 N CA -0.386 52.153 53.050 -0.852 0.000 0.938 243 N CB 1.482 38.842 38.487 -1.879 0.000 1.144 243 N HN 0.563 nan 8.380 nan 0.000 0.500 244 L N 2.628 123.665 121.223 -0.310 0.000 2.456 244 L HA 0.036 4.269 4.340 -0.178 0.000 0.224 244 L C 1.350 178.136 176.870 -0.140 0.000 1.148 244 L CA 0.836 55.535 54.840 -0.235 0.000 0.825 244 L CB 0.061 41.925 42.059 -0.326 0.000 0.937 244 L HN 0.403 nan 8.230 nan 0.000 0.450 245 R N -0.904 119.501 120.500 -0.159 0.000 2.565 245 R HA 0.255 4.488 4.340 -0.178 0.000 0.347 245 R C 0.490 176.785 176.300 -0.008 0.000 1.010 245 R CA -0.077 55.984 56.100 -0.064 0.000 1.126 245 R CB 1.037 31.289 30.300 -0.080 0.000 1.331 245 R HN 0.185 nan 8.270 nan 0.000 0.552 246 G N 1.257 110.017 108.800 -0.068 0.000 3.013 246 G HA2 0.525 4.378 3.960 -0.178 0.000 0.278 246 G HA3 0.525 4.378 3.960 -0.178 0.000 0.278 246 G C -2.899 172.115 174.900 0.190 0.000 1.353 246 G CA -1.569 43.556 45.100 0.041 0.000 1.043 246 G HN -0.224 nan 8.290 nan 0.000 0.523 247 P HA 0.303 nan 4.420 nan 0.000 0.274 247 P C -0.238 177.145 177.300 0.138 0.000 1.231 247 P CA -0.315 62.833 63.100 0.079 0.000 0.790 247 P CB 0.913 32.571 31.700 -0.071 0.000 0.951 248 I N 3.074 123.677 120.570 0.053 0.000 2.474 248 I HA 0.166 4.229 4.170 -0.178 0.000 0.287 248 I C -1.978 174.130 176.117 -0.017 0.000 1.048 248 I CA -2.303 58.983 61.300 -0.023 0.000 1.383 248 I CB 0.481 38.349 38.000 -0.220 0.000 1.412 248 I HN 0.135 nan 8.210 nan 0.000 0.531 249 P HA -0.033 nan 4.420 nan 0.000 0.264 249 P C 0.197 177.404 177.300 -0.155 0.000 1.193 249 P CA 0.071 63.136 63.100 -0.059 0.000 0.763 249 P CB 0.821 32.565 31.700 0.073 0.000 0.810 250 A N 3.762 126.444 122.820 -0.230 0.000 2.216 250 A HA -0.165 4.048 4.320 -0.178 0.000 0.214 250 A C 1.297 178.755 177.584 -0.210 0.000 1.160 250 A CA 1.154 53.090 52.037 -0.168 0.000 0.725 250 A CB -1.106 17.890 19.000 -0.007 0.000 0.784 250 A HN 0.711 nan 8.150 nan 0.000 0.472 251 H N -1.976 116.735 119.070 -0.597 0.000 2.586 251 H HA 0.336 4.784 4.556 -0.179 0.000 0.273 251 H C 0.883 175.997 175.328 -0.357 0.000 0.997 251 H CA -0.137 55.641 56.048 -0.450 0.000 1.177 251 H CB -0.564 28.834 29.762 -0.607 0.000 1.471 251 H HN 0.418 nan 8.280 nan 0.000 0.538 252 L N 0.741 121.579 121.223 -0.643 0.000 2.640 252 L HA 0.248 4.481 4.340 -0.178 0.000 0.230 252 L C 1.079 177.713 176.870 -0.394 0.000 1.123 252 L CA 0.114 54.574 54.840 -0.634 0.000 0.900 252 L CB 0.371 41.996 42.059 -0.723 0.000 1.146 252 L HN 0.118 nan 8.230 nan 0.000 0.484 253 L N -0.455 120.551 121.223 -0.362 0.000 2.700 253 L HA 0.348 4.581 4.340 -0.178 0.000 0.234 253 L C 1.365 178.132 176.870 -0.171 0.000 1.156 253 L CA 0.374 54.952 54.840 -0.437 0.000 0.946 253 L CB 0.275 41.862 42.059 -0.787 0.000 1.216 253 L HN 0.354 nan 8.230 nan 0.000 0.493 254 G N 0.282 109.024 108.800 -0.097 0.000 2.175 254 G HA2 -0.295 3.558 3.960 -0.178 0.000 0.244 254 G HA3 -0.295 3.558 3.960 -0.178 0.000 0.244 254 G C -0.167 174.744 174.900 0.017 0.000 0.982 254 G CA 0.246 45.338 45.100 -0.013 0.000 0.641 254 G HN 0.467 nan 8.290 nan 0.000 0.527 255 D N -1.654 118.759 120.400 0.022 0.000 2.857 255 D HA 0.600 5.133 4.640 -0.178 0.000 0.227 255 D C 1.233 177.500 176.300 -0.054 0.000 1.192 255 D CA -0.491 53.533 54.000 0.040 0.000 0.857 255 D CB 1.065 41.976 40.800 0.185 0.000 1.645 255 D HN -0.062 nan 8.370 nan 0.000 0.482 256 M N 2.499 121.897 119.600 -0.336 0.000 2.144 256 M HA 0.020 4.393 4.480 -0.178 0.000 0.260 256 M C 0.286 176.264 176.300 -0.538 0.000 1.067 256 M CA 1.671 56.558 55.300 -0.688 0.000 1.095 256 M CB 0.033 31.660 32.600 -1.623 0.000 1.365 256 M HN 0.596 nan 8.290 nan 0.000 0.406 257 W N -0.652 120.728 121.300 0.133 0.000 3.127 257 W HA 0.567 5.118 4.660 -0.181 0.000 0.344 257 W C 1.074 177.558 176.519 -0.059 0.000 1.151 257 W CA 0.244 57.612 57.345 0.038 0.000 1.765 257 W CB -0.931 28.380 29.460 -0.248 0.000 1.085 257 W HN 0.418 nan 8.180 nan 0.000 0.596 258 A N 1.942 124.884 122.820 0.205 0.000 2.799 258 A HA -0.344 3.869 4.320 -0.178 0.000 0.287 258 A C 1.619 179.412 177.584 0.348 0.000 1.484 258 A CA 2.042 54.241 52.037 0.270 0.000 0.813 258 A CB -2.062 17.088 19.000 0.250 0.000 1.009 258 A HN 0.610 nan 8.150 nan 0.000 0.545 259 Q N -1.210 118.685 119.800 0.158 0.000 2.376 259 Q HA 0.368 4.601 4.340 -0.178 0.000 0.206 259 Q C 0.740 176.908 176.000 0.281 0.000 0.921 259 Q CA 1.087 56.911 55.803 0.035 0.000 0.911 259 Q CB 0.223 28.824 28.738 -0.229 0.000 1.032 259 Q HN 1.024 nan 8.270 nan 0.000 0.510 260 S N -0.591 115.317 115.700 0.347 0.000 2.571 260 S HA 0.389 4.752 4.470 -0.178 0.000 0.284 260 S C -1.415 173.476 174.600 0.485 0.000 1.128 260 S CA -0.816 57.570 58.200 0.311 0.000 0.970 260 S CB 0.710 64.050 63.200 0.234 0.000 1.039 260 S HN 0.442 nan 8.310 nan 0.000 0.485 261 W N 3.610 124.998 121.300 0.147 0.000 3.239 261 W HA 0.245 4.796 4.660 -0.182 0.000 0.368 261 W C 1.916 178.506 176.519 0.117 0.000 1.154 261 W CA -0.427 56.991 57.345 0.122 0.000 1.860 261 W CB -0.485 29.054 29.460 0.131 0.000 1.094 261 W HN 0.904 nan 8.180 nan 0.000 0.643 262 E N 0.573 120.948 120.200 0.292 0.000 2.171 262 E HA -0.244 3.999 4.350 -0.178 0.000 0.197 262 E C 0.977 177.693 176.600 0.192 0.000 0.997 262 E CA 1.340 57.856 56.400 0.194 0.000 0.810 262 E CB -0.690 29.068 29.700 0.096 0.000 0.738 262 E HN 0.172 nan 8.360 nan 0.000 0.467 263 N N 1.180 119.978 118.700 0.163 0.000 2.453 263 N HA -0.084 4.549 4.740 -0.178 0.000 0.183 263 N C 1.760 177.339 175.510 0.114 0.000 1.041 263 N CA 1.292 54.413 53.050 0.117 0.000 0.900 263 N CB -0.140 38.391 38.487 0.073 0.000 0.961 263 N HN 0.489 nan 8.380 nan 0.000 0.443 264 I N -3.098 117.555 120.570 0.138 0.000 3.904 264 I HA 0.128 4.192 4.170 -0.178 0.000 0.333 264 I C 1.670 177.872 176.117 0.142 0.000 1.361 264 I CA -0.486 60.869 61.300 0.093 0.000 1.116 264 I CB -0.657 37.353 38.000 0.016 0.000 1.028 264 I HN -0.181 nan 8.210 nan 0.000 0.398 265 Y N 3.420 123.769 120.300 0.082 0.000 2.139 265 Y HA -0.357 4.086 4.550 -0.179 0.000 0.282 265 Y C 2.126 178.061 175.900 0.059 0.000 1.179 265 Y CA 2.292 60.445 58.100 0.089 0.000 1.161 265 Y CB -0.324 38.187 38.460 0.085 0.000 0.970 265 Y HN 0.580 nan 8.280 nan 0.000 0.511 266 D N -0.917 119.475 120.400 -0.013 0.000 2.350 266 D HA -0.187 4.346 4.640 -0.178 0.000 0.216 266 D C 1.688 177.913 176.300 -0.126 0.000 0.968 266 D CA 1.411 55.345 54.000 -0.110 0.000 0.894 266 D CB -0.704 40.090 40.800 -0.011 0.000 0.909 266 D HN 0.480 nan 8.370 nan 0.000 0.520 267 M N -0.101 119.440 119.600 -0.097 0.000 2.501 267 M HA 0.049 4.422 4.480 -0.178 0.000 0.261 267 M C 1.617 177.834 176.300 -0.137 0.000 1.129 267 M CA 0.529 55.762 55.300 -0.112 0.000 1.126 267 M CB 0.827 33.370 32.600 -0.095 0.000 1.359 267 M HN 0.119 nan 8.290 nan 0.000 0.471 268 V N -3.921 115.920 119.914 -0.122 0.000 3.556 268 V HA 0.250 4.263 4.120 -0.178 0.000 0.287 268 V C 0.700 176.774 176.094 -0.033 0.000 1.422 268 V CA -0.458 61.792 62.300 -0.084 0.000 1.038 268 V CB -0.093 31.752 31.823 0.035 0.000 0.850 268 V HN 0.074 nan 8.190 nan 0.000 0.437 269 V N 4.923 124.678 119.914 -0.266 0.000 2.475 269 V HA 0.182 4.195 4.120 -0.178 0.000 0.292 269 V C -0.151 175.829 176.094 -0.189 0.000 1.003 269 V CA -0.149 61.938 62.300 -0.355 0.000 1.120 269 V CB 1.273 32.656 31.823 -0.733 0.000 0.937 269 V HN 0.437 nan 8.190 nan 0.000 0.476 270 P HA -0.018 nan 4.420 nan 0.000 0.221 270 P C 0.082 176.929 177.300 -0.754 0.000 1.150 270 P CA 1.135 63.946 63.100 -0.482 0.000 0.800 270 P CB 0.086 31.327 31.700 -0.764 0.000 0.787 271 F N 0.774 120.732 119.950 0.013 0.000 2.531 271 F HA 0.357 4.778 4.527 -0.178 0.000 0.333 271 F C -1.647 174.149 175.800 -0.006 0.000 1.292 271 F CA -2.190 55.816 58.000 0.010 0.000 1.184 271 F CB 1.204 40.204 39.000 0.001 0.000 1.426 271 F HN -0.135 nan 8.300 nan 0.000 0.559 272 P HA -0.111 nan 4.420 nan 0.000 0.233 272 P C 0.919 178.254 177.300 0.058 0.000 1.167 272 P CA 0.984 64.101 63.100 0.027 0.000 0.770 272 P CB 0.189 31.874 31.700 -0.025 0.000 0.837 273 D N -0.725 119.728 120.400 0.087 0.000 2.224 273 D HA -0.089 4.444 4.640 -0.178 0.000 0.205 273 D C 0.641 176.982 176.300 0.068 0.000 0.965 273 D CA 0.785 54.827 54.000 0.071 0.000 0.852 273 D CB -0.351 40.494 40.800 0.075 0.000 0.947 273 D HN 0.073 nan 8.370 nan 0.000 0.494 274 K N 1.805 122.260 120.400 0.092 0.000 2.276 274 K HA 0.190 4.403 4.320 -0.178 0.000 0.259 274 K C -2.026 174.618 176.600 0.075 0.000 1.001 274 K CA -1.440 54.892 56.287 0.075 0.000 0.927 274 K CB -0.246 32.310 32.500 0.094 0.000 0.969 274 K HN 0.128 nan 8.250 nan 0.000 0.490 275 P HA -0.065 nan 4.420 nan 0.000 0.265 275 P C -0.233 177.124 177.300 0.094 0.000 1.187 275 P CA -0.023 63.114 63.100 0.061 0.000 0.766 275 P CB 0.265 31.989 31.700 0.041 0.000 0.820 276 N N 2.457 121.213 118.700 0.093 0.000 2.416 276 N HA 0.029 4.662 4.740 -0.178 0.000 0.265 276 N C 1.000 176.586 175.510 0.127 0.000 1.195 276 N CA 0.110 53.240 53.050 0.134 0.000 0.943 276 N CB -0.138 38.412 38.487 0.104 0.000 1.115 276 N HN 0.330 nan 8.380 nan 0.000 0.481 277 L N 1.082 122.413 121.223 0.180 0.000 2.478 277 L HA 0.050 4.283 4.340 -0.178 0.000 0.223 277 L C 0.460 177.341 176.870 0.019 0.000 1.140 277 L CA 0.326 55.225 54.840 0.097 0.000 0.842 277 L CB -0.219 41.911 42.059 0.119 0.000 0.953 277 L HN 0.470 nan 8.230 nan 0.000 0.452 278 D N 0.387 120.816 120.400 0.049 0.000 2.365 278 D HA 0.082 4.615 4.640 -0.178 0.000 0.237 278 D C 0.992 177.293 176.300 0.002 0.000 1.190 278 D CA -0.168 53.837 54.000 0.009 0.000 0.867 278 D CB 1.357 42.202 40.800 0.075 0.000 1.050 278 D HN -0.008 nan 8.370 nan 0.000 0.491 279 V N 1.593 121.477 119.914 -0.049 0.000 3.620 279 V HA 0.034 4.047 4.120 -0.178 0.000 0.286 279 V C 1.656 177.681 176.094 -0.116 0.000 1.288 279 V CA 0.353 62.602 62.300 -0.084 0.000 1.178 279 V CB -0.741 31.003 31.823 -0.133 0.000 0.986 279 V HN 0.416 nan 8.190 nan 0.000 0.431 280 T N 2.316 116.822 114.554 -0.080 0.000 2.635 280 T HA -0.238 4.005 4.350 -0.178 0.000 0.267 280 T C 2.191 176.857 174.700 -0.057 0.000 1.040 280 T CA 2.651 64.706 62.100 -0.076 0.000 1.156 280 T CB -0.489 68.359 68.868 -0.033 0.000 0.863 280 T HN 0.909 nan 8.240 nan 0.000 0.430 281 S N 1.079 116.764 115.700 -0.025 0.000 2.383 281 S HA -0.165 4.198 4.470 -0.178 0.000 0.229 281 S C 2.152 176.746 174.600 -0.011 0.000 1.030 281 S CA 1.807 60.002 58.200 -0.007 0.000 1.002 281 S CB -1.155 62.050 63.200 0.008 0.000 0.829 281 S HN 0.483 nan 8.310 nan 0.000 0.467 282 T N 2.496 117.032 114.554 -0.030 0.000 2.788 282 T HA 0.058 4.301 4.350 -0.178 0.000 0.268 282 T C 1.841 176.513 174.700 -0.048 0.000 1.044 282 T CA 1.680 63.763 62.100 -0.027 0.000 1.139 282 T CB -0.437 68.410 68.868 -0.035 0.000 0.867 282 T HN 0.405 nan 8.240 nan 0.000 0.454 283 M N 0.460 119.956 119.600 -0.172 0.000 2.108 283 M HA -0.037 4.336 4.480 -0.178 0.000 0.261 283 M C 2.180 178.504 176.300 0.040 0.000 1.066 283 M CA 1.648 56.774 55.300 -0.290 0.000 1.107 283 M CB -0.609 31.717 32.600 -0.456 0.000 1.356 283 M HN 0.197 nan 8.290 nan 0.000 0.406 284 L N -0.501 120.738 121.223 0.027 0.000 2.056 284 L HA -0.204 4.029 4.340 -0.178 0.000 0.207 284 L C 2.778 179.695 176.870 0.079 0.000 1.078 284 L CA 1.193 56.074 54.840 0.069 0.000 0.749 284 L CB -0.810 41.274 42.059 0.041 0.000 0.901 284 L HN 0.425 nan 8.230 nan 0.000 0.433 285 Q N 0.435 120.272 119.800 0.061 0.000 2.096 285 Q HA -0.266 3.967 4.340 -0.178 0.000 0.204 285 Q C 2.025 178.074 176.000 0.081 0.000 0.982 285 Q CA 1.777 57.615 55.803 0.059 0.000 0.850 285 Q CB -0.035 28.730 28.738 0.044 0.000 0.901 285 Q HN 0.592 nan 8.270 nan 0.000 0.422 286 Q N -1.179 118.700 119.800 0.132 0.000 2.435 286 Q HA 0.038 4.271 4.340 -0.178 0.000 0.207 286 Q C 0.679 176.747 176.000 0.113 0.000 0.956 286 Q CA 0.548 56.445 55.803 0.157 0.000 0.917 286 Q CB 0.336 29.252 28.738 0.296 0.000 0.997 286 Q HN 0.654 nan 8.270 nan 0.000 0.497 287 G N 0.597 109.485 108.800 0.147 0.000 2.171 287 G HA2 -0.205 3.648 3.960 -0.178 0.000 0.238 287 G HA3 -0.205 3.648 3.960 -0.178 0.000 0.238 287 G C -0.691 174.232 174.900 0.039 0.000 1.039 287 G CA -0.408 44.740 45.100 0.080 0.000 0.759 287 G HN 0.208 nan 8.290 nan 0.000 0.501 288 W N 0.516 121.745 121.300 -0.118 0.000 2.231 288 W HA 0.524 5.078 4.660 -0.178 0.000 0.341 288 W C 0.881 177.456 176.519 0.093 0.000 1.298 288 W CA 0.275 57.553 57.345 -0.111 0.000 1.266 288 W CB 0.512 29.958 29.460 -0.024 0.000 1.172 288 W HN 0.240 nan 8.180 nan 0.000 0.568 289 Q N 1.267 121.380 119.800 0.521 0.000 2.552 289 Q HA 0.504 4.737 4.340 -0.178 0.000 0.289 289 Q C 1.075 177.332 176.000 0.429 0.000 1.097 289 Q CA -0.332 55.728 55.803 0.428 0.000 0.812 289 Q CB 1.168 30.112 28.738 0.344 0.000 1.460 289 Q HN 0.484 nan 8.270 nan 0.000 0.452 290 A N 0.372 123.394 122.820 0.337 0.000 1.903 290 A HA -0.232 3.981 4.320 -0.178 0.000 0.219 290 A C 1.932 179.808 177.584 0.488 0.000 1.191 290 A CA 2.825 55.108 52.037 0.411 0.000 0.638 290 A CB -0.933 18.269 19.000 0.337 0.000 0.823 290 A HN 0.769 nan 8.150 nan 0.000 0.451 291 T N -0.775 113.945 114.554 0.276 0.000 2.684 291 T HA -0.190 4.053 4.350 -0.178 0.000 0.267 291 T C 1.699 176.484 174.700 0.141 0.000 1.036 291 T CA 2.105 64.304 62.100 0.165 0.000 1.148 291 T CB -0.508 68.306 68.868 -0.091 0.000 0.863 291 T HN 0.776 nan 8.240 nan 0.000 0.436 292 H N 0.590 119.751 119.070 0.152 0.000 2.353 292 H HA 0.045 4.494 4.556 -0.178 0.000 0.300 292 H C 2.336 177.781 175.328 0.195 0.000 1.090 292 H CA 1.507 57.564 56.048 0.016 0.000 1.327 292 H CB -0.304 29.301 29.762 -0.262 0.000 1.383 292 H HN 0.282 nan 8.280 nan 0.000 0.508 293 M N -0.681 119.217 119.600 0.496 0.000 2.117 293 M HA -0.126 4.247 4.480 -0.178 0.000 0.262 293 M C 1.476 177.904 176.300 0.214 0.000 1.065 293 M CA 1.497 57.051 55.300 0.424 0.000 1.114 293 M CB -0.219 32.565 32.600 0.306 0.000 1.361 293 M HN 0.157 nan 8.290 nan 0.000 0.408 294 F N 0.112 120.246 119.950 0.306 0.000 2.146 294 F HA -0.129 4.291 4.527 -0.178 0.000 0.298 294 F C 2.608 178.650 175.800 0.403 0.000 1.096 294 F CA 1.177 59.383 58.000 0.343 0.000 1.275 294 F CB -0.338 38.945 39.000 0.472 0.000 1.008 294 F HN -0.013 nan 8.300 nan 0.000 0.480 295 R N 0.133 120.942 120.500 0.515 0.000 2.081 295 R HA -0.095 4.138 4.340 -0.178 0.000 0.235 295 R C 2.322 178.783 176.300 0.267 0.000 1.131 295 R CA 1.052 57.348 56.100 0.326 0.000 0.960 295 R CB -1.257 29.101 30.300 0.096 0.000 0.856 295 R HN 0.205 nan 8.270 nan 0.000 0.436 296 V N 1.373 121.443 119.914 0.261 0.000 2.295 296 V HA -0.246 3.767 4.120 -0.178 0.000 0.246 296 V C 2.559 178.838 176.094 0.309 0.000 1.049 296 V CA 1.925 64.401 62.300 0.293 0.000 1.024 296 V CB -0.864 31.202 31.823 0.404 0.000 0.648 296 V HN 0.332 nan 8.190 nan 0.000 0.447 297 A N -0.473 122.439 122.820 0.153 0.000 1.877 297 A HA -0.297 3.916 4.320 -0.178 0.000 0.216 297 A C 2.296 180.069 177.584 0.316 0.000 1.186 297 A CA 2.083 54.085 52.037 -0.059 0.000 0.620 297 A CB -0.599 18.055 19.000 -0.577 0.000 0.822 297 A HN 0.638 nan 8.150 nan 0.000 0.443 298 E N -0.548 119.836 120.200 0.306 0.000 2.097 298 E HA -0.266 3.978 4.350 -0.178 0.000 0.196 298 E C 2.040 178.857 176.600 0.362 0.000 1.000 298 E CA 1.385 57.983 56.400 0.330 0.000 0.804 298 E CB -0.165 29.732 29.700 0.328 0.000 0.740 298 E HN 0.603 nan 8.360 nan 0.000 0.454 299 E N -0.043 120.352 120.200 0.325 0.000 2.153 299 E HA -0.177 4.066 4.350 -0.178 0.000 0.194 299 E C 1.837 178.644 176.600 0.345 0.000 0.988 299 E CA 0.679 57.250 56.400 0.285 0.000 0.811 299 E CB -0.287 29.564 29.700 0.251 0.000 0.746 299 E HN 0.349 nan 8.360 nan 0.000 0.466 300 F N -0.063 120.068 119.950 0.302 0.000 2.102 300 F HA -0.224 4.196 4.527 -0.177 0.000 0.298 300 F C 2.019 177.865 175.800 0.075 0.000 1.105 300 F CA 1.409 59.564 58.000 0.258 0.000 1.239 300 F CB -0.309 38.778 39.000 0.145 0.000 0.991 300 F HN -0.022 nan 8.300 nan 0.000 0.474 301 F N 0.426 120.582 119.950 0.343 0.000 2.095 301 F HA -0.281 4.139 4.527 -0.179 0.000 0.298 301 F C 2.846 178.681 175.800 0.058 0.000 1.104 301 F CA 2.069 60.165 58.000 0.159 0.000 1.232 301 F CB -1.280 37.749 39.000 0.050 0.000 0.987 301 F HN 0.038 nan 8.300 nan 0.000 0.475 302 T N -2.917 111.779 114.554 0.236 0.000 2.915 302 T HA -0.157 4.086 4.350 -0.178 0.000 0.269 302 T C 2.097 176.796 174.700 -0.002 0.000 1.071 302 T CA 1.026 63.185 62.100 0.099 0.000 1.132 302 T CB -0.868 68.053 68.868 0.088 0.000 0.878 302 T HN 0.329 nan 8.240 nan 0.000 0.479 303 S N 1.884 117.547 115.700 -0.062 0.000 2.419 303 S HA 0.047 4.410 4.470 -0.178 0.000 0.233 303 S C 1.808 176.257 174.600 -0.252 0.000 1.016 303 S CA 0.610 58.651 58.200 -0.265 0.000 0.974 303 S CB -0.897 61.941 63.200 -0.603 0.000 0.786 303 S HN 0.604 nan 8.310 nan 0.000 0.492 304 L N 0.719 121.852 121.223 -0.151 0.000 2.612 304 L HA 0.316 4.549 4.340 -0.178 0.000 0.230 304 L C 0.610 177.444 176.870 -0.060 0.000 1.140 304 L CA 0.196 54.972 54.840 -0.106 0.000 0.896 304 L CB -0.773 41.255 42.059 -0.052 0.000 1.065 304 L HN 0.302 nan 8.230 nan 0.000 0.447 305 E N -0.019 120.152 120.200 -0.048 0.000 2.791 305 E HA -0.215 4.028 4.350 -0.178 0.000 0.271 305 E C -0.032 176.564 176.600 -0.007 0.000 1.044 305 E CA 0.151 56.534 56.400 -0.029 0.000 0.814 305 E CB -1.279 28.395 29.700 -0.043 0.000 1.400 305 E HN 0.456 nan 8.360 nan 0.000 0.423 306 L N -0.074 121.167 121.223 0.030 0.000 2.469 306 L HA 0.327 4.560 4.340 -0.178 0.000 0.253 306 L C 0.977 177.861 176.870 0.024 0.000 1.143 306 L CA -0.583 54.282 54.840 0.043 0.000 0.804 306 L CB 0.921 43.065 42.059 0.141 0.000 1.214 306 L HN -0.093 nan 8.230 nan 0.000 0.476 307 S N 1.098 116.777 115.700 -0.035 0.000 2.580 307 S HA 0.252 4.615 4.470 -0.178 0.000 0.274 307 S C -2.215 172.341 174.600 -0.073 0.000 1.329 307 S CA -0.885 57.275 58.200 -0.067 0.000 1.036 307 S CB 0.737 63.862 63.200 -0.124 0.000 0.919 307 S HN 0.368 nan 8.310 nan 0.000 0.515 308 P HA 0.184 nan 4.420 nan 0.000 0.276 308 P C -0.669 176.588 177.300 -0.071 0.000 1.252 308 P CA -0.592 62.508 63.100 0.001 0.000 0.802 308 P CB 0.401 32.143 31.700 0.070 0.000 1.035 309 M N 2.081 121.636 119.600 -0.076 0.000 2.246 309 M HA 0.191 4.564 4.480 -0.178 0.000 0.350 309 M C -1.833 174.502 176.300 0.058 0.000 1.406 309 M CA -1.823 53.312 55.300 -0.274 0.000 1.089 309 M CB -0.718 31.396 32.600 -0.810 0.000 1.782 309 M HN 0.251 nan 8.290 nan 0.000 0.457 310 P HA 0.203 nan 4.420 nan 0.000 0.272 310 P C -2.205 175.261 177.300 0.277 0.000 1.240 310 P CA -1.122 62.074 63.100 0.160 0.000 0.791 310 P CB -0.225 31.566 31.700 0.152 0.000 0.978 311 P HA -0.194 nan 4.420 nan 0.000 0.216 311 P C 1.305 178.722 177.300 0.194 0.000 1.150 311 P CA 1.677 64.934 63.100 0.261 0.000 0.843 311 P CB -0.068 31.716 31.700 0.140 0.000 0.787 312 E N -1.642 118.627 120.200 0.115 0.000 2.118 312 E HA -0.184 4.059 4.350 -0.178 0.000 0.195 312 E C 1.698 178.286 176.600 -0.019 0.000 0.992 312 E CA 0.885 57.292 56.400 0.012 0.000 0.804 312 E CB -1.097 28.587 29.700 -0.026 0.000 0.741 312 E HN 0.271 nan 8.360 nan 0.000 0.458 313 F N -0.681 119.206 119.950 -0.105 0.000 2.075 313 F HA -0.189 4.231 4.527 -0.179 0.000 0.297 313 F C 1.532 177.148 175.800 -0.307 0.000 1.113 313 F CA 1.599 59.444 58.000 -0.259 0.000 1.218 313 F CB -0.348 38.399 39.000 -0.422 0.000 0.984 313 F HN 0.043 nan 8.300 nan 0.000 0.472 314 W N 0.696 122.017 121.300 0.035 0.000 2.436 314 W HA -0.074 4.480 4.660 -0.177 0.000 0.284 314 W C 2.290 178.711 176.519 -0.164 0.000 1.225 314 W CA 0.693 57.986 57.345 -0.087 0.000 1.271 314 W CB -0.307 29.190 29.460 0.061 0.000 1.114 314 W HN -0.049 nan 8.180 nan 0.000 0.559 315 E N -0.609 119.625 120.200 0.058 0.000 2.158 315 E HA -0.030 4.213 4.350 -0.178 0.000 0.191 315 E C 2.323 178.850 176.600 -0.120 0.000 0.982 315 E CA 1.374 57.762 56.400 -0.020 0.000 0.823 315 E CB -0.737 28.952 29.700 -0.018 0.000 0.766 315 E HN 0.380 nan 8.360 nan 0.000 0.468 316 G N 0.400 109.060 108.800 -0.234 0.000 2.656 316 G HA2 -0.013 3.840 3.960 -0.178 0.000 0.211 316 G HA3 -0.013 3.840 3.960 -0.178 0.000 0.211 316 G C 0.852 175.562 174.900 -0.317 0.000 1.137 316 G CA -0.154 44.747 45.100 -0.332 0.000 0.802 316 G HN 0.050 nan 8.290 nan 0.000 0.527 317 S N 0.365 115.814 115.700 -0.417 0.000 2.579 317 S HA 0.364 4.728 4.470 -0.178 0.000 0.275 317 S C -0.092 174.439 174.600 -0.115 0.000 1.345 317 S CA -0.067 57.921 58.200 -0.354 0.000 1.031 317 S CB 1.208 63.864 63.200 -0.907 0.000 0.892 317 S HN 0.251 nan 8.310 nan 0.000 0.529 318 M N 3.890 123.503 119.600 0.023 0.000 2.044 318 M HA 0.336 4.709 4.480 -0.178 0.000 0.333 318 M C -0.727 175.523 176.300 -0.083 0.000 1.004 318 M CA -0.335 54.948 55.300 -0.028 0.000 0.954 318 M CB -0.001 32.571 32.600 -0.048 0.000 1.468 318 M HN 0.623 nan 8.290 nan 0.000 0.414 319 L N 2.830 123.977 121.223 -0.126 0.000 2.693 319 L HA 0.379 4.612 4.340 -0.178 0.000 0.235 319 L C 0.047 176.936 176.870 0.033 0.000 1.127 319 L CA 0.245 54.997 54.840 -0.147 0.000 0.914 319 L CB 0.226 42.057 42.059 -0.379 0.000 1.193 319 L HN 0.669 nan 8.230 nan 0.000 0.502 320 E N 0.163 120.378 120.200 0.025 0.000 2.367 320 E HA 0.263 4.506 4.350 -0.178 0.000 0.273 320 E C -0.969 175.647 176.600 0.027 0.000 0.903 320 E CA -0.856 55.575 56.400 0.053 0.000 0.764 320 E CB 2.674 32.406 29.700 0.054 0.000 1.252 320 E HN -0.096 nan 8.360 nan 0.000 0.446 321 K N 2.582 123.001 120.400 0.033 0.000 2.412 321 K HA 0.154 4.367 4.320 -0.178 0.000 0.284 321 K C -2.292 174.314 176.600 0.009 0.000 1.046 321 K CA -1.285 55.011 56.287 0.015 0.000 0.999 321 K CB 0.233 32.746 32.500 0.022 0.000 0.941 321 K HN 0.121 nan 8.250 nan 0.000 0.474 322 P HA -0.055 nan 4.420 nan 0.000 0.265 322 P C -0.414 176.888 177.300 0.003 0.000 1.193 322 P CA 0.093 63.188 63.100 -0.008 0.000 0.765 322 P CB 1.076 32.761 31.700 -0.025 0.000 0.823 323 A N 2.942 125.767 122.820 0.008 0.000 2.067 323 A HA -0.049 4.164 4.320 -0.178 0.000 0.217 323 A C 0.846 178.437 177.584 0.011 0.000 1.156 323 A CA 0.823 52.868 52.037 0.014 0.000 0.683 323 A CB -0.927 18.083 19.000 0.016 0.000 0.808 323 A HN 0.679 nan 8.150 nan 0.000 0.455 324 D N -0.797 119.606 120.400 0.005 0.000 2.380 324 D HA 0.349 4.882 4.640 -0.178 0.000 0.254 324 D C 0.814 177.117 176.300 0.004 0.000 1.288 324 D CA 0.050 54.053 54.000 0.004 0.000 1.008 324 D CB -0.039 40.761 40.800 -0.001 0.000 1.099 324 D HN -0.009 nan 8.370 nan 0.000 0.537 325 G N -0.831 107.972 108.800 0.004 0.000 3.717 325 G HA2 0.266 4.120 3.960 -0.178 0.000 0.258 325 G HA3 0.266 4.120 3.960 -0.178 0.000 0.258 325 G C 0.060 174.959 174.900 -0.002 0.000 1.088 325 G CA -0.675 44.428 45.100 0.005 0.000 1.737 325 G HN 0.605 nan 8.290 nan 0.000 0.648 326 R N -0.466 120.028 120.500 -0.009 0.000 2.711 326 R HA 0.520 4.753 4.340 -0.178 0.000 0.284 326 R C -0.899 175.385 176.300 -0.026 0.000 0.968 326 R CA -0.782 55.305 56.100 -0.022 0.000 0.924 326 R CB 1.800 32.079 30.300 -0.035 0.000 1.162 326 R HN 0.067 nan 8.270 nan 0.000 0.465 327 E N 2.554 122.733 120.200 -0.034 0.000 2.283 327 E HA 0.278 4.521 4.350 -0.178 0.000 0.278 327 E C -0.230 176.331 176.600 -0.064 0.000 1.027 327 E CA -0.742 55.639 56.400 -0.031 0.000 0.843 327 E CB 1.971 31.659 29.700 -0.020 0.000 1.062 327 E HN 0.509 nan 8.360 nan 0.000 0.401 328 V N -0.912 118.977 119.914 -0.042 0.000 3.040 328 V HA 0.439 4.452 4.120 -0.178 0.000 0.312 328 V C -0.182 175.919 176.094 0.011 0.000 1.115 328 V CA -1.138 61.125 62.300 -0.061 0.000 0.998 328 V CB 1.752 33.528 31.823 -0.077 0.000 1.042 328 V HN 0.334 nan 8.190 nan 0.000 0.433 329 V N 2.007 121.941 119.914 0.032 0.000 2.415 329 V HA 0.083 4.096 4.120 -0.178 0.000 0.267 329 V C 1.113 177.275 176.094 0.114 0.000 1.042 329 V CA 0.292 62.683 62.300 0.151 0.000 1.000 329 V CB 0.335 32.299 31.823 0.235 0.000 1.015 329 V HN 1.165 nan 8.190 nan 0.000 0.478 330 c N 3.558 122.235 118.600 0.128 0.000 2.533 330 c HA 0.079 4.543 4.570 -0.178 0.000 0.272 330 c C 1.432 175.549 174.090 0.045 0.000 1.371 330 c CA -0.086 56.285 56.329 0.071 0.000 1.758 330 c CB -1.163 41.377 42.510 0.050 0.000 1.972 330 c HN 0.945 nan 8.230 nan 0.000 0.522 331 H N 0.810 119.839 119.070 -0.069 0.000 3.094 331 H HA 0.333 4.782 4.556 -0.178 0.000 0.320 331 H C 0.609 175.823 175.328 -0.189 0.000 1.000 331 H CA 0.628 56.501 56.048 -0.292 0.000 1.413 331 H CB 0.498 29.662 29.762 -0.997 0.000 1.405 331 H HN 0.467 nan 8.280 nan 0.000 0.586 332 A N 4.154 126.830 122.820 -0.240 0.000 2.462 332 A HA 0.438 4.651 4.320 -0.178 0.000 0.243 332 A C -0.247 177.445 177.584 0.179 0.000 1.076 332 A CA 0.374 52.430 52.037 0.031 0.000 0.773 332 A CB 0.032 19.052 19.000 0.033 0.000 1.010 332 A HN 0.841 nan 8.150 nan 0.000 0.493 333 S N -0.053 115.834 115.700 0.311 0.000 2.547 333 S HA 0.786 5.150 4.470 -0.178 0.000 0.270 333 S C -0.676 174.219 174.600 0.492 0.000 1.150 333 S CA -0.183 58.215 58.200 0.329 0.000 0.850 333 S CB 1.383 64.737 63.200 0.255 0.000 1.118 333 S HN 2.094 nan 8.310 nan 0.000 0.461 334 A N 0.806 123.823 122.820 0.327 0.000 2.350 334 A HA 0.814 5.027 4.320 -0.178 0.000 0.324 334 A C -1.823 175.999 177.584 0.397 0.000 1.118 334 A CA -0.733 51.611 52.037 0.511 0.000 0.783 334 A CB 0.591 19.837 19.000 0.409 0.000 1.236 334 A HN 0.756 nan 8.150 nan 0.000 0.457 335 W N 1.025 122.576 121.300 0.419 0.000 2.683 335 W HA 0.482 5.037 4.660 -0.176 0.000 0.329 335 W C -0.791 175.721 176.519 -0.011 0.000 1.037 335 W CA -0.346 57.084 57.345 0.143 0.000 1.232 335 W CB 1.820 31.370 29.460 0.150 0.000 1.390 335 W HN 0.640 nan 8.180 nan 0.000 0.465 336 D N 2.101 122.259 120.400 -0.403 0.000 2.349 336 D HA 0.247 4.780 4.640 -0.178 0.000 0.232 336 D C -0.068 175.861 176.300 -0.617 0.000 1.071 336 D CA -0.519 53.059 54.000 -0.702 0.000 0.832 336 D CB 0.921 40.803 40.800 -1.529 0.000 1.086 336 D HN 0.190 nan 8.370 nan 0.000 0.504 337 F N 2.498 122.180 119.950 -0.447 0.000 2.797 337 F HA 0.102 4.523 4.527 -0.177 0.000 0.302 337 F C 0.623 176.437 175.800 0.023 0.000 1.130 337 F CA -0.161 57.743 58.000 -0.160 0.000 1.387 337 F CB -0.484 38.459 39.000 -0.094 0.000 1.107 337 F HN 0.456 nan 8.300 nan 0.000 0.577 338 Y N -0.244 120.069 120.300 0.022 0.000 4.079 338 Y HA -0.348 4.094 4.550 -0.179 0.000 0.223 338 Y C 1.160 177.068 175.900 0.012 0.000 1.155 338 Y CA 0.434 58.539 58.100 0.009 0.000 1.805 338 Y CB -2.290 36.151 38.460 -0.032 0.000 1.571 338 Y HN 0.323 nan 8.280 nan 0.000 0.654 339 N N -0.036 118.700 118.700 0.060 0.000 2.187 339 N HA 0.162 4.795 4.740 -0.178 0.000 0.212 339 N C 0.573 176.043 175.510 -0.067 0.000 1.152 339 N CA 0.415 53.441 53.050 -0.041 0.000 0.872 339 N CB 0.248 38.641 38.487 -0.158 0.000 1.025 339 N HN 0.465 nan 8.380 nan 0.000 0.514 340 R N -0.993 119.481 120.500 -0.044 0.000 3.989 340 R HA -0.189 4.044 4.340 -0.178 0.000 0.377 340 R C 0.364 176.719 176.300 0.092 0.000 1.158 340 R CA 1.599 57.766 56.100 0.111 0.000 1.035 340 R CB -1.577 28.797 30.300 0.123 0.000 1.557 340 R HN 0.350 nan 8.270 nan 0.000 0.551 341 K N -0.663 119.608 120.400 -0.214 0.000 2.585 341 K HA 0.128 4.341 4.320 -0.178 0.000 0.198 341 K C -0.181 176.206 176.600 -0.355 0.000 1.403 341 K CA -0.118 56.092 56.287 -0.128 0.000 1.021 341 K CB 0.660 33.091 32.500 -0.115 0.000 1.558 341 K HN 0.018 nan 8.250 nan 0.000 0.524 342 D N 0.809 120.821 120.400 -0.647 0.000 2.232 342 D HA 0.274 4.807 4.640 -0.178 0.000 0.242 342 D C -1.000 174.793 176.300 -0.844 0.000 1.093 342 D CA 0.200 53.812 54.000 -0.646 0.000 0.845 342 D CB 0.967 41.324 40.800 -0.737 0.000 1.124 342 D HN -0.080 nan 8.370 nan 0.000 0.467 343 F N 1.417 121.381 119.950 0.024 0.000 2.573 343 F HA 0.434 4.853 4.527 -0.179 0.000 0.316 343 F C 0.325 176.256 175.800 0.217 0.000 1.148 343 F CA -0.954 57.174 58.000 0.214 0.000 0.940 343 F CB 1.890 41.025 39.000 0.224 0.000 1.214 343 F HN -0.077 nan 8.300 nan 0.000 0.448 344 R N 2.854 123.620 120.500 0.442 0.000 2.740 344 R HA 0.750 4.983 4.340 -0.178 0.000 0.273 344 R C -1.570 174.992 176.300 0.437 0.000 0.998 344 R CA -1.049 55.143 56.100 0.153 0.000 0.900 344 R CB 3.153 33.231 30.300 -0.369 0.000 1.223 344 R HN 0.579 nan 8.270 nan 0.000 0.466 345 I N 1.407 122.126 120.570 0.249 0.000 2.493 345 I HA 0.329 4.392 4.170 -0.178 0.000 0.298 345 I C -0.260 176.046 176.117 0.316 0.000 0.998 345 I CA -0.609 60.941 61.300 0.417 0.000 1.137 345 I CB 1.843 40.115 38.000 0.453 0.000 1.310 345 I HN 0.331 nan 8.210 nan 0.000 0.445 346 K N 6.818 127.464 120.400 0.411 0.000 2.521 346 K HA 0.414 4.628 4.320 -0.178 0.000 0.248 346 K C -1.231 175.492 176.600 0.205 0.000 0.978 346 K CA -0.462 55.944 56.287 0.200 0.000 0.947 346 K CB 1.086 33.604 32.500 0.030 0.000 1.165 346 K HN 0.651 nan 8.250 nan 0.000 0.445 347 Q N 3.992 123.886 119.800 0.155 0.000 2.271 347 Q HA 0.265 4.498 4.340 -0.178 0.000 0.268 347 Q C -1.330 174.745 176.000 0.125 0.000 1.021 347 Q CA -0.758 55.151 55.803 0.176 0.000 0.802 347 Q CB 1.723 30.653 28.738 0.320 0.000 1.282 347 Q HN 0.749 nan 8.270 nan 0.000 0.431 348 c N 3.948 122.599 118.600 0.084 0.000 3.025 348 c HA 0.211 4.674 4.570 -0.178 0.000 0.547 348 c C 0.294 174.439 174.090 0.091 0.000 1.058 348 c CA -0.237 56.132 56.329 0.066 0.000 1.164 348 c CB -1.906 40.625 42.510 0.035 0.000 1.405 348 c HN 0.594 nan 8.230 nan 0.000 0.610 349 T N 2.942 117.584 114.554 0.148 0.000 2.853 349 T HA 0.149 4.393 4.350 -0.178 0.000 0.298 349 T C 0.471 175.253 174.700 0.137 0.000 0.978 349 T CA 0.441 62.652 62.100 0.185 0.000 1.152 349 T CB 0.453 69.519 68.868 0.330 0.000 0.914 349 T HN 0.594 nan 8.240 nan 0.000 0.539 350 R N 1.583 122.146 120.500 0.105 0.000 2.732 350 R HA 0.515 4.748 4.340 -0.178 0.000 0.278 350 R C -0.642 175.713 176.300 0.093 0.000 0.976 350 R CA -0.924 55.226 56.100 0.084 0.000 0.963 350 R CB 1.459 31.787 30.300 0.046 0.000 1.150 350 R HN 0.364 nan 8.270 nan 0.000 0.478 351 V N 2.765 122.735 119.914 0.092 0.000 2.223 351 V HA 0.147 4.161 4.120 -0.178 0.000 0.249 351 V C 0.144 176.256 176.094 0.031 0.000 1.233 351 V CA -0.045 62.311 62.300 0.092 0.000 1.131 351 V CB -0.405 31.496 31.823 0.130 0.000 1.298 351 V HN 0.929 nan 8.190 nan 0.000 0.498 352 T N 0.308 114.867 114.554 0.008 0.000 2.883 352 T HA 0.470 4.713 4.350 -0.178 0.000 0.296 352 T C 0.739 175.406 174.700 -0.056 0.000 1.117 352 T CA -0.711 61.374 62.100 -0.025 0.000 1.006 352 T CB 2.033 70.896 68.868 -0.008 0.000 1.191 352 T HN 0.224 nan 8.240 nan 0.000 0.508 353 M N 1.278 120.832 119.600 -0.076 0.000 2.117 353 M HA -0.095 4.278 4.480 -0.178 0.000 0.262 353 M C 2.005 178.267 176.300 -0.063 0.000 1.065 353 M CA 2.453 57.696 55.300 -0.094 0.000 1.114 353 M CB -0.431 32.112 32.600 -0.094 0.000 1.361 353 M HN 0.886 nan 8.290 nan 0.000 0.408 354 D N -0.911 119.465 120.400 -0.040 0.000 2.178 354 D HA -0.237 4.296 4.640 -0.178 0.000 0.201 354 D C 1.555 177.843 176.300 -0.021 0.000 0.980 354 D CA 1.082 55.065 54.000 -0.028 0.000 0.842 354 D CB -0.551 40.245 40.800 -0.006 0.000 0.948 354 D HN 0.456 nan 8.370 nan 0.000 0.472 355 Q N -0.068 119.726 119.800 -0.010 0.000 2.172 355 Q HA -0.031 4.202 4.340 -0.178 0.000 0.200 355 Q C 2.398 178.401 176.000 0.005 0.000 0.964 355 Q CA 0.224 56.030 55.803 0.005 0.000 0.855 355 Q CB -0.273 28.481 28.738 0.027 0.000 0.918 355 Q HN 0.315 nan 8.270 nan 0.000 0.444 356 L N 0.729 121.953 121.223 0.003 0.000 2.042 356 L HA -0.145 4.088 4.340 -0.178 0.000 0.210 356 L C 2.144 179.093 176.870 0.131 0.000 1.076 356 L CA 1.750 56.617 54.840 0.046 0.000 0.749 356 L CB -0.707 41.354 42.059 0.004 0.000 0.893 356 L HN 0.003 nan 8.230 nan 0.000 0.432 357 S N -1.303 114.410 115.700 0.021 0.000 2.382 357 S HA -0.177 4.186 4.470 -0.178 0.000 0.228 357 S C 1.787 176.416 174.600 0.048 0.000 1.027 357 S CA 1.656 59.848 58.200 -0.013 0.000 0.991 357 S CB -0.485 62.657 63.200 -0.097 0.000 0.823 357 S HN 0.594 nan 8.310 nan 0.000 0.469 358 T N 2.008 116.577 114.554 0.025 0.000 2.777 358 T HA -0.044 4.200 4.350 -0.178 0.000 0.266 358 T C 1.937 176.684 174.700 0.079 0.000 1.040 358 T CA 1.046 63.172 62.100 0.044 0.000 1.141 358 T CB -0.399 68.471 68.868 0.003 0.000 0.868 358 T HN 0.175 nan 8.240 nan 0.000 0.444 359 V N 1.153 121.048 119.914 -0.030 0.000 2.287 359 V HA -0.250 3.764 4.120 -0.178 0.000 0.248 359 V C 2.259 178.262 176.094 -0.152 0.000 1.053 359 V CA 1.935 64.078 62.300 -0.260 0.000 1.027 359 V CB -0.720 30.727 31.823 -0.627 0.000 0.646 359 V HN 0.558 nan 8.190 nan 0.000 0.447 360 H N -1.165 117.868 119.070 -0.061 0.000 2.352 360 H HA -0.202 4.247 4.556 -0.178 0.000 0.299 360 H C 2.262 177.614 175.328 0.039 0.000 1.097 360 H CA 2.136 58.188 56.048 0.007 0.000 1.311 360 H CB -0.375 29.322 29.762 -0.107 0.000 1.377 360 H HN 0.653 nan 8.280 nan 0.000 0.504 361 H N 0.700 119.802 119.070 0.052 0.000 2.290 361 H HA -0.120 4.329 4.556 -0.178 0.000 0.298 361 H C 1.897 177.211 175.328 -0.023 0.000 1.087 361 H CA 1.886 57.922 56.048 -0.019 0.000 1.291 361 H CB 0.245 30.006 29.762 -0.003 0.000 1.369 361 H HN 0.241 nan 8.280 nan 0.000 0.492 362 E N 0.194 120.500 120.200 0.177 0.000 2.110 362 E HA -0.192 4.051 4.350 -0.178 0.000 0.193 362 E C 2.402 179.063 176.600 0.100 0.000 0.988 362 E CA 1.155 57.701 56.400 0.244 0.000 0.804 362 E CB -0.442 29.481 29.700 0.372 0.000 0.745 362 E HN 0.602 nan 8.360 nan 0.000 0.458 363 M N 0.359 119.968 119.600 0.016 0.000 2.296 363 M HA -0.037 4.336 4.480 -0.178 0.000 0.265 363 M C 1.979 178.049 176.300 -0.382 0.000 1.064 363 M CA 1.557 56.739 55.300 -0.198 0.000 1.109 363 M CB -0.118 32.350 32.600 -0.220 0.000 1.396 363 M HN 0.120 nan 8.290 nan 0.000 0.430 364 G N -0.555 108.168 108.800 -0.130 0.000 2.418 364 G HA2 -0.241 3.612 3.960 -0.178 0.000 0.217 364 G HA3 -0.241 3.612 3.960 -0.178 0.000 0.217 364 G C 1.211 175.967 174.900 -0.241 0.000 1.158 364 G CA 0.849 45.884 45.100 -0.109 0.000 0.771 364 G HN 0.490 nan 8.290 nan 0.000 0.545 365 H N 0.543 119.509 119.070 -0.174 0.000 2.321 365 H HA -0.033 4.416 4.556 -0.179 0.000 0.300 365 H C 2.777 177.655 175.328 -0.750 0.000 1.087 365 H CA 1.079 56.974 56.048 -0.255 0.000 1.319 365 H CB -0.223 29.412 29.762 -0.211 0.000 1.379 365 H HN 0.194 nan 8.280 nan 0.000 0.501 366 I N 0.949 121.273 120.570 -0.409 0.000 2.163 366 I HA -0.245 3.818 4.170 -0.178 0.000 0.243 366 I C 2.583 178.392 176.117 -0.514 0.000 1.085 366 I CA 1.171 62.227 61.300 -0.407 0.000 1.347 366 I CB -1.006 36.827 38.000 -0.280 0.000 1.044 366 I HN 0.208 nan 8.210 nan 0.000 0.408 367 Q N 0.431 119.896 119.800 -0.559 0.000 2.096 367 Q HA -0.234 3.999 4.340 -0.178 0.000 0.204 367 Q C 2.300 178.058 176.000 -0.405 0.000 0.982 367 Q CA 1.758 57.245 55.803 -0.527 0.000 0.850 367 Q CB -0.649 27.735 28.738 -0.590 0.000 0.901 367 Q HN 0.548 nan 8.270 nan 0.000 0.422 368 Y N -0.855 119.133 120.300 -0.520 0.000 2.097 368 Y HA -0.358 4.085 4.550 -0.178 0.000 0.282 368 Y C 1.877 177.206 175.900 -0.953 0.000 1.152 368 Y CA 1.665 59.381 58.100 -0.641 0.000 1.136 368 Y CB -0.166 37.876 38.460 -0.696 0.000 0.975 368 Y HN 0.272 nan 8.280 nan 0.000 0.498 369 Y N -0.471 119.525 120.300 -0.508 0.000 2.165 369 Y HA -0.334 4.108 4.550 -0.179 0.000 0.286 369 Y C 2.358 177.923 175.900 -0.559 0.000 1.155 369 Y CA 0.835 58.606 58.100 -0.548 0.000 1.164 369 Y CB -0.516 37.890 38.460 -0.091 0.000 0.978 369 Y HN 0.120 nan 8.280 nan 0.000 0.513 370 L N -0.287 120.631 121.223 -0.507 0.000 2.083 370 L HA -0.226 4.007 4.340 -0.178 0.000 0.209 370 L C 2.435 179.157 176.870 -0.246 0.000 1.083 370 L CA 0.943 55.483 54.840 -0.500 0.000 0.752 370 L CB -0.516 41.239 42.059 -0.507 0.000 0.899 370 L HN 0.298 nan 8.230 nan 0.000 0.433 371 Q N -0.246 119.412 119.800 -0.237 0.000 2.187 371 Q HA -0.131 4.102 4.340 -0.178 0.000 0.199 371 Q C 1.489 177.516 176.000 0.044 0.000 0.957 371 Q CA 1.162 56.902 55.803 -0.104 0.000 0.857 371 Q CB -0.020 28.646 28.738 -0.120 0.000 0.929 371 Q HN 0.728 nan 8.270 nan 0.000 0.453 372 Y N -0.418 119.948 120.300 0.109 0.000 2.607 372 Y HA 0.338 4.781 4.550 -0.179 0.000 0.266 372 Y C 1.360 177.334 175.900 0.123 0.000 1.178 372 Y CA -0.871 57.301 58.100 0.120 0.000 1.226 372 Y CB -0.650 37.898 38.460 0.147 0.000 1.144 372 Y HN -0.006 nan 8.280 nan 0.000 0.528 373 K N -0.114 120.484 120.400 0.331 0.000 2.209 373 K HA -0.140 4.074 4.320 -0.178 0.000 0.204 373 K C 0.289 177.028 176.600 0.233 0.000 1.048 373 K CA 1.860 58.344 56.287 0.328 0.000 0.940 373 K CB -0.192 32.490 32.500 0.303 0.000 0.729 373 K HN 0.191 nan 8.250 nan 0.000 0.451 374 D N 1.082 121.587 120.400 0.175 0.000 2.349 374 D HA 0.073 4.606 4.640 -0.178 0.000 0.215 374 D C 0.687 177.047 176.300 0.101 0.000 1.016 374 D CA 0.236 54.307 54.000 0.118 0.000 0.870 374 D CB 0.120 40.972 40.800 0.087 0.000 0.917 374 D HN 0.210 nan 8.370 nan 0.000 0.524 375 L N 1.692 122.989 121.223 0.122 0.000 2.452 375 L HA 0.163 4.396 4.340 -0.178 0.000 0.267 375 L C -1.992 174.906 176.870 0.047 0.000 1.188 375 L CA -1.590 53.294 54.840 0.073 0.000 0.821 375 L CB -0.110 41.983 42.059 0.057 0.000 1.102 375 L HN -0.332 nan 8.230 nan 0.000 0.470 376 P HA -0.077 nan 4.420 nan 0.000 0.265 376 P C 0.787 178.077 177.300 -0.017 0.000 1.187 376 P CA 0.100 63.199 63.100 -0.002 0.000 0.766 376 P CB 0.710 32.406 31.700 -0.007 0.000 0.820 377 V N 3.152 123.048 119.914 -0.030 0.000 2.380 377 V HA -0.255 3.758 4.120 -0.178 0.000 0.251 377 V C 1.842 177.889 176.094 -0.078 0.000 1.063 377 V CA 2.569 64.843 62.300 -0.043 0.000 1.055 377 V CB -0.779 30.971 31.823 -0.122 0.000 0.657 377 V HN 0.562 nan 8.190 nan 0.000 0.455 378 S N -0.343 115.325 115.700 -0.053 0.000 2.507 378 S HA 0.074 4.437 4.470 -0.178 0.000 0.235 378 S C 1.418 175.964 174.600 -0.090 0.000 0.988 378 S CA 0.925 59.099 58.200 -0.044 0.000 0.944 378 S CB -0.153 63.062 63.200 0.026 0.000 0.762 378 S HN 0.585 nan 8.310 nan 0.000 0.526 379 L N 0.246 121.403 121.223 -0.110 0.000 2.640 379 L HA 0.259 4.492 4.340 -0.178 0.000 0.230 379 L C 0.714 177.375 176.870 -0.348 0.000 1.123 379 L CA 0.062 54.804 54.840 -0.162 0.000 0.900 379 L CB -0.034 41.967 42.059 -0.098 0.000 1.146 379 L HN -0.014 nan 8.230 nan 0.000 0.484 380 R N 1.593 121.868 120.500 -0.376 0.000 4.164 380 R HA 0.223 4.456 4.340 -0.178 0.000 0.195 380 R C -0.476 175.380 176.300 -0.740 0.000 1.712 380 R CA -0.072 55.547 56.100 -0.802 0.000 1.457 380 R CB -0.074 30.145 30.300 -0.135 0.000 1.387 380 R HN 0.101 nan 8.270 nan 0.000 0.785 381 R N -0.836 119.201 120.500 -0.771 0.000 2.752 381 R HA 0.355 4.588 4.340 -0.178 0.000 0.271 381 R C -0.035 176.097 176.300 -0.281 0.000 1.026 381 R CA -1.062 54.871 56.100 -0.279 0.000 0.901 381 R CB 0.506 30.676 30.300 -0.218 0.000 1.243 381 R HN 0.399 nan 8.270 nan 0.000 0.463 382 G N -0.200 108.505 108.800 -0.159 0.000 2.636 382 G HA2 0.338 4.191 3.960 -0.178 0.000 0.246 382 G HA3 0.338 4.191 3.960 -0.178 0.000 0.246 382 G C 0.909 175.705 174.900 -0.173 0.000 1.216 382 G CA 0.262 45.176 45.100 -0.310 0.000 0.854 382 G HN 0.553 nan 8.290 nan 0.000 0.572 383 A N 1.095 123.779 122.820 -0.226 0.000 1.917 383 A HA -0.023 4.190 4.320 -0.178 0.000 0.219 383 A C 1.303 178.726 177.584 -0.269 0.000 1.182 383 A CA 2.137 53.934 52.037 -0.400 0.000 0.633 383 A CB -0.635 17.763 19.000 -1.003 0.000 0.819 383 A HN 1.021 nan 8.150 nan 0.000 0.448 384 N N -4.045 114.497 118.700 -0.262 0.000 2.647 384 N HA 0.475 5.108 4.740 -0.178 0.000 0.266 384 N C -2.900 172.557 175.510 -0.087 0.000 1.373 384 N CA -1.936 50.960 53.050 -0.256 0.000 0.807 384 N CB 0.550 38.719 38.487 -0.530 0.000 1.513 384 N HN -0.268 nan 8.380 nan 0.000 0.505 385 P HA 0.012 nan 4.420 nan 0.000 0.219 385 P C 1.270 178.668 177.300 0.162 0.000 1.146 385 P CA 1.740 64.820 63.100 -0.033 0.000 0.808 385 P CB -0.100 31.550 31.700 -0.085 0.000 0.779 386 G N -1.379 107.572 108.800 0.250 0.000 2.432 386 G HA2 -0.260 3.593 3.960 -0.178 0.000 0.219 386 G HA3 -0.260 3.593 3.960 -0.178 0.000 0.219 386 G C 1.201 176.253 174.900 0.253 0.000 1.135 386 G CA 0.337 45.585 45.100 0.246 0.000 0.767 386 G HN 0.150 nan 8.290 nan 0.000 0.550 387 F N 0.320 120.373 119.950 0.173 0.000 2.102 387 F HA -0.025 4.394 4.527 -0.179 0.000 0.298 387 F C 2.626 178.668 175.800 0.403 0.000 1.105 387 F CA 1.356 59.554 58.000 0.330 0.000 1.239 387 F CB -0.481 38.752 39.000 0.387 0.000 0.991 387 F HN 0.156 nan 8.300 nan 0.000 0.474 388 H N 0.383 119.750 119.070 0.494 0.000 2.353 388 H HA -0.103 4.346 4.556 -0.178 0.000 0.300 388 H C 1.965 177.441 175.328 0.248 0.000 1.090 388 H CA 1.622 57.928 56.048 0.431 0.000 1.327 388 H CB 0.049 29.958 29.762 0.245 0.000 1.383 388 H HN 0.197 nan 8.280 nan 0.000 0.508 389 E N -0.056 120.359 120.200 0.359 0.000 2.347 389 E HA -0.004 4.239 4.350 -0.178 0.000 0.196 389 E C 2.061 178.720 176.600 0.098 0.000 1.008 389 E CA 0.637 57.185 56.400 0.248 0.000 0.852 389 E CB -0.031 29.840 29.700 0.285 0.000 0.783 389 E HN 0.447 nan 8.360 nan 0.000 0.505 390 A N 0.809 123.670 122.820 0.069 0.000 2.030 390 A HA -0.003 4.210 4.320 -0.178 0.000 0.215 390 A C 2.007 179.575 177.584 -0.027 0.000 1.164 390 A CA 0.115 52.128 52.037 -0.041 0.000 0.697 390 A CB -0.058 18.840 19.000 -0.169 0.000 0.827 390 A HN 0.045 nan 8.150 nan 0.000 0.457 391 I N 0.586 121.154 120.570 -0.003 0.000 2.076 391 I HA -0.211 3.852 4.170 -0.178 0.000 0.237 391 I C 2.681 178.736 176.117 -0.103 0.000 1.059 391 I CA 1.829 63.096 61.300 -0.056 0.000 1.317 391 I CB -1.964 35.958 38.000 -0.130 0.000 1.037 391 I HN 0.311 nan 8.210 nan 0.000 0.398 392 G N 0.164 108.885 108.800 -0.131 0.000 2.432 392 G HA2 -0.231 3.622 3.960 -0.178 0.000 0.219 392 G HA3 -0.231 3.622 3.960 -0.178 0.000 0.219 392 G C 1.276 176.090 174.900 -0.143 0.000 1.135 392 G CA 0.772 45.832 45.100 -0.065 0.000 0.767 392 G HN 0.321 nan 8.290 nan 0.000 0.550 393 D N 0.104 120.408 120.400 -0.161 0.000 2.144 393 D HA -0.079 4.454 4.640 -0.178 0.000 0.199 393 D C 2.732 178.801 176.300 -0.385 0.000 0.984 393 D CA 0.495 54.335 54.000 -0.266 0.000 0.834 393 D CB -0.247 40.363 40.800 -0.317 0.000 0.955 393 D HN 0.187 nan 8.370 nan 0.000 0.465 394 V N 0.468 120.194 119.914 -0.314 0.000 2.255 394 V HA -0.245 3.769 4.120 -0.178 0.000 0.247 394 V C 2.385 178.267 176.094 -0.354 0.000 1.051 394 V CA 1.229 63.352 62.300 -0.295 0.000 1.018 394 V CB -0.440 31.321 31.823 -0.103 0.000 0.641 394 V HN 0.158 nan 8.190 nan 0.000 0.445 395 L N 0.437 121.402 121.223 -0.430 0.000 2.042 395 L HA -0.136 4.098 4.340 -0.178 0.000 0.210 395 L C 2.606 178.973 176.870 -0.839 0.000 1.076 395 L CA 2.238 56.643 54.840 -0.726 0.000 0.749 395 L CB -1.141 40.379 42.059 -0.897 0.000 0.893 395 L HN 0.298 nan 8.230 nan 0.000 0.432 396 A N -0.841 121.585 122.820 -0.658 0.000 1.978 396 A HA -0.172 4.042 4.320 -0.178 0.000 0.220 396 A C 2.319 179.593 177.584 -0.515 0.000 1.170 396 A CA 1.461 53.104 52.037 -0.656 0.000 0.636 396 A CB -0.752 17.974 19.000 -0.457 0.000 0.810 396 A HN 0.393 nan 8.150 nan 0.000 0.448 397 L N -0.718 120.204 121.223 -0.501 0.000 2.012 397 L HA -0.202 4.031 4.340 -0.178 0.000 0.210 397 L C 2.894 179.585 176.870 -0.299 0.000 1.073 397 L CA 1.649 56.210 54.840 -0.466 0.000 0.748 397 L CB -0.474 41.117 42.059 -0.780 0.000 0.891 397 L HN 0.344 nan 8.230 nan 0.000 0.431 398 S N -0.731 114.786 115.700 -0.306 0.000 2.368 398 S HA -0.137 4.226 4.470 -0.178 0.000 0.224 398 S C 1.996 176.400 174.600 -0.326 0.000 1.029 398 S CA 1.120 59.198 58.200 -0.202 0.000 0.988 398 S CB -0.130 63.012 63.200 -0.096 0.000 0.838 398 S HN 0.160 nan 8.310 nan 0.000 0.462 399 V N 2.424 122.006 119.914 -0.554 0.000 2.407 399 V HA -0.158 3.855 4.120 -0.178 0.000 0.248 399 V C 2.561 178.569 176.094 -0.143 0.000 1.055 399 V CA 1.931 63.948 62.300 -0.471 0.000 1.049 399 V CB -0.969 30.469 31.823 -0.641 0.000 0.662 399 V HN 0.698 nan 8.190 nan 0.000 0.455 400 S N 0.168 115.780 115.700 -0.146 0.000 2.481 400 S HA -0.080 4.283 4.470 -0.178 0.000 0.231 400 S C 1.224 175.882 174.600 0.096 0.000 0.996 400 S CA 0.693 58.895 58.200 0.005 0.000 0.942 400 S CB -1.033 62.181 63.200 0.022 0.000 0.768 400 S HN 0.749 nan 8.310 nan 0.000 0.520 401 T N 0.348 114.893 114.554 -0.016 0.000 2.928 401 T HA 0.240 4.483 4.350 -0.178 0.000 0.305 401 T C -1.811 172.762 174.700 -0.211 0.000 1.035 401 T CA -1.155 60.787 62.100 -0.264 0.000 1.145 401 T CB 0.551 69.309 68.868 -0.182 0.000 0.963 401 T HN -0.019 nan 8.240 nan 0.000 0.545 402 P HA -0.037 nan 4.420 nan 0.000 0.218 402 P C 1.813 179.068 177.300 -0.075 0.000 1.148 402 P CA 1.838 64.834 63.100 -0.173 0.000 0.822 402 P CB -0.206 31.368 31.700 -0.210 0.000 0.784 403 E N -0.695 119.455 120.200 -0.084 0.000 2.072 403 E HA -0.270 3.973 4.350 -0.178 0.000 0.191 403 E C 1.948 178.576 176.600 0.047 0.000 0.985 403 E CA 1.783 58.178 56.400 -0.009 0.000 0.801 403 E CB -1.868 27.820 29.700 -0.021 0.000 0.750 403 E HN 0.405 nan 8.360 nan 0.000 0.452 404 H N -0.109 118.930 119.070 -0.053 0.000 2.363 404 H HA 0.152 4.601 4.556 -0.178 0.000 0.301 404 H C 2.161 177.457 175.328 -0.055 0.000 1.074 404 H CA 1.495 57.506 56.048 -0.061 0.000 1.354 404 H CB -0.147 29.579 29.762 -0.060 0.000 1.397 404 H HN 0.307 nan 8.280 nan 0.000 0.516 405 L N -0.335 120.891 121.223 0.005 0.000 2.079 405 L HA -0.246 3.987 4.340 -0.178 0.000 0.210 405 L C 2.613 179.459 176.870 -0.040 0.000 1.081 405 L CA 1.697 56.517 54.840 -0.032 0.000 0.752 405 L CB -0.675 41.377 42.059 -0.012 0.000 0.896 405 L HN 0.537 nan 8.230 nan 0.000 0.433 406 H N 1.045 120.057 119.070 -0.096 0.000 2.353 406 H HA -0.163 4.286 4.556 -0.178 0.000 0.300 406 H C 2.153 177.419 175.328 -0.104 0.000 1.090 406 H CA 1.672 57.672 56.048 -0.079 0.000 1.327 406 H CB 0.276 30.000 29.762 -0.062 0.000 1.383 406 H HN 0.282 nan 8.280 nan 0.000 0.508 407 K N 0.581 120.840 120.400 -0.236 0.000 2.103 407 K HA -0.111 4.102 4.320 -0.178 0.000 0.207 407 K C 2.124 178.536 176.600 -0.313 0.000 1.048 407 K CA 1.705 57.805 56.287 -0.312 0.000 0.930 407 K CB -0.080 32.214 32.500 -0.343 0.000 0.716 407 K HN 0.498 nan 8.250 nan 0.000 0.444 408 I N -2.899 117.484 120.570 -0.312 0.000 3.810 408 I HA 0.273 4.336 4.170 -0.178 0.000 0.322 408 I C 0.524 176.639 176.117 -0.002 0.000 1.288 408 I CA 0.181 61.401 61.300 -0.133 0.000 1.143 408 I CB -0.137 37.824 38.000 -0.064 0.000 1.012 408 I HN 0.178 nan 8.210 nan 0.000 0.423 409 G N 2.194 110.939 108.800 -0.092 0.000 2.198 409 G HA2 -0.261 3.592 3.960 -0.178 0.000 0.260 409 G HA3 -0.261 3.592 3.960 -0.178 0.000 0.260 409 G C 0.403 175.324 174.900 0.034 0.000 1.025 409 G CA 0.535 45.608 45.100 -0.044 0.000 0.769 409 G HN 0.525 nan 8.290 nan 0.000 0.507 410 L N -1.674 119.552 121.223 0.006 0.000 2.616 410 L HA 0.569 4.803 4.340 -0.178 0.000 0.229 410 L C 0.561 177.426 176.870 -0.009 0.000 1.110 410 L CA 0.038 54.865 54.840 -0.022 0.000 0.884 410 L CB 0.503 42.491 42.059 -0.118 0.000 1.115 410 L HN 0.276 nan 8.230 nan 0.000 0.481 411 L N -0.720 120.520 121.223 0.030 0.000 2.513 411 L HA 0.433 4.666 4.340 -0.178 0.000 0.261 411 L C -1.248 175.712 176.870 0.150 0.000 0.945 411 L CA -0.479 54.398 54.840 0.062 0.000 0.848 411 L CB 1.933 44.018 42.059 0.043 0.000 1.334 411 L HN -0.181 nan 8.230 nan 0.000 0.407 412 D N 2.986 123.454 120.400 0.112 0.000 2.414 412 D HA 0.281 4.814 4.640 -0.178 0.000 0.242 412 D C 0.461 176.771 176.300 0.018 0.000 1.129 412 D CA 0.181 54.256 54.000 0.125 0.000 0.885 412 D CB 0.708 41.540 40.800 0.053 0.000 1.198 412 D HN 0.736 nan 8.370 nan 0.000 0.437 413 R N 1.467 121.846 120.500 -0.201 0.000 2.485 413 R HA 0.129 4.362 4.340 -0.178 0.000 0.304 413 R C 0.141 176.315 176.300 -0.210 0.000 0.934 413 R CA -0.053 55.743 56.100 -0.506 0.000 1.102 413 R CB -0.676 29.219 30.300 -0.675 0.000 0.906 413 R HN 0.363 nan 8.270 nan 0.000 0.407 414 V N 2.893 122.710 119.914 -0.162 0.000 2.775 414 V HA 0.349 4.362 4.120 -0.178 0.000 0.299 414 V C 1.092 177.130 176.094 -0.094 0.000 1.062 414 V CA 0.486 62.729 62.300 -0.095 0.000 1.063 414 V CB 1.918 33.697 31.823 -0.074 0.000 0.994 414 V HN 1.027 nan 8.190 nan 0.000 0.483 415 T N 4.478 118.991 114.554 -0.068 0.000 2.752 415 T HA 0.075 4.318 4.350 -0.178 0.000 0.295 415 T C 0.383 175.045 174.700 -0.064 0.000 0.923 415 T CA -0.304 61.757 62.100 -0.064 0.000 1.112 415 T CB -0.404 68.432 68.868 -0.054 0.000 0.884 415 T HN 0.784 nan 8.240 nan 0.000 0.525 416 N N 5.008 123.670 118.700 -0.063 0.000 2.971 416 N HA 0.126 4.759 4.740 -0.178 0.000 0.294 416 N C -0.702 174.776 175.510 -0.052 0.000 1.210 416 N CA -0.559 52.457 53.050 -0.056 0.000 1.157 416 N CB -0.126 38.328 38.487 -0.054 0.000 1.450 416 N HN 0.776 nan 8.380 nan 0.000 0.527 417 D N -1.702 118.661 120.400 -0.061 0.000 2.553 417 D HA 0.324 4.858 4.640 -0.178 0.000 0.249 417 D C 0.952 177.201 176.300 -0.085 0.000 1.062 417 D CA -0.707 53.249 54.000 -0.074 0.000 1.085 417 D CB 0.115 40.858 40.800 -0.095 0.000 1.350 417 D HN -0.004 nan 8.370 nan 0.000 0.575 418 T N -0.436 114.056 114.554 -0.103 0.000 2.720 418 T HA -0.146 4.097 4.350 -0.178 0.000 0.268 418 T C 1.267 175.849 174.700 -0.197 0.000 1.037 418 T CA 1.775 63.807 62.100 -0.113 0.000 1.144 418 T CB -0.312 68.500 68.868 -0.093 0.000 0.864 418 T HN 0.459 nan 8.240 nan 0.000 0.444 419 E N 1.227 121.227 120.200 -0.333 0.000 2.077 419 E HA -0.057 4.186 4.350 -0.178 0.000 0.193 419 E C 2.584 179.055 176.600 -0.215 0.000 0.989 419 E CA 1.222 57.274 56.400 -0.581 0.000 0.800 419 E CB -0.334 28.838 29.700 -0.881 0.000 0.746 419 E HN 0.325 nan 8.360 nan 0.000 0.452 420 S N 0.597 116.226 115.700 -0.118 0.000 2.383 420 S HA -0.147 4.216 4.470 -0.178 0.000 0.227 420 S C 1.468 176.095 174.600 0.045 0.000 1.026 420 S CA 1.153 59.350 58.200 -0.007 0.000 0.981 420 S CB -0.252 62.934 63.200 -0.022 0.000 0.818 420 S HN 0.227 nan 8.310 nan 0.000 0.472 421 D N 1.391 121.797 120.400 0.010 0.000 2.097 421 D HA -0.045 4.488 4.640 -0.178 0.000 0.195 421 D C 1.820 178.124 176.300 0.006 0.000 0.989 421 D CA 0.755 54.788 54.000 0.054 0.000 0.827 421 D CB -0.161 40.661 40.800 0.037 0.000 0.966 421 D HN 0.183 nan 8.370 nan 0.000 0.456 422 I N 0.856 121.371 120.570 -0.092 0.000 2.252 422 I HA -0.207 3.856 4.170 -0.178 0.000 0.245 422 I C 1.899 177.962 176.117 -0.090 0.000 1.102 422 I CA 0.935 62.101 61.300 -0.223 0.000 1.385 422 I CB -1.131 36.567 38.000 -0.503 0.000 1.064 422 I HN 0.042 nan 8.210 nan 0.000 0.414 423 N N 0.581 119.328 118.700 0.079 0.000 2.061 423 N HA -0.258 4.375 4.740 -0.178 0.000 0.193 423 N C 1.876 177.536 175.510 0.251 0.000 1.030 423 N CA 1.368 54.554 53.050 0.227 0.000 0.856 423 N CB -0.645 38.015 38.487 0.289 0.000 1.023 423 N HN 0.377 nan 8.380 nan 0.000 0.424 424 Y N 1.089 121.425 120.300 0.061 0.000 2.163 424 Y HA 0.012 4.456 4.550 -0.177 0.000 0.288 424 Y C 2.086 178.005 175.900 0.033 0.000 1.136 424 Y CA 1.279 59.393 58.100 0.023 0.000 1.147 424 Y CB -0.490 37.982 38.460 0.019 0.000 0.987 424 Y HN -0.001 nan 8.280 nan 0.000 0.509 425 L N -0.635 120.545 121.223 -0.072 0.000 2.141 425 L HA -0.181 4.052 4.340 -0.178 0.000 0.209 425 L C 2.357 179.261 176.870 0.057 0.000 1.094 425 L CA 0.912 55.695 54.840 -0.094 0.000 0.763 425 L CB -0.592 41.404 42.059 -0.104 0.000 0.908 425 L HN 0.322 nan 8.230 nan 0.000 0.437 426 L N 0.297 121.546 121.223 0.042 0.000 2.017 426 L HA -0.226 4.007 4.340 -0.178 0.000 0.208 426 L C 2.561 179.521 176.870 0.149 0.000 1.073 426 L CA 1.824 56.733 54.840 0.116 0.000 0.745 426 L CB -0.530 41.613 42.059 0.140 0.000 0.894 426 L HN 0.114 nan 8.230 nan 0.000 0.432 427 K N -1.238 119.192 120.400 0.051 0.000 2.057 427 K HA -0.192 4.021 4.320 -0.178 0.000 0.207 427 K C 1.980 178.513 176.600 -0.112 0.000 1.049 427 K CA 1.697 57.873 56.287 -0.184 0.000 0.931 427 K CB -0.054 32.039 32.500 -0.679 0.000 0.714 427 K HN 0.255 nan 8.250 nan 0.000 0.440 428 M N 0.310 119.828 119.600 -0.137 0.000 2.229 428 M HA -0.052 4.321 4.480 -0.178 0.000 0.264 428 M C 2.322 178.776 176.300 0.255 0.000 1.063 428 M CA 1.368 56.680 55.300 0.020 0.000 1.114 428 M CB -1.094 31.481 32.600 -0.041 0.000 1.387 428 M HN 0.250 nan 8.290 nan 0.000 0.420 429 A N 0.390 123.347 122.820 0.228 0.000 1.933 429 A HA -0.112 4.101 4.320 -0.178 0.000 0.218 429 A C 2.299 179.865 177.584 -0.030 0.000 1.175 429 A CA 1.240 53.236 52.037 -0.069 0.000 0.628 429 A CB -0.914 18.021 19.000 -0.107 0.000 0.814 429 A HN 0.478 nan 8.150 nan 0.000 0.444 430 L N -0.986 120.286 121.223 0.083 0.000 2.131 430 L HA -0.172 4.061 4.340 -0.178 0.000 0.210 430 L C 2.589 179.521 176.870 0.103 0.000 1.092 430 L CA 1.707 56.633 54.840 0.143 0.000 0.759 430 L CB -0.357 41.874 42.059 0.287 0.000 0.903 430 L HN 0.586 nan 8.230 nan 0.000 0.435 431 E N -0.138 120.123 120.200 0.103 0.000 2.060 431 E HA -0.133 4.110 4.350 -0.178 0.000 0.189 431 E C 1.963 178.700 176.600 0.229 0.000 0.974 431 E CA 0.657 57.135 56.400 0.131 0.000 0.808 431 E CB 0.384 30.126 29.700 0.069 0.000 0.768 431 E HN 0.258 nan 8.360 nan 0.000 0.453 432 K N 0.262 120.801 120.400 0.232 0.000 2.172 432 K HA 0.075 4.288 4.320 -0.178 0.000 0.203 432 K C 2.188 178.946 176.600 0.263 0.000 1.040 432 K CA 0.187 56.716 56.287 0.404 0.000 0.974 432 K CB -0.047 32.709 32.500 0.427 0.000 0.857 432 K HN 0.170 nan 8.250 nan 0.000 0.464 433 I N 1.816 122.356 120.570 -0.051 0.000 2.252 433 I HA -0.130 3.934 4.170 -0.178 0.000 0.245 433 I C 2.414 178.504 176.117 -0.045 0.000 1.102 433 I CA 1.119 62.332 61.300 -0.144 0.000 1.385 433 I CB -1.392 36.395 38.000 -0.356 0.000 1.064 433 I HN -0.009 nan 8.210 nan 0.000 0.414 434 A N 0.319 123.031 122.820 -0.179 0.000 2.019 434 A HA -0.246 3.967 4.320 -0.178 0.000 0.219 434 A C 2.251 179.701 177.584 -0.222 0.000 1.164 434 A CA 1.206 52.976 52.037 -0.444 0.000 0.644 434 A CB -0.986 17.258 19.000 -1.261 0.000 0.805 434 A HN 0.405 nan 8.150 nan 0.000 0.449 435 F N 0.438 120.277 119.950 -0.185 0.000 2.259 435 F HA -0.033 4.391 4.527 -0.171 0.000 0.298 435 F C 1.761 177.493 175.800 -0.114 0.000 1.088 435 F CA 1.065 58.965 58.000 -0.167 0.000 1.358 435 F CB -0.221 38.550 39.000 -0.381 0.000 1.040 435 F HN 0.143 nan 8.300 nan 0.000 0.505 436 L N 1.046 122.246 121.223 -0.038 0.000 2.010 436 L HA -0.261 3.972 4.340 -0.178 0.000 0.219 436 L C -0.320 176.581 176.870 0.053 0.000 1.077 436 L CA 2.007 56.906 54.840 0.097 0.000 0.773 436 L CB -2.422 39.742 42.059 0.174 0.000 0.892 436 L HN 0.140 nan 8.230 nan 0.000 0.436 437 P HA -0.227 nan 4.420 nan 0.000 0.217 437 P C 1.649 178.742 177.300 -0.346 0.000 1.150 437 P CA 1.577 64.567 63.100 -0.183 0.000 0.832 437 P CB -0.150 31.359 31.700 -0.318 0.000 0.787 438 F N 1.550 121.189 119.950 -0.518 0.000 2.113 438 F HA -0.000 4.423 4.527 -0.172 0.000 0.297 438 F C 2.437 177.884 175.800 -0.588 0.000 1.103 438 F CA 2.029 59.692 58.000 -0.561 0.000 1.248 438 F CB -1.145 37.550 39.000 -0.508 0.000 0.999 438 F HN -0.105 nan 8.300 nan 0.000 0.475 439 G N -1.271 107.065 108.800 -0.775 0.000 2.450 439 G HA2 -0.349 3.504 3.960 -0.178 0.000 0.220 439 G HA3 -0.349 3.504 3.960 -0.178 0.000 0.220 439 G C 1.546 176.364 174.900 -0.136 0.000 1.130 439 G CA 1.096 45.996 45.100 -0.334 0.000 0.760 439 G HN 0.469 nan 8.290 nan 0.000 0.557 440 Y N 1.612 121.551 120.300 -0.601 0.000 2.269 440 Y HA 0.061 4.518 4.550 -0.155 0.000 0.294 440 Y C 2.502 177.851 175.900 -0.920 0.000 1.120 440 Y CA 0.945 58.452 58.100 -0.988 0.000 1.159 440 Y CB -0.426 37.156 38.460 -1.464 0.000 1.024 440 Y HN 0.192 nan 8.280 nan 0.000 0.532 441 L N -1.735 118.903 121.223 -0.975 0.000 2.156 441 L HA 0.036 4.269 4.340 -0.178 0.000 0.208 441 L C 1.982 178.421 176.870 -0.718 0.000 1.095 441 L CA 1.443 55.709 54.840 -0.957 0.000 0.770 441 L CB -1.602 39.980 42.059 -0.794 0.000 0.914 441 L HN -0.088 nan 8.230 nan 0.000 0.439 442 V N 0.797 120.265 119.914 -0.743 0.000 2.287 442 V HA -0.265 3.749 4.120 -0.178 0.000 0.248 442 V C 2.245 178.159 176.094 -0.301 0.000 1.053 442 V CA 2.233 64.200 62.300 -0.555 0.000 1.027 442 V CB -0.829 30.448 31.823 -0.909 0.000 0.646 442 V HN 0.465 nan 8.190 nan 0.000 0.447 443 D N -0.998 119.133 120.400 -0.447 0.000 2.277 443 D HA -0.080 4.453 4.640 -0.178 0.000 0.208 443 D C 2.347 177.932 176.300 -1.192 0.000 0.962 443 D CA 0.539 54.108 54.000 -0.718 0.000 0.865 443 D CB -0.119 40.233 40.800 -0.747 0.000 0.939 443 D HN 0.487 nan 8.370 nan 0.000 0.510 444 Q N -0.799 118.439 119.800 -0.936 0.000 2.096 444 Q HA -0.190 4.043 4.340 -0.178 0.000 0.204 444 Q C 1.943 177.825 176.000 -0.196 0.000 0.982 444 Q CA 1.203 56.680 55.803 -0.543 0.000 0.850 444 Q CB -0.201 28.222 28.738 -0.526 0.000 0.901 444 Q HN 0.410 nan 8.270 nan 0.000 0.422 445 W N 1.514 122.636 121.300 -0.298 0.000 2.333 445 W HA -0.180 4.365 4.660 -0.191 0.000 0.316 445 W C 2.192 178.650 176.519 -0.102 0.000 1.215 445 W CA 1.482 58.758 57.345 -0.116 0.000 1.278 445 W CB -0.106 29.360 29.460 0.010 0.000 1.154 445 W HN -0.057 nan 8.180 nan 0.000 0.486 446 R N -0.808 119.681 120.500 -0.017 0.000 2.096 446 R HA -0.194 4.039 4.340 -0.178 0.000 0.235 446 R C 2.043 178.266 176.300 -0.127 0.000 1.127 446 R CA 1.804 57.781 56.100 -0.205 0.000 0.968 446 R CB -0.971 29.399 30.300 0.117 0.000 0.861 446 R HN 0.254 nan 8.270 nan 0.000 0.440 447 W N -0.202 121.099 121.300 0.002 0.000 2.363 447 W HA 0.010 4.549 4.660 -0.202 0.000 0.296 447 W C 2.175 178.658 176.519 -0.060 0.000 1.212 447 W CA 1.035 58.406 57.345 0.043 0.000 1.260 447 W CB -1.236 28.253 29.460 0.047 0.000 1.131 447 W HN 0.220 nan 8.180 nan 0.000 0.530 448 G N 0.228 109.055 108.800 0.044 0.000 2.408 448 G HA2 -0.155 3.698 3.960 -0.178 0.000 0.217 448 G HA3 -0.155 3.698 3.960 -0.178 0.000 0.217 448 G C 1.616 176.407 174.900 -0.181 0.000 1.150 448 G CA 1.455 46.512 45.100 -0.073 0.000 0.776 448 G HN 0.110 nan 8.290 nan 0.000 0.542 449 V N 0.324 119.985 119.914 -0.422 0.000 2.307 449 V HA -0.087 3.927 4.120 -0.178 0.000 0.245 449 V C 2.478 178.424 176.094 -0.246 0.000 1.045 449 V CA 1.528 63.556 62.300 -0.454 0.000 1.024 449 V CB -0.713 30.584 31.823 -0.876 0.000 0.651 449 V HN 0.394 nan 8.190 nan 0.000 0.449 450 F N 1.326 121.189 119.950 -0.145 0.000 2.161 450 F HA -0.219 4.200 4.527 -0.179 0.000 0.300 450 F C 2.730 178.471 175.800 -0.098 0.000 1.089 450 F CA 1.514 59.429 58.000 -0.141 0.000 1.282 450 F CB -0.429 38.453 39.000 -0.197 0.000 1.010 450 F HN 0.306 nan 8.300 nan 0.000 0.485 451 S N -0.619 115.149 115.700 0.112 0.000 2.489 451 S HA 0.189 4.552 4.470 -0.178 0.000 0.228 451 S C 1.836 176.454 174.600 0.029 0.000 0.995 451 S CA 0.652 58.886 58.200 0.057 0.000 0.934 451 S CB 0.034 63.264 63.200 0.050 0.000 0.771 451 S HN 0.607 nan 8.310 nan 0.000 0.522 452 G N 1.776 110.585 108.800 0.014 0.000 2.195 452 G HA2 -0.337 3.516 3.960 -0.178 0.000 0.246 452 G HA3 -0.337 3.516 3.960 -0.178 0.000 0.246 452 G C 0.874 175.778 174.900 0.007 0.000 0.984 452 G CA 0.395 45.500 45.100 0.008 0.000 0.633 452 G HN 0.561 nan 8.290 nan 0.000 0.525 453 R N 0.479 120.981 120.500 0.003 0.000 2.105 453 R HA -0.010 4.223 4.340 -0.178 0.000 0.239 453 R C 0.312 176.621 176.300 0.015 0.000 1.135 453 R CA 1.866 57.970 56.100 0.007 0.000 0.967 453 R CB -0.217 30.086 30.300 0.005 0.000 0.861 453 R HN 0.345 nan 8.270 nan 0.000 0.442 454 T N 4.030 118.580 114.554 -0.007 0.000 3.042 454 T HA 0.335 4.578 4.350 -0.178 0.000 0.356 454 T C -2.523 172.236 174.700 0.097 0.000 1.233 454 T CA -1.491 60.630 62.100 0.036 0.000 1.038 454 T CB 1.794 70.614 68.868 -0.081 0.000 1.089 454 T HN 0.213 nan 8.240 nan 0.000 0.531 455 P HA 0.292 nan 4.420 nan 0.000 0.276 455 P C -2.163 175.095 177.300 -0.071 0.000 1.261 455 P CA -1.743 61.377 63.100 0.033 0.000 0.800 455 P CB 0.542 32.236 31.700 -0.010 0.000 1.066 456 P HA -0.207 nan 4.420 nan 0.000 0.217 456 P C 1.653 178.667 177.300 -0.477 0.000 1.151 456 P CA 2.163 64.666 63.100 -0.995 0.000 0.849 456 P CB -0.499 30.824 31.700 -0.629 0.000 0.787 457 S N -1.470 114.113 115.700 -0.194 0.000 2.507 457 S HA -0.064 4.299 4.470 -0.178 0.000 0.235 457 S C 1.533 176.165 174.600 0.053 0.000 0.988 457 S CA 0.718 58.877 58.200 -0.068 0.000 0.944 457 S CB -0.629 62.537 63.200 -0.056 0.000 0.762 457 S HN 0.180 nan 8.310 nan 0.000 0.526 458 R N -1.096 119.494 120.500 0.150 0.000 2.596 458 R HA 0.350 4.583 4.340 -0.178 0.000 0.369 458 R C 0.620 177.269 176.300 0.580 0.000 1.042 458 R CA -0.269 56.053 56.100 0.370 0.000 1.120 458 R CB -0.040 30.488 30.300 0.380 0.000 1.353 458 R HN 0.480 nan 8.270 nan 0.000 0.564 459 Y N 0.882 121.403 120.300 0.369 0.000 2.053 459 Y HA -0.350 4.089 4.550 -0.186 0.000 0.277 459 Y C 2.077 178.405 175.900 0.713 0.000 1.159 459 Y CA 1.159 59.610 58.100 0.586 0.000 1.125 459 Y CB 0.041 38.780 38.460 0.465 0.000 0.969 459 Y HN 0.147 nan 8.280 nan 0.000 0.492 460 N N -0.214 118.927 118.700 0.736 0.000 2.250 460 N HA -0.144 4.489 4.740 -0.178 0.000 0.181 460 N C 1.522 177.479 175.510 0.746 0.000 1.017 460 N CA 0.677 54.135 53.050 0.679 0.000 0.866 460 N CB -0.547 38.319 38.487 0.631 0.000 0.985 460 N HN 0.281 nan 8.380 nan 0.000 0.429 461 F N 1.313 121.566 119.950 0.504 0.000 2.065 461 F HA -0.272 4.162 4.527 -0.156 0.000 0.298 461 F C 1.661 177.744 175.800 0.471 0.000 1.112 461 F CA 1.687 59.947 58.000 0.432 0.000 1.212 461 F CB -0.053 39.128 39.000 0.301 0.000 0.975 461 F HN 0.033 nan 8.300 nan 0.000 0.476 462 D N -0.220 120.427 120.400 0.412 0.000 2.183 462 D HA -0.208 4.326 4.640 -0.178 0.000 0.203 462 D C 1.916 178.499 176.300 0.471 0.000 0.969 462 D CA 0.984 55.170 54.000 0.310 0.000 0.842 462 D CB -0.777 40.236 40.800 0.355 0.000 0.957 462 D HN 0.562 nan 8.370 nan 0.000 0.484 463 W N 0.371 121.859 121.300 0.314 0.000 2.333 463 W HA -0.228 4.324 4.660 -0.180 0.000 0.316 463 W C 1.526 177.930 176.519 -0.191 0.000 1.215 463 W CA 0.976 58.219 57.345 -0.170 0.000 1.278 463 W CB -0.761 28.358 29.460 -0.568 0.000 1.154 463 W HN 0.073 nan 8.180 nan 0.000 0.486 464 W N -0.572 120.826 121.300 0.164 0.000 2.467 464 W HA -0.184 4.366 4.660 -0.184 0.000 0.275 464 W C 2.376 178.878 176.519 -0.028 0.000 1.239 464 W CA 1.216 58.580 57.345 0.031 0.000 1.266 464 W CB -1.179 28.400 29.460 0.198 0.000 1.112 464 W HN 0.007 nan 8.180 nan 0.000 0.576 465 Y N 0.730 121.067 120.300 0.062 0.000 2.128 465 Y HA -0.277 4.277 4.550 0.006 0.000 0.284 465 Y C 2.068 177.925 175.900 -0.072 0.000 1.154 465 Y CA 1.974 60.039 58.100 -0.058 0.000 1.149 465 Y CB -0.658 37.674 38.460 -0.213 0.000 0.976 465 Y HN -0.145 nan 8.280 nan 0.000 0.505 466 L N -0.188 120.999 121.223 -0.059 0.000 2.056 466 L HA -0.180 4.053 4.340 -0.178 0.000 0.207 466 L C 2.682 179.393 176.870 -0.264 0.000 1.078 466 L CA 1.033 55.779 54.840 -0.155 0.000 0.749 466 L CB -0.501 41.502 42.059 -0.094 0.000 0.901 466 L HN 0.122 nan 8.230 nan 0.000 0.433 467 R N -0.493 119.752 120.500 -0.424 0.000 2.081 467 R HA -0.113 4.120 4.340 -0.178 0.000 0.235 467 R C 2.198 178.417 176.300 -0.134 0.000 1.131 467 R CA 1.882 57.765 56.100 -0.362 0.000 0.960 467 R CB -1.050 28.917 30.300 -0.555 0.000 0.856 467 R HN 0.363 nan 8.270 nan 0.000 0.436 468 T N 1.238 115.739 114.554 -0.087 0.000 2.770 468 T HA -0.093 4.150 4.350 -0.178 0.000 0.263 468 T C 1.824 176.473 174.700 -0.085 0.000 1.039 468 T CA 1.210 63.243 62.100 -0.111 0.000 1.142 468 T CB -0.027 68.837 68.868 -0.007 0.000 0.868 468 T HN 0.287 nan 8.240 nan 0.000 0.435 469 K N -0.128 120.122 120.400 -0.249 0.000 2.044 469 K HA -0.161 4.052 4.320 -0.178 0.000 0.210 469 K C 1.869 178.378 176.600 -0.151 0.000 1.049 469 K CA 1.680 57.767 56.287 -0.333 0.000 0.927 469 K CB -0.180 31.815 32.500 -0.842 0.000 0.713 469 K HN 0.445 nan 8.250 nan 0.000 0.443 470 Y N -0.174 120.101 120.300 -0.041 0.000 2.314 470 Y HA 0.053 4.483 4.550 -0.200 0.000 0.294 470 Y C 2.368 178.290 175.900 0.036 0.000 1.139 470 Y CA 0.552 58.644 58.100 -0.013 0.000 1.162 470 Y CB 0.265 38.562 38.460 -0.272 0.000 1.121 470 Y HN 0.056 nan 8.280 nan 0.000 0.529 471 Q N -0.365 119.469 119.800 0.056 0.000 2.398 471 Q HA 0.122 4.355 4.340 -0.178 0.000 0.204 471 Q C 1.076 177.017 176.000 -0.098 0.000 0.932 471 Q CA 0.568 56.409 55.803 0.063 0.000 0.916 471 Q CB 0.351 29.154 28.738 0.108 0.000 1.024 471 Q HN 0.601 nan 8.270 nan 0.000 0.504 472 G N 2.473 110.805 108.800 -0.779 0.000 2.295 472 G HA2 -0.256 3.597 3.960 -0.178 0.000 0.287 472 G HA3 -0.256 3.597 3.960 -0.178 0.000 0.287 472 G C 0.072 174.604 174.900 -0.612 0.000 1.055 472 G CA 0.697 44.656 45.100 -1.903 0.000 0.922 472 G HN 0.467 nan 8.290 nan 0.000 0.503 473 I N -2.947 117.467 120.570 -0.260 0.000 2.910 473 I HA 0.899 4.962 4.170 -0.178 0.000 0.310 473 I C 0.563 176.672 176.117 -0.014 0.000 1.043 473 I CA -1.276 59.999 61.300 -0.042 0.000 1.053 473 I CB 2.178 40.240 38.000 0.104 0.000 1.242 473 I HN 0.485 nan 8.210 nan 0.000 0.452 474 C N 1.160 120.415 119.300 -0.075 0.000 2.898 474 C HA 0.749 5.102 4.460 -0.178 0.000 0.304 474 C C -2.745 171.966 174.990 -0.464 0.000 1.237 474 C CA -2.045 56.818 59.018 -0.259 0.000 1.529 474 C CB 1.666 29.154 27.740 -0.420 0.000 2.021 474 C HN 0.662 nan 8.230 nan 0.000 0.474 475 P HA 0.235 nan 4.420 nan 0.000 0.271 475 P C -2.098 174.774 177.300 -0.715 0.000 1.216 475 P CA -0.752 61.735 63.100 -1.022 0.000 0.771 475 P CB 0.530 31.526 31.700 -1.173 0.000 0.864 476 P HA -0.012 nan 4.420 nan 0.000 0.245 476 P C 0.248 177.219 177.300 -0.548 0.000 1.206 476 P CA 0.667 63.320 63.100 -0.745 0.000 0.781 476 P CB 0.319 31.251 31.700 -1.280 0.000 0.994 477 V N -4.803 114.819 119.914 -0.486 0.000 3.102 477 V HA 0.561 4.574 4.120 -0.178 0.000 0.312 477 V C -0.182 175.749 176.094 -0.272 0.000 1.135 477 V CA -0.933 61.191 62.300 -0.293 0.000 1.022 477 V CB 1.007 32.730 31.823 -0.167 0.000 1.056 477 V HN -0.275 nan 8.190 nan 0.000 0.436 478 T N 3.800 118.229 114.554 -0.208 0.000 2.928 478 T HA 0.414 4.657 4.350 -0.178 0.000 0.305 478 T C -0.090 174.544 174.700 -0.110 0.000 1.035 478 T CA -0.140 61.844 62.100 -0.193 0.000 1.145 478 T CB -0.051 68.741 68.868 -0.126 0.000 0.963 478 T HN 0.703 nan 8.240 nan 0.000 0.545 479 R N 2.706 123.160 120.500 -0.078 0.000 2.740 479 R HA 0.576 4.809 4.340 -0.178 0.000 0.282 479 R C -0.141 176.330 176.300 0.285 0.000 0.969 479 R CA -1.022 55.142 56.100 0.107 0.000 0.918 479 R CB 1.457 31.799 30.300 0.070 0.000 1.175 479 R HN 0.848 nan 8.270 nan 0.000 0.464 480 N N -1.204 117.806 118.700 0.516 0.000 3.167 480 N HA 0.187 4.820 4.740 -0.178 0.000 0.323 480 N C 0.111 175.779 175.510 0.263 0.000 1.478 480 N CA -0.709 52.506 53.050 0.275 0.000 0.753 480 N CB 0.624 39.190 38.487 0.131 0.000 1.721 480 N HN 0.227 nan 8.380 nan 0.000 0.618 481 E N -0.781 119.514 120.200 0.158 0.000 2.511 481 E HA 0.025 4.268 4.350 -0.178 0.000 0.196 481 E C 0.486 177.128 176.600 0.071 0.000 1.066 481 E CA 0.484 56.977 56.400 0.154 0.000 0.871 481 E CB -0.496 29.269 29.700 0.109 0.000 0.863 481 E HN 0.658 nan 8.360 nan 0.000 0.520 482 T N -0.192 114.338 114.554 -0.040 0.000 2.904 482 T HA -0.063 4.180 4.350 -0.178 0.000 0.267 482 T C 0.544 175.194 174.700 -0.085 0.000 1.059 482 T CA 0.655 62.684 62.100 -0.119 0.000 1.137 482 T CB -0.140 68.590 68.868 -0.230 0.000 0.879 482 T HN 0.315 nan 8.240 nan 0.000 0.467 483 H N -0.264 118.901 119.070 0.158 0.000 2.707 483 H HA 0.314 4.762 4.556 -0.180 0.000 0.359 483 H C -0.724 174.782 175.328 0.297 0.000 1.113 483 H CA -0.415 55.749 56.048 0.193 0.000 1.422 483 H CB 0.363 30.249 29.762 0.207 0.000 1.443 483 H HN 0.066 nan 8.280 nan 0.000 0.591 484 F N 3.092 123.136 119.950 0.155 0.000 2.660 484 F HA 0.231 4.647 4.527 -0.185 0.000 0.352 484 F C -0.164 175.520 175.800 -0.194 0.000 1.257 484 F CA -1.276 56.736 58.000 0.020 0.000 1.200 484 F CB 0.318 39.337 39.000 0.031 0.000 1.473 484 F HN 0.547 nan 8.300 nan 0.000 0.561 485 D N 2.175 122.397 120.400 -0.297 0.000 2.219 485 D HA -0.063 4.470 4.640 -0.178 0.000 0.205 485 D C 2.202 177.758 176.300 -1.240 0.000 0.970 485 D CA 1.160 54.892 54.000 -0.446 0.000 0.851 485 D CB 0.169 41.029 40.800 0.100 0.000 0.943 485 D HN 0.541 nan 8.370 nan 0.000 0.488 486 A N 0.921 122.433 122.820 -2.179 0.000 1.972 486 A HA -0.052 4.161 4.320 -0.178 0.000 0.219 486 A C 2.347 178.861 177.584 -1.784 0.000 1.169 486 A CA 1.843 52.267 52.037 -2.688 0.000 0.635 486 A CB -0.922 16.226 19.000 -3.087 0.000 0.810 486 A HN 0.303 nan 8.150 nan 0.000 0.446 487 G N -1.037 106.535 108.800 -2.047 0.000 2.534 487 G HA2 0.162 4.015 3.960 -0.178 0.000 0.217 487 G HA3 0.162 4.015 3.960 -0.178 0.000 0.217 487 G C 1.306 175.864 174.900 -0.570 0.000 1.128 487 G CA 0.879 45.185 45.100 -1.323 0.000 0.784 487 G HN 0.786 nan 8.290 nan 0.000 0.542 488 A N -0.627 121.881 122.820 -0.519 0.000 2.238 488 A HA 0.367 4.580 4.320 -0.178 0.000 0.208 488 A C 1.128 179.026 177.584 0.523 0.000 1.177 488 A CA 0.424 52.378 52.037 -0.138 0.000 0.804 488 A CB -0.063 18.564 19.000 -0.622 0.000 0.823 488 A HN 0.209 nan 8.150 nan 0.000 0.482 489 K N -0.634 119.819 120.400 0.089 0.000 2.265 489 K HA 0.425 4.639 4.320 -0.178 0.000 0.267 489 K C 0.239 176.663 176.600 -0.294 0.000 0.994 489 K CA -1.046 55.194 56.287 -0.079 0.000 0.860 489 K CB 0.160 32.488 32.500 -0.287 0.000 1.099 489 K HN 0.090 nan 8.250 nan 0.000 0.448 490 F N 4.600 124.199 119.950 -0.584 0.000 2.063 490 F HA -0.366 4.053 4.527 -0.178 0.000 0.297 490 F C 1.426 176.767 175.800 -0.764 0.000 1.099 490 F CA 2.176 59.483 58.000 -1.156 0.000 1.220 490 F CB -0.003 38.374 39.000 -1.038 0.000 0.972 490 F HN 0.791 nan 8.300 nan 0.000 0.487 491 H N -1.001 117.825 119.070 -0.407 0.000 2.518 491 H HA -0.082 4.368 4.556 -0.177 0.000 0.289 491 H C 2.344 177.508 175.328 -0.273 0.000 1.051 491 H CA 1.240 57.130 56.048 -0.263 0.000 1.280 491 H CB -0.400 29.475 29.762 0.188 0.000 1.380 491 H HN 0.311 nan 8.280 nan 0.000 0.566 492 V N 2.026 121.786 119.914 -0.256 0.000 2.239 492 V HA -0.133 3.880 4.120 -0.178 0.000 0.242 492 V C -0.352 175.640 176.094 -0.170 0.000 1.038 492 V CA 1.582 63.755 62.300 -0.212 0.000 1.002 492 V CB -1.241 30.287 31.823 -0.491 0.000 0.641 492 V HN 0.365 nan 8.190 nan 0.000 0.449 493 P HA -0.124 nan 4.420 nan 0.000 0.220 493 P C 0.882 177.981 177.300 -0.334 0.000 1.148 493 P CA 1.289 64.264 63.100 -0.208 0.000 0.803 493 P CB -0.182 31.399 31.700 -0.197 0.000 0.782 494 N N -0.261 118.102 118.700 -0.561 0.000 2.383 494 N HA 0.050 4.683 4.740 -0.178 0.000 0.192 494 N C 0.052 175.374 175.510 -0.313 0.000 1.141 494 N CA 0.034 52.737 53.050 -0.579 0.000 0.851 494 N CB 0.220 37.995 38.487 -1.187 0.000 0.976 494 N HN -0.170 nan 8.380 nan 0.000 0.465 495 V N 1.132 120.946 119.914 -0.166 0.000 5.691 495 V HA -0.227 3.786 4.120 -0.178 0.000 0.288 495 V C 0.209 176.409 176.094 0.176 0.000 0.615 495 V CA 1.223 63.583 62.300 0.101 0.000 0.619 495 V CB -2.298 29.483 31.823 -0.069 0.000 0.296 495 V HN 0.345 nan 8.190 nan 0.000 0.834 496 T N 1.555 116.176 114.554 0.111 0.000 2.848 496 T HA 0.641 4.885 4.350 -0.178 0.000 0.285 496 T C -2.530 172.225 174.700 0.093 0.000 0.995 496 T CA -1.853 60.279 62.100 0.054 0.000 0.970 496 T CB 2.378 71.299 68.868 0.089 0.000 0.976 496 T HN 0.214 nan 8.240 nan 0.000 0.441 497 P HA 0.215 nan 4.420 nan 0.000 0.272 497 P C -0.741 176.692 177.300 0.220 0.000 1.240 497 P CA -0.074 62.965 63.100 -0.100 0.000 0.791 497 P CB 0.490 32.018 31.700 -0.287 0.000 0.978 498 Y N 0.478 120.867 120.300 0.148 0.000 2.467 498 Y HA 0.194 4.637 4.550 -0.178 0.000 0.259 498 Y C 1.825 177.838 175.900 0.187 0.000 1.084 498 Y CA 0.102 58.308 58.100 0.175 0.000 1.275 498 Y CB -0.104 38.385 38.460 0.049 0.000 1.208 498 Y HN 0.119 nan 8.280 nan 0.000 0.511 499 I N 1.732 122.455 120.570 0.256 0.000 2.567 499 I HA -0.265 3.798 4.170 -0.178 0.000 0.257 499 I C 2.450 178.721 176.117 0.256 0.000 1.184 499 I CA 1.378 62.835 61.300 0.261 0.000 1.451 499 I CB -0.389 37.833 38.000 0.370 0.000 1.089 499 I HN 0.227 nan 8.210 nan 0.000 0.441 500 R N -0.539 120.058 120.500 0.162 0.000 2.117 500 R HA -0.253 3.981 4.340 -0.178 0.000 0.243 500 R C 2.033 178.326 176.300 -0.011 0.000 1.143 500 R CA 2.180 58.328 56.100 0.079 0.000 0.968 500 R CB -1.450 28.770 30.300 -0.133 0.000 0.863 500 R HN 0.387 nan 8.270 nan 0.000 0.444 501 Y N -0.019 120.347 120.300 0.110 0.000 2.220 501 Y HA -0.104 4.337 4.550 -0.181 0.000 0.291 501 Y C 2.305 178.412 175.900 0.345 0.000 1.129 501 Y CA 0.920 59.111 58.100 0.152 0.000 1.161 501 Y CB -0.389 38.005 38.460 -0.110 0.000 0.997 501 Y HN -0.013 nan 8.280 nan 0.000 0.522 502 F N 0.331 120.464 119.950 0.305 0.000 2.095 502 F HA -0.239 4.190 4.527 -0.163 0.000 0.298 502 F C 2.165 178.086 175.800 0.202 0.000 1.104 502 F CA 1.319 59.449 58.000 0.216 0.000 1.232 502 F CB -0.740 38.307 39.000 0.078 0.000 0.987 502 F HN -0.203 nan 8.300 nan 0.000 0.475 503 V N -0.389 119.643 119.914 0.198 0.000 2.287 503 V HA -0.337 3.676 4.120 -0.178 0.000 0.248 503 V C 2.700 178.784 176.094 -0.016 0.000 1.053 503 V CA 2.135 64.467 62.300 0.054 0.000 1.027 503 V CB -1.184 30.740 31.823 0.168 0.000 0.646 503 V HN 0.561 nan 8.190 nan 0.000 0.447 504 S N -0.594 115.166 115.700 0.099 0.000 2.383 504 S HA -0.202 4.161 4.470 -0.178 0.000 0.229 504 S C 1.831 176.446 174.600 0.025 0.000 1.030 504 S CA 1.715 59.948 58.200 0.055 0.000 1.002 504 S CB -0.430 62.893 63.200 0.205 0.000 0.829 504 S HN 0.495 nan 8.310 nan 0.000 0.467 505 F N 1.053 120.957 119.950 -0.075 0.000 2.325 505 F HA 0.123 4.546 4.527 -0.174 0.000 0.299 505 F C 2.222 178.017 175.800 -0.009 0.000 1.090 505 F CA 0.444 58.429 58.000 -0.025 0.000 1.392 505 F CB -0.323 38.728 39.000 0.085 0.000 1.053 505 F HN 0.097 nan 8.300 nan 0.000 0.521 506 V N -0.956 118.937 119.914 -0.035 0.000 2.446 506 V HA -0.176 3.837 4.120 -0.178 0.000 0.244 506 V C 2.210 178.247 176.094 -0.095 0.000 1.039 506 V CA 0.872 63.123 62.300 -0.083 0.000 1.045 506 V CB -0.521 31.158 31.823 -0.240 0.000 0.681 506 V HN 0.171 nan 8.190 nan 0.000 0.459 507 L N 1.109 122.178 121.223 -0.256 0.000 2.083 507 L HA -0.201 4.032 4.340 -0.178 0.000 0.209 507 L C 2.711 179.120 176.870 -0.768 0.000 1.083 507 L CA 2.236 56.745 54.840 -0.553 0.000 0.752 507 L CB -0.860 40.766 42.059 -0.720 0.000 0.899 507 L HN 0.622 nan 8.230 nan 0.000 0.433 508 Q N -2.320 117.136 119.800 -0.573 0.000 2.226 508 Q HA -0.229 4.005 4.340 -0.178 0.000 0.204 508 Q C 1.989 177.704 176.000 -0.475 0.000 0.975 508 Q CA 1.876 57.337 55.803 -0.570 0.000 0.866 508 Q CB -0.692 27.677 28.738 -0.615 0.000 0.915 508 Q HN 0.449 nan 8.270 nan 0.000 0.440 509 F N 1.291 121.092 119.950 -0.249 0.000 2.416 509 F HA 0.034 4.454 4.527 -0.179 0.000 0.296 509 F C 2.472 178.267 175.800 -0.009 0.000 1.099 509 F CA 0.848 58.774 58.000 -0.122 0.000 1.427 509 F CB 0.041 38.957 39.000 -0.140 0.000 1.079 509 F HN 0.057 nan 8.300 nan 0.000 0.536 510 Q N -0.550 119.293 119.800 0.071 0.000 2.079 510 Q HA -0.146 4.087 4.340 -0.178 0.000 0.200 510 Q C 2.116 178.234 176.000 0.196 0.000 0.974 510 Q CA 1.317 57.174 55.803 0.090 0.000 0.840 510 Q CB -0.246 28.499 28.738 0.011 0.000 0.898 510 Q HN 0.292 nan 8.270 nan 0.000 0.430 511 F N 0.033 119.963 119.950 -0.033 0.000 2.075 511 F HA -0.203 4.218 4.527 -0.176 0.000 0.297 511 F C 2.340 178.122 175.800 -0.031 0.000 1.113 511 F CA 1.635 59.598 58.000 -0.061 0.000 1.218 511 F CB -1.417 37.503 39.000 -0.133 0.000 0.984 511 F HN 0.244 nan 8.300 nan 0.000 0.472 512 H N 0.051 119.158 119.070 0.062 0.000 2.319 512 H HA -0.197 4.253 4.556 -0.178 0.000 0.297 512 H C 2.289 177.647 175.328 0.050 0.000 1.097 512 H CA 2.403 58.440 56.048 -0.019 0.000 1.285 512 H CB -0.332 29.345 29.762 -0.141 0.000 1.368 512 H HN 0.371 nan 8.280 nan 0.000 0.495 513 E N -0.453 119.804 120.200 0.095 0.000 2.058 513 E HA -0.200 4.043 4.350 -0.178 0.000 0.194 513 E C 2.277 178.890 176.600 0.021 0.000 0.997 513 E CA 0.990 57.425 56.400 0.059 0.000 0.801 513 E CB -0.269 29.517 29.700 0.143 0.000 0.746 513 E HN 0.598 nan 8.360 nan 0.000 0.450 514 A N 0.784 123.638 122.820 0.058 0.000 1.930 514 A HA -0.107 4.106 4.320 -0.178 0.000 0.217 514 A C 2.175 179.756 177.584 -0.004 0.000 1.175 514 A CA 0.901 52.964 52.037 0.045 0.000 0.627 514 A CB -0.467 18.582 19.000 0.081 0.000 0.815 514 A HN 0.277 nan 8.150 nan 0.000 0.443 515 L N -1.046 120.155 121.223 -0.037 0.000 2.072 515 L HA -0.194 4.039 4.340 -0.178 0.000 0.205 515 L C 2.686 179.503 176.870 -0.088 0.000 1.079 515 L CA 1.048 55.846 54.840 -0.069 0.000 0.752 515 L CB -0.674 41.337 42.059 -0.080 0.000 0.906 515 L HN 0.459 nan 8.230 nan 0.000 0.436 516 c N -0.071 118.436 118.600 -0.156 0.000 2.429 516 c HA -0.193 4.270 4.570 -0.178 0.000 0.277 516 c C 2.902 177.000 174.090 0.013 0.000 1.262 516 c CA 0.986 57.240 56.329 -0.125 0.000 1.733 516 c CB -0.653 41.712 42.510 -0.241 0.000 2.010 516 c HN 0.454 nan 8.230 nan 0.000 0.483 517 K N 0.820 121.226 120.400 0.010 0.000 2.032 517 K HA -0.178 4.035 4.320 -0.178 0.000 0.209 517 K C 2.081 178.691 176.600 0.016 0.000 1.048 517 K CA 1.460 57.763 56.287 0.027 0.000 0.927 517 K CB -0.202 32.313 32.500 0.025 0.000 0.712 517 K HN 0.404 nan 8.250 nan 0.000 0.441 518 E N 0.002 120.203 120.200 0.000 0.000 2.153 518 E HA -0.144 4.099 4.350 -0.178 0.000 0.194 518 E C 1.774 178.370 176.600 -0.007 0.000 0.988 518 E CA 1.040 57.436 56.400 -0.007 0.000 0.811 518 E CB -0.050 29.639 29.700 -0.018 0.000 0.746 518 E HN 0.452 nan 8.360 nan 0.000 0.466 519 A N 0.029 122.846 122.820 -0.005 0.000 2.172 519 A HA 0.061 4.274 4.320 -0.178 0.000 0.216 519 A C 1.715 179.317 177.584 0.030 0.000 1.154 519 A CA 1.348 53.386 52.037 0.001 0.000 0.701 519 A CB -0.361 18.635 19.000 -0.008 0.000 0.789 519 A HN 0.324 nan 8.150 nan 0.000 0.465 520 G N -2.793 106.030 108.800 0.039 0.000 2.132 520 G HA2 -0.306 3.547 3.960 -0.178 0.000 0.234 520 G HA3 -0.306 3.547 3.960 -0.178 0.000 0.234 520 G C 0.003 174.937 174.900 0.057 0.000 0.989 520 G CA 0.239 45.358 45.100 0.032 0.000 0.676 520 G HN 0.805 nan 8.290 nan 0.000 0.522 521 Y N 0.661 120.935 120.300 -0.043 0.000 2.346 521 Y HA 0.496 4.939 4.550 -0.178 0.000 0.330 521 Y C 1.012 176.886 175.900 -0.042 0.000 1.178 521 Y CA 1.275 59.348 58.100 -0.045 0.000 1.331 521 Y CB 1.043 39.469 38.460 -0.057 0.000 1.253 521 Y HN 0.387 nan 8.280 nan 0.000 0.529 522 E N 3.128 122.905 120.200 -0.706 0.000 2.571 522 E HA 0.304 4.547 4.350 -0.178 0.000 0.222 522 E C 0.814 177.086 176.600 -0.548 0.000 0.904 522 E CA 0.386 56.514 56.400 -0.454 0.000 1.157 522 E CB -0.216 29.323 29.700 -0.269 0.000 1.158 522 E HN 0.916 nan 8.360 nan 0.000 0.540 523 G N 1.182 109.340 108.800 -1.071 0.000 2.489 523 G HA2 0.466 4.319 3.960 -0.178 0.000 0.271 523 G HA3 0.466 4.319 3.960 -0.178 0.000 0.271 523 G C -2.288 172.511 174.900 -0.168 0.000 1.427 523 G CA -0.509 44.257 45.100 -0.557 0.000 1.057 523 G HN 0.212 nan 8.290 nan 0.000 0.532 524 P HA 0.118 nan 4.420 nan 0.000 0.268 524 P C 0.816 178.118 177.300 0.004 0.000 1.204 524 P CA -0.563 62.497 63.100 -0.067 0.000 0.768 524 P CB 1.015 32.549 31.700 -0.277 0.000 0.842 525 L N 3.761 125.023 121.223 0.066 0.000 2.079 525 L HA -0.197 4.036 4.340 -0.178 0.000 0.210 525 L C 2.113 179.029 176.870 0.078 0.000 1.081 525 L CA 1.843 56.771 54.840 0.147 0.000 0.752 525 L CB -1.119 41.073 42.059 0.223 0.000 0.896 525 L HN 0.538 nan 8.230 nan 0.000 0.433 526 H N -1.893 117.052 119.070 -0.209 0.000 2.556 526 H HA 0.036 4.486 4.556 -0.178 0.000 0.268 526 H C 1.103 176.379 175.328 -0.087 0.000 0.996 526 H CA 0.604 56.383 56.048 -0.448 0.000 1.157 526 H CB -0.123 29.119 29.762 -0.866 0.000 1.355 526 H HN 0.557 nan 8.280 nan 0.000 0.597 527 Q N 0.373 119.948 119.800 -0.375 0.000 2.247 527 Q HA 0.138 4.371 4.340 -0.178 0.000 0.211 527 Q C 0.305 176.135 176.000 -0.284 0.000 0.861 527 Q CA -0.260 55.379 55.803 -0.273 0.000 0.949 527 Q CB 0.866 29.452 28.738 -0.253 0.000 1.115 527 Q HN 0.338 nan 8.270 nan 0.000 0.507 528 c N 2.030 120.381 118.600 -0.415 0.000 2.653 528 c HA 0.190 4.653 4.570 -0.178 0.000 0.421 528 c C -0.124 173.750 174.090 -0.360 0.000 1.334 528 c CA -0.037 55.762 56.329 -0.884 0.000 1.885 528 c CB 0.087 42.118 42.510 -0.799 0.000 2.645 528 c HN 0.271 nan 8.230 nan 0.000 0.601 529 D N 3.615 123.803 120.400 -0.354 0.000 2.549 529 D HA 0.322 4.855 4.640 -0.178 0.000 0.251 529 D C 0.566 176.845 176.300 -0.036 0.000 1.153 529 D CA -0.608 53.345 54.000 -0.079 0.000 0.861 529 D CB 0.937 41.752 40.800 0.025 0.000 1.207 529 D HN 0.614 nan 8.370 nan 0.000 0.543 530 I N 1.358 121.966 120.570 0.063 0.000 3.793 530 I HA 0.272 4.335 4.170 -0.178 0.000 0.315 530 I C 0.391 176.514 176.117 0.009 0.000 1.275 530 I CA -0.501 60.822 61.300 0.038 0.000 1.214 530 I CB -0.333 37.688 38.000 0.034 0.000 1.018 530 I HN 0.200 nan 8.210 nan 0.000 0.439 531 Y N 4.288 124.466 120.300 -0.202 0.000 2.944 531 Y HA -0.089 4.354 4.550 -0.178 0.000 0.340 531 Y C 1.233 176.928 175.900 -0.343 0.000 1.275 531 Y CA 0.345 58.062 58.100 -0.639 0.000 1.590 531 Y CB 0.164 38.374 38.460 -0.417 0.000 1.218 531 Y HN 0.356 nan 8.280 nan 0.000 0.576 532 R N 1.541 121.570 120.500 -0.786 0.000 3.994 532 R HA -0.223 4.010 4.340 -0.178 0.000 0.403 532 R C 0.100 176.225 176.300 -0.291 0.000 1.126 532 R CA 0.910 56.660 56.100 -0.583 0.000 1.143 532 R CB -1.967 27.951 30.300 -0.636 0.000 1.695 532 R HN 0.519 nan 8.270 nan 0.000 0.555 533 S N 1.164 116.736 115.700 -0.214 0.000 2.405 533 S HA 0.160 4.523 4.470 -0.178 0.000 0.291 533 S C 1.612 176.143 174.600 -0.116 0.000 1.137 533 S CA 0.350 58.475 58.200 -0.126 0.000 1.061 533 S CB 1.006 64.157 63.200 -0.081 0.000 1.001 533 S HN 0.322 nan 8.310 nan 0.000 0.507 534 T N 3.254 117.746 114.554 -0.103 0.000 2.951 534 T HA 0.004 4.247 4.350 -0.178 0.000 0.268 534 T C 1.543 176.205 174.700 -0.064 0.000 1.073 534 T CA 0.678 62.728 62.100 -0.084 0.000 1.134 534 T CB -0.166 68.657 68.868 -0.076 0.000 0.884 534 T HN 0.625 nan 8.240 nan 0.000 0.479 535 K N 1.337 121.704 120.400 -0.056 0.000 2.057 535 K HA 0.167 4.380 4.320 -0.178 0.000 0.206 535 K C 2.811 179.382 176.600 -0.048 0.000 1.050 535 K CA 1.168 57.428 56.287 -0.044 0.000 0.935 535 K CB -0.425 32.054 32.500 -0.034 0.000 0.715 535 K HN 0.433 nan 8.250 nan 0.000 0.439 536 A N 1.194 123.982 122.820 -0.054 0.000 1.898 536 A HA -0.079 4.134 4.320 -0.178 0.000 0.216 536 A C 2.400 179.944 177.584 -0.068 0.000 1.181 536 A CA 1.858 53.860 52.037 -0.059 0.000 0.620 536 A CB -1.165 17.801 19.000 -0.057 0.000 0.819 536 A HN 0.424 nan 8.150 nan 0.000 0.442 537 G N -0.345 108.415 108.800 -0.067 0.000 2.440 537 G HA2 -0.043 3.810 3.960 -0.178 0.000 0.218 537 G HA3 -0.043 3.810 3.960 -0.178 0.000 0.218 537 G C 1.744 176.606 174.900 -0.063 0.000 1.154 537 G CA 1.528 46.590 45.100 -0.064 0.000 0.767 537 G HN 0.812 nan 8.290 nan 0.000 0.552 538 A N 0.485 123.271 122.820 -0.056 0.000 1.933 538 A HA 0.001 4.215 4.320 -0.178 0.000 0.218 538 A C 2.214 179.766 177.584 -0.053 0.000 1.175 538 A CA 2.108 54.116 52.037 -0.048 0.000 0.628 538 A CB -0.377 18.600 19.000 -0.038 0.000 0.814 538 A HN 0.417 nan 8.150 nan 0.000 0.444 539 K N -0.894 119.470 120.400 -0.060 0.000 2.097 539 K HA -0.080 4.134 4.320 -0.178 0.000 0.205 539 K C 1.865 178.401 176.600 -0.107 0.000 1.050 539 K CA 1.239 57.485 56.287 -0.068 0.000 0.938 539 K CB -0.222 32.240 32.500 -0.063 0.000 0.718 539 K HN 0.327 nan 8.250 nan 0.000 0.442 540 L N 1.642 122.786 121.223 -0.132 0.000 2.056 540 L HA -0.090 4.143 4.340 -0.178 0.000 0.207 540 L C 2.366 179.136 176.870 -0.168 0.000 1.078 540 L CA 1.589 56.314 54.840 -0.191 0.000 0.749 540 L CB -0.507 41.444 42.059 -0.180 0.000 0.901 540 L HN 0.111 nan 8.230 nan 0.000 0.433 541 R N -0.763 119.669 120.500 -0.113 0.000 2.120 541 R HA -0.151 4.082 4.340 -0.178 0.000 0.234 541 R C 2.260 178.519 176.300 -0.067 0.000 1.123 541 R CA 1.066 57.112 56.100 -0.091 0.000 0.975 541 R CB -0.055 30.209 30.300 -0.060 0.000 0.866 541 R HN 0.232 nan 8.270 nan 0.000 0.446 542 K N 0.069 120.437 120.400 -0.054 0.000 2.063 542 K HA -0.116 4.097 4.320 -0.178 0.000 0.208 542 K C 1.982 178.577 176.600 -0.008 0.000 1.048 542 K CA 1.404 57.677 56.287 -0.022 0.000 0.928 542 K CB -0.239 32.251 32.500 -0.017 0.000 0.713 542 K HN 0.108 nan 8.250 nan 0.000 0.442 543 V N 1.946 121.835 119.914 -0.042 0.000 2.295 543 V HA -0.237 3.777 4.120 -0.178 0.000 0.246 543 V C 2.423 178.524 176.094 0.012 0.000 1.049 543 V CA 1.506 63.804 62.300 -0.003 0.000 1.024 543 V CB -0.395 31.384 31.823 -0.074 0.000 0.648 543 V HN 0.233 nan 8.190 nan 0.000 0.447 544 L N -0.646 120.496 121.223 -0.134 0.000 2.056 544 L HA -0.122 4.111 4.340 -0.178 0.000 0.207 544 L C 2.710 179.668 176.870 0.146 0.000 1.078 544 L CA 1.499 56.221 54.840 -0.197 0.000 0.749 544 L CB -0.648 41.169 42.059 -0.403 0.000 0.901 544 L HN 0.219 nan 8.230 nan 0.000 0.433 545 R N 0.157 120.707 120.500 0.083 0.000 2.189 545 R HA -0.046 4.187 4.340 -0.178 0.000 0.223 545 R C 2.328 178.732 176.300 0.173 0.000 1.092 545 R CA 0.968 57.147 56.100 0.131 0.000 0.989 545 R CB -0.308 30.030 30.300 0.063 0.000 0.876 545 R HN 0.325 nan 8.270 nan 0.000 0.457 546 A N 1.116 124.030 122.820 0.155 0.000 2.067 546 A HA 0.057 4.270 4.320 -0.178 0.000 0.219 546 A C 1.508 179.169 177.584 0.129 0.000 1.158 546 A CA 1.172 53.280 52.037 0.120 0.000 0.661 546 A CB -0.637 18.414 19.000 0.086 0.000 0.801 546 A HN 0.458 nan 8.150 nan 0.000 0.452 547 G N -0.339 108.616 108.800 0.257 0.000 2.652 547 G HA2 -0.367 3.486 3.960 -0.178 0.000 0.318 547 G HA3 -0.367 3.486 3.960 -0.178 0.000 0.318 547 G C 0.891 175.773 174.900 -0.030 0.000 1.295 547 G CA 1.765 46.935 45.100 0.116 0.000 0.999 547 G HN 1.718 nan 8.290 nan 0.000 0.548 548 S N -0.368 115.254 115.700 -0.131 0.000 2.561 548 S HA 0.480 4.843 4.470 -0.178 0.000 0.245 548 S C 1.716 176.280 174.600 -0.059 0.000 1.001 548 S CA 0.915 59.051 58.200 -0.106 0.000 1.002 548 S CB 0.517 63.629 63.200 -0.146 0.000 0.805 548 S HN 1.821 nan 8.310 nan 0.000 0.458 549 S N 1.074 116.753 115.700 -0.034 0.000 2.489 549 S HA 0.197 4.560 4.470 -0.178 0.000 0.228 549 S C 0.705 175.306 174.600 0.001 0.000 0.995 549 S CA -0.282 57.911 58.200 -0.011 0.000 0.934 549 S CB -0.143 63.059 63.200 0.003 0.000 0.771 549 S HN 0.587 nan 8.310 nan 0.000 0.522 550 R N 1.082 121.581 120.500 -0.003 0.000 2.750 550 R HA 0.547 4.780 4.340 -0.178 0.000 0.281 550 R C -3.241 173.054 176.300 -0.008 0.000 0.972 550 R CA -2.460 53.640 56.100 -0.000 0.000 0.912 550 R CB 0.991 31.295 30.300 0.006 0.000 1.187 550 R HN 0.086 nan 8.270 nan 0.000 0.464 551 P HA -0.097 nan 4.420 nan 0.000 0.264 551 P C 0.594 177.850 177.300 -0.073 0.000 1.193 551 P CA -0.119 62.946 63.100 -0.058 0.000 0.763 551 P CB 0.279 31.913 31.700 -0.110 0.000 0.810 552 W N 3.560 124.827 121.300 -0.056 0.000 2.350 552 W HA -0.220 4.333 4.660 -0.179 0.000 0.289 552 W C 0.624 177.212 176.519 0.115 0.000 1.215 552 W CA 0.823 58.112 57.345 -0.094 0.000 1.236 552 W CB -1.348 28.038 29.460 -0.124 0.000 1.130 552 W HN 0.329 nan 8.180 nan 0.000 0.541 553 Q N 1.295 120.696 119.800 -0.664 0.000 2.135 553 Q HA -0.156 4.077 4.340 -0.178 0.000 0.204 553 Q C 2.306 178.246 176.000 -0.101 0.000 0.981 553 Q CA 3.098 58.570 55.803 -0.552 0.000 0.856 553 Q CB -0.622 27.679 28.738 -0.727 0.000 0.902 553 Q HN 0.314 nan 8.270 nan 0.000 0.425 554 E N -0.789 119.366 120.200 -0.076 0.000 2.112 554 E HA -0.055 4.188 4.350 -0.178 0.000 0.190 554 E C 2.180 178.827 176.600 0.079 0.000 0.979 554 E CA 0.872 57.273 56.400 0.003 0.000 0.814 554 E CB -0.531 29.158 29.700 -0.018 0.000 0.762 554 E HN 0.279 nan 8.360 nan 0.000 0.460 555 V N 0.927 120.908 119.914 0.111 0.000 2.332 555 V HA -0.212 3.801 4.120 -0.178 0.000 0.248 555 V C 2.392 178.669 176.094 0.305 0.000 1.055 555 V CA 1.829 64.232 62.300 0.172 0.000 1.038 555 V CB -0.544 31.349 31.823 0.116 0.000 0.651 555 V HN 0.272 nan 8.190 nan 0.000 0.450 556 L N 0.153 121.647 121.223 0.452 0.000 2.093 556 L HA -0.131 4.102 4.340 -0.178 0.000 0.208 556 L C 2.395 179.441 176.870 0.293 0.000 1.085 556 L CA 2.071 57.216 54.840 0.508 0.000 0.755 556 L CB -0.741 41.724 42.059 0.677 0.000 0.904 556 L HN 0.256 nan 8.230 nan 0.000 0.435 557 K N -0.772 119.749 120.400 0.201 0.000 2.057 557 K HA -0.187 4.026 4.320 -0.178 0.000 0.207 557 K C 1.721 178.388 176.600 0.110 0.000 1.049 557 K CA 1.688 58.055 56.287 0.132 0.000 0.931 557 K CB -0.084 32.466 32.500 0.082 0.000 0.714 557 K HN 0.300 nan 8.250 nan 0.000 0.440 558 D N 0.247 120.710 120.400 0.104 0.000 2.149 558 D HA -0.197 4.336 4.640 -0.178 0.000 0.198 558 D C 1.736 178.081 176.300 0.074 0.000 0.990 558 D CA 1.180 55.225 54.000 0.077 0.000 0.839 558 D CB 0.027 40.868 40.800 0.067 0.000 0.948 558 D HN 0.314 nan 8.370 nan 0.000 0.460 559 M N -0.449 119.211 119.600 0.100 0.000 2.357 559 M HA -0.035 4.338 4.480 -0.178 0.000 0.266 559 M C 1.350 177.705 176.300 0.092 0.000 1.095 559 M CA 0.920 56.261 55.300 0.070 0.000 1.156 559 M CB 0.528 33.155 32.600 0.046 0.000 1.365 559 M HN -0.170 nan 8.290 nan 0.000 0.447 560 V N -0.952 119.045 119.914 0.139 0.000 3.572 560 V HA 0.297 4.310 4.120 -0.178 0.000 0.260 560 V C 1.263 177.429 176.094 0.119 0.000 1.324 560 V CA 1.020 63.410 62.300 0.149 0.000 1.068 560 V CB 0.863 32.815 31.823 0.215 0.000 0.837 560 V HN 0.714 nan 8.190 nan 0.000 0.450 561 G N 0.608 109.474 108.800 0.109 0.000 2.175 561 G HA2 -0.206 3.647 3.960 -0.178 0.000 0.244 561 G HA3 -0.206 3.647 3.960 -0.178 0.000 0.244 561 G C -0.327 174.629 174.900 0.094 0.000 0.982 561 G CA 0.399 45.552 45.100 0.088 0.000 0.641 561 G HN 0.434 nan 8.290 nan 0.000 0.527 562 L N 0.945 122.241 121.223 0.121 0.000 2.422 562 L HA 0.743 4.976 4.340 -0.178 0.000 0.264 562 L C -0.205 176.757 176.870 0.154 0.000 0.984 562 L CA -0.216 54.699 54.840 0.125 0.000 0.819 562 L CB 1.784 43.923 42.059 0.134 0.000 1.330 562 L HN 0.135 nan 8.230 nan 0.000 0.410 563 D N 2.567 123.040 120.400 0.121 0.000 2.491 563 D HA 0.482 5.015 4.640 -0.178 0.000 0.228 563 D C -0.273 176.102 176.300 0.126 0.000 1.183 563 D CA 0.217 54.272 54.000 0.092 0.000 0.827 563 D CB 0.433 41.236 40.800 0.005 0.000 0.989 563 D HN 0.563 nan 8.370 nan 0.000 0.494 564 A N -0.011 122.960 122.820 0.252 0.000 2.606 564 A HA 0.555 4.768 4.320 -0.178 0.000 0.293 564 A C -0.695 177.112 177.584 0.372 0.000 1.082 564 A CA -0.914 51.336 52.037 0.356 0.000 0.685 564 A CB 0.888 20.030 19.000 0.237 0.000 1.284 564 A HN 0.170 nan 8.150 nan 0.000 0.408 565 L N 1.409 122.874 121.223 0.405 0.000 2.485 565 L HA 0.335 4.568 4.340 -0.178 0.000 0.275 565 L C -0.269 176.709 176.870 0.180 0.000 1.207 565 L CA 0.341 55.322 54.840 0.235 0.000 0.855 565 L CB 0.280 42.452 42.059 0.188 0.000 1.114 565 L HN 0.752 nan 8.230 nan 0.000 0.485 566 D N 1.192 121.664 120.400 0.121 0.000 2.990 566 D HA 0.411 4.944 4.640 -0.178 0.000 0.227 566 D C 0.047 176.387 176.300 0.067 0.000 1.249 566 D CA -0.403 53.664 54.000 0.111 0.000 0.891 566 D CB 2.063 42.934 40.800 0.120 0.000 1.647 566 D HN 0.446 nan 8.370 nan 0.000 0.530 567 A N 2.975 125.828 122.820 0.055 0.000 2.169 567 A HA -0.028 4.185 4.320 -0.178 0.000 0.212 567 A C 1.690 179.287 177.584 0.020 0.000 1.153 567 A CA 0.767 52.810 52.037 0.010 0.000 0.756 567 A CB -0.140 18.852 19.000 -0.014 0.000 0.813 567 A HN 0.499 nan 8.150 nan 0.000 0.471 568 Q N 0.747 120.578 119.800 0.052 0.000 2.061 568 Q HA -0.100 4.133 4.340 -0.178 0.000 0.204 568 Q C -0.793 175.253 176.000 0.076 0.000 0.984 568 Q CA 2.453 58.293 55.803 0.061 0.000 0.846 568 Q CB -1.204 27.578 28.738 0.074 0.000 0.902 568 Q HN 0.454 nan 8.270 nan 0.000 0.421 569 P HA -0.174 nan 4.420 nan 0.000 0.215 569 P C 1.284 178.663 177.300 0.132 0.000 1.153 569 P CA 0.848 64.038 63.100 0.149 0.000 0.853 569 P CB -0.163 31.646 31.700 0.181 0.000 0.788 570 L N -0.296 120.930 121.223 0.005 0.000 1.989 570 L HA -0.173 4.060 4.340 -0.178 0.000 0.211 570 L C 2.067 178.907 176.870 -0.051 0.000 1.071 570 L CA 2.052 56.715 54.840 -0.296 0.000 0.749 570 L CB -1.692 40.158 42.059 -0.347 0.000 0.890 570 L HN -0.024 nan 8.230 nan 0.000 0.431 571 L N -0.228 121.004 121.223 0.015 0.000 2.042 571 L HA -0.263 3.970 4.340 -0.178 0.000 0.210 571 L C 2.701 179.637 176.870 0.110 0.000 1.076 571 L CA 1.719 56.600 54.840 0.068 0.000 0.749 571 L CB -0.634 41.447 42.059 0.036 0.000 0.893 571 L HN 0.325 nan 8.230 nan 0.000 0.432 572 K N -0.510 119.954 120.400 0.108 0.000 2.097 572 K HA -0.243 3.970 4.320 -0.178 0.000 0.205 572 K C 2.271 178.951 176.600 0.134 0.000 1.050 572 K CA 1.418 57.775 56.287 0.117 0.000 0.938 572 K CB -0.221 32.353 32.500 0.124 0.000 0.718 572 K HN 0.178 nan 8.250 nan 0.000 0.442 573 Y N -0.257 120.040 120.300 -0.004 0.000 2.165 573 Y HA -0.207 4.236 4.550 -0.178 0.000 0.286 573 Y C 1.277 177.014 175.900 -0.271 0.000 1.155 573 Y CA 1.777 59.813 58.100 -0.106 0.000 1.164 573 Y CB 0.003 38.331 38.460 -0.221 0.000 0.978 573 Y HN 0.013 nan 8.280 nan 0.000 0.513 574 F N -0.338 119.686 119.950 0.122 0.000 2.727 574 F HA 0.062 4.484 4.527 -0.176 0.000 0.302 574 F C 2.229 178.005 175.800 -0.039 0.000 1.097 574 F CA 0.234 58.244 58.000 0.018 0.000 1.330 574 F CB -0.250 38.754 39.000 0.007 0.000 1.084 574 F HN 0.036 nan 8.300 nan 0.000 0.578 575 Q N 0.874 120.742 119.800 0.113 0.000 2.165 575 Q HA -0.282 3.951 4.340 -0.178 0.000 0.215 575 Q C 2.057 178.092 176.000 0.059 0.000 1.010 575 Q CA 2.245 58.094 55.803 0.076 0.000 0.896 575 Q CB -0.319 28.454 28.738 0.058 0.000 0.956 575 Q HN 0.497 nan 8.270 nan 0.000 0.413 576 L N -1.067 120.162 121.223 0.009 0.000 2.056 576 L HA -0.131 4.103 4.340 -0.178 0.000 0.207 576 L C 2.379 179.292 176.870 0.072 0.000 1.078 576 L CA 0.686 55.536 54.840 0.016 0.000 0.749 576 L CB -0.330 41.692 42.059 -0.062 0.000 0.901 576 L HN 0.189 nan 8.230 nan 0.000 0.433 577 V N -0.853 119.099 119.914 0.063 0.000 2.591 577 V HA -0.198 3.815 4.120 -0.178 0.000 0.249 577 V C 2.415 178.601 176.094 0.153 0.000 1.053 577 V CA 2.062 64.435 62.300 0.121 0.000 1.068 577 V CB 0.046 31.925 31.823 0.092 0.000 0.689 577 V HN 0.477 nan 8.190 nan 0.000 0.462 578 T N -0.162 114.461 114.554 0.115 0.000 2.684 578 T HA -0.259 3.984 4.350 -0.178 0.000 0.267 578 T C 1.806 176.546 174.700 0.068 0.000 1.036 578 T CA 2.168 64.310 62.100 0.070 0.000 1.148 578 T CB -0.209 68.696 68.868 0.061 0.000 0.863 578 T HN 0.485 nan 8.240 nan 0.000 0.436 579 Q N -0.326 119.528 119.800 0.089 0.000 2.079 579 Q HA -0.063 4.170 4.340 -0.178 0.000 0.200 579 Q C 1.858 177.918 176.000 0.100 0.000 0.974 579 Q CA 1.552 57.402 55.803 0.078 0.000 0.840 579 Q CB -0.547 28.240 28.738 0.082 0.000 0.898 579 Q HN 0.704 nan 8.270 nan 0.000 0.430 580 W N 0.086 121.367 121.300 -0.032 0.000 2.355 580 W HA -0.155 4.397 4.660 -0.179 0.000 0.309 580 W C 1.470 177.934 176.519 -0.093 0.000 1.206 580 W CA 1.606 58.925 57.345 -0.043 0.000 1.284 580 W CB -0.244 29.194 29.460 -0.036 0.000 1.145 580 W HN 0.199 nan 8.180 nan 0.000 0.502 581 L N 0.155 121.407 121.223 0.048 0.000 2.046 581 L HA -0.274 3.959 4.340 -0.178 0.000 0.208 581 L C 2.696 179.462 176.870 -0.173 0.000 1.077 581 L CA 1.592 56.332 54.840 -0.166 0.000 0.747 581 L CB -1.028 40.991 42.059 -0.065 0.000 0.896 581 L HN 0.083 nan 8.230 nan 0.000 0.432 582 Q N -0.119 119.625 119.800 -0.092 0.000 2.061 582 Q HA -0.267 3.966 4.340 -0.178 0.000 0.204 582 Q C 2.137 178.063 176.000 -0.123 0.000 0.984 582 Q CA 1.914 57.670 55.803 -0.078 0.000 0.846 582 Q CB -0.141 28.572 28.738 -0.042 0.000 0.902 582 Q HN 0.555 nan 8.270 nan 0.000 0.421 583 E N 0.062 120.159 120.200 -0.170 0.000 2.051 583 E HA -0.203 4.040 4.350 -0.178 0.000 0.192 583 E C 2.213 178.654 176.600 -0.265 0.000 0.991 583 E CA 0.899 57.181 56.400 -0.197 0.000 0.799 583 E CB 0.059 29.637 29.700 -0.202 0.000 0.748 583 E HN 0.266 nan 8.360 nan 0.000 0.449 584 Q N 0.630 120.163 119.800 -0.445 0.000 2.096 584 Q HA -0.141 4.092 4.340 -0.178 0.000 0.204 584 Q C 1.853 177.750 176.000 -0.171 0.000 0.982 584 Q CA 1.112 56.669 55.803 -0.410 0.000 0.850 584 Q CB -0.449 27.886 28.738 -0.673 0.000 0.901 584 Q HN 0.286 nan 8.270 nan 0.000 0.422 585 N N 0.825 119.453 118.700 -0.120 0.000 2.142 585 N HA -0.122 4.511 4.740 -0.178 0.000 0.186 585 N C 1.853 177.329 175.510 -0.057 0.000 1.023 585 N CA 0.940 53.964 53.050 -0.044 0.000 0.852 585 N CB -0.163 38.317 38.487 -0.011 0.000 0.998 585 N HN 0.395 nan 8.380 nan 0.000 0.424 586 Q N 0.756 120.512 119.800 -0.074 0.000 2.084 586 Q HA -0.092 4.141 4.340 -0.178 0.000 0.202 586 Q C 2.003 177.965 176.000 -0.064 0.000 0.978 586 Q CA 1.140 56.905 55.803 -0.063 0.000 0.844 586 Q CB -0.105 28.596 28.738 -0.061 0.000 0.898 586 Q HN 0.479 nan 8.270 nan 0.000 0.426 587 Q N 0.327 120.079 119.800 -0.080 0.000 2.124 587 Q HA -0.127 4.106 4.340 -0.178 0.000 0.202 587 Q C 1.220 177.183 176.000 -0.061 0.000 0.977 587 Q CA 1.136 56.897 55.803 -0.071 0.000 0.850 587 Q CB -0.057 28.629 28.738 -0.087 0.000 0.901 587 Q HN 0.461 nan 8.270 nan 0.000 0.429 588 N N -0.798 117.864 118.700 -0.064 0.000 2.461 588 N HA 0.030 4.663 4.740 -0.178 0.000 0.188 588 N C 0.426 175.900 175.510 -0.061 0.000 1.134 588 N CA 0.195 53.209 53.050 -0.060 0.000 0.878 588 N CB 0.447 38.899 38.487 -0.058 0.000 0.972 588 N HN 0.290 nan 8.380 nan 0.000 0.456 589 G N 1.581 110.348 108.800 -0.055 0.000 2.221 589 G HA2 -0.254 3.599 3.960 -0.178 0.000 0.265 589 G HA3 -0.254 3.599 3.960 -0.178 0.000 0.265 589 G C -0.271 174.596 174.900 -0.055 0.000 1.041 589 G CA -0.024 45.044 45.100 -0.053 0.000 0.807 589 G HN 0.266 nan 8.290 nan 0.000 0.502 590 E N -0.712 119.460 120.200 -0.048 0.000 2.404 590 E HA 0.333 4.577 4.350 -0.178 0.000 0.261 590 E C 0.651 177.232 176.600 -0.032 0.000 1.074 590 E CA -0.308 56.068 56.400 -0.040 0.000 0.917 590 E CB 1.557 31.249 29.700 -0.014 0.000 0.965 590 E HN 0.173 nan 8.360 nan 0.000 0.433 591 V N 3.618 123.515 119.914 -0.029 0.000 2.383 591 V HA 0.160 4.173 4.120 -0.178 0.000 0.275 591 V C 0.484 176.576 176.094 -0.003 0.000 1.036 591 V CA -0.515 61.769 62.300 -0.026 0.000 0.889 591 V CB 0.602 32.405 31.823 -0.034 0.000 0.985 591 V HN 0.406 nan 8.190 nan 0.000 0.459 592 L N 5.656 126.863 121.223 -0.026 0.000 2.360 592 L HA 0.678 4.911 4.340 -0.178 0.000 0.276 592 L C 1.020 177.819 176.870 -0.119 0.000 1.121 592 L CA 0.730 55.551 54.840 -0.031 0.000 0.845 592 L CB 0.339 42.370 42.059 -0.047 0.000 1.143 592 L HN 0.996 nan 8.230 nan 0.000 0.452 593 G N 3.118 111.832 108.800 -0.142 0.000 2.549 593 G HA2 -0.184 3.669 3.960 -0.178 0.000 0.404 593 G HA3 -0.184 3.669 3.960 -0.178 0.000 0.404 593 G C -1.318 173.523 174.900 -0.098 0.000 1.292 593 G CA -0.188 44.607 45.100 -0.508 0.000 0.935 593 G HN 0.873 nan 8.290 nan 0.000 0.512 594 W N -1.783 119.505 121.300 -0.021 0.000 1.809 594 W HA 0.613 5.158 4.660 -0.193 0.000 0.298 594 W C -1.539 175.018 176.519 0.063 0.000 0.905 594 W CA -1.418 55.942 57.345 0.024 0.000 1.872 594 W CB 0.643 30.131 29.460 0.047 0.000 2.092 594 W HN 0.508 nan 8.180 nan 0.000 0.403 595 P HA -0.197 nan 4.420 nan 0.000 0.221 595 P C 0.196 177.584 177.300 0.146 0.000 1.145 595 P CA 1.514 64.666 63.100 0.087 0.000 0.795 595 P CB 0.390 32.101 31.700 0.018 0.000 0.775 596 E N 0.039 120.296 120.200 0.096 0.000 2.261 596 E HA -0.002 4.241 4.350 -0.178 0.000 0.308 596 E C 0.648 177.295 176.600 0.078 0.000 1.400 596 E CA -0.406 56.002 56.400 0.012 0.000 1.542 596 E CB -0.491 29.204 29.700 -0.009 0.000 1.369 596 E HN 0.459 nan 8.360 nan 0.000 0.493 597 Y N -0.443 119.974 120.300 0.195 0.000 2.483 597 Y HA -0.131 4.323 4.550 -0.161 0.000 0.291 597 Y C 1.819 177.816 175.900 0.162 0.000 1.143 597 Y CA 0.678 58.913 58.100 0.224 0.000 1.289 597 Y CB -0.171 38.409 38.460 0.200 0.000 0.983 597 Y HN 0.183 nan 8.280 nan 0.000 0.556 598 Q N -0.758 118.928 119.800 -0.190 0.000 2.408 598 Q HA 0.027 4.260 4.340 -0.178 0.000 0.205 598 Q C -0.155 175.898 176.000 0.088 0.000 0.919 598 Q CA -0.386 55.411 55.803 -0.009 0.000 0.932 598 Q CB 0.077 28.720 28.738 -0.159 0.000 1.058 598 Q HN 0.589 nan 8.270 nan 0.000 0.517 599 W N 1.236 122.463 121.300 -0.121 0.000 2.210 599 W HA 0.040 4.591 4.660 -0.182 0.000 0.330 599 W C -0.739 175.627 176.519 -0.254 0.000 1.334 599 W CA 0.695 57.986 57.345 -0.090 0.000 1.227 599 W CB 0.380 29.797 29.460 -0.072 0.000 1.178 599 W HN 0.108 nan 8.180 nan 0.000 0.560 600 H N 5.484 123.937 119.070 -1.030 0.000 2.768 600 H HA 0.408 4.855 4.556 -0.181 0.000 0.371 600 H C -2.039 172.286 175.328 -1.672 0.000 1.151 600 H CA -1.866 53.507 56.048 -1.125 0.000 1.165 600 H CB 1.568 30.980 29.762 -0.583 0.000 1.722 600 H HN 0.193 nan 8.280 nan 0.000 0.543 601 P HA 0.115 nan 4.420 nan 0.000 0.274 601 P C -2.510 174.616 177.300 -0.290 0.000 1.231 601 P CA -1.285 61.452 63.100 -0.604 0.000 0.790 601 P CB 0.505 32.147 31.700 -0.097 0.000 0.951 602 P HA 0.198 nan 4.420 nan 0.000 0.277 602 P C -0.214 177.089 177.300 0.006 0.000 1.271 602 P CA -0.454 62.595 63.100 -0.085 0.000 0.795 602 P CB 0.506 32.159 31.700 -0.078 0.000 1.101 603 L N 1.327 122.544 121.223 -0.010 0.000 2.461 603 L HA 0.239 4.472 4.340 -0.178 0.000 0.272 603 L C -1.799 175.133 176.870 0.104 0.000 1.197 603 L CA -1.312 53.530 54.840 0.004 0.000 0.836 603 L CB -1.178 40.899 42.059 0.029 0.000 1.105 603 L HN 0.305 nan 8.230 nan 0.000 0.477 604 P HA 0.131 nan 4.420 nan 0.000 0.269 604 P C 0.801 178.208 177.300 0.178 0.000 1.215 604 P CA 0.455 63.662 63.100 0.179 0.000 0.780 604 P CB 0.363 32.143 31.700 0.132 0.000 0.898 605 D N 0.893 121.387 120.400 0.156 0.000 2.269 605 D HA -0.289 4.244 4.640 -0.178 0.000 0.191 605 D C 1.132 177.502 176.300 0.116 0.000 1.007 605 D CA 2.384 56.449 54.000 0.109 0.000 0.855 605 D CB -1.673 39.178 40.800 0.086 0.000 0.979 605 D HN 0.651 nan 8.370 nan 0.000 0.452 606 N N -1.282 117.497 118.700 0.132 0.000 2.806 606 N HA 0.461 5.094 4.740 -0.178 0.000 0.315 606 N C -0.668 174.930 175.510 0.148 0.000 1.738 606 N CA -0.399 52.717 53.050 0.111 0.000 0.993 606 N CB -0.023 38.504 38.487 0.067 0.000 1.324 606 N HN 0.599 nan 8.380 nan 0.000 0.493 607 Y N 1.914 122.250 120.300 0.060 0.000 2.316 607 Y HA 0.492 4.935 4.550 -0.178 0.000 0.331 607 Y C -1.540 174.403 175.900 0.072 0.000 1.083 607 Y CA -1.700 56.445 58.100 0.076 0.000 1.206 607 Y CB 2.052 40.566 38.460 0.090 0.000 1.195 607 Y HN 0.327 nan 8.280 nan 0.000 0.497 608 P HA 0.198 nan 4.420 nan 0.000 0.269 608 P C -0.969 176.171 177.300 -0.267 0.000 1.478 608 P CA -0.033 62.636 63.100 -0.718 0.000 1.045 608 P CB 0.377 31.573 31.700 -0.840 0.000 1.512 609 E N 0.806 120.927 120.200 -0.131 0.000 2.373 609 E HA 0.463 4.707 4.350 -0.178 0.000 0.267 609 E C 1.116 177.683 176.600 -0.055 0.000 1.032 609 E CA 0.937 57.286 56.400 -0.086 0.000 0.889 609 E CB -0.072 29.600 29.700 -0.047 0.000 0.984 609 E HN 0.314 nan 8.360 nan 0.000 0.425 610 G N 0.000 108.759 108.800 -0.068 0.000 5.446 610 G HA2 0.000 3.853 3.960 -0.178 0.000 0.244 610 G HA3 0.000 3.853 3.960 -0.178 0.000 0.244 610 G CA 0.000 45.074 45.100 -0.044 0.000 0.502 610 G HN 0.000 nan 8.290 nan 0.000 0.925