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 3idz_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA HLDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFQGH AGQDELLDWL QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.012 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.001 0.000 1.302 2 R N 2.991 123.481 120.500 -0.018 0.000 2.807 2 R HA 0.794 5.134 4.340 0.001 0.000 0.276 2 R C -1.473 174.800 176.300 -0.045 0.000 0.979 2 R CA -0.995 55.087 56.100 -0.030 0.000 0.928 2 R CB 2.798 33.081 30.300 -0.029 0.000 1.191 2 R HN 0.624 nan 8.270 nan 0.000 0.471 3 I N 1.750 122.281 120.570 -0.066 0.000 2.418 3 I HA 0.268 4.438 4.170 0.001 0.000 0.287 3 I C -1.255 174.778 176.117 -0.139 0.000 1.008 3 I CA -0.679 60.564 61.300 -0.095 0.000 1.104 3 I CB 1.949 39.887 38.000 -0.104 0.000 1.264 3 I HN 0.318 nan 8.210 nan 0.000 0.438 4 V N 9.661 129.469 119.914 -0.176 0.000 2.328 4 V HA 0.460 4.581 4.120 0.001 0.000 0.278 4 V C -2.317 173.496 176.094 -0.469 0.000 1.021 4 V CA -1.695 60.393 62.300 -0.353 0.000 0.838 4 V CB 1.022 32.595 31.823 -0.416 0.000 0.999 4 V HN 0.627 nan 8.190 nan 0.000 0.447 5 P HA 0.260 nan 4.420 nan 0.000 0.276 5 P C -0.467 176.455 177.300 -0.630 0.000 1.264 5 P CA 0.146 63.136 63.100 -0.182 0.000 0.769 5 P CB 0.153 31.812 31.700 -0.069 0.000 0.840 6 F N 3.112 122.872 119.950 -0.316 0.000 2.850 6 F HA 0.542 5.070 4.527 0.001 0.000 0.329 6 F C 1.152 176.862 175.800 -0.150 0.000 1.182 6 F CA 0.044 57.729 58.000 -0.524 0.000 1.270 6 F CB 0.517 39.430 39.000 -0.145 0.000 0.979 6 F HN 0.367 nan 8.300 nan 0.000 0.506 7 G N -1.458 107.389 108.800 0.078 0.000 2.328 7 G HA2 0.463 4.424 3.960 0.001 0.000 0.295 7 G HA3 0.463 4.424 3.960 0.001 0.000 0.295 7 G C 0.112 175.101 174.900 0.148 0.000 1.413 7 G CA -0.098 45.130 45.100 0.214 0.000 0.817 7 G HN 0.551 nan 8.290 nan 0.000 0.546 8 A N -1.898 121.003 122.820 0.136 0.000 2.739 8 A HA 0.154 4.474 4.320 0.001 0.000 0.295 8 A C 1.294 178.988 177.584 0.183 0.000 1.477 8 A CA 2.047 54.155 52.037 0.119 0.000 0.931 8 A CB -1.545 17.521 19.000 0.111 0.000 0.959 8 A HN 2.586 nan 8.150 nan 0.000 0.555 9 A N -0.873 122.085 122.820 0.230 0.000 2.343 9 A HA 0.629 4.949 4.320 0.001 0.000 0.305 9 A C 1.043 178.716 177.584 0.148 0.000 1.308 9 A CA 0.522 52.674 52.037 0.191 0.000 0.949 9 A CB -0.192 18.942 19.000 0.222 0.000 1.148 9 A HN 1.388 nan 8.150 nan 0.000 0.545 10 R N 0.006 120.566 120.500 0.101 0.000 3.407 10 R HA -0.169 4.171 4.340 0.001 0.000 0.277 10 R C -0.537 175.793 176.300 0.050 0.000 1.119 10 R CA 1.553 57.692 56.100 0.065 0.000 0.750 10 R CB -1.968 28.367 30.300 0.059 0.000 1.258 10 R HN 1.122 nan 8.270 nan 0.000 0.432 11 E N -3.480 116.745 120.200 0.041 0.000 2.412 11 E HA 0.150 4.500 4.350 0.001 0.000 0.283 11 E C 0.354 176.914 176.600 -0.066 0.000 1.160 11 E CA -0.411 55.991 56.400 0.003 0.000 0.918 11 E CB 0.243 29.968 29.700 0.042 0.000 1.194 11 E HN 0.072 nan 8.360 nan 0.000 0.428 12 V N -0.594 119.221 119.914 -0.165 0.000 2.515 12 V HA -0.044 4.076 4.120 0.001 0.000 0.250 12 V C 0.927 176.728 176.094 -0.489 0.000 1.058 12 V CA 2.108 64.138 62.300 -0.450 0.000 1.064 12 V CB -1.051 30.544 31.823 -0.379 0.000 0.675 12 V HN 0.819 nan 8.190 nan 0.000 0.461 13 T N -3.386 111.055 114.554 -0.189 0.000 2.936 13 T HA 0.673 5.024 4.350 0.001 0.000 0.282 13 T C 1.080 175.671 174.700 -0.182 0.000 1.003 13 T CA 0.205 62.215 62.100 -0.150 0.000 1.005 13 T CB 1.094 69.941 68.868 -0.035 0.000 1.097 13 T HN 1.688 nan 8.240 nan 0.000 0.532 14 G N 0.303 108.843 108.800 -0.434 0.000 2.175 14 G HA2 -0.255 3.706 3.960 0.001 0.000 0.244 14 G HA3 -0.255 3.706 3.960 0.001 0.000 0.244 14 G C 0.284 174.838 174.900 -0.576 0.000 0.982 14 G CA -0.053 44.480 45.100 -0.945 0.000 0.641 14 G HN 1.112 nan 8.290 nan 0.000 0.527 15 S N 0.726 116.187 115.700 -0.398 0.000 3.298 15 S HA 0.369 4.840 4.470 0.001 0.000 0.389 15 S C 0.556 174.921 174.600 -0.392 0.000 1.186 15 S CA 1.176 59.162 58.200 -0.357 0.000 1.034 15 S CB 0.266 63.227 63.200 -0.398 0.000 0.735 15 S HN 1.969 nan 8.310 nan 0.000 0.510 16 A N 5.029 127.459 122.820 -0.651 0.000 2.500 16 A HA 0.579 4.900 4.320 0.001 0.000 0.291 16 A C -1.195 175.962 177.584 -0.711 0.000 1.048 16 A CA -0.795 50.983 52.037 -0.433 0.000 0.791 16 A CB 1.087 20.038 19.000 -0.081 0.000 1.309 16 A HN 0.786 nan 8.150 nan 0.000 0.397 17 H N 2.400 121.385 119.070 -0.142 0.000 2.924 17 H HA 0.401 4.957 4.556 0.001 0.000 0.333 17 H C -1.356 173.843 175.328 -0.214 0.000 0.979 17 H CA -0.651 55.270 56.048 -0.211 0.000 1.326 17 H CB 1.842 31.375 29.762 -0.383 0.000 1.600 17 H HN 0.567 nan 8.280 nan 0.000 0.520 18 L N 4.206 125.385 121.223 -0.072 0.000 2.281 18 L HA 0.239 4.580 4.340 0.001 0.000 0.285 18 L C -0.745 176.068 176.870 -0.095 0.000 1.074 18 L CA -0.575 54.172 54.840 -0.154 0.000 0.817 18 L CB 0.538 42.506 42.059 -0.151 0.000 1.168 18 L HN 0.456 nan 8.230 nan 0.000 0.434 19 L N 6.574 127.743 121.223 -0.090 0.000 2.265 19 L HA 0.477 4.817 4.340 0.001 0.000 0.289 19 L C -1.135 175.709 176.870 -0.043 0.000 1.033 19 L CA 0.008 54.815 54.840 -0.055 0.000 0.814 19 L CB 0.772 42.811 42.059 -0.033 0.000 1.203 19 L HN 0.547 nan 8.230 nan 0.000 0.423 20 L N 6.600 127.805 121.223 -0.030 0.000 2.272 20 L HA 0.838 5.178 4.340 0.001 0.000 0.284 20 L C -0.155 176.709 176.870 -0.010 0.000 1.045 20 L CA -0.257 54.573 54.840 -0.016 0.000 0.842 20 L CB 0.673 42.728 42.059 -0.007 0.000 1.224 20 L HN 0.840 nan 8.230 nan 0.000 0.430 21 A N 1.531 124.347 122.820 -0.007 0.000 2.605 21 A HA 0.647 4.968 4.320 0.001 0.000 0.294 21 A C 0.448 178.031 177.584 -0.000 0.000 1.062 21 A CA 0.036 52.071 52.037 -0.002 0.000 0.682 21 A CB 1.373 20.373 19.000 0.000 0.000 1.278 21 A HN 0.794 nan 8.150 nan 0.000 0.410 22 G N -0.047 108.753 108.800 -0.000 0.000 2.258 22 G HA2 0.206 4.166 3.960 0.001 0.000 0.274 22 G HA3 0.206 4.166 3.960 0.001 0.000 0.274 22 G C 1.793 176.693 174.900 0.000 0.000 1.021 22 G CA 1.594 46.694 45.100 -0.001 0.000 0.798 22 G HN 2.986 nan 8.290 nan 0.000 0.507 23 G N -2.021 106.780 108.800 0.001 0.000 2.147 23 G HA2 -0.174 3.786 3.960 0.001 0.000 0.244 23 G HA3 -0.174 3.786 3.960 0.001 0.000 0.244 23 G C 0.269 175.173 174.900 0.006 0.000 1.005 23 G CA 1.000 46.103 45.100 0.004 0.000 0.713 23 G HN 1.117 nan 8.290 nan 0.000 0.515 24 R N -0.834 119.668 120.500 0.005 0.000 2.774 24 R HA 0.562 4.903 4.340 0.001 0.000 0.272 24 R C -0.305 175.995 176.300 0.000 0.000 1.000 24 R CA -0.911 55.194 56.100 0.007 0.000 0.906 24 R CB 1.206 31.511 30.300 0.009 0.000 1.227 24 R HN 0.318 nan 8.270 nan 0.000 0.468 25 R N 0.919 121.420 120.500 0.001 0.000 2.288 25 R HA 0.508 4.848 4.340 0.001 0.000 0.326 25 R C -0.686 175.595 176.300 -0.031 0.000 0.959 25 R CA -0.725 55.362 56.100 -0.023 0.000 0.834 25 R CB 1.733 32.021 30.300 -0.020 0.000 1.157 25 R HN 0.164 nan 8.270 nan 0.000 0.470 26 V N 5.001 124.884 119.914 -0.052 0.000 2.444 26 V HA 0.286 4.407 4.120 0.001 0.000 0.294 26 V C -0.007 176.024 176.094 -0.105 0.000 1.022 26 V CA -0.792 61.478 62.300 -0.049 0.000 0.850 26 V CB 2.065 33.878 31.823 -0.018 0.000 0.992 26 V HN 0.642 nan 8.190 nan 0.000 0.426 27 L N 5.532 126.663 121.223 -0.154 0.000 2.290 27 L HA 0.430 4.770 4.340 0.001 0.000 0.284 27 L C -1.002 175.825 176.870 -0.073 0.000 1.078 27 L CA -0.702 54.011 54.840 -0.213 0.000 0.815 27 L CB 1.302 43.145 42.059 -0.360 0.000 1.162 27 L HN 0.475 nan 8.230 nan 0.000 0.435 28 L N 5.384 126.588 121.223 -0.032 0.000 2.270 28 L HA 0.394 4.734 4.340 0.001 0.000 0.286 28 L C -0.261 176.702 176.870 0.156 0.000 1.059 28 L CA 0.209 55.119 54.840 0.117 0.000 0.839 28 L CB -0.014 42.091 42.059 0.076 0.000 1.221 28 L HN 0.595 nan 8.230 nan 0.000 0.431 29 D N 1.274 121.798 120.400 0.206 0.000 10.807 29 D HA -0.250 4.390 4.640 0.001 0.000 0.359 29 D C -0.484 175.833 176.300 0.028 0.000 3.110 29 D CA 0.326 54.439 54.000 0.189 0.000 2.589 29 D CB -0.210 40.807 40.800 0.361 0.000 1.188 29 D HN 0.644 nan 8.370 nan 0.000 0.949 30 C N 2.183 121.493 119.300 0.016 0.000 3.079 30 C HA 0.560 5.021 4.460 0.001 0.000 0.246 30 C C 0.571 175.553 174.990 -0.014 0.000 1.025 30 C CA 0.411 59.428 59.018 -0.003 0.000 1.081 30 C CB -0.640 27.102 27.740 0.002 0.000 1.757 30 C HN 0.666 nan 8.230 nan 0.000 0.646 31 G N 2.466 111.199 108.800 -0.112 0.000 2.547 31 G HA2 0.641 4.602 3.960 0.001 0.000 0.291 31 G HA3 0.641 4.602 3.960 0.001 0.000 0.291 31 G C -0.307 174.455 174.900 -0.231 0.000 1.211 31 G CA -0.545 44.463 45.100 -0.154 0.000 0.950 31 G HN 0.834 nan 8.290 nan 0.000 0.504 32 M N -0.547 118.952 119.600 -0.169 0.000 2.472 32 M HA 0.686 5.167 4.480 0.001 0.000 0.331 32 M C -1.261 174.894 176.300 -0.241 0.000 1.170 32 M CA -0.653 54.537 55.300 -0.183 0.000 1.009 32 M CB 1.563 34.217 32.600 0.089 0.000 1.672 32 M HN 0.210 nan 8.290 nan 0.000 0.453 33 F N 1.699 121.599 119.950 -0.083 0.000 2.471 33 F HA 0.371 4.899 4.527 0.001 0.000 0.353 33 F C 0.556 176.339 175.800 -0.028 0.000 1.113 33 F CA 0.306 58.268 58.000 -0.063 0.000 1.262 33 F CB 0.685 39.630 39.000 -0.092 0.000 1.146 33 F HN 0.622 nan 8.300 nan 0.000 0.578 34 Q N 0.556 120.451 119.800 0.160 0.000 2.544 34 Q HA 0.584 4.925 4.340 0.001 0.000 0.291 34 Q C 0.465 176.527 176.000 0.102 0.000 1.068 34 Q CA -0.555 55.319 55.803 0.118 0.000 0.785 34 Q CB 2.386 31.178 28.738 0.089 0.000 1.481 34 Q HN 0.858 nan 8.270 nan 0.000 0.430 35 G N 1.320 110.177 108.800 0.094 0.000 2.591 35 G HA2 -0.432 3.529 3.960 0.001 0.000 0.298 35 G HA3 -0.432 3.529 3.960 0.001 0.000 0.298 35 G C 0.557 175.494 174.900 0.061 0.000 1.195 35 G CA 0.771 45.919 45.100 0.079 0.000 0.989 35 G HN 0.656 nan 8.290 nan 0.000 0.551 36 K N 0.555 120.983 120.400 0.046 0.000 1.974 36 K HA -0.187 4.134 4.320 0.001 0.000 0.232 36 K C 1.910 178.513 176.600 0.005 0.000 1.027 36 K CA 2.110 58.411 56.287 0.022 0.000 1.049 36 K CB -0.420 32.088 32.500 0.013 0.000 0.732 36 K HN 0.542 nan 8.250 nan 0.000 0.452 37 E N 1.374 121.569 120.200 -0.009 0.000 2.533 37 E HA -0.138 4.213 4.350 0.001 0.000 0.201 37 E C 1.438 178.008 176.600 -0.051 0.000 1.097 37 E CA 0.272 56.623 56.400 -0.082 0.000 0.887 37 E CB -0.244 29.355 29.700 -0.168 0.000 0.855 37 E HN 0.313 nan 8.360 nan 0.000 0.540 38 E N 1.155 121.379 120.200 0.040 0.000 2.301 38 E HA -0.224 4.127 4.350 0.001 0.000 0.202 38 E C 1.379 177.999 176.600 0.033 0.000 1.017 38 E CA 1.086 57.533 56.400 0.079 0.000 0.831 38 E CB 0.062 29.818 29.700 0.094 0.000 0.742 38 E HN 0.287 nan 8.360 nan 0.000 0.491 39 A N 0.171 122.990 122.820 -0.001 0.000 2.169 39 A HA -0.001 4.320 4.320 0.001 0.000 0.212 39 A C 2.009 179.567 177.584 -0.043 0.000 1.153 39 A CA 0.263 52.321 52.037 0.035 0.000 0.756 39 A CB -0.171 18.843 19.000 0.022 0.000 0.813 39 A HN 0.092 nan 8.150 nan 0.000 0.471 40 R N -0.081 120.290 120.500 -0.215 0.000 2.276 40 R HA -0.003 4.337 4.340 0.001 0.000 0.203 40 R C 0.894 177.028 176.300 -0.277 0.000 1.017 40 R CA 0.781 56.652 56.100 -0.382 0.000 1.010 40 R CB -0.313 29.424 30.300 -0.939 0.000 0.900 40 R HN 0.675 nan 8.270 nan 0.000 0.469 41 N N -0.208 118.316 118.700 -0.294 0.000 2.585 41 N HA -0.137 4.604 4.740 0.001 0.000 0.188 41 N C 0.946 175.980 175.510 -0.794 0.000 1.102 41 N CA 0.438 53.070 53.050 -0.696 0.000 0.920 41 N CB 0.065 37.683 38.487 -1.449 0.000 0.963 41 N HN 0.311 nan 8.380 nan 0.000 0.447 42 H N -0.108 118.792 119.070 -0.283 0.000 2.553 42 H HA 0.253 4.810 4.556 0.001 0.000 0.276 42 H C 0.949 176.169 175.328 -0.180 0.000 0.979 42 H CA 0.074 56.025 56.048 -0.162 0.000 1.268 42 H CB 0.092 29.810 29.762 -0.074 0.000 1.450 42 H HN 0.130 nan 8.280 nan 0.000 0.527 43 A N 3.514 126.271 122.820 -0.104 0.000 2.425 43 A HA 0.218 4.539 4.320 0.001 0.000 0.242 43 A C -1.724 175.737 177.584 -0.205 0.000 1.077 43 A CA -0.919 51.037 52.037 -0.135 0.000 0.781 43 A CB -0.248 18.653 19.000 -0.164 0.000 1.020 43 A HN 0.063 nan 8.150 nan 0.000 0.494 44 P HA 0.057 nan 4.420 nan 0.000 0.269 44 P C 0.256 177.423 177.300 -0.222 0.000 1.209 44 P CA -0.028 62.948 63.100 -0.207 0.000 0.776 44 P CB 0.273 31.912 31.700 -0.102 0.000 0.876 45 F N 1.471 121.220 119.950 -0.336 0.000 2.087 45 F HA -0.121 4.406 4.527 0.001 0.000 0.299 45 F C 2.294 177.785 175.800 -0.514 0.000 1.100 45 F CA 2.758 60.393 58.000 -0.610 0.000 1.226 45 F CB -1.031 37.027 39.000 -1.570 0.000 0.983 45 F HN 0.648 nan 8.300 nan 0.000 0.479 46 G N -1.325 107.308 108.800 -0.278 0.000 2.211 46 G HA2 -0.186 3.775 3.960 0.001 0.000 0.201 46 G HA3 -0.186 3.775 3.960 0.001 0.000 0.201 46 G C 0.045 174.805 174.900 -0.233 0.000 0.997 46 G CA -0.140 44.918 45.100 -0.070 0.000 0.652 46 G HN 0.496 nan 8.290 nan 0.000 0.500 47 F N -0.276 119.444 119.950 -0.385 0.000 2.626 47 F HA 0.761 5.289 4.527 0.001 0.000 0.311 47 F C -0.820 174.890 175.800 -0.150 0.000 1.088 47 F CA -1.833 55.980 58.000 -0.313 0.000 0.949 47 F CB 1.064 39.743 39.000 -0.536 0.000 1.322 47 F HN -0.023 nan 8.300 nan 0.000 0.461 48 D N 2.480 122.910 120.400 0.050 0.000 2.365 48 D HA 0.418 5.059 4.640 0.001 0.000 0.237 48 D C -1.937 174.401 176.300 0.063 0.000 1.190 48 D CA -2.200 51.806 54.000 0.011 0.000 0.867 48 D CB 1.453 42.276 40.800 0.037 0.000 1.050 48 D HN 0.218 nan 8.370 nan 0.000 0.491 49 P HA -0.159 nan 4.420 nan 0.000 0.220 49 P C 0.628 177.980 177.300 0.086 0.000 1.144 49 P CA 1.156 64.248 63.100 -0.013 0.000 0.800 49 P CB 0.218 31.870 31.700 -0.081 0.000 0.772 50 K N -0.744 119.688 120.400 0.053 0.000 2.365 50 K HA -0.015 4.305 4.320 0.001 0.000 0.197 50 K C 0.730 177.353 176.600 0.039 0.000 1.042 50 K CA 0.710 57.016 56.287 0.032 0.000 0.987 50 K CB 0.085 32.591 32.500 0.011 0.000 0.779 50 K HN 0.124 nan 8.250 nan 0.000 0.484 51 E N 1.293 121.530 120.200 0.061 0.000 2.405 51 E HA 0.092 4.443 4.350 0.001 0.000 0.214 51 E C -0.871 175.768 176.600 0.065 0.000 1.101 51 E CA 0.006 56.438 56.400 0.053 0.000 1.254 51 E CB 0.541 30.270 29.700 0.049 0.000 1.240 51 E HN -0.092 nan 8.360 nan 0.000 0.439 52 V N 1.455 121.438 119.914 0.114 0.000 2.448 52 V HA 0.141 4.261 4.120 0.001 0.000 0.295 52 V C 0.887 177.115 176.094 0.223 0.000 1.025 52 V CA -0.582 61.792 62.300 0.123 0.000 0.859 52 V CB 2.029 33.889 31.823 0.061 0.000 0.988 52 V HN 0.096 nan 8.190 nan 0.000 0.431 53 D N 3.144 123.626 120.400 0.137 0.000 2.249 53 D HA 0.275 4.915 4.640 0.001 0.000 0.205 53 D C 0.581 177.015 176.300 0.223 0.000 0.962 53 D CA 1.140 55.220 54.000 0.133 0.000 0.860 53 D CB 1.072 41.916 40.800 0.072 0.000 0.955 53 D HN 0.659 nan 8.370 nan 0.000 0.505 54 A N -0.112 122.844 122.820 0.227 0.000 2.601 54 A HA 0.531 4.851 4.320 0.001 0.000 0.291 54 A C -1.594 176.061 177.584 0.117 0.000 1.075 54 A CA -0.584 51.621 52.037 0.280 0.000 0.671 54 A CB 1.490 20.664 19.000 0.289 0.000 1.277 54 A HN -0.105 nan 8.150 nan 0.000 0.417 55 V N 0.592 120.600 119.914 0.158 0.000 2.709 55 V HA 0.659 4.779 4.120 0.001 0.000 0.308 55 V C -1.203 175.016 176.094 0.208 0.000 1.062 55 V CA -0.444 61.885 62.300 0.049 0.000 0.901 55 V CB 1.525 33.282 31.823 -0.108 0.000 1.003 55 V HN 0.739 nan 8.190 nan 0.000 0.425 56 L N 5.015 126.354 121.223 0.192 0.000 2.362 56 L HA 0.641 4.982 4.340 0.001 0.000 0.275 56 L C -0.939 176.114 176.870 0.305 0.000 0.998 56 L CA -0.330 54.696 54.840 0.309 0.000 0.820 56 L CB 1.811 44.031 42.059 0.269 0.000 1.270 56 L HN 0.382 nan 8.230 nan 0.000 0.415 57 L N 2.322 123.730 121.223 0.308 0.000 2.305 57 L HA 0.412 4.752 4.340 0.001 0.000 0.284 57 L C 1.345 178.248 176.870 0.056 0.000 1.013 57 L CA -0.057 54.888 54.840 0.175 0.000 0.819 57 L CB 1.397 43.509 42.059 0.088 0.000 1.227 57 L HN 0.821 nan 8.230 nan 0.000 0.417 58 T N -0.783 113.821 114.554 0.084 0.000 2.904 58 T HA 0.025 4.375 4.350 0.001 0.000 0.267 58 T C 0.532 175.200 174.700 -0.055 0.000 1.059 58 T CA 1.205 63.263 62.100 -0.070 0.000 1.137 58 T CB -0.206 68.672 68.868 0.016 0.000 0.879 58 T HN 0.672 nan 8.240 nan 0.000 0.467 59 H N -2.559 116.365 119.070 -0.244 0.000 2.935 59 H HA 0.613 5.169 4.556 0.001 0.000 0.297 59 H C 0.545 175.784 175.328 -0.148 0.000 1.423 59 H CA -0.641 55.255 56.048 -0.254 0.000 1.161 59 H CB 0.997 30.587 29.762 -0.286 0.000 1.841 59 H HN 0.023 nan 8.280 nan 0.000 0.506 60 A N 0.020 122.741 122.820 -0.165 0.000 2.209 60 A HA -0.024 4.297 4.320 0.001 0.000 0.212 60 A C 0.538 178.081 177.584 -0.069 0.000 1.158 60 A CA 0.261 52.215 52.037 -0.139 0.000 0.742 60 A CB -1.330 17.599 19.000 -0.118 0.000 0.790 60 A HN 0.665 nan 8.150 nan 0.000 0.472 61 H N -0.916 118.071 119.070 -0.137 0.000 3.001 61 H HA 0.032 4.589 4.556 0.001 0.000 0.334 61 H C 1.297 176.625 175.328 0.000 0.000 1.034 61 H CA -0.565 55.467 56.048 -0.026 0.000 1.420 61 H CB 0.668 30.481 29.762 0.086 0.000 1.405 61 H HN 0.181 nan 8.280 nan 0.000 0.593 62 L N 2.924 124.255 121.223 0.179 0.000 2.089 62 L HA -0.236 4.104 4.340 0.001 0.000 0.213 62 L C 1.999 178.919 176.870 0.085 0.000 1.079 62 L CA 1.870 56.779 54.840 0.114 0.000 0.758 62 L CB -0.742 41.383 42.059 0.111 0.000 0.891 62 L HN 0.816 nan 8.230 nan 0.000 0.433 63 D N -3.230 117.225 120.400 0.092 0.000 2.338 63 D HA -0.155 4.486 4.640 0.001 0.000 0.239 63 D C 1.246 177.470 176.300 -0.125 0.000 1.095 63 D CA 0.582 54.581 54.000 -0.002 0.000 0.888 63 D CB -0.210 40.599 40.800 0.015 0.000 0.899 63 D HN 0.531 nan 8.370 nan 0.000 0.525 64 H N -0.616 118.430 119.070 -0.039 0.000 3.643 64 H HA 0.099 4.656 4.556 0.001 0.000 0.256 64 H C 1.573 176.864 175.328 -0.062 0.000 1.107 64 H CA 0.661 56.665 56.048 -0.073 0.000 1.175 64 H CB 1.709 31.306 29.762 -0.275 0.000 1.519 64 H HN 0.194 nan 8.280 nan 0.000 0.565 65 V N -3.392 116.549 119.914 0.045 0.000 3.426 65 V HA 0.419 4.540 4.120 0.001 0.000 0.279 65 V C 2.043 178.142 176.094 0.008 0.000 1.544 65 V CA 0.839 63.152 62.300 0.022 0.000 1.017 65 V CB 0.268 32.093 31.823 0.004 0.000 0.821 65 V HN 0.183 nan 8.190 nan 0.000 0.432 66 G N 1.389 110.209 108.800 0.033 0.000 2.513 66 G HA2 -0.276 3.685 3.960 0.001 0.000 0.219 66 G HA3 -0.276 3.685 3.960 0.001 0.000 0.219 66 G C 1.591 176.534 174.900 0.072 0.000 1.160 66 G CA 1.310 46.453 45.100 0.072 0.000 0.767 66 G HN 0.514 nan 8.290 nan 0.000 0.571 67 R N -0.354 120.206 120.500 0.099 0.000 2.319 67 R HA 0.192 4.533 4.340 0.001 0.000 0.204 67 R C 2.174 178.573 176.300 0.166 0.000 0.954 67 R CA -0.159 56.045 56.100 0.174 0.000 1.066 67 R CB -0.165 30.224 30.300 0.148 0.000 0.991 67 R HN 0.370 nan 8.270 nan 0.000 0.486 68 L N 2.072 123.325 121.223 0.050 0.000 2.046 68 L HA -0.062 4.278 4.340 0.001 0.000 0.208 68 L C -1.017 175.930 176.870 0.129 0.000 1.077 68 L CA 1.873 56.766 54.840 0.088 0.000 0.747 68 L CB -0.636 41.456 42.059 0.055 0.000 0.896 68 L HN 0.027 nan 8.230 nan 0.000 0.432 69 P HA -0.222 nan 4.420 nan 0.000 0.220 69 P C 1.326 178.684 177.300 0.095 0.000 1.148 69 P CA 1.459 64.469 63.100 -0.150 0.000 0.803 69 P CB -0.115 31.163 31.700 -0.703 0.000 0.782 70 K N -0.319 120.161 120.400 0.134 0.000 2.148 70 K HA -0.114 4.207 4.320 0.001 0.000 0.204 70 K C 2.110 178.958 176.600 0.413 0.000 1.050 70 K CA 0.614 57.097 56.287 0.328 0.000 0.942 70 K CB -0.487 32.220 32.500 0.345 0.000 0.724 70 K HN -0.011 nan 8.250 nan 0.000 0.446 71 L N 0.289 121.764 121.223 0.419 0.000 2.056 71 L HA -0.079 4.262 4.340 0.001 0.000 0.207 71 L C 1.785 178.717 176.870 0.103 0.000 1.078 71 L CA 1.556 56.510 54.840 0.190 0.000 0.749 71 L CB -0.293 41.660 42.059 -0.177 0.000 0.901 71 L HN 0.097 nan 8.230 nan 0.000 0.433 72 F N -0.499 119.521 119.950 0.117 0.000 2.206 72 F HA -0.083 4.445 4.527 0.001 0.000 0.298 72 F C 2.659 178.522 175.800 0.106 0.000 1.090 72 F CA 1.281 59.342 58.000 0.103 0.000 1.323 72 F CB -0.460 38.570 39.000 0.050 0.000 1.028 72 F HN 0.006 nan 8.300 nan 0.000 0.492 73 R N 0.933 121.619 120.500 0.310 0.000 2.241 73 R HA -0.127 4.214 4.340 0.001 0.000 0.224 73 R C 0.598 177.005 176.300 0.178 0.000 1.101 73 R CA 1.320 57.559 56.100 0.232 0.000 0.995 73 R CB -0.200 30.249 30.300 0.247 0.000 0.870 73 R HN 0.340 nan 8.270 nan 0.000 0.463 74 E N -1.513 118.793 120.200 0.176 0.000 2.585 74 E HA 0.172 4.523 4.350 0.001 0.000 0.206 74 E C 0.423 177.073 176.600 0.084 0.000 1.007 74 E CA 0.269 56.749 56.400 0.132 0.000 1.028 74 E CB 1.339 31.143 29.700 0.173 0.000 1.087 74 E HN 0.551 nan 8.360 nan 0.000 0.455 75 G N 1.444 110.283 108.800 0.066 0.000 2.424 75 G HA2 -0.313 3.648 3.960 0.001 0.000 0.207 75 G HA3 -0.313 3.648 3.960 0.001 0.000 0.207 75 G C -0.027 174.840 174.900 -0.055 0.000 1.061 75 G CA -0.357 44.753 45.100 0.017 0.000 0.657 75 G HN 0.383 nan 8.290 nan 0.000 0.508 76 Y N 2.909 123.068 120.300 -0.235 0.000 2.810 76 Y HA 0.449 4.999 4.550 0.001 0.000 0.332 76 Y C 1.234 176.786 175.900 -0.581 0.000 1.243 76 Y CA 0.748 58.596 58.100 -0.421 0.000 1.537 76 Y CB 0.532 38.639 38.460 -0.589 0.000 1.265 76 Y HN 0.149 nan 8.280 nan 0.000 0.572 77 R N 4.431 124.313 120.500 -1.030 0.000 2.592 77 R HA 0.228 4.569 4.340 0.001 0.000 0.439 77 R C 0.330 176.199 176.300 -0.718 0.000 0.995 77 R CA 0.286 55.966 56.100 -0.699 0.000 1.141 77 R CB 0.484 30.657 30.300 -0.212 0.000 1.495 77 R HN 0.869 nan 8.270 nan 0.000 0.579 78 G N 1.914 109.802 108.800 -1.520 0.000 2.543 78 G HA2 0.371 4.331 3.960 0.001 0.000 0.290 78 G HA3 0.371 4.331 3.960 0.001 0.000 0.290 78 G C -2.387 172.504 174.900 -0.016 0.000 1.310 78 G CA -0.862 43.823 45.100 -0.692 0.000 1.025 78 G HN -0.115 nan 8.290 nan 0.000 0.502 79 P HA 0.303 nan 4.420 nan 0.000 0.274 79 P C -0.889 176.515 177.300 0.173 0.000 1.246 79 P CA -0.263 62.909 63.100 0.120 0.000 0.795 79 P CB 1.631 33.266 31.700 -0.109 0.000 1.006 80 V N 2.337 122.245 119.914 -0.010 0.000 2.419 80 V HA 0.240 4.361 4.120 0.001 0.000 0.287 80 V C -0.688 175.341 176.094 -0.107 0.000 1.017 80 V CA -0.507 61.835 62.300 0.071 0.000 0.844 80 V CB 0.552 32.495 31.823 0.201 0.000 1.011 80 V HN 0.379 nan 8.190 nan 0.000 0.429 81 Y N 2.940 123.321 120.300 0.135 0.000 2.313 81 Y HA 0.799 5.350 4.550 0.001 0.000 0.332 81 Y C 0.539 176.573 175.900 0.223 0.000 1.071 81 Y CA -0.140 58.037 58.100 0.128 0.000 1.169 81 Y CB 1.818 40.305 38.460 0.046 0.000 1.192 81 Y HN 0.793 nan 8.280 nan 0.000 0.487 82 A N 0.836 123.855 122.820 0.331 0.000 2.601 82 A HA 0.616 4.937 4.320 0.001 0.000 0.291 82 A C -0.334 177.305 177.584 0.091 0.000 1.075 82 A CA -0.751 51.410 52.037 0.208 0.000 0.671 82 A CB 0.392 19.414 19.000 0.038 0.000 1.277 82 A HN 0.680 nan 8.150 nan 0.000 0.417 83 T N -1.126 113.339 114.554 -0.149 0.000 2.802 83 T HA 0.322 4.673 4.350 0.001 0.000 0.305 83 T C 1.148 175.754 174.700 -0.156 0.000 1.053 83 T CA 0.345 62.333 62.100 -0.187 0.000 1.058 83 T CB 0.587 69.205 68.868 -0.417 0.000 0.988 83 T HN 0.825 nan 8.240 nan 0.000 0.539 84 R N 1.341 121.802 120.500 -0.065 0.000 2.091 84 R HA -0.016 4.325 4.340 0.001 0.000 0.238 84 R C 2.552 178.704 176.300 -0.246 0.000 1.136 84 R CA 2.079 58.141 56.100 -0.064 0.000 0.959 84 R CB -1.433 28.918 30.300 0.086 0.000 0.856 84 R HN 0.856 nan 8.270 nan 0.000 0.437 85 A N -0.894 121.546 122.820 -0.633 0.000 1.902 85 A HA -0.151 4.169 4.320 0.001 0.000 0.217 85 A C 2.261 179.582 177.584 -0.438 0.000 1.181 85 A CA 2.133 53.719 52.037 -0.751 0.000 0.623 85 A CB -1.118 17.002 19.000 -1.468 0.000 0.818 85 A HN 0.474 nan 8.150 nan 0.000 0.443 86 T N -0.309 114.008 114.554 -0.394 0.000 2.708 86 T HA -0.131 4.220 4.350 0.001 0.000 0.266 86 T C 1.894 176.495 174.700 -0.165 0.000 1.037 86 T CA 1.585 63.533 62.100 -0.253 0.000 1.146 86 T CB -0.464 68.263 68.868 -0.235 0.000 0.865 86 T HN 0.160 nan 8.240 nan 0.000 0.435 87 V N 1.621 121.449 119.914 -0.143 0.000 2.255 87 V HA -0.168 3.952 4.120 0.001 0.000 0.247 87 V C 2.504 178.547 176.094 -0.085 0.000 1.051 87 V CA 1.658 63.904 62.300 -0.091 0.000 1.018 87 V CB -0.685 31.096 31.823 -0.070 0.000 0.641 87 V HN 0.457 nan 8.190 nan 0.000 0.445 88 L N -1.018 120.145 121.223 -0.102 0.000 2.083 88 L HA -0.179 4.161 4.340 0.001 0.000 0.209 88 L C 2.371 179.203 176.870 -0.063 0.000 1.083 88 L CA 1.407 56.203 54.840 -0.075 0.000 0.752 88 L CB -0.468 41.544 42.059 -0.077 0.000 0.899 88 L HN 0.315 nan 8.230 nan 0.000 0.433 89 L N -1.202 119.969 121.223 -0.087 0.000 2.156 89 L HA -0.155 4.186 4.340 0.001 0.000 0.208 89 L C 2.617 179.462 176.870 -0.041 0.000 1.095 89 L CA 0.881 55.685 54.840 -0.060 0.000 0.770 89 L CB -0.190 41.815 42.059 -0.090 0.000 0.914 89 L HN 0.307 nan 8.230 nan 0.000 0.439 90 M N -0.644 118.924 119.600 -0.053 0.000 2.159 90 M HA -0.248 4.232 4.480 0.001 0.000 0.263 90 M C 2.177 178.465 176.300 -0.021 0.000 1.063 90 M CA 1.651 56.930 55.300 -0.036 0.000 1.110 90 M CB -0.263 32.309 32.600 -0.046 0.000 1.374 90 M HN 0.244 nan 8.290 nan 0.000 0.411 91 E N 1.031 121.216 120.200 -0.026 0.000 2.038 91 E HA -0.215 4.135 4.350 0.001 0.000 0.195 91 E C 1.825 178.426 176.600 0.000 0.000 1.000 91 E CA 1.441 57.832 56.400 -0.016 0.000 0.803 91 E CB -0.065 29.623 29.700 -0.020 0.000 0.750 91 E HN 0.483 nan 8.360 nan 0.000 0.448 92 I N 0.477 121.047 120.570 0.000 0.000 2.127 92 I HA -0.276 3.894 4.170 0.001 0.000 0.241 92 I C 2.447 178.581 176.117 0.027 0.000 1.075 92 I CA 0.892 62.199 61.300 0.012 0.000 1.334 92 I CB -0.279 37.725 38.000 0.008 0.000 1.040 92 I HN 0.092 nan 8.210 nan 0.000 0.405 93 V N 0.510 120.443 119.914 0.031 0.000 2.343 93 V HA -0.263 3.857 4.120 0.001 0.000 0.247 93 V C 2.334 178.466 176.094 0.065 0.000 1.051 93 V CA 1.535 63.867 62.300 0.054 0.000 1.036 93 V CB -0.472 31.386 31.823 0.058 0.000 0.654 93 V HN 0.302 nan 8.190 nan 0.000 0.451 94 L N -0.533 120.719 121.223 0.048 0.000 2.131 94 L HA -0.016 4.325 4.340 0.001 0.000 0.206 94 L C 2.350 179.280 176.870 0.099 0.000 1.087 94 L CA 1.566 56.447 54.840 0.069 0.000 0.767 94 L CB -0.798 41.270 42.059 0.015 0.000 0.917 94 L HN 0.284 nan 8.230 nan 0.000 0.441 95 E N -0.408 119.829 120.200 0.062 0.000 2.051 95 E HA -0.238 4.113 4.350 0.001 0.000 0.192 95 E C 1.984 178.616 176.600 0.054 0.000 0.991 95 E CA 1.461 57.893 56.400 0.053 0.000 0.799 95 E CB -0.164 29.555 29.700 0.031 0.000 0.748 95 E HN 0.446 nan 8.360 nan 0.000 0.449 96 D N -0.581 119.852 120.400 0.055 0.000 2.084 96 D HA -0.170 4.471 4.640 0.001 0.000 0.194 96 D C 1.852 178.188 176.300 0.060 0.000 0.990 96 D CA 1.487 55.519 54.000 0.053 0.000 0.826 96 D CB -0.038 40.797 40.800 0.057 0.000 0.971 96 D HN 0.206 nan 8.370 nan 0.000 0.453 97 A N 1.699 124.574 122.820 0.091 0.000 1.917 97 A HA -0.172 4.149 4.320 0.001 0.000 0.219 97 A C 2.547 180.155 177.584 0.039 0.000 1.182 97 A CA 1.140 53.241 52.037 0.107 0.000 0.633 97 A CB -1.020 18.096 19.000 0.192 0.000 0.819 97 A HN 0.454 nan 8.150 nan 0.000 0.448 98 L N -1.001 120.251 121.223 0.049 0.000 2.042 98 L HA -0.220 4.121 4.340 0.001 0.000 0.210 98 L C 2.577 179.382 176.870 -0.109 0.000 1.076 98 L CA 2.404 57.186 54.840 -0.097 0.000 0.749 98 L CB -0.287 41.775 42.059 0.006 0.000 0.893 98 L HN 0.530 nan 8.230 nan 0.000 0.432 99 K N -0.803 119.576 120.400 -0.035 0.000 2.098 99 K HA -0.029 4.292 4.320 0.001 0.000 0.203 99 K C 0.815 177.404 176.600 -0.019 0.000 1.051 99 K CA 0.650 56.921 56.287 -0.025 0.000 0.957 99 K CB 0.329 32.830 32.500 0.002 0.000 0.738 99 K HN 0.182 nan 8.250 nan 0.000 0.447 100 V N 2.633 122.547 119.914 0.001 0.000 2.224 100 V HA 0.244 4.365 4.120 0.001 0.000 0.289 100 V C -0.418 175.683 176.094 0.011 0.000 1.518 100 V CA -0.009 62.301 62.300 0.017 0.000 1.533 100 V CB -0.265 31.584 31.823 0.043 0.000 1.460 100 V HN 0.297 nan 8.190 nan 0.000 0.515 101 M N 0.832 120.417 119.600 -0.025 0.000 2.284 101 M HA 0.328 4.809 4.480 0.001 0.000 0.229 101 M C 0.028 176.300 176.300 -0.047 0.000 0.984 101 M CA -0.278 55.002 55.300 -0.032 0.000 1.016 101 M CB 1.328 33.870 32.600 -0.096 0.000 2.379 101 M HN 0.231 nan 8.290 nan 0.000 0.459 102 D N 2.344 122.742 120.400 -0.002 0.000 2.120 102 D HA -0.167 4.473 4.640 0.001 0.000 0.191 102 D C 0.070 176.369 176.300 -0.002 0.000 0.994 102 D CA 1.632 55.632 54.000 -0.000 0.000 0.838 102 D CB 0.247 41.059 40.800 0.021 0.000 0.976 102 D HN 0.708 nan 8.370 nan 0.000 0.447 103 E N 2.088 122.316 120.200 0.047 0.000 1.936 103 E HA 0.158 4.509 4.350 0.001 0.000 0.267 103 E C -2.351 174.331 176.600 0.136 0.000 1.076 103 E CA -1.813 54.638 56.400 0.085 0.000 0.870 103 E CB 0.913 30.686 29.700 0.122 0.000 1.093 103 E HN 0.026 nan 8.360 nan 0.000 0.411 104 P HA 0.028 nan 4.420 nan 0.000 0.275 104 P C -0.363 176.937 177.300 0.001 0.000 1.228 104 P CA -0.230 62.732 63.100 -0.229 0.000 0.786 104 P CB 0.416 31.866 31.700 -0.417 0.000 0.927 105 F N 0.310 120.252 119.950 -0.013 0.000 2.653 105 F HA 0.453 4.980 4.527 0.001 0.000 0.304 105 F C 0.048 176.001 175.800 0.254 0.000 1.092 105 F CA -0.966 57.108 58.000 0.123 0.000 1.279 105 F CB -0.274 38.672 39.000 -0.089 0.000 1.044 105 F HN 0.120 nan 8.300 nan 0.000 0.564 106 F N -1.052 118.808 119.950 -0.150 0.000 2.773 106 F HA 0.905 5.433 4.527 0.001 0.000 0.314 106 F C -0.409 175.339 175.800 -0.087 0.000 1.160 106 F CA -1.975 55.985 58.000 -0.066 0.000 0.920 106 F CB 0.824 39.787 39.000 -0.061 0.000 1.323 106 F HN 0.008 nan 8.300 nan 0.000 0.457 107 G N -0.440 108.421 108.800 0.102 0.000 2.685 107 G HA2 0.628 4.588 3.960 0.001 0.000 0.298 107 G HA3 0.628 4.588 3.960 0.001 0.000 0.298 107 G C -2.531 172.428 174.900 0.099 0.000 1.277 107 G CA -1.984 43.110 45.100 -0.010 0.000 0.986 107 G HN 0.499 nan 8.290 nan 0.000 0.487 108 P HA -0.132 nan 4.420 nan 0.000 0.223 108 P C 1.169 178.506 177.300 0.062 0.000 1.144 108 P CA 1.213 64.345 63.100 0.052 0.000 0.783 108 P CB 0.304 32.012 31.700 0.013 0.000 0.771 109 E N 0.187 120.426 120.200 0.065 0.000 2.216 109 E HA -0.134 4.217 4.350 0.001 0.000 0.192 109 E C 1.137 177.783 176.600 0.077 0.000 0.988 109 E CA 0.863 57.300 56.400 0.061 0.000 0.834 109 E CB -0.821 28.915 29.700 0.060 0.000 0.772 109 E HN 0.232 nan 8.360 nan 0.000 0.479 110 D N 1.508 121.980 120.400 0.121 0.000 2.120 110 D HA -0.055 4.585 4.640 0.001 0.000 0.202 110 D C 2.314 178.631 176.300 0.029 0.000 0.972 110 D CA 0.964 55.040 54.000 0.126 0.000 0.837 110 D CB -0.159 40.776 40.800 0.225 0.000 0.989 110 D HN 0.051 nan 8.370 nan 0.000 0.469 111 V N 1.593 121.556 119.914 0.083 0.000 2.324 111 V HA -0.258 3.863 4.120 0.001 0.000 0.250 111 V C 2.463 178.522 176.094 -0.058 0.000 1.060 111 V CA 1.925 64.229 62.300 0.006 0.000 1.042 111 V CB -0.499 31.384 31.823 0.100 0.000 0.650 111 V HN 0.246 nan 8.190 nan 0.000 0.450 112 E N -0.428 119.759 120.200 -0.022 0.000 2.204 112 E HA -0.264 4.087 4.350 0.001 0.000 0.194 112 E C 2.132 178.689 176.600 -0.071 0.000 0.989 112 E CA 1.179 57.558 56.400 -0.036 0.000 0.824 112 E CB 0.081 29.778 29.700 -0.005 0.000 0.756 112 E HN 0.621 nan 8.360 nan 0.000 0.477 113 E N 0.340 120.486 120.200 -0.091 0.000 2.076 113 E HA -0.050 4.301 4.350 0.001 0.000 0.190 113 E C 1.679 177.997 176.600 -0.470 0.000 0.979 113 E CA 1.294 57.627 56.400 -0.111 0.000 0.807 113 E CB -0.244 29.459 29.700 0.003 0.000 0.761 113 E HN 0.309 nan 8.360 nan 0.000 0.454 114 A N 0.788 123.113 122.820 -0.825 0.000 1.845 114 A HA -0.139 4.182 4.320 0.001 0.000 0.215 114 A C 2.303 179.605 177.584 -0.470 0.000 1.195 114 A CA 1.554 52.848 52.037 -1.237 0.000 0.616 114 A CB -1.037 17.561 19.000 -0.670 0.000 0.832 114 A HN 0.325 nan 8.150 nan 0.000 0.443 115 L N -0.410 120.659 121.223 -0.256 0.000 2.197 115 L HA -0.215 4.125 4.340 0.001 0.000 0.215 115 L C 2.627 179.432 176.870 -0.108 0.000 1.095 115 L CA 1.059 55.819 54.840 -0.133 0.000 0.764 115 L CB -0.773 41.230 42.059 -0.093 0.000 0.897 115 L HN 0.543 nan 8.230 nan 0.000 0.436 116 G N -1.657 107.073 108.800 -0.116 0.000 2.484 116 G HA2 -0.196 3.764 3.960 0.001 0.000 0.218 116 G HA3 -0.196 3.764 3.960 0.001 0.000 0.218 116 G C 0.971 175.744 174.900 -0.212 0.000 1.130 116 G CA 0.264 45.279 45.100 -0.142 0.000 0.784 116 G HN 0.454 nan 8.290 nan 0.000 0.543 117 H N -0.578 118.429 119.070 -0.105 0.000 2.551 117 H HA 0.341 4.897 4.556 0.001 0.000 0.271 117 H C 0.714 176.021 175.328 -0.034 0.000 0.984 117 H CA -0.431 55.619 56.048 0.003 0.000 1.164 117 H CB 0.172 30.078 29.762 0.240 0.000 1.437 117 H HN 0.143 nan 8.280 nan 0.000 0.550 118 L N 1.717 122.948 121.223 0.012 0.000 2.462 118 L HA 0.153 4.494 4.340 0.001 0.000 0.272 118 L C 0.168 176.988 176.870 -0.083 0.000 1.166 118 L CA 0.363 55.184 54.840 -0.031 0.000 0.880 118 L CB 0.433 42.471 42.059 -0.035 0.000 1.142 118 L HN 0.133 nan 8.230 nan 0.000 0.473 119 R N 4.991 125.402 120.500 -0.148 0.000 2.534 119 R HA 0.427 4.767 4.340 0.001 0.000 0.301 119 R C -2.408 173.877 176.300 -0.025 0.000 0.961 119 R CA -1.582 54.429 56.100 -0.149 0.000 0.871 119 R CB 1.909 31.994 30.300 -0.357 0.000 1.170 119 R HN 0.341 nan 8.270 nan 0.000 0.446 120 P HA 0.103 nan 4.420 nan 0.000 0.271 120 P C -1.203 176.181 177.300 0.140 0.000 1.218 120 P CA -0.292 62.849 63.100 0.068 0.000 0.780 120 P CB 1.090 32.813 31.700 0.038 0.000 0.901 121 L N 1.899 123.213 121.223 0.151 0.000 2.661 121 L HA 0.332 4.672 4.340 0.001 0.000 0.263 121 L C -0.522 176.419 176.870 0.118 0.000 0.956 121 L CA -0.235 54.685 54.840 0.133 0.000 0.918 121 L CB 1.434 43.580 42.059 0.144 0.000 1.280 121 L HN 0.208 nan 8.230 nan 0.000 0.416 122 E N 2.392 122.597 120.200 0.008 0.000 2.292 122 E HA 0.317 4.668 4.350 0.001 0.000 0.258 122 E C -0.985 175.552 176.600 -0.104 0.000 1.115 122 E CA -0.532 55.815 56.400 -0.088 0.000 0.929 122 E CB 0.497 30.174 29.700 -0.039 0.000 1.161 122 E HN 0.396 nan 8.360 nan 0.000 0.453 123 Y N -0.052 120.266 120.300 0.030 0.000 2.620 123 Y HA 0.229 4.780 4.550 0.001 0.000 0.330 123 Y C 1.734 177.565 175.900 -0.116 0.000 1.186 123 Y CA 1.391 59.461 58.100 -0.051 0.000 1.467 123 Y CB 0.096 38.509 38.460 -0.079 0.000 1.262 123 Y HN 0.758 nan 8.280 nan 0.000 0.550 124 G N 1.554 110.306 108.800 -0.079 0.000 2.225 124 G HA2 -0.285 3.675 3.960 0.001 0.000 0.254 124 G HA3 -0.285 3.675 3.960 0.001 0.000 0.254 124 G C 0.072 174.814 174.900 -0.264 0.000 0.988 124 G CA -0.030 44.973 45.100 -0.162 0.000 0.625 124 G HN 0.587 nan 8.290 nan 0.000 0.527 125 E N -0.209 119.842 120.200 -0.249 0.000 2.259 125 E HA 0.390 4.741 4.350 0.001 0.000 0.281 125 E C -0.433 175.944 176.600 -0.373 0.000 1.037 125 E CA -0.710 55.576 56.400 -0.189 0.000 0.854 125 E CB 0.471 30.107 29.700 -0.106 0.000 1.051 125 E HN 0.371 nan 8.360 nan 0.000 0.409 126 W N 3.784 125.030 121.300 -0.090 0.000 2.365 126 W HA 0.314 4.974 4.660 0.001 0.000 0.316 126 W C -0.400 176.029 176.519 -0.150 0.000 1.164 126 W CA -0.552 56.721 57.345 -0.119 0.000 1.204 126 W CB 0.609 30.021 29.460 -0.080 0.000 1.213 126 W HN 0.331 nan 8.180 nan 0.000 0.539 127 L N 4.628 125.838 121.223 -0.020 0.000 2.329 127 L HA 0.594 4.935 4.340 0.001 0.000 0.279 127 L C -0.506 176.332 176.870 -0.053 0.000 1.014 127 L CA -0.884 53.870 54.840 -0.143 0.000 0.814 127 L CB 0.885 42.688 42.059 -0.427 0.000 1.257 127 L HN 0.270 nan 8.230 nan 0.000 0.424 128 R N 5.859 126.330 120.500 -0.048 0.000 2.338 128 R HA 0.608 4.949 4.340 0.001 0.000 0.317 128 R C -1.503 174.777 176.300 -0.034 0.000 0.968 128 R CA -0.530 55.558 56.100 -0.020 0.000 0.849 128 R CB 1.344 31.642 30.300 -0.003 0.000 1.128 128 R HN 0.698 nan 8.270 nan 0.000 0.448 129 L N 2.632 123.840 121.223 -0.024 0.000 2.529 129 L HA 0.282 4.623 4.340 0.001 0.000 0.258 129 L C 0.743 177.610 176.870 -0.004 0.000 1.032 129 L CA -0.338 54.495 54.840 -0.013 0.000 0.899 129 L CB 1.698 43.745 42.059 -0.022 0.000 1.174 129 L HN 0.967 nan 8.230 nan 0.000 0.458 130 G N 2.410 111.210 108.800 0.000 0.000 2.531 130 G HA2 -0.315 3.646 3.960 0.001 0.000 0.274 130 G HA3 -0.315 3.646 3.960 0.001 0.000 0.274 130 G C 0.571 175.468 174.900 -0.005 0.000 1.159 130 G CA 0.334 45.434 45.100 -0.001 0.000 0.969 130 G HN 0.823 nan 8.290 nan 0.000 0.554 131 A N -0.613 122.204 122.820 -0.006 0.000 2.370 131 A HA 0.653 4.973 4.320 0.001 0.000 0.238 131 A C 0.569 178.148 177.584 -0.009 0.000 1.289 131 A CA 1.270 53.300 52.037 -0.011 0.000 0.885 131 A CB -0.141 18.853 19.000 -0.010 0.000 0.961 131 A HN 1.654 nan 8.150 nan 0.000 0.499 132 L N -0.251 120.970 121.223 -0.003 0.000 2.331 132 L HA 0.709 5.050 4.340 0.001 0.000 0.275 132 L C -0.546 176.335 176.870 0.019 0.000 1.022 132 L CA -0.047 54.797 54.840 0.007 0.000 0.812 132 L CB 2.101 44.163 42.059 0.005 0.000 1.257 132 L HN -0.015 nan 8.230 nan 0.000 0.435 133 S N 4.869 120.604 115.700 0.058 0.000 2.532 133 S HA 0.825 5.296 4.470 0.001 0.000 0.299 133 S C -0.965 173.786 174.600 0.251 0.000 1.105 133 S CA -0.466 57.822 58.200 0.146 0.000 1.018 133 S CB 1.366 64.627 63.200 0.101 0.000 1.021 133 S HN 0.491 nan 8.310 nan 0.000 0.483 134 L N 1.980 123.309 121.223 0.177 0.000 2.354 134 L HA 0.988 5.329 4.340 0.001 0.000 0.264 134 L C -0.351 176.299 176.870 -0.366 0.000 1.008 134 L CA -0.537 54.284 54.840 -0.033 0.000 0.819 134 L CB 1.989 43.949 42.059 -0.165 0.000 1.339 134 L HN 0.786 nan 8.230 nan 0.000 0.420 135 A N 1.031 123.485 122.820 -0.609 0.000 2.566 135 A HA 0.787 5.108 4.320 0.001 0.000 0.297 135 A C -1.582 175.664 177.584 -0.564 0.000 1.059 135 A CA -0.444 51.046 52.037 -0.911 0.000 0.691 135 A CB 0.910 18.841 19.000 -1.781 0.000 1.282 135 A HN 0.327 nan 8.150 nan 0.000 0.401 136 F N 0.990 120.686 119.950 -0.424 0.000 2.375 136 F HA 0.626 5.154 4.527 0.001 0.000 0.333 136 F C 1.156 176.697 175.800 -0.432 0.000 1.104 136 F CA -0.095 57.684 58.000 -0.368 0.000 1.149 136 F CB 1.771 40.580 39.000 -0.317 0.000 1.190 136 F HN 0.736 nan 8.300 nan 0.000 0.533 137 G N 0.854 109.297 108.800 -0.595 0.000 2.498 137 G HA2 0.461 4.421 3.960 0.001 0.000 0.312 137 G HA3 0.461 4.421 3.960 0.001 0.000 0.312 137 G C -1.558 172.988 174.900 -0.589 0.000 1.230 137 G CA -0.755 43.740 45.100 -1.007 0.000 0.968 137 G HN 0.443 nan 8.290 nan 0.000 0.481 138 Q N 0.120 119.716 119.800 -0.340 0.000 2.281 138 Q HA 0.522 4.863 4.340 0.001 0.000 0.267 138 Q C 0.699 176.736 176.000 0.062 0.000 1.053 138 Q CA 0.597 56.195 55.803 -0.342 0.000 0.905 138 Q CB 1.186 29.657 28.738 -0.446 0.000 1.195 138 Q HN 0.584 nan 8.270 nan 0.000 0.398 139 A N 3.597 126.434 122.820 0.028 0.000 2.252 139 A HA 0.394 4.715 4.320 0.001 0.000 0.213 139 A C 1.295 178.827 177.584 -0.086 0.000 1.188 139 A CA 0.331 52.386 52.037 0.031 0.000 0.863 139 A CB -0.435 18.531 19.000 -0.057 0.000 0.893 139 A HN 1.284 nan 8.150 nan 0.000 0.495 140 G N -0.459 108.285 108.800 -0.094 0.000 2.379 140 G HA2 -0.360 3.601 3.960 0.001 0.000 0.297 140 G HA3 -0.360 3.601 3.960 0.001 0.000 0.297 140 G C 0.529 175.370 174.900 -0.098 0.000 1.004 140 G CA 1.331 46.372 45.100 -0.099 0.000 0.921 140 G HN 0.830 nan 8.290 nan 0.000 0.511 141 H N -0.995 117.916 119.070 -0.265 0.000 2.481 141 H HA 0.605 5.162 4.556 0.001 0.000 0.291 141 H C 1.098 176.263 175.328 -0.272 0.000 1.009 141 H CA 1.085 56.939 56.048 -0.324 0.000 1.282 141 H CB 0.335 29.798 29.762 -0.498 0.000 1.457 141 H HN 0.377 nan 8.280 nan 0.000 0.525 142 L N 0.223 121.233 121.223 -0.354 0.000 2.409 142 L HA 0.411 4.752 4.340 0.001 0.000 0.255 142 L C -2.509 174.196 176.870 -0.275 0.000 1.027 142 L CA -2.492 52.135 54.840 -0.354 0.000 0.834 142 L CB 2.743 44.554 42.059 -0.413 0.000 1.426 142 L HN -0.014 nan 8.230 nan 0.000 0.411 143 P HA 0.118 nan 4.420 nan 0.000 0.263 143 P C 0.490 177.517 177.300 -0.455 0.000 1.195 143 P CA 0.845 63.673 63.100 -0.453 0.000 0.762 143 P CB 0.561 31.860 31.700 -0.667 0.000 0.799 144 G N 2.126 110.711 108.800 -0.358 0.000 2.176 144 G HA2 -0.239 3.721 3.960 0.001 0.000 0.253 144 G HA3 -0.239 3.721 3.960 0.001 0.000 0.253 144 G C 0.333 175.094 174.900 -0.232 0.000 0.979 144 G CA 0.213 45.076 45.100 -0.395 0.000 0.641 144 G HN 0.739 nan 8.290 nan 0.000 0.530 145 S N -0.281 115.330 115.700 -0.149 0.000 2.576 145 S HA 0.850 5.320 4.470 0.001 0.000 0.276 145 S C 0.257 174.794 174.600 -0.107 0.000 1.339 145 S CA 0.779 58.864 58.200 -0.191 0.000 1.039 145 S CB 2.251 65.289 63.200 -0.271 0.000 0.902 145 S HN 2.056 nan 8.310 nan 0.000 0.516 146 A N 1.569 124.247 122.820 -0.238 0.000 2.609 146 A HA 0.786 5.106 4.320 0.001 0.000 0.291 146 A C -0.767 176.737 177.584 -0.135 0.000 1.096 146 A CA -1.146 50.782 52.037 -0.182 0.000 0.684 146 A CB 0.795 19.496 19.000 -0.497 0.000 1.282 146 A HN 1.240 nan 8.150 nan 0.000 0.412 147 F N -0.578 119.356 119.950 -0.026 0.000 2.557 147 F HA 0.886 5.414 4.527 0.001 0.000 0.336 147 F C -0.534 175.366 175.800 0.166 0.000 1.058 147 F CA -1.265 56.714 58.000 -0.035 0.000 0.988 147 F CB 1.150 40.182 39.000 0.052 0.000 1.275 147 F HN 0.319 nan 8.300 nan 0.000 0.488 148 V N 1.931 122.110 119.914 0.440 0.000 2.628 148 V HA 0.561 4.681 4.120 0.001 0.000 0.306 148 V C -0.661 175.656 176.094 0.371 0.000 1.045 148 V CA -0.892 61.623 62.300 0.357 0.000 0.905 148 V CB 1.733 33.783 31.823 0.379 0.000 0.997 148 V HN 0.744 nan 8.190 nan 0.000 0.436 149 V N 3.315 123.345 119.914 0.193 0.000 2.448 149 V HA 0.815 4.936 4.120 0.001 0.000 0.295 149 V C 0.147 176.332 176.094 0.150 0.000 1.025 149 V CA -0.415 62.008 62.300 0.204 0.000 0.859 149 V CB 1.644 33.573 31.823 0.176 0.000 0.988 149 V HN 1.011 nan 8.190 nan 0.000 0.431 150 A N 4.627 127.547 122.820 0.167 0.000 2.319 150 A HA 0.793 5.114 4.320 0.001 0.000 0.310 150 A C -0.724 176.941 177.584 0.135 0.000 1.152 150 A CA -0.546 51.572 52.037 0.135 0.000 0.783 150 A CB 1.572 20.628 19.000 0.094 0.000 1.184 150 A HN 0.611 nan 8.150 nan 0.000 0.474 151 Q N 1.535 121.422 119.800 0.146 0.000 2.337 151 Q HA 0.689 5.030 4.340 0.001 0.000 0.270 151 Q C -0.620 175.406 176.000 0.042 0.000 1.043 151 Q CA -0.137 55.720 55.803 0.090 0.000 0.794 151 Q CB 2.100 30.891 28.738 0.089 0.000 1.281 151 Q HN 1.476 nan 8.270 nan 0.000 0.446 152 G N 1.775 110.586 108.800 0.018 0.000 2.404 152 G HA2 0.267 4.228 3.960 0.001 0.000 0.298 152 G HA3 0.267 4.228 3.960 0.001 0.000 0.298 152 G C -1.154 173.745 174.900 -0.001 0.000 1.577 152 G CA -0.403 44.699 45.100 0.002 0.000 0.847 152 G HN 0.664 nan 8.290 nan 0.000 0.598 153 E N -0.904 119.291 120.200 -0.008 0.000 2.476 153 E HA -0.222 4.128 4.350 0.001 0.000 0.251 153 E C 1.375 177.970 176.600 -0.009 0.000 1.130 153 E CA 1.336 57.731 56.400 -0.008 0.000 0.736 153 E CB -1.353 28.344 29.700 -0.005 0.000 1.298 153 E HN 2.536 nan 8.360 nan 0.000 0.400 154 G N 0.081 108.874 108.800 -0.013 0.000 2.225 154 G HA2 -0.372 3.589 3.960 0.001 0.000 0.267 154 G HA3 -0.372 3.589 3.960 0.001 0.000 0.267 154 G C 0.106 175.002 174.900 -0.007 0.000 1.024 154 G CA 0.907 45.999 45.100 -0.014 0.000 0.784 154 G HN 0.241 nan 8.290 nan 0.000 0.507 155 R N -0.892 119.608 120.500 0.000 0.000 2.837 155 R HA 0.699 5.039 4.340 0.001 0.000 0.271 155 R C -0.905 175.408 176.300 0.022 0.000 0.993 155 R CA -0.462 55.642 56.100 0.007 0.000 0.931 155 R CB 1.879 32.182 30.300 0.006 0.000 1.206 155 R HN 0.149 nan 8.270 nan 0.000 0.474 156 T N 2.141 116.712 114.554 0.028 0.000 2.879 156 T HA 0.402 4.753 4.350 0.001 0.000 0.290 156 T C -0.943 173.789 174.700 0.053 0.000 0.993 156 T CA -0.626 61.505 62.100 0.051 0.000 0.975 156 T CB 1.416 70.316 68.868 0.053 0.000 0.981 156 T HN 0.336 nan 8.240 nan 0.000 0.439 157 L N 3.904 125.172 121.223 0.075 0.000 2.346 157 L HA 0.885 5.226 4.340 0.001 0.000 0.274 157 L C -1.342 175.608 176.870 0.134 0.000 1.007 157 L CA -0.606 54.283 54.840 0.081 0.000 0.818 157 L CB 1.678 43.776 42.059 0.066 0.000 1.284 157 L HN 0.467 nan 8.230 nan 0.000 0.424 158 V N 5.384 125.386 119.914 0.147 0.000 2.444 158 V HA 0.331 4.451 4.120 0.001 0.000 0.294 158 V C -1.162 175.113 176.094 0.302 0.000 1.022 158 V CA -0.460 61.976 62.300 0.227 0.000 0.850 158 V CB 1.409 33.316 31.823 0.140 0.000 0.992 158 V HN 0.740 nan 8.190 nan 0.000 0.426 159 Y N 4.225 124.651 120.300 0.210 0.000 2.342 159 Y HA 0.316 4.867 4.550 0.001 0.000 0.338 159 Y C 1.497 177.541 175.900 0.240 0.000 0.965 159 Y CA -0.228 57.968 58.100 0.161 0.000 1.159 159 Y CB 1.980 40.526 38.460 0.144 0.000 1.157 159 Y HN 0.767 nan 8.280 nan 0.000 0.486 160 S N 4.068 119.802 115.700 0.056 0.000 2.428 160 S HA 0.160 4.631 4.470 0.001 0.000 0.230 160 S C 1.300 175.597 174.600 -0.505 0.000 1.014 160 S CA 0.696 58.751 58.200 -0.242 0.000 0.957 160 S CB -0.638 62.308 63.200 -0.424 0.000 0.784 160 S HN 1.368 nan 8.310 nan 0.000 0.499 161 G N 1.549 109.779 108.800 -0.950 0.000 2.566 161 G HA2 -0.236 3.724 3.960 0.001 0.000 0.280 161 G HA3 -0.236 3.724 3.960 0.001 0.000 0.280 161 G C -1.038 173.593 174.900 -0.450 0.000 1.225 161 G CA 0.357 45.020 45.100 -0.730 0.000 0.966 161 G HN 0.553 nan 8.290 nan 0.000 0.560 162 D N 0.671 120.724 120.400 -0.579 0.000 2.217 162 D HA 0.619 5.260 4.640 0.001 0.000 0.243 162 D C 0.323 176.220 176.300 -0.671 0.000 1.054 162 D CA -0.273 53.307 54.000 -0.701 0.000 0.838 162 D CB 1.306 41.491 40.800 -1.025 0.000 1.162 162 D HN 0.492 nan 8.370 nan 0.000 0.472 163 L N 1.885 122.774 121.223 -0.557 0.000 2.275 163 L HA 0.507 4.848 4.340 0.001 0.000 0.288 163 L C 1.348 178.036 176.870 -0.303 0.000 1.046 163 L CA -0.705 53.846 54.840 -0.483 0.000 0.805 163 L CB 1.403 43.084 42.059 -0.630 0.000 1.193 163 L HN 0.347 nan 8.230 nan 0.000 0.426 164 G N 1.753 110.439 108.800 -0.189 0.000 2.611 164 G HA2 -0.000 3.960 3.960 0.001 0.000 0.273 164 G HA3 -0.000 3.960 3.960 0.001 0.000 0.273 164 G C -0.301 174.552 174.900 -0.079 0.000 1.305 164 G CA -0.526 44.527 45.100 -0.079 0.000 1.010 164 G HN 0.790 nan 8.290 nan 0.000 0.509 165 N N -0.633 118.024 118.700 -0.072 0.000 2.589 165 N HA 0.096 4.837 4.740 0.001 0.000 0.232 165 N C 1.727 177.188 175.510 -0.080 0.000 1.015 165 N CA -0.567 52.446 53.050 -0.062 0.000 0.931 165 N CB 0.470 38.844 38.487 -0.187 0.000 1.150 165 N HN 0.603 nan 8.380 nan 0.000 0.512 166 R N 2.916 123.403 120.500 -0.021 0.000 2.249 166 R HA -0.142 4.199 4.340 0.001 0.000 0.230 166 R C 0.423 176.684 176.300 -0.065 0.000 1.121 166 R CA 1.280 57.361 56.100 -0.033 0.000 0.997 166 R CB -0.149 30.158 30.300 0.012 0.000 0.867 166 R HN 0.623 nan 8.270 nan 0.000 0.465 167 E N 0.995 121.152 120.200 -0.071 0.000 2.347 167 E HA -0.034 4.317 4.350 0.001 0.000 0.196 167 E C -0.012 176.359 176.600 -0.380 0.000 1.008 167 E CA 0.596 56.933 56.400 -0.104 0.000 0.852 167 E CB 0.172 29.889 29.700 0.028 0.000 0.783 167 E HN 0.435 nan 8.360 nan 0.000 0.505 168 K N 0.819 120.887 120.400 -0.553 0.000 2.107 168 K HA 0.057 4.377 4.320 0.001 0.000 0.251 168 K C 0.371 176.666 176.600 -0.508 0.000 1.012 168 K CA -0.312 55.381 56.287 -0.989 0.000 0.920 168 K CB 0.643 32.741 32.500 -0.670 0.000 1.033 168 K HN -0.162 nan 8.250 nan 0.000 0.478 169 D N 0.249 120.402 120.400 -0.411 0.000 2.305 169 D HA -0.065 4.575 4.640 0.001 0.000 0.206 169 D C 1.585 177.804 176.300 -0.135 0.000 0.974 169 D CA 0.645 54.578 54.000 -0.111 0.000 0.871 169 D CB 0.141 41.026 40.800 0.140 0.000 0.947 169 D HN 0.149 nan 8.370 nan 0.000 0.516 170 V N 0.722 120.526 119.914 -0.183 0.000 2.407 170 V HA -0.080 4.041 4.120 0.001 0.000 0.245 170 V C 0.882 177.002 176.094 0.044 0.000 1.041 170 V CA 0.836 63.029 62.300 -0.179 0.000 1.040 170 V CB -0.046 31.722 31.823 -0.093 0.000 0.671 170 V HN 0.087 nan 8.190 nan 0.000 0.455 171 L N 1.103 122.337 121.223 0.018 0.000 2.360 171 L HA 0.484 4.825 4.340 0.001 0.000 0.271 171 L C -2.215 174.645 176.870 -0.016 0.000 1.057 171 L CA -2.761 52.096 54.840 0.029 0.000 0.803 171 L CB 0.511 42.552 42.059 -0.030 0.000 1.207 171 L HN 0.064 nan 8.230 nan 0.000 0.445 172 P HA 0.080 nan 4.420 nan 0.000 0.271 172 P C -0.823 176.442 177.300 -0.059 0.000 1.218 172 P CA -0.531 62.542 63.100 -0.046 0.000 0.780 172 P CB 0.698 32.350 31.700 -0.079 0.000 0.901 173 D N 2.885 123.260 120.400 -0.042 0.000 2.449 173 D HA 0.117 4.758 4.640 0.001 0.000 0.236 173 D C -1.950 174.342 176.300 -0.012 0.000 1.149 173 D CA -0.679 53.306 54.000 -0.025 0.000 0.878 173 D CB -0.810 39.988 40.800 -0.004 0.000 1.198 173 D HN 0.253 nan 8.370 nan 0.000 0.446 174 P HA 0.049 nan 4.420 nan 0.000 0.269 174 P C -0.459 176.946 177.300 0.175 0.000 1.209 174 P CA -0.189 62.962 63.100 0.084 0.000 0.776 174 P CB 0.620 32.349 31.700 0.048 0.000 0.876 175 S N 2.955 118.819 115.700 0.274 0.000 2.541 175 S HA 0.371 4.842 4.470 0.001 0.000 0.283 175 S C -0.065 174.746 174.600 0.351 0.000 1.196 175 S CA -0.744 57.610 58.200 0.257 0.000 1.062 175 S CB -0.087 63.243 63.200 0.216 0.000 1.009 175 S HN 0.235 nan 8.310 nan 0.000 0.502 176 L N 4.877 126.162 121.223 0.102 0.000 2.483 176 L HA 0.343 4.683 4.340 0.001 0.000 0.275 176 L C -1.583 175.130 176.870 -0.262 0.000 1.220 176 L CA -1.436 53.270 54.840 -0.223 0.000 0.833 176 L CB 0.210 42.147 42.059 -0.203 0.000 1.102 176 L HN 0.619 nan 8.230 nan 0.000 0.490 177 P HA 0.348 nan 4.420 nan 0.000 0.281 177 P C -2.698 174.439 177.300 -0.272 0.000 1.264 177 P CA -1.598 61.157 63.100 -0.575 0.000 0.824 177 P CB 0.506 31.476 31.700 -1.216 0.000 1.092 178 P HA 0.212 nan 4.420 nan 0.000 0.278 178 P C -0.306 176.943 177.300 -0.085 0.000 1.258 178 P CA -0.569 62.513 63.100 -0.029 0.000 0.811 178 P CB 0.532 32.280 31.700 0.080 0.000 1.063 179 L N 0.990 122.175 121.223 -0.064 0.000 2.490 179 L HA 0.373 4.713 4.340 0.001 0.000 0.274 179 L C -0.240 176.607 176.870 -0.038 0.000 1.201 179 L CA 0.485 55.284 54.840 -0.068 0.000 0.869 179 L CB -0.652 41.379 42.059 -0.047 0.000 1.123 179 L HN 0.608 nan 8.230 nan 0.000 0.484 180 A N 3.795 126.589 122.820 -0.044 0.000 2.498 180 A HA 0.479 4.800 4.320 0.001 0.000 0.298 180 A C 0.300 177.878 177.584 -0.011 0.000 1.075 180 A CA -0.524 51.505 52.037 -0.013 0.000 0.714 180 A CB 0.847 19.846 19.000 -0.002 0.000 1.299 180 A HN 0.775 nan 8.150 nan 0.000 0.407 181 D N -0.474 119.927 120.400 0.001 0.000 2.277 181 D HA 0.079 4.720 4.640 0.001 0.000 0.208 181 D C -0.263 176.037 176.300 0.000 0.000 0.962 181 D CA 1.432 55.431 54.000 -0.001 0.000 0.865 181 D CB 0.321 41.122 40.800 0.002 0.000 0.939 181 D HN 0.263 nan 8.370 nan 0.000 0.510 182 L N 0.327 121.555 121.223 0.008 0.000 2.543 182 L HA 0.272 4.613 4.340 0.001 0.000 0.265 182 L C -1.641 175.248 176.870 0.031 0.000 0.945 182 L CA -0.631 54.217 54.840 0.012 0.000 0.869 182 L CB 2.424 44.487 42.059 0.006 0.000 1.294 182 L HN -0.371 nan 8.230 nan 0.000 0.405 183 V N 5.597 125.533 119.914 0.036 0.000 2.350 183 V HA 0.417 4.538 4.120 0.001 0.000 0.285 183 V C -0.480 175.666 176.094 0.087 0.000 1.014 183 V CA -0.526 61.821 62.300 0.078 0.000 0.831 183 V CB 1.523 33.392 31.823 0.077 0.000 1.000 183 V HN 0.633 nan 8.190 nan 0.000 0.433 184 L N 6.031 127.318 121.223 0.107 0.000 2.312 184 L HA 0.767 5.108 4.340 0.001 0.000 0.287 184 L C 0.381 177.350 176.870 0.164 0.000 1.091 184 L CA 0.297 55.175 54.840 0.063 0.000 0.846 184 L CB 0.322 42.343 42.059 -0.063 0.000 1.219 184 L HN 0.723 nan 8.230 nan 0.000 0.439 185 A N 4.186 127.074 122.820 0.113 0.000 2.330 185 A HA 0.733 5.054 4.320 0.001 0.000 0.329 185 A C -0.539 177.081 177.584 0.060 0.000 1.135 185 A CA -0.692 51.398 52.037 0.087 0.000 0.817 185 A CB 0.841 19.898 19.000 0.095 0.000 1.269 185 A HN 0.759 nan 8.150 nan 0.000 0.469 186 E N 0.034 120.227 120.200 -0.013 0.000 2.319 186 E HA 0.570 4.921 4.350 0.001 0.000 0.268 186 E C 0.383 176.976 176.600 -0.012 0.000 1.050 186 E CA -0.166 56.228 56.400 -0.011 0.000 0.878 186 E CB 1.184 30.743 29.700 -0.235 0.000 1.066 186 E HN 0.644 nan 8.360 nan 0.000 0.406 187 G N 1.293 110.122 108.800 0.049 0.000 4.530 187 G HA2 0.020 3.981 3.960 0.001 0.000 0.284 187 G HA3 0.020 3.981 3.960 0.001 0.000 0.284 187 G C 0.649 175.575 174.900 0.044 0.000 1.008 187 G CA 0.081 45.204 45.100 0.038 0.000 0.770 187 G HN 0.519 nan 8.290 nan 0.000 0.424 188 T N 0.657 115.244 114.554 0.056 0.000 2.656 188 T HA -0.293 4.057 4.350 0.001 0.000 0.262 188 T C 1.066 175.733 174.700 -0.055 0.000 1.070 188 T CA 1.727 63.823 62.100 -0.005 0.000 1.160 188 T CB -0.290 68.495 68.868 -0.139 0.000 0.855 188 T HN 0.354 nan 8.240 nan 0.000 0.456 189 Y N 0.566 120.802 120.300 -0.107 0.000 2.736 189 Y HA 0.528 5.079 4.550 0.001 0.000 0.293 189 Y C 1.700 177.584 175.900 -0.025 0.000 1.062 189 Y CA -1.275 56.790 58.100 -0.059 0.000 1.247 189 Y CB -0.216 38.240 38.460 -0.007 0.000 1.200 189 Y HN 0.206 nan 8.280 nan 0.000 0.552 190 G N 0.203 109.052 108.800 0.081 0.000 2.501 190 G HA2 -0.267 3.694 3.960 0.001 0.000 0.220 190 G HA3 -0.267 3.694 3.960 0.001 0.000 0.220 190 G C 1.332 176.261 174.900 0.047 0.000 1.114 190 G CA 1.272 46.406 45.100 0.056 0.000 0.757 190 G HN 0.494 nan 8.290 nan 0.000 0.559 191 D N -0.001 120.424 120.400 0.042 0.000 2.323 191 D HA -0.004 4.636 4.640 0.001 0.000 0.209 191 D C 1.149 177.482 176.300 0.054 0.000 0.973 191 D CA 0.136 54.158 54.000 0.037 0.000 0.874 191 D CB 0.040 40.852 40.800 0.020 0.000 0.930 191 D HN 0.575 nan 8.370 nan 0.000 0.521 192 R N -1.164 119.387 120.500 0.085 0.000 2.687 192 R HA 0.424 4.765 4.340 0.001 0.000 0.265 192 R C -3.412 172.936 176.300 0.080 0.000 1.048 192 R CA -1.441 54.708 56.100 0.082 0.000 0.884 192 R CB 0.779 31.140 30.300 0.101 0.000 1.258 192 R HN -0.229 nan 8.270 nan 0.000 0.469 193 P HA 0.145 nan 4.420 nan 0.000 0.277 193 P C -1.059 176.213 177.300 -0.047 0.000 1.240 193 P CA -0.207 62.836 63.100 -0.094 0.000 0.798 193 P CB 0.602 32.237 31.700 -0.107 0.000 0.979 194 H N 0.402 119.509 119.070 0.062 0.000 2.505 194 H HA 0.410 4.966 4.556 0.001 0.000 0.355 194 H C 0.576 175.940 175.328 0.060 0.000 1.179 194 H CA -0.928 55.161 56.048 0.068 0.000 1.343 194 H CB 0.194 29.970 29.762 0.022 0.000 1.501 194 H HN 0.209 nan 8.280 nan 0.000 0.569 195 R N 0.883 121.553 120.500 0.283 0.000 2.694 195 R HA 0.209 4.550 4.340 0.001 0.000 0.268 195 R C -2.556 173.888 176.300 0.240 0.000 1.061 195 R CA -1.870 54.344 56.100 0.190 0.000 1.133 195 R CB -1.041 29.330 30.300 0.119 0.000 1.020 195 R HN 0.531 nan 8.270 nan 0.000 0.475 196 P HA -0.055 nan 4.420 nan 0.000 0.268 196 P C 0.074 177.421 177.300 0.079 0.000 1.208 196 P CA 0.151 63.337 63.100 0.143 0.000 0.777 196 P CB 0.211 31.963 31.700 0.086 0.000 0.875 197 Y N 2.907 123.176 120.300 -0.051 0.000 2.206 197 Y HA -0.100 4.451 4.550 0.001 0.000 0.292 197 Y C 2.291 178.115 175.900 -0.127 0.000 1.123 197 Y CA 1.257 59.264 58.100 -0.153 0.000 1.142 197 Y CB 0.003 38.380 38.460 -0.138 0.000 1.006 197 Y HN 0.174 nan 8.280 nan 0.000 0.518 198 R N 0.605 121.104 120.500 -0.002 0.000 2.096 198 R HA -0.246 4.094 4.340 0.001 0.000 0.240 198 R C 2.216 178.432 176.300 -0.139 0.000 1.139 198 R CA 2.216 58.278 56.100 -0.062 0.000 0.952 198 R CB -0.594 29.731 30.300 0.042 0.000 0.854 198 R HN 0.668 nan 8.270 nan 0.000 0.436 199 E N -0.015 120.131 120.200 -0.090 0.000 2.110 199 E HA -0.140 4.211 4.350 0.001 0.000 0.193 199 E C 1.590 178.113 176.600 -0.129 0.000 0.988 199 E CA 1.700 58.055 56.400 -0.074 0.000 0.804 199 E CB -0.416 29.269 29.700 -0.025 0.000 0.745 199 E HN 0.126 nan 8.360 nan 0.000 0.458 200 T N 1.018 115.430 114.554 -0.237 0.000 2.746 200 T HA -0.116 4.235 4.350 0.001 0.000 0.267 200 T C 2.057 176.562 174.700 -0.325 0.000 1.039 200 T CA 1.461 63.370 62.100 -0.318 0.000 1.142 200 T CB -0.278 68.233 68.868 -0.596 0.000 0.866 200 T HN 0.049 nan 8.240 nan 0.000 0.444 201 V N 1.323 120.944 119.914 -0.488 0.000 2.515 201 V HA -0.137 3.984 4.120 0.001 0.000 0.250 201 V C 2.624 178.663 176.094 -0.093 0.000 1.058 201 V CA 1.492 63.616 62.300 -0.293 0.000 1.064 201 V CB -0.576 30.987 31.823 -0.434 0.000 0.675 201 V HN 0.379 nan 8.190 nan 0.000 0.461 202 R N -0.232 120.201 120.500 -0.111 0.000 2.075 202 R HA -0.161 4.180 4.340 0.001 0.000 0.232 202 R C 2.405 178.685 176.300 -0.032 0.000 1.126 202 R CA 1.618 57.679 56.100 -0.064 0.000 0.963 202 R CB -0.238 30.034 30.300 -0.046 0.000 0.858 202 R HN 0.602 nan 8.270 nan 0.000 0.435 203 E N 0.192 120.387 120.200 -0.007 0.000 2.106 203 E HA -0.188 4.163 4.350 0.001 0.000 0.192 203 E C 1.698 178.311 176.600 0.023 0.000 0.984 203 E CA 0.743 57.147 56.400 0.006 0.000 0.806 203 E CB -0.059 29.661 29.700 0.032 0.000 0.750 203 E HN 0.264 nan 8.360 nan 0.000 0.458 204 F N 1.121 121.030 119.950 -0.068 0.000 2.069 204 F HA -0.218 4.309 4.527 0.001 0.000 0.298 204 F C 1.935 177.684 175.800 -0.087 0.000 1.113 204 F CA 1.374 59.354 58.000 -0.033 0.000 1.214 204 F CB -0.050 39.010 39.000 0.100 0.000 0.978 204 F HN -0.011 nan 8.300 nan 0.000 0.474 205 L N 0.220 121.337 121.223 -0.178 0.000 2.083 205 L HA -0.212 4.129 4.340 0.001 0.000 0.209 205 L C 2.510 179.240 176.870 -0.234 0.000 1.083 205 L CA 1.716 56.381 54.840 -0.291 0.000 0.752 205 L CB -0.859 41.088 42.059 -0.187 0.000 0.899 205 L HN 0.318 nan 8.230 nan 0.000 0.433 206 E N 0.973 121.080 120.200 -0.155 0.000 2.031 206 E HA -0.239 4.112 4.350 0.001 0.000 0.193 206 E C 2.312 178.813 176.600 -0.164 0.000 0.994 206 E CA 1.426 57.752 56.400 -0.123 0.000 0.800 206 E CB -0.035 29.618 29.700 -0.077 0.000 0.752 206 E HN 0.455 nan 8.360 nan 0.000 0.447 207 I N 0.952 121.388 120.570 -0.224 0.000 2.127 207 I HA -0.330 3.841 4.170 0.001 0.000 0.241 207 I C 2.607 178.566 176.117 -0.263 0.000 1.075 207 I CA 1.021 62.154 61.300 -0.279 0.000 1.334 207 I CB -0.347 37.397 38.000 -0.427 0.000 1.040 207 I HN 0.204 nan 8.210 nan 0.000 0.405 208 L N 0.213 121.215 121.223 -0.369 0.000 2.013 208 L HA -0.255 4.085 4.340 0.001 0.000 0.212 208 L C 2.754 179.493 176.870 -0.218 0.000 1.073 208 L CA 1.403 56.037 54.840 -0.344 0.000 0.753 208 L CB -0.668 41.086 42.059 -0.508 0.000 0.890 208 L HN 0.287 nan 8.230 nan 0.000 0.432 209 E N 0.161 120.243 120.200 -0.196 0.000 2.038 209 E HA -0.279 4.072 4.350 0.001 0.000 0.195 209 E C 2.094 178.636 176.600 -0.097 0.000 1.000 209 E CA 1.432 57.755 56.400 -0.129 0.000 0.803 209 E CB -0.143 29.492 29.700 -0.108 0.000 0.750 209 E HN 0.393 nan 8.360 nan 0.000 0.448 210 K N 0.149 120.493 120.400 -0.093 0.000 1.978 210 K HA -0.180 4.140 4.320 0.001 0.000 0.214 210 K C 2.342 178.911 176.600 -0.051 0.000 1.049 210 K CA 2.262 58.513 56.287 -0.060 0.000 0.939 210 K CB -0.457 32.013 32.500 -0.050 0.000 0.721 210 K HN 0.135 nan 8.250 nan 0.000 0.441 211 T N 0.385 114.903 114.554 -0.060 0.000 2.788 211 T HA -0.102 4.248 4.350 0.001 0.000 0.268 211 T C 2.003 176.676 174.700 -0.045 0.000 1.044 211 T CA 1.301 63.377 62.100 -0.041 0.000 1.139 211 T CB -0.176 68.670 68.868 -0.036 0.000 0.867 211 T HN 0.274 nan 8.240 nan 0.000 0.454 212 L N 0.642 121.825 121.223 -0.067 0.000 2.093 212 L HA 0.009 4.350 4.340 0.001 0.000 0.208 212 L C 3.074 179.917 176.870 -0.045 0.000 1.085 212 L CA 1.206 56.011 54.840 -0.059 0.000 0.755 212 L CB -0.516 41.493 42.059 -0.083 0.000 0.904 212 L HN 0.288 nan 8.230 nan 0.000 0.435 213 S N -0.358 115.314 115.700 -0.047 0.000 2.474 213 S HA -0.156 4.315 4.470 0.001 0.000 0.235 213 S C 1.478 176.063 174.600 -0.024 0.000 0.997 213 S CA 0.853 59.032 58.200 -0.035 0.000 0.949 213 S CB -0.130 63.049 63.200 -0.036 0.000 0.766 213 S HN 0.574 nan 8.310 nan 0.000 0.517 214 Q N -0.131 119.656 119.800 -0.021 0.000 2.204 214 Q HA 0.454 4.795 4.340 0.001 0.000 0.209 214 Q C 0.978 176.973 176.000 -0.008 0.000 0.861 214 Q CA 0.319 56.114 55.803 -0.012 0.000 0.971 214 Q CB 0.095 28.828 28.738 -0.008 0.000 1.095 214 Q HN 0.285 nan 8.270 nan 0.000 0.486 215 G N 0.242 109.036 108.800 -0.011 0.000 2.168 215 G HA2 -0.307 3.653 3.960 0.001 0.000 0.263 215 G HA3 -0.307 3.653 3.960 0.001 0.000 0.263 215 G C 0.437 175.337 174.900 0.001 0.000 0.977 215 G CA -0.051 45.046 45.100 -0.004 0.000 0.659 215 G HN 0.706 nan 8.290 nan 0.000 0.533 216 G N -0.739 108.060 108.800 -0.003 0.000 2.621 216 G HA2 0.559 4.520 3.960 0.001 0.000 0.271 216 G HA3 0.559 4.520 3.960 0.001 0.000 0.271 216 G C -0.012 174.890 174.900 0.003 0.000 1.236 216 G CA -0.434 44.668 45.100 0.003 0.000 0.958 216 G HN 0.453 nan 8.290 nan 0.000 0.512 217 K N -0.727 119.679 120.400 0.009 0.000 2.221 217 K HA 0.496 4.816 4.320 0.001 0.000 0.258 217 K C -1.120 175.476 176.600 -0.006 0.000 0.944 217 K CA -0.661 55.632 56.287 0.009 0.000 0.823 217 K CB 2.638 35.153 32.500 0.025 0.000 1.113 217 K HN 0.145 nan 8.250 nan 0.000 0.431 218 V N 4.337 124.238 119.914 -0.023 0.000 2.350 218 V HA 0.212 4.333 4.120 0.001 0.000 0.276 218 V C -0.715 175.353 176.094 -0.044 0.000 1.028 218 V CA -0.861 61.416 62.300 -0.038 0.000 0.860 218 V CB 0.944 32.725 31.823 -0.071 0.000 0.990 218 V HN 0.494 nan 8.190 nan 0.000 0.453 219 L N 6.836 128.026 121.223 -0.054 0.000 2.282 219 L HA 0.591 4.932 4.340 0.001 0.000 0.288 219 L C -0.204 176.595 176.870 -0.120 0.000 1.033 219 L CA -0.126 54.660 54.840 -0.091 0.000 0.807 219 L CB 1.326 43.340 42.059 -0.074 0.000 1.209 219 L HN 0.472 nan 8.230 nan 0.000 0.423 220 I N 5.306 125.801 120.570 -0.124 0.000 2.493 220 I HA 0.300 4.471 4.170 0.001 0.000 0.279 220 I C -2.353 173.679 176.117 -0.142 0.000 1.045 220 I CA -1.721 59.502 61.300 -0.128 0.000 1.106 220 I CB 1.965 39.926 38.000 -0.065 0.000 1.216 220 I HN 0.368 nan 8.210 nan 0.000 0.459 221 P HA 0.178 nan 4.420 nan 0.000 0.271 221 P C -0.542 176.649 177.300 -0.183 0.000 1.220 221 P CA 0.039 63.055 63.100 -0.140 0.000 0.768 221 P CB 0.816 32.460 31.700 -0.094 0.000 0.848 222 T N -0.044 114.385 114.554 -0.209 0.000 2.900 222 T HA 0.605 4.956 4.350 0.001 0.000 0.303 222 T C -0.591 173.949 174.700 -0.267 0.000 1.142 222 T CA -0.773 61.182 62.100 -0.241 0.000 1.007 222 T CB 0.588 69.391 68.868 -0.108 0.000 1.156 222 T HN -0.024 nan 8.240 nan 0.000 0.490 223 F N 1.054 121.043 119.950 0.066 0.000 2.389 223 F HA 0.550 5.078 4.527 0.001 0.000 0.337 223 F C 1.819 177.651 175.800 0.054 0.000 1.112 223 F CA -0.596 57.447 58.000 0.072 0.000 1.192 223 F CB 0.881 39.935 39.000 0.090 0.000 1.185 223 F HN 0.878 nan 8.300 nan 0.000 0.552 224 A N 2.172 125.135 122.820 0.237 0.000 1.968 224 A HA -0.020 4.301 4.320 0.001 0.000 0.217 224 A C 1.953 179.600 177.584 0.106 0.000 1.169 224 A CA 1.132 53.244 52.037 0.125 0.000 0.638 224 A CB -0.696 18.365 19.000 0.101 0.000 0.812 224 A HN 0.611 nan 8.150 nan 0.000 0.446 225 V N -0.636 119.389 119.914 0.185 0.000 2.548 225 V HA -0.094 4.027 4.120 0.001 0.000 0.249 225 V C 2.213 178.374 176.094 0.113 0.000 1.055 225 V CA 2.154 64.544 62.300 0.150 0.000 1.065 225 V CB -0.091 31.881 31.823 0.248 0.000 0.681 225 V HN 0.725 nan 8.190 nan 0.000 0.462 226 E N -1.003 119.292 120.200 0.158 0.000 2.629 226 E HA 0.008 4.359 4.350 0.001 0.000 0.196 226 E C 2.033 178.715 176.600 0.137 0.000 0.977 226 E CA -0.012 56.468 56.400 0.134 0.000 1.663 226 E CB 0.221 29.966 29.700 0.075 0.000 2.258 226 E HN 0.265 nan 8.360 nan 0.000 1.079 227 R N 1.567 122.173 120.500 0.176 0.000 2.096 227 R HA 0.104 4.445 4.340 0.001 0.000 0.235 227 R C 2.036 178.369 176.300 0.055 0.000 1.127 227 R CA 1.987 58.175 56.100 0.147 0.000 0.968 227 R CB -0.680 29.769 30.300 0.248 0.000 0.861 227 R HN 0.170 nan 8.270 nan 0.000 0.440 228 A N 0.889 123.736 122.820 0.045 0.000 1.845 228 A HA -0.196 4.125 4.320 0.001 0.000 0.215 228 A C 1.887 179.479 177.584 0.014 0.000 1.195 228 A CA 1.640 53.675 52.037 -0.002 0.000 0.616 228 A CB -0.621 18.371 19.000 -0.014 0.000 0.832 228 A HN 0.504 nan 8.150 nan 0.000 0.443 229 Q N 0.124 119.916 119.800 -0.012 0.000 2.226 229 Q HA -0.221 4.120 4.340 0.001 0.000 0.204 229 Q C 1.684 177.869 176.000 0.308 0.000 0.975 229 Q CA 1.707 57.534 55.803 0.040 0.000 0.866 229 Q CB -0.659 27.868 28.738 -0.351 0.000 0.915 229 Q HN 0.884 nan 8.270 nan 0.000 0.440 230 E N 0.749 121.094 120.200 0.242 0.000 2.072 230 E HA -0.141 4.210 4.350 0.001 0.000 0.191 230 E C 1.957 178.693 176.600 0.228 0.000 0.985 230 E CA 0.784 57.363 56.400 0.299 0.000 0.801 230 E CB 0.120 29.950 29.700 0.217 0.000 0.750 230 E HN 0.233 nan 8.360 nan 0.000 0.452 231 I N 1.303 121.890 120.570 0.027 0.000 2.226 231 I HA -0.264 3.907 4.170 0.001 0.000 0.245 231 I C 2.474 178.654 176.117 0.104 0.000 1.100 231 I CA 1.098 62.340 61.300 -0.097 0.000 1.374 231 I CB -1.090 36.789 38.000 -0.202 0.000 1.057 231 I HN 0.302 nan 8.210 nan 0.000 0.413 232 L N -0.558 120.753 121.223 0.147 0.000 2.079 232 L HA -0.281 4.059 4.340 0.001 0.000 0.210 232 L C 2.739 179.732 176.870 0.205 0.000 1.081 232 L CA 1.541 56.482 54.840 0.168 0.000 0.752 232 L CB -0.913 41.250 42.059 0.173 0.000 0.896 232 L HN 0.180 nan 8.230 nan 0.000 0.433 233 Y N 0.292 120.674 120.300 0.138 0.000 2.181 233 Y HA -0.232 4.319 4.550 0.001 0.000 0.288 233 Y C 2.409 178.371 175.900 0.103 0.000 1.146 233 Y CA 1.630 59.722 58.100 -0.013 0.000 1.164 233 Y CB -0.191 38.226 38.460 -0.071 0.000 0.982 233 Y HN -0.164 nan 8.280 nan 0.000 0.515 234 V N 0.301 120.383 119.914 0.279 0.000 2.427 234 V HA -0.309 3.812 4.120 0.001 0.000 0.248 234 V C 2.411 178.673 176.094 0.279 0.000 1.051 234 V CA 1.884 64.379 62.300 0.323 0.000 1.048 234 V CB -0.694 31.349 31.823 0.368 0.000 0.666 234 V HN 0.435 nan 8.190 nan 0.000 0.456 235 L N -1.274 120.076 121.223 0.211 0.000 2.046 235 L HA -0.214 4.127 4.340 0.001 0.000 0.208 235 L C 2.468 179.339 176.870 0.001 0.000 1.077 235 L CA 2.100 57.012 54.840 0.120 0.000 0.747 235 L CB -0.661 41.457 42.059 0.097 0.000 0.896 235 L HN 0.420 nan 8.230 nan 0.000 0.432 236 Y N 1.295 121.502 120.300 -0.156 0.000 2.145 236 Y HA -0.294 4.256 4.550 0.001 0.000 0.286 236 Y C 2.807 178.496 175.900 -0.350 0.000 1.145 236 Y CA 2.126 60.064 58.100 -0.270 0.000 1.148 236 Y CB -0.281 37.953 38.460 -0.377 0.000 0.981 236 Y HN 0.251 nan 8.280 nan 0.000 0.507 237 T N -2.815 111.586 114.554 -0.255 0.000 3.160 237 T HA -0.066 4.284 4.350 0.001 0.000 0.257 237 T C 0.608 174.910 174.700 -0.663 0.000 1.147 237 T CA 1.083 62.932 62.100 -0.417 0.000 1.064 237 T CB -0.380 68.204 68.868 -0.474 0.000 0.949 237 T HN 0.538 nan 8.240 nan 0.000 0.526 238 H N -0.520 118.352 119.070 -0.330 0.000 2.665 238 H HA 0.395 4.952 4.556 0.001 0.000 0.248 238 H C 1.747 176.719 175.328 -0.595 0.000 1.175 238 H CA -0.102 55.611 56.048 -0.558 0.000 0.952 238 H CB 0.532 30.127 29.762 -0.279 0.000 1.883 238 H HN 0.466 nan 8.280 nan 0.000 0.623 239 G N 0.566 109.101 108.800 -0.442 0.000 2.511 239 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 239 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 239 G C 1.190 175.931 174.900 -0.266 0.000 1.133 239 G CA 0.159 45.068 45.100 -0.318 0.000 0.792 239 G HN 0.497 nan 8.290 nan 0.000 0.539 240 H N 0.005 118.986 119.070 -0.148 0.000 2.571 240 H HA 0.171 4.728 4.556 0.001 0.000 0.283 240 H C 1.687 176.972 175.328 -0.072 0.000 1.075 240 H CA 0.870 56.850 56.048 -0.113 0.000 1.191 240 H CB -0.327 29.365 29.762 -0.116 0.000 1.309 240 H HN 0.586 nan 8.280 nan 0.000 0.628 241 R N -0.795 119.656 120.500 -0.082 0.000 3.709 241 R HA 0.180 4.520 4.340 0.001 0.000 0.111 241 R C -0.149 176.107 176.300 -0.074 0.000 0.726 241 R CA -0.373 55.712 56.100 -0.025 0.000 1.576 241 R CB 0.023 30.327 30.300 0.006 0.000 1.644 241 R HN 0.138 nan 8.270 nan 0.000 0.456 242 L N 4.429 125.578 121.223 -0.122 0.000 2.615 242 L HA 0.115 4.456 4.340 0.001 0.000 0.284 242 L C -1.928 174.884 176.870 -0.098 0.000 1.237 242 L CA -1.211 53.556 54.840 -0.121 0.000 0.905 242 L CB -0.130 41.840 42.059 -0.149 0.000 1.149 242 L HN 0.112 nan 8.230 nan 0.000 0.499 243 P HA 0.045 nan 4.420 nan 0.000 0.265 243 P C -0.602 176.655 177.300 -0.072 0.000 1.193 243 P CA -0.076 62.983 63.100 -0.068 0.000 0.765 243 P CB 0.387 32.050 31.700 -0.062 0.000 0.823 244 R N 2.143 122.605 120.500 -0.062 0.000 2.537 244 R HA 0.423 4.763 4.340 0.001 0.000 0.281 244 R C 0.052 176.316 176.300 -0.061 0.000 0.988 244 R CA 0.444 56.506 56.100 -0.064 0.000 1.077 244 R CB -0.019 30.249 30.300 -0.052 0.000 0.932 244 R HN 0.538 nan 8.270 nan 0.000 0.409 245 A N 4.404 127.179 122.820 -0.074 0.000 2.594 245 A HA 0.437 4.758 4.320 0.001 0.000 0.296 245 A C -2.664 174.851 177.584 -0.114 0.000 1.056 245 A CA -1.406 50.589 52.037 -0.070 0.000 0.693 245 A CB 1.409 20.374 19.000 -0.060 0.000 1.278 245 A HN 0.523 nan 8.150 nan 0.000 0.408 246 P HA 0.532 nan 4.420 nan 0.000 0.274 246 P C -0.866 176.191 177.300 -0.406 0.000 1.231 246 P CA 0.064 62.964 63.100 -0.334 0.000 0.790 246 P CB 0.746 32.188 31.700 -0.429 0.000 0.951 247 I N 2.632 122.920 120.570 -0.471 0.000 2.420 247 I HA 0.238 4.409 4.170 0.001 0.000 0.282 247 I C -0.435 175.460 176.117 -0.370 0.000 1.019 247 I CA -0.831 60.287 61.300 -0.303 0.000 1.130 247 I CB 0.794 38.703 38.000 -0.151 0.000 1.262 247 I HN 0.255 nan 8.210 nan 0.000 0.454 248 Y N 6.270 126.546 120.300 -0.039 0.000 2.367 248 Y HA 0.319 4.870 4.550 0.001 0.000 0.342 248 Y C 0.078 175.948 175.900 -0.050 0.000 0.979 248 Y CA -0.739 57.337 58.100 -0.040 0.000 1.161 248 Y CB 1.201 39.636 38.460 -0.042 0.000 1.155 248 Y HN 0.414 nan 8.280 nan 0.000 0.503 249 L N 4.811 126.090 121.223 0.093 0.000 2.397 249 L HA 0.272 4.612 4.340 0.001 0.000 0.263 249 L C -0.056 176.848 176.870 0.057 0.000 1.136 249 L CA -0.253 54.611 54.840 0.041 0.000 1.019 249 L CB -0.296 41.770 42.059 0.010 0.000 1.352 249 L HN 0.521 nan 8.230 nan 0.000 0.420 250 D N 1.981 122.417 120.400 0.059 0.000 2.767 250 D HA 0.123 4.764 4.640 0.001 0.000 0.231 250 D C -0.612 175.717 176.300 0.050 0.000 1.105 250 D CA 0.497 54.536 54.000 0.066 0.000 1.024 250 D CB -0.055 40.797 40.800 0.088 0.000 1.123 250 D HN 0.359 nan 8.370 nan 0.000 0.470 251 S N 1.659 117.374 115.700 0.025 0.000 2.614 251 S HA 0.325 4.796 4.470 0.001 0.000 0.259 251 S C -2.192 172.405 174.600 -0.005 0.000 1.118 251 S CA -1.045 57.165 58.200 0.017 0.000 1.065 251 S CB 1.352 64.563 63.200 0.019 0.000 1.121 251 S HN -0.065 nan 8.310 nan 0.000 0.458 252 P HA -0.157 nan 4.420 nan 0.000 0.214 252 P C 1.731 179.020 177.300 -0.019 0.000 1.163 252 P CA 1.229 64.307 63.100 -0.036 0.000 0.889 252 P CB -0.001 31.673 31.700 -0.043 0.000 0.790 253 M N -0.040 119.560 119.600 0.000 0.000 2.073 253 M HA -0.202 4.278 4.480 0.001 0.000 0.258 253 M C 1.991 178.285 176.300 -0.010 0.000 1.070 253 M CA 2.594 57.898 55.300 0.008 0.000 1.103 253 M CB -1.130 31.490 32.600 0.034 0.000 1.321 253 M HN -0.118 nan 8.290 nan 0.000 0.405 254 A N -0.194 122.619 122.820 -0.011 0.000 1.978 254 A HA -0.006 4.315 4.320 0.001 0.000 0.220 254 A C 2.348 179.884 177.584 -0.079 0.000 1.170 254 A CA 1.842 53.853 52.037 -0.044 0.000 0.636 254 A CB -1.864 17.120 19.000 -0.028 0.000 0.810 254 A HN 0.717 nan 8.150 nan 0.000 0.448 255 G N -0.580 108.189 108.800 -0.052 0.000 2.421 255 G HA2 -0.220 3.741 3.960 0.001 0.000 0.216 255 G HA3 -0.220 3.741 3.960 0.001 0.000 0.216 255 G C 1.741 176.607 174.900 -0.058 0.000 1.171 255 G CA 0.807 45.875 45.100 -0.053 0.000 0.775 255 G HN 0.561 nan 8.290 nan 0.000 0.543 256 R N -0.258 120.216 120.500 -0.043 0.000 2.127 256 R HA -0.031 4.309 4.340 0.001 0.000 0.238 256 R C 2.605 178.874 176.300 -0.050 0.000 1.134 256 R CA 1.067 57.148 56.100 -0.032 0.000 0.975 256 R CB -0.435 29.855 30.300 -0.015 0.000 0.865 256 R HN 0.320 nan 8.270 nan 0.000 0.447 257 V N 1.203 121.064 119.914 -0.089 0.000 2.379 257 V HA -0.201 3.920 4.120 0.001 0.000 0.245 257 V C 2.155 178.075 176.094 -0.289 0.000 1.044 257 V CA 1.339 63.554 62.300 -0.142 0.000 1.036 257 V CB -0.391 31.333 31.823 -0.166 0.000 0.664 257 V HN 0.238 nan 8.190 nan 0.000 0.453 258 L N 0.285 121.306 121.223 -0.337 0.000 2.079 258 L HA -0.141 4.200 4.340 0.001 0.000 0.210 258 L C 2.425 179.224 176.870 -0.118 0.000 1.081 258 L CA 2.187 56.799 54.840 -0.381 0.000 0.752 258 L CB -0.665 41.260 42.059 -0.224 0.000 0.896 258 L HN 0.274 nan 8.230 nan 0.000 0.433 259 S N -0.530 115.142 115.700 -0.046 0.000 2.402 259 S HA -0.119 4.352 4.470 0.001 0.000 0.229 259 S C 1.758 176.401 174.600 0.072 0.000 1.021 259 S CA 1.335 59.552 58.200 0.028 0.000 0.974 259 S CB -0.459 62.751 63.200 0.016 0.000 0.800 259 S HN 0.451 nan 8.310 nan 0.000 0.484 260 L N 0.695 121.961 121.223 0.072 0.000 2.156 260 L HA 0.113 4.453 4.340 0.001 0.000 0.208 260 L C 1.688 178.698 176.870 0.233 0.000 1.095 260 L CA 1.380 56.290 54.840 0.117 0.000 0.770 260 L CB -0.803 41.312 42.059 0.093 0.000 0.914 260 L HN 0.339 nan 8.230 nan 0.000 0.439 261 Y N 0.378 120.697 120.300 0.032 0.000 2.132 261 Y HA -0.289 4.262 4.550 0.001 0.000 0.280 261 Y C -0.199 175.808 175.900 0.178 0.000 1.193 261 Y CA 1.361 59.534 58.100 0.120 0.000 1.157 261 Y CB -1.479 36.955 38.460 -0.043 0.000 0.966 261 Y HN 0.301 nan 8.280 nan 0.000 0.511 262 P HA -0.151 nan 4.420 nan 0.000 0.221 262 P C 0.652 177.881 177.300 -0.120 0.000 1.145 262 P CA 1.628 64.739 63.100 0.018 0.000 0.795 262 P CB -0.038 31.774 31.700 0.188 0.000 0.775 263 R N -1.357 119.141 120.500 -0.003 0.000 2.310 263 R HA 0.144 4.485 4.340 0.001 0.000 0.202 263 R C 0.286 176.578 176.300 -0.013 0.000 0.933 263 R CA 0.294 56.384 56.100 -0.016 0.000 1.054 263 R CB -0.060 30.248 30.300 0.013 0.000 0.985 263 R HN 0.137 nan 8.270 nan 0.000 0.489 264 L N -0.419 120.793 121.223 -0.019 0.000 3.168 264 L HA 0.131 4.472 4.340 0.001 0.000 0.277 264 L C 1.288 178.124 176.870 -0.056 0.000 1.245 264 L CA 0.208 55.041 54.840 -0.011 0.000 1.035 264 L CB 0.812 42.735 42.059 -0.227 0.000 1.399 264 L HN -0.139 nan 8.230 nan 0.000 0.580 265 V N 0.887 120.752 119.914 -0.082 0.000 2.317 265 V HA -0.335 3.786 4.120 0.001 0.000 0.251 265 V C 2.517 178.622 176.094 0.017 0.000 1.065 265 V CA 2.416 64.693 62.300 -0.039 0.000 1.049 265 V CB -0.763 30.881 31.823 -0.299 0.000 0.651 265 V HN 0.686 nan 8.190 nan 0.000 0.450 266 R N -1.109 119.308 120.500 -0.139 0.000 2.357 266 R HA -0.113 4.227 4.340 0.001 0.000 0.202 266 R C 1.386 177.435 176.300 -0.418 0.000 1.047 266 R CA 1.348 57.290 56.100 -0.263 0.000 1.034 266 R CB -0.459 29.624 30.300 -0.361 0.000 0.875 266 R HN 0.534 nan 8.270 nan 0.000 0.473 267 Y N -0.502 119.631 120.300 -0.277 0.000 2.467 267 Y HA 0.326 4.877 4.550 0.001 0.000 0.250 267 Y C 0.016 175.628 175.900 -0.479 0.000 1.155 267 Y CA -0.731 57.134 58.100 -0.391 0.000 1.249 267 Y CB 0.451 38.580 38.460 -0.551 0.000 1.146 267 Y HN -0.112 nan 8.280 nan 0.000 0.524 268 F N -0.460 119.512 119.950 0.037 0.000 2.457 268 F HA 0.402 4.929 4.527 0.001 0.000 0.330 268 F C 1.088 176.887 175.800 -0.000 0.000 1.069 268 F CA -1.751 56.261 58.000 0.020 0.000 1.009 268 F CB 0.501 39.560 39.000 0.099 0.000 1.276 268 F HN -0.237 nan 8.300 nan 0.000 0.492 269 S N 0.153 115.982 115.700 0.216 0.000 2.592 269 S HA 0.025 4.496 4.470 0.001 0.000 0.256 269 S C 0.940 175.601 174.600 0.100 0.000 1.369 269 S CA -0.470 57.785 58.200 0.093 0.000 0.984 269 S CB 0.488 63.713 63.200 0.043 0.000 0.919 269 S HN 0.601 nan 8.310 nan 0.000 0.576 270 E N 0.770 121.003 120.200 0.056 0.000 2.047 270 E HA -0.157 4.194 4.350 0.001 0.000 0.191 270 E C 2.028 178.664 176.600 0.059 0.000 0.987 270 E CA 1.412 57.843 56.400 0.050 0.000 0.799 270 E CB -0.718 28.996 29.700 0.023 0.000 0.752 270 E HN 0.918 nan 8.360 nan 0.000 0.449 271 E N 0.825 121.058 120.200 0.056 0.000 2.114 271 E HA -0.186 4.165 4.350 0.001 0.000 0.199 271 E C 2.068 178.746 176.600 0.129 0.000 1.008 271 E CA 1.529 57.968 56.400 0.065 0.000 0.810 271 E CB 0.138 29.907 29.700 0.116 0.000 0.739 271 E HN 0.014 nan 8.360 nan 0.000 0.456 272 V N 0.867 120.867 119.914 0.144 0.000 2.453 272 V HA -0.230 3.891 4.120 0.001 0.000 0.247 272 V C 2.370 178.614 176.094 0.250 0.000 1.048 272 V CA 1.922 64.315 62.300 0.155 0.000 1.049 272 V CB -0.451 31.342 31.823 -0.049 0.000 0.672 272 V HN 0.319 nan 8.190 nan 0.000 0.457 273 Q N -0.196 119.755 119.800 0.252 0.000 2.119 273 Q HA -0.145 4.196 4.340 0.001 0.000 0.201 273 Q C 2.447 178.564 176.000 0.196 0.000 0.972 273 Q CA 1.579 57.553 55.803 0.286 0.000 0.847 273 Q CB -0.392 28.454 28.738 0.180 0.000 0.903 273 Q HN 0.669 nan 8.270 nan 0.000 0.433 274 A N 0.708 123.573 122.820 0.075 0.000 1.917 274 A HA -0.266 4.054 4.320 0.001 0.000 0.219 274 A C 1.528 179.095 177.584 -0.027 0.000 1.182 274 A CA 1.898 53.926 52.037 -0.015 0.000 0.633 274 A CB -0.838 18.092 19.000 -0.116 0.000 0.819 274 A HN 0.416 nan 8.150 nan 0.000 0.448 275 H N -2.076 116.998 119.070 0.006 0.000 2.267 275 H HA -0.112 4.445 4.556 0.001 0.000 0.297 275 H C 1.811 177.097 175.328 -0.071 0.000 1.080 275 H CA 2.186 58.179 56.048 -0.091 0.000 1.278 275 H CB -0.336 29.267 29.762 -0.265 0.000 1.365 275 H HN 0.497 nan 8.280 nan 0.000 0.489 276 F N -0.102 119.919 119.950 0.118 0.000 2.154 276 F HA -0.200 4.327 4.527 0.001 0.000 0.301 276 F C 2.278 178.117 175.800 0.065 0.000 1.087 276 F CA 0.780 58.829 58.000 0.081 0.000 1.274 276 F CB -0.483 38.575 39.000 0.097 0.000 1.009 276 F HN 0.117 nan 8.300 nan 0.000 0.485 277 L N 0.038 121.403 121.223 0.237 0.000 2.083 277 L HA -0.202 4.138 4.340 0.001 0.000 0.209 277 L C 2.083 179.011 176.870 0.096 0.000 1.083 277 L CA 1.790 56.712 54.840 0.137 0.000 0.752 277 L CB -0.805 41.308 42.059 0.089 0.000 0.899 277 L HN 0.181 nan 8.230 nan 0.000 0.433 278 Q N -0.816 119.031 119.800 0.079 0.000 2.515 278 Q HA 0.107 4.448 4.340 0.001 0.000 0.212 278 Q C 1.295 177.339 176.000 0.074 0.000 0.970 278 Q CA 0.608 56.447 55.803 0.060 0.000 0.941 278 Q CB -0.067 28.701 28.738 0.049 0.000 0.998 278 Q HN 0.663 nan 8.270 nan 0.000 0.518 279 G N 0.906 109.767 108.800 0.102 0.000 2.175 279 G HA2 -0.258 3.703 3.960 0.001 0.000 0.244 279 G HA3 -0.258 3.703 3.960 0.001 0.000 0.244 279 G C -0.015 174.943 174.900 0.096 0.000 0.982 279 G CA -0.080 45.084 45.100 0.106 0.000 0.641 279 G HN 0.222 nan 8.290 nan 0.000 0.527 280 K N -0.076 120.360 120.400 0.061 0.000 2.139 280 K HA 0.480 4.801 4.320 0.001 0.000 0.243 280 K C -0.548 175.924 176.600 -0.213 0.000 0.983 280 K CA -0.921 55.358 56.287 -0.014 0.000 0.890 280 K CB 0.865 33.382 32.500 0.029 0.000 1.090 280 K HN 0.051 nan 8.250 nan 0.000 0.445 281 N N 2.698 121.220 118.700 -0.296 0.000 2.558 281 N HA 0.150 4.890 4.740 0.001 0.000 0.242 281 N C -2.034 172.941 175.510 -0.891 0.000 0.979 281 N CA -2.075 50.665 53.050 -0.517 0.000 0.931 281 N CB 1.158 39.592 38.487 -0.089 0.000 1.122 281 N HN 0.281 nan 8.380 nan 0.000 0.508 282 P HA -0.007 nan 4.420 nan 0.000 0.239 282 P C 0.309 176.820 177.300 -1.315 0.000 1.184 282 P CA 0.553 62.489 63.100 -1.941 0.000 0.760 282 P CB -0.073 30.725 31.700 -1.503 0.000 0.884 283 F N 0.067 119.716 119.950 -0.501 0.000 2.693 283 F HA 0.263 4.791 4.527 0.001 0.000 0.303 283 F C 1.343 177.087 175.800 -0.093 0.000 1.097 283 F CA -0.013 57.897 58.000 -0.150 0.000 1.330 283 F CB 0.169 39.166 39.000 -0.005 0.000 1.067 283 F HN -0.275 nan 8.300 nan 0.000 0.565 284 R N 1.557 122.055 120.500 -0.004 0.000 2.564 284 R HA 0.240 4.581 4.340 0.001 0.000 0.282 284 R C -2.587 173.825 176.300 0.187 0.000 1.573 284 R CA -1.580 54.573 56.100 0.087 0.000 1.588 284 R CB 0.550 30.888 30.300 0.064 0.000 1.154 284 R HN -0.067 nan 8.270 nan 0.000 0.606 285 P HA -0.022 nan 4.420 nan 0.000 0.270 285 P C -0.209 177.100 177.300 0.015 0.000 1.227 285 P CA -0.136 63.033 63.100 0.114 0.000 0.788 285 P CB 0.707 32.431 31.700 0.040 0.000 0.926 286 A N 0.660 123.446 122.820 -0.058 0.000 2.511 286 A HA 0.430 4.751 4.320 0.001 0.000 0.242 286 A C 1.438 178.975 177.584 -0.079 0.000 1.069 286 A CA 0.581 52.578 52.037 -0.066 0.000 0.763 286 A CB -1.352 17.592 19.000 -0.092 0.000 1.001 286 A HN 0.924 nan 8.150 nan 0.000 0.498 287 G N 0.415 109.168 108.800 -0.079 0.000 2.148 287 G HA2 -0.120 3.840 3.960 0.001 0.000 0.254 287 G HA3 -0.120 3.840 3.960 0.001 0.000 0.254 287 G C 0.119 174.923 174.900 -0.160 0.000 0.981 287 G CA 0.325 45.355 45.100 -0.117 0.000 0.670 287 G HN 1.619 nan 8.290 nan 0.000 0.528 288 L N 0.276 121.436 121.223 -0.106 0.000 2.483 288 L HA 0.747 5.088 4.340 0.001 0.000 0.276 288 L C 0.095 176.897 176.870 -0.113 0.000 1.213 288 L CA 0.032 54.809 54.840 -0.104 0.000 0.843 288 L CB 1.124 43.163 42.059 -0.034 0.000 1.107 288 L HN 0.264 nan 8.230 nan 0.000 0.487 289 E N 2.294 122.424 120.200 -0.117 0.000 2.321 289 E HA 0.427 4.778 4.350 0.001 0.000 0.281 289 E C -1.757 174.859 176.600 0.026 0.000 0.910 289 E CA -0.423 55.947 56.400 -0.049 0.000 0.770 289 E CB 1.775 31.419 29.700 -0.094 0.000 1.225 289 E HN 0.344 nan 8.360 nan 0.000 0.417 290 V N 4.550 124.485 119.914 0.035 0.000 2.318 290 V HA 0.313 4.433 4.120 0.001 0.000 0.271 290 V C -0.232 175.885 176.094 0.039 0.000 1.030 290 V CA -0.762 61.556 62.300 0.030 0.000 0.844 290 V CB 1.226 33.048 31.823 -0.001 0.000 1.015 290 V HN 0.543 nan 8.190 nan 0.000 0.460 291 V N 5.438 125.389 119.914 0.062 0.000 2.488 291 V HA 0.257 4.378 4.120 0.001 0.000 0.277 291 V C 1.073 177.136 176.094 -0.051 0.000 1.046 291 V CA -0.193 62.127 62.300 0.032 0.000 0.986 291 V CB 1.208 33.064 31.823 0.054 0.000 0.989 291 V HN 0.857 nan 8.190 nan 0.000 0.475 292 E N 2.183 122.299 120.200 -0.141 0.000 2.201 292 E HA 0.119 4.469 4.350 0.001 0.000 0.193 292 E C 0.314 176.604 176.600 -0.517 0.000 0.957 292 E CA 0.710 56.887 56.400 -0.371 0.000 0.858 292 E CB 0.360 29.721 29.700 -0.564 0.000 0.816 292 E HN 0.738 nan 8.360 nan 0.000 0.475 293 H N -0.662 118.410 119.070 0.003 0.000 2.771 293 H HA 0.265 4.822 4.556 0.001 0.000 0.367 293 H C 1.093 176.402 175.328 -0.030 0.000 1.172 293 H CA -0.352 55.689 56.048 -0.012 0.000 1.186 293 H CB 1.432 31.186 29.762 -0.012 0.000 1.790 293 H HN -0.181 nan 8.280 nan 0.000 0.556 294 T N 1.246 115.857 114.554 0.095 0.000 2.653 294 T HA -0.195 4.155 4.350 0.001 0.000 0.268 294 T C 1.449 176.123 174.700 -0.044 0.000 1.035 294 T CA 2.097 64.187 62.100 -0.017 0.000 1.154 294 T CB 0.004 68.844 68.868 -0.046 0.000 0.862 294 T HN 0.524 nan 8.240 nan 0.000 0.441 295 E N 1.564 121.757 120.200 -0.012 0.000 2.070 295 E HA -0.073 4.278 4.350 0.001 0.000 0.197 295 E C 2.410 178.989 176.600 -0.035 0.000 1.004 295 E CA 1.382 57.764 56.400 -0.030 0.000 0.805 295 E CB -0.662 29.029 29.700 -0.014 0.000 0.744 295 E HN 0.549 nan 8.360 nan 0.000 0.451 296 A N 0.276 123.092 122.820 -0.006 0.000 1.969 296 A HA -0.150 4.171 4.320 0.001 0.000 0.218 296 A C 2.290 179.836 177.584 -0.063 0.000 1.169 296 A CA 1.640 53.661 52.037 -0.027 0.000 0.635 296 A CB -0.679 18.324 19.000 0.005 0.000 0.810 296 A HN 0.237 nan 8.150 nan 0.000 0.445 297 S N -0.289 115.382 115.700 -0.049 0.000 2.348 297 S HA -0.183 4.288 4.470 0.001 0.000 0.221 297 S C 2.045 176.575 174.600 -0.116 0.000 1.033 297 S CA 1.809 59.979 58.200 -0.051 0.000 1.010 297 S CB -0.292 62.884 63.200 -0.040 0.000 0.891 297 S HN 0.601 nan 8.310 nan 0.000 0.442 298 K N 0.844 121.151 120.400 -0.156 0.000 2.097 298 K HA 0.031 4.351 4.320 0.001 0.000 0.206 298 K C 2.349 178.868 176.600 -0.136 0.000 1.049 298 K CA 1.025 57.209 56.287 -0.172 0.000 0.933 298 K CB -0.388 32.014 32.500 -0.165 0.000 0.717 298 K HN 0.442 nan 8.250 nan 0.000 0.442 299 A N 1.507 124.260 122.820 -0.113 0.000 1.978 299 A HA -0.160 4.161 4.320 0.001 0.000 0.220 299 A C 2.043 179.556 177.584 -0.118 0.000 1.170 299 A CA 1.271 53.246 52.037 -0.104 0.000 0.636 299 A CB -0.635 18.315 19.000 -0.083 0.000 0.810 299 A HN 0.188 nan 8.150 nan 0.000 0.448 300 L N -0.309 120.833 121.223 -0.134 0.000 2.131 300 L HA -0.201 4.140 4.340 0.001 0.000 0.210 300 L C 2.119 178.955 176.870 -0.057 0.000 1.092 300 L CA 1.018 55.769 54.840 -0.149 0.000 0.759 300 L CB -0.667 41.295 42.059 -0.162 0.000 0.903 300 L HN 0.389 nan 8.230 nan 0.000 0.435 301 N N 1.049 119.716 118.700 -0.055 0.000 2.149 301 N HA -0.187 4.553 4.740 0.001 0.000 0.188 301 N C 1.676 177.125 175.510 -0.103 0.000 1.019 301 N CA 1.366 54.386 53.050 -0.050 0.000 0.857 301 N CB -0.255 38.154 38.487 -0.129 0.000 0.997 301 N HN 0.531 nan 8.380 nan 0.000 0.426 302 R N -0.109 120.311 120.500 -0.134 0.000 2.334 302 R HA 0.470 4.811 4.340 0.001 0.000 0.216 302 R C 0.438 176.700 176.300 -0.064 0.000 0.905 302 R CA -0.032 55.999 56.100 -0.114 0.000 1.064 302 R CB 0.297 30.519 30.300 -0.130 0.000 1.046 302 R HN -0.041 nan 8.270 nan 0.000 0.508 303 A N 3.438 126.225 122.820 -0.054 0.000 2.327 303 A HA 0.443 4.764 4.320 0.001 0.000 0.283 303 A C -2.147 175.431 177.584 -0.010 0.000 1.127 303 A CA -1.795 50.223 52.037 -0.033 0.000 0.810 303 A CB 0.287 19.262 19.000 -0.043 0.000 1.066 303 A HN 0.099 nan 8.150 nan 0.000 0.492 304 P HA 0.298 nan 4.420 nan 0.000 0.276 304 P C 0.452 177.767 177.300 0.025 0.000 1.252 304 P CA 0.032 63.139 63.100 0.011 0.000 0.802 304 P CB 0.882 32.587 31.700 0.008 0.000 1.035 305 G N 1.076 109.890 108.800 0.025 0.000 2.588 305 G HA2 0.394 4.354 3.960 0.001 0.000 0.278 305 G HA3 0.394 4.354 3.960 0.001 0.000 0.278 305 G C -2.241 172.674 174.900 0.024 0.000 1.307 305 G CA -1.044 44.075 45.100 0.031 0.000 1.016 305 G HN 0.448 nan 8.290 nan 0.000 0.503 306 P HA 0.394 nan 4.420 nan 0.000 0.277 306 P C -0.508 176.814 177.300 0.038 0.000 1.240 306 P CA -0.030 63.078 63.100 0.013 0.000 0.798 306 P CB 1.393 33.087 31.700 -0.009 0.000 0.979 307 M N -0.360 119.262 119.600 0.038 0.000 2.755 307 M HA 0.477 4.958 4.480 0.001 0.000 0.276 307 M C -2.151 174.174 176.300 0.041 0.000 1.129 307 M CA -0.976 54.371 55.300 0.079 0.000 0.832 307 M CB 1.526 34.259 32.600 0.223 0.000 1.700 307 M HN -0.082 nan 8.290 nan 0.000 0.518 308 V N 2.108 122.041 119.914 0.032 0.000 2.495 308 V HA 0.777 4.898 4.120 0.001 0.000 0.298 308 V C -0.728 175.390 176.094 0.039 0.000 1.031 308 V CA -0.643 61.657 62.300 -0.001 0.000 0.871 308 V CB 1.827 33.628 31.823 -0.036 0.000 0.988 308 V HN 0.706 nan 8.190 nan 0.000 0.432 309 V N 6.074 125.979 119.914 -0.016 0.000 2.540 309 V HA 0.561 4.682 4.120 0.001 0.000 0.302 309 V C -0.799 175.228 176.094 -0.112 0.000 1.035 309 V CA -0.603 61.652 62.300 -0.076 0.000 0.873 309 V CB 1.798 33.450 31.823 -0.284 0.000 0.992 309 V HN 0.594 nan 8.190 nan 0.000 0.428 310 L N 4.249 125.423 121.223 -0.082 0.000 2.333 310 L HA 0.955 5.296 4.340 0.001 0.000 0.280 310 L C 0.072 176.900 176.870 -0.070 0.000 1.004 310 L CA -0.003 54.794 54.840 -0.072 0.000 0.820 310 L CB 1.655 43.691 42.059 -0.037 0.000 1.247 310 L HN 0.909 nan 8.230 nan 0.000 0.416 311 A N 1.748 124.527 122.820 -0.067 0.000 2.605 311 A HA 0.858 5.178 4.320 0.001 0.000 0.294 311 A C -0.508 177.072 177.584 -0.007 0.000 1.062 311 A CA -0.036 51.996 52.037 -0.009 0.000 0.682 311 A CB 1.058 20.084 19.000 0.044 0.000 1.278 311 A HN 0.737 nan 8.150 nan 0.000 0.410 312 G N -0.008 108.806 108.800 0.024 0.000 2.642 312 G HA2 0.630 4.591 3.960 0.001 0.000 0.291 312 G HA3 0.630 4.591 3.960 0.001 0.000 0.291 312 G C 0.382 175.315 174.900 0.054 0.000 1.345 312 G CA 0.262 45.369 45.100 0.012 0.000 1.043 312 G HN 1.770 nan 8.290 nan 0.000 0.528 313 S N -1.404 114.331 115.700 0.058 0.000 2.600 313 S HA 0.370 4.841 4.470 0.001 0.000 0.265 313 S C 1.629 176.192 174.600 -0.062 0.000 1.325 313 S CA 0.223 58.453 58.200 0.050 0.000 1.002 313 S CB 1.188 64.454 63.200 0.109 0.000 0.921 313 S HN 1.092 nan 8.310 nan 0.000 0.554 314 G N -0.218 108.436 108.800 -0.243 0.000 2.471 314 G HA2 -0.027 3.933 3.960 0.001 0.000 0.219 314 G HA3 -0.027 3.933 3.960 0.001 0.000 0.219 314 G C 0.826 175.507 174.900 -0.365 0.000 1.125 314 G CA 0.271 44.885 45.100 -0.810 0.000 0.775 314 G HN 0.672 nan 8.290 nan 0.000 0.548 315 M N 0.287 119.885 119.600 -0.003 0.000 2.685 315 M HA 0.384 4.864 4.480 0.001 0.000 0.355 315 M C 0.437 176.801 176.300 0.108 0.000 1.197 315 M CA -0.161 55.213 55.300 0.124 0.000 0.947 315 M CB 0.509 33.257 32.600 0.247 0.000 1.346 315 M HN 0.048 nan 8.290 nan 0.000 0.516 316 L N -1.273 120.003 121.223 0.088 0.000 4.555 316 L HA -0.357 3.984 4.340 0.001 0.000 0.431 316 L C 1.723 178.637 176.870 0.072 0.000 1.136 316 L CA 0.439 55.331 54.840 0.086 0.000 0.972 316 L CB -2.102 40.026 42.059 0.114 0.000 1.999 316 L HN 0.532 nan 8.230 nan 0.000 0.900 317 A N -0.396 122.475 122.820 0.085 0.000 1.978 317 A HA 0.341 4.661 4.320 0.001 0.000 0.220 317 A C 1.348 178.971 177.584 0.065 0.000 1.170 317 A CA 2.106 54.190 52.037 0.078 0.000 0.636 317 A CB -0.155 18.905 19.000 0.100 0.000 0.810 317 A HN 0.890 nan 8.150 nan 0.000 0.448 318 G N -4.447 104.395 108.800 0.069 0.000 2.427 318 G HA2 0.588 4.549 3.960 0.001 0.000 0.306 318 G HA3 0.588 4.549 3.960 0.001 0.000 0.306 318 G C 0.138 175.085 174.900 0.079 0.000 1.280 318 G CA 0.244 45.382 45.100 0.064 0.000 0.837 318 G HN 1.937 nan 8.290 nan 0.000 0.482 319 G N -1.152 107.704 108.800 0.094 0.000 2.757 319 G HA2 0.020 3.981 3.960 0.001 0.000 0.638 319 G HA3 0.020 3.981 3.960 0.001 0.000 0.638 319 G C 0.662 175.662 174.900 0.166 0.000 1.344 319 G CA 0.605 45.774 45.100 0.116 0.000 0.855 319 G HN 1.039 nan 8.290 nan 0.000 0.537 320 R N -0.675 119.923 120.500 0.163 0.000 2.154 320 R HA -0.140 4.201 4.340 0.001 0.000 0.248 320 R C 2.679 179.134 176.300 0.259 0.000 1.155 320 R CA 2.058 58.270 56.100 0.187 0.000 0.979 320 R CB -0.345 30.047 30.300 0.153 0.000 0.869 320 R HN 0.625 nan 8.270 nan 0.000 0.452 321 I N 0.541 121.259 120.570 0.247 0.000 2.264 321 I HA -0.243 3.928 4.170 0.001 0.000 0.248 321 I C 1.527 177.744 176.117 0.166 0.000 1.111 321 I CA 1.489 62.946 61.300 0.262 0.000 1.382 321 I CB -0.061 38.003 38.000 0.107 0.000 1.060 321 I HN 0.161 nan 8.210 nan 0.000 0.418 322 L N -0.457 120.812 121.223 0.076 0.000 2.042 322 L HA -0.256 4.084 4.340 0.001 0.000 0.210 322 L C 2.604 179.397 176.870 -0.128 0.000 1.076 322 L CA 1.413 56.226 54.840 -0.045 0.000 0.749 322 L CB -1.250 40.739 42.059 -0.117 0.000 0.893 322 L HN 0.375 nan 8.230 nan 0.000 0.432 323 H N -0.927 118.096 119.070 -0.077 0.000 2.421 323 H HA -0.134 4.423 4.556 0.001 0.000 0.298 323 H C 2.269 177.518 175.328 -0.131 0.000 1.087 323 H CA 1.381 57.353 56.048 -0.127 0.000 1.330 323 H CB -0.045 29.607 29.762 -0.183 0.000 1.388 323 H HN 0.499 nan 8.280 nan 0.000 0.526 324 H N -0.144 119.008 119.070 0.138 0.000 2.395 324 H HA -0.071 4.485 4.556 0.001 0.000 0.299 324 H C 2.373 177.724 175.328 0.037 0.000 1.070 324 H CA 0.440 56.540 56.048 0.088 0.000 1.356 324 H CB 0.006 29.794 29.762 0.043 0.000 1.401 324 H HN 0.164 nan 8.280 nan 0.000 0.524 325 L N 1.368 122.648 121.223 0.095 0.000 2.017 325 L HA -0.135 4.206 4.340 0.001 0.000 0.208 325 L C 2.587 179.427 176.870 -0.049 0.000 1.073 325 L CA 1.485 56.336 54.840 0.018 0.000 0.745 325 L CB -0.767 41.292 42.059 0.000 0.000 0.894 325 L HN 0.111 nan 8.230 nan 0.000 0.432 326 K N -1.416 118.898 120.400 -0.144 0.000 2.113 326 K HA -0.209 4.112 4.320 0.001 0.000 0.208 326 K C 1.771 178.149 176.600 -0.370 0.000 1.047 326 K CA 1.511 57.615 56.287 -0.304 0.000 0.928 326 K CB -0.014 32.199 32.500 -0.479 0.000 0.716 326 K HN 0.468 nan 8.250 nan 0.000 0.446 327 H N -2.712 116.357 119.070 -0.002 0.000 2.622 327 H HA 0.144 4.701 4.556 0.001 0.000 0.269 327 H C 1.549 176.888 175.328 0.018 0.000 0.977 327 H CA 0.844 56.896 56.048 0.007 0.000 1.179 327 H CB 1.124 30.889 29.762 0.005 0.000 1.458 327 H HN 0.362 nan 8.280 nan 0.000 0.531 328 G N 0.078 108.945 108.800 0.111 0.000 2.850 328 G HA2 -0.015 3.946 3.960 0.001 0.000 0.211 328 G HA3 -0.015 3.946 3.960 0.001 0.000 0.211 328 G C 1.394 176.319 174.900 0.043 0.000 1.124 328 G CA -0.117 45.032 45.100 0.082 0.000 0.769 328 G HN 0.082 nan 8.290 nan 0.000 0.535 329 L N 2.335 123.572 121.223 0.023 0.000 2.275 329 L HA 0.034 4.374 4.340 0.001 0.000 0.215 329 L C 2.807 179.683 176.870 0.010 0.000 1.119 329 L CA 1.744 56.589 54.840 0.009 0.000 0.790 329 L CB -0.278 41.779 42.059 -0.003 0.000 0.919 329 L HN 0.347 nan 8.230 nan 0.000 0.443 330 S N -2.677 113.032 115.700 0.014 0.000 2.562 330 S HA 0.014 4.485 4.470 0.001 0.000 0.221 330 S C 0.720 175.331 174.600 0.019 0.000 0.975 330 S CA -0.243 57.965 58.200 0.014 0.000 0.918 330 S CB -0.198 63.012 63.200 0.016 0.000 0.772 330 S HN 0.365 nan 8.310 nan 0.000 0.531 331 D N 2.380 122.794 120.400 0.023 0.000 2.349 331 D HA 0.318 4.958 4.640 0.001 0.000 0.232 331 D C -1.754 174.557 176.300 0.019 0.000 1.071 331 D CA -2.405 51.608 54.000 0.022 0.000 0.832 331 D CB 2.155 42.971 40.800 0.027 0.000 1.086 331 D HN -0.021 nan 8.370 nan 0.000 0.504 332 P HA -0.096 nan 4.420 nan 0.000 0.225 332 P C 0.957 178.268 177.300 0.019 0.000 1.148 332 P CA 0.584 63.693 63.100 0.015 0.000 0.779 332 P CB 0.513 32.220 31.700 0.012 0.000 0.780 333 R N -1.101 119.409 120.500 0.018 0.000 2.193 333 R HA 0.060 4.401 4.340 0.001 0.000 0.213 333 R C 0.771 177.083 176.300 0.020 0.000 1.055 333 R CA 0.231 56.341 56.100 0.017 0.000 0.995 333 R CB -0.269 30.038 30.300 0.012 0.000 0.893 333 R HN 0.277 nan 8.270 nan 0.000 0.459 334 N N 0.585 119.298 118.700 0.023 0.000 2.445 334 N HA 0.289 5.029 4.740 0.001 0.000 0.264 334 N C -0.770 174.763 175.510 0.038 0.000 1.227 334 N CA 0.082 53.146 53.050 0.024 0.000 0.963 334 N CB 1.270 39.772 38.487 0.025 0.000 1.188 334 N HN 0.064 nan 8.380 nan 0.000 0.491 335 A N 0.795 123.640 122.820 0.041 0.000 2.422 335 A HA 0.508 4.829 4.320 0.001 0.000 0.302 335 A C -0.948 176.667 177.584 0.052 0.000 1.041 335 A CA -0.665 51.427 52.037 0.091 0.000 0.708 335 A CB 0.991 20.066 19.000 0.124 0.000 1.257 335 A HN 0.602 nan 8.150 nan 0.000 0.414 336 L N 3.123 124.375 121.223 0.048 0.000 2.295 336 L HA 0.698 5.039 4.340 0.001 0.000 0.285 336 L C -1.309 175.532 176.870 -0.048 0.000 1.035 336 L CA -0.647 54.142 54.840 -0.085 0.000 0.806 336 L CB 1.496 43.462 42.059 -0.155 0.000 1.214 336 L HN 0.467 nan 8.230 nan 0.000 0.426 337 V N 5.324 125.144 119.914 -0.157 0.000 2.380 337 V HA 0.311 4.432 4.120 0.001 0.000 0.286 337 V C -0.479 175.524 176.094 -0.151 0.000 1.015 337 V CA -0.490 61.793 62.300 -0.028 0.000 0.834 337 V CB 1.348 33.231 31.823 0.101 0.000 1.009 337 V HN 0.455 nan 8.190 nan 0.000 0.428 338 F N 4.127 124.155 119.950 0.130 0.000 2.427 338 F HA 0.399 4.927 4.527 0.001 0.000 0.352 338 F C 0.906 176.780 175.800 0.122 0.000 1.100 338 F CA -0.336 57.720 58.000 0.093 0.000 1.191 338 F CB 1.698 40.753 39.000 0.091 0.000 1.128 338 F HN 0.388 nan 8.300 nan 0.000 0.533 339 V N 0.651 120.714 119.914 0.248 0.000 2.988 339 V HA 0.793 4.914 4.120 0.001 0.000 0.356 339 V C 0.164 176.432 176.094 0.290 0.000 1.380 339 V CA 0.109 62.529 62.300 0.201 0.000 1.184 339 V CB -0.107 31.612 31.823 -0.174 0.000 1.204 339 V HN 0.825 nan 8.190 nan 0.000 0.530 340 G N -0.616 108.394 108.800 0.350 0.000 2.601 340 G HA2 0.438 4.398 3.960 0.001 0.000 0.291 340 G HA3 0.438 4.398 3.960 0.001 0.000 0.291 340 G C -1.786 173.357 174.900 0.405 0.000 1.456 340 G CA -0.851 44.502 45.100 0.422 0.000 0.804 340 G HN 0.383 nan 8.290 nan 0.000 0.499 341 Y N 1.330 121.833 120.300 0.338 0.000 2.526 341 Y HA 0.475 5.025 4.550 0.001 0.000 0.330 341 Y C 0.050 176.036 175.900 0.144 0.000 1.156 341 Y CA -0.137 58.106 58.100 0.237 0.000 1.419 341 Y CB 0.925 39.570 38.460 0.309 0.000 1.250 341 Y HN 0.301 nan 8.280 nan 0.000 0.540 342 Q N 8.696 128.186 119.800 -0.516 0.000 2.290 342 Q HA 0.315 4.656 4.340 0.001 0.000 0.259 342 Q C -2.360 173.219 176.000 -0.702 0.000 0.941 342 Q CA -2.260 53.261 55.803 -0.470 0.000 0.912 342 Q CB 1.192 29.598 28.738 -0.554 0.000 1.244 342 Q HN 0.602 nan 8.270 nan 0.000 0.441 343 P HA -0.102 nan 4.420 nan 0.000 0.266 343 P C -0.277 176.916 177.300 -0.178 0.000 1.193 343 P CA -0.096 62.926 63.100 -0.131 0.000 0.770 343 P CB 0.731 32.467 31.700 0.060 0.000 0.836 344 Q N 1.403 121.144 119.800 -0.098 0.000 2.313 344 Q HA 0.387 4.728 4.340 0.001 0.000 0.266 344 Q C 1.306 177.280 176.000 -0.043 0.000 0.989 344 Q CA 1.411 57.167 55.803 -0.078 0.000 0.890 344 Q CB -0.445 28.279 28.738 -0.023 0.000 1.200 344 Q HN 0.837 nan 8.270 nan 0.000 0.396 345 G N 2.252 111.021 108.800 -0.050 0.000 2.143 345 G HA2 -0.177 3.783 3.960 0.001 0.000 0.249 345 G HA3 -0.177 3.783 3.960 0.001 0.000 0.249 345 G C 0.282 175.168 174.900 -0.025 0.000 0.981 345 G CA 0.002 45.085 45.100 -0.030 0.000 0.665 345 G HN 0.950 nan 8.290 nan 0.000 0.528 346 G N -1.498 107.279 108.800 -0.039 0.000 2.705 346 G HA2 0.658 4.618 3.960 0.001 0.000 0.299 346 G HA3 0.658 4.618 3.960 0.001 0.000 0.299 346 G C 1.000 175.885 174.900 -0.025 0.000 1.315 346 G CA -0.010 45.076 45.100 -0.022 0.000 1.045 346 G HN 0.842 nan 8.290 nan 0.000 0.517 347 L N 0.631 121.853 121.223 -0.002 0.000 2.083 347 L HA 0.091 4.431 4.340 0.001 0.000 0.209 347 L C 2.596 179.477 176.870 0.018 0.000 1.083 347 L CA 2.827 57.674 54.840 0.011 0.000 0.752 347 L CB -0.952 41.124 42.059 0.028 0.000 0.899 347 L HN 0.586 nan 8.230 nan 0.000 0.433 348 G N -0.866 107.932 108.800 -0.002 0.000 2.446 348 G HA2 -0.269 3.692 3.960 0.001 0.000 0.217 348 G HA3 -0.269 3.692 3.960 0.001 0.000 0.217 348 G C 1.601 176.393 174.900 -0.181 0.000 1.168 348 G CA 0.920 45.979 45.100 -0.069 0.000 0.771 348 G HN 0.643 nan 8.290 nan 0.000 0.551 349 A N 0.577 123.287 122.820 -0.183 0.000 1.933 349 A HA -0.022 4.298 4.320 0.001 0.000 0.218 349 A C 2.152 179.685 177.584 -0.085 0.000 1.175 349 A CA 2.027 53.965 52.037 -0.164 0.000 0.628 349 A CB -0.484 18.427 19.000 -0.147 0.000 0.814 349 A HN 0.505 nan 8.150 nan 0.000 0.444 350 E N -0.108 120.062 120.200 -0.051 0.000 2.058 350 E HA -0.201 4.149 4.350 0.001 0.000 0.194 350 E C 1.844 178.440 176.600 -0.006 0.000 0.997 350 E CA 1.489 57.874 56.400 -0.024 0.000 0.801 350 E CB -0.241 29.452 29.700 -0.013 0.000 0.746 350 E HN 0.667 nan 8.360 nan 0.000 0.450 351 I N 0.731 121.311 120.570 0.018 0.000 2.286 351 I HA -0.264 3.906 4.170 0.001 0.000 0.248 351 I C 2.332 178.479 176.117 0.049 0.000 1.115 351 I CA 0.834 62.167 61.300 0.056 0.000 1.392 351 I CB -0.136 37.948 38.000 0.140 0.000 1.065 351 I HN 0.223 nan 8.210 nan 0.000 0.418 352 I N 0.683 121.261 120.570 0.014 0.000 2.315 352 I HA -0.256 3.915 4.170 0.001 0.000 0.248 352 I C 2.716 178.827 176.117 -0.010 0.000 1.117 352 I CA 1.162 62.460 61.300 -0.003 0.000 1.404 352 I CB -0.402 37.547 38.000 -0.085 0.000 1.071 352 I HN 0.166 nan 8.210 nan 0.000 0.419 353 A N 0.151 122.959 122.820 -0.019 0.000 2.070 353 A HA -0.183 4.137 4.320 0.001 0.000 0.220 353 A C 1.523 179.103 177.584 -0.006 0.000 1.159 353 A CA 0.805 52.833 52.037 -0.015 0.000 0.656 353 A CB -0.398 18.591 19.000 -0.018 0.000 0.800 353 A HN 0.516 nan 8.150 nan 0.000 0.453 354 R N -1.329 119.171 120.500 -0.000 0.000 3.261 354 R HA -0.109 4.232 4.340 0.001 0.000 0.257 354 R C -2.235 174.065 176.300 -0.001 0.000 1.014 354 R CA 0.438 56.539 56.100 0.002 0.000 0.681 354 R CB -1.731 28.568 30.300 -0.001 0.000 1.155 354 R HN 0.520 nan 8.270 nan 0.000 0.424 355 P HA 0.092 nan 4.420 nan 0.000 0.275 355 P C -1.875 175.424 177.300 -0.002 0.000 1.270 355 P CA -0.888 62.211 63.100 -0.003 0.000 0.791 355 P CB 0.280 31.978 31.700 -0.004 0.000 1.089 356 P HA 0.002 nan 4.420 nan 0.000 0.219 356 P C 0.303 177.601 177.300 -0.003 0.000 1.150 356 P CA 1.354 64.452 63.100 -0.003 0.000 0.814 356 P CB 0.166 31.864 31.700 -0.003 0.000 0.787 357 A N -1.225 121.592 122.820 -0.005 0.000 2.594 357 A HA 0.653 4.974 4.320 0.001 0.000 0.291 357 A C -1.502 176.077 177.584 -0.008 0.000 1.105 357 A CA -0.576 51.456 52.037 -0.007 0.000 0.694 357 A CB 2.040 21.035 19.000 -0.009 0.000 1.291 357 A HN -0.064 nan 8.150 nan 0.000 0.410 358 V N 0.564 120.471 119.914 -0.012 0.000 3.007 358 V HA 0.669 4.790 4.120 0.001 0.000 0.311 358 V C -0.541 175.539 176.094 -0.023 0.000 1.120 358 V CA -0.827 61.466 62.300 -0.013 0.000 0.980 358 V CB 2.026 33.846 31.823 -0.005 0.000 1.033 358 V HN 0.988 nan 8.190 nan 0.000 0.429 359 R N 4.739 125.225 120.500 -0.024 0.000 2.265 359 R HA 0.695 5.036 4.340 0.001 0.000 0.319 359 R C -1.349 174.924 176.300 -0.044 0.000 1.006 359 R CA -0.338 55.742 56.100 -0.033 0.000 0.880 359 R CB 0.812 31.096 30.300 -0.027 0.000 1.077 359 R HN 0.705 nan 8.270 nan 0.000 0.454 360 I N 5.629 126.158 120.570 -0.067 0.000 2.534 360 I HA 0.160 4.331 4.170 0.001 0.000 0.288 360 I C 0.133 176.177 176.117 -0.121 0.000 1.077 360 I CA -0.888 60.357 61.300 -0.092 0.000 1.051 360 I CB 2.044 39.978 38.000 -0.110 0.000 1.234 360 I HN 0.707 nan 8.210 nan 0.000 0.425 361 L N 6.398 127.549 121.223 -0.120 0.000 3.762 361 L HA -0.264 4.077 4.340 0.001 0.000 0.460 361 L C 1.137 177.956 176.870 -0.085 0.000 1.255 361 L CA 0.849 55.613 54.840 -0.127 0.000 0.783 361 L CB -1.607 40.315 42.059 -0.229 0.000 1.600 361 L HN 1.197 nan 8.230 nan 0.000 0.862 362 G N -0.442 108.323 108.800 -0.058 0.000 2.179 362 G HA2 -0.273 3.688 3.960 0.001 0.000 0.257 362 G HA3 -0.273 3.688 3.960 0.001 0.000 0.257 362 G C -0.025 174.851 174.900 -0.041 0.000 1.010 362 G CA 0.790 45.866 45.100 -0.039 0.000 0.736 362 G HN 0.580 nan 8.290 nan 0.000 0.513 363 E N -0.699 119.467 120.200 -0.056 0.000 2.290 363 E HA 0.555 4.906 4.350 0.001 0.000 0.274 363 E C -0.617 175.951 176.600 -0.053 0.000 0.889 363 E CA -0.819 55.549 56.400 -0.053 0.000 0.760 363 E CB 1.175 30.831 29.700 -0.072 0.000 1.206 363 E HN 0.176 nan 8.360 nan 0.000 0.419 364 E N 2.051 122.228 120.200 -0.038 0.000 2.257 364 E HA 0.343 4.693 4.350 0.001 0.000 0.278 364 E C -1.248 175.331 176.600 -0.036 0.000 1.049 364 E CA -0.302 56.079 56.400 -0.032 0.000 0.876 364 E CB 1.008 30.696 29.700 -0.021 0.000 1.035 364 E HN 0.242 nan 8.360 nan 0.000 0.419 365 V N 5.574 125.464 119.914 -0.040 0.000 2.487 365 V HA 0.628 4.749 4.120 0.001 0.000 0.298 365 V C -2.639 173.441 176.094 -0.023 0.000 1.028 365 V CA -2.712 59.565 62.300 -0.040 0.000 0.860 365 V CB 1.791 33.574 31.823 -0.066 0.000 0.991 365 V HN 0.624 nan 8.190 nan 0.000 0.427 366 P HA 0.168 nan 4.420 nan 0.000 0.268 366 P C -0.857 176.440 177.300 -0.005 0.000 1.204 366 P CA -0.098 62.998 63.100 -0.007 0.000 0.768 366 P CB 0.490 32.188 31.700 -0.002 0.000 0.842 367 L N 4.948 126.170 121.223 -0.003 0.000 2.287 367 L HA 0.275 4.616 4.340 0.001 0.000 0.280 367 L C 0.851 177.721 176.870 0.001 0.000 1.055 367 L CA 0.439 55.279 54.840 0.000 0.000 0.863 367 L CB -0.296 41.764 42.059 0.003 0.000 1.245 367 L HN 0.285 nan 8.230 nan 0.000 0.432 368 R N 2.994 123.495 120.500 0.003 0.000 2.287 368 R HA 0.427 4.767 4.340 0.001 0.000 0.197 368 R C 0.683 176.985 176.300 0.003 0.000 0.900 368 R CA 0.256 56.358 56.100 0.003 0.000 1.052 368 R CB 0.233 30.537 30.300 0.006 0.000 1.117 368 R HN 0.627 nan 8.270 nan 0.000 0.568 369 A N 2.136 124.959 122.820 0.006 0.000 2.483 369 A HA 0.175 4.496 4.320 0.001 0.000 0.238 369 A C 0.539 178.119 177.584 -0.007 0.000 1.070 369 A CA -0.111 51.931 52.037 0.008 0.000 0.770 369 A CB 0.248 19.255 19.000 0.012 0.000 1.008 369 A HN 0.356 nan 8.150 nan 0.000 0.497 370 S N 0.446 116.144 115.700 -0.003 0.000 2.585 370 S HA 0.487 4.957 4.470 0.001 0.000 0.273 370 S C -0.210 174.296 174.600 -0.157 0.000 1.339 370 S CA -0.554 57.597 58.200 -0.081 0.000 1.028 370 S CB 0.921 64.114 63.200 -0.010 0.000 0.906 370 S HN 0.881 nan 8.310 nan 0.000 0.528 371 V N 3.678 123.400 119.914 -0.319 0.000 2.588 371 V HA 0.487 4.607 4.120 0.001 0.000 0.304 371 V C -0.560 175.311 176.094 -0.372 0.000 1.042 371 V CA -0.641 61.543 62.300 -0.194 0.000 0.877 371 V CB 1.442 33.270 31.823 0.008 0.000 0.996 371 V HN 0.982 nan 8.190 nan 0.000 0.425 372 H N 1.872 121.031 119.070 0.148 0.000 2.690 372 H HA 0.576 5.132 4.556 0.001 0.000 0.368 372 H C -0.995 174.504 175.328 0.286 0.000 1.150 372 H CA -0.631 55.521 56.048 0.174 0.000 1.174 372 H CB 2.578 32.419 29.762 0.133 0.000 1.684 372 H HN 0.503 nan 8.280 nan 0.000 0.538 373 T N 3.493 118.267 114.554 0.367 0.000 2.892 373 T HA 0.290 4.641 4.350 0.001 0.000 0.311 373 T C 0.362 175.230 174.700 0.280 0.000 1.033 373 T CA -0.659 61.645 62.100 0.341 0.000 0.991 373 T CB 0.324 69.317 68.868 0.209 0.000 0.981 373 T HN 0.277 nan 8.240 nan 0.000 0.457 374 L N 3.150 124.559 121.223 0.311 0.000 2.360 374 L HA 0.379 4.720 4.340 0.001 0.000 0.265 374 L C 1.707 178.731 176.870 0.258 0.000 1.066 374 L CA -0.634 54.361 54.840 0.259 0.000 0.929 374 L CB 0.546 42.806 42.059 0.335 0.000 1.306 374 L HN 0.856 nan 8.230 nan 0.000 0.434 375 G N 1.390 110.314 108.800 0.205 0.000 2.470 375 G HA2 -0.176 3.785 3.960 0.001 0.000 0.220 375 G HA3 -0.176 3.785 3.960 0.001 0.000 0.220 375 G C 1.442 176.434 174.900 0.154 0.000 1.121 375 G CA 0.728 45.962 45.100 0.223 0.000 0.766 375 G HN 0.729 nan 8.290 nan 0.000 0.553 376 G N 0.449 109.270 108.800 0.036 0.000 2.499 376 G HA2 -0.184 3.777 3.960 0.001 0.000 0.221 376 G HA3 -0.184 3.777 3.960 0.001 0.000 0.221 376 G C 1.243 176.052 174.900 -0.151 0.000 1.109 376 G CA 0.241 45.274 45.100 -0.111 0.000 0.749 376 G HN 0.438 nan 8.290 nan 0.000 0.568 377 F N 0.739 120.728 119.950 0.065 0.000 2.804 377 F HA 0.194 4.721 4.527 0.001 0.000 0.303 377 F C 1.565 177.406 175.800 0.069 0.000 1.154 377 F CA -0.308 57.743 58.000 0.085 0.000 1.401 377 F CB 0.056 39.079 39.000 0.039 0.000 1.106 377 F HN 0.129 nan 8.300 nan 0.000 0.568 378 Q N 0.869 120.762 119.800 0.155 0.000 2.304 378 Q HA -0.012 4.329 4.340 0.001 0.000 0.301 378 Q C 1.265 177.264 176.000 -0.002 0.000 1.063 378 Q CA 0.519 56.373 55.803 0.083 0.000 0.947 378 Q CB 1.093 29.804 28.738 -0.045 0.000 1.201 378 Q HN 0.414 nan 8.270 nan 0.000 0.389 379 G N 3.794 112.615 108.800 0.035 0.000 3.088 379 G HA2 0.022 3.982 3.960 0.001 0.000 0.217 379 G HA3 0.022 3.982 3.960 0.001 0.000 0.217 379 G C 0.075 174.921 174.900 -0.091 0.000 1.159 379 G CA -0.127 44.952 45.100 -0.034 0.000 0.760 379 G HN 0.663 nan 8.290 nan 0.000 0.550 380 H N -0.035 118.983 119.070 -0.086 0.000 2.533 380 H HA 0.572 5.128 4.556 0.001 0.000 0.343 380 H C 0.086 175.287 175.328 -0.211 0.000 1.160 380 H CA -0.505 55.447 56.048 -0.159 0.000 1.218 380 H CB 1.939 31.591 29.762 -0.182 0.000 1.566 380 H HN 0.137 nan 8.280 nan 0.000 0.522 381 A N 1.694 124.505 122.820 -0.014 0.000 2.498 381 A HA 0.378 4.699 4.320 0.001 0.000 0.239 381 A C 0.988 178.584 177.584 0.020 0.000 1.068 381 A CA 0.388 52.428 52.037 0.005 0.000 0.766 381 A CB -0.082 18.879 19.000 -0.067 0.000 1.003 381 A HN 0.764 nan 8.150 nan 0.000 0.497 382 G N -0.581 108.247 108.800 0.047 0.000 2.588 382 G HA2 0.336 4.297 3.960 0.001 0.000 0.281 382 G HA3 0.336 4.297 3.960 0.001 0.000 0.281 382 G C 0.695 175.585 174.900 -0.016 0.000 1.236 382 G CA 0.330 45.413 45.100 -0.028 0.000 0.969 382 G HN 0.934 nan 8.290 nan 0.000 0.504 383 Q N -0.621 119.183 119.800 0.008 0.000 2.096 383 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 383 Q C 1.981 177.978 176.000 -0.004 0.000 0.982 383 Q CA 2.411 58.224 55.803 0.017 0.000 0.850 383 Q CB -0.184 28.570 28.738 0.027 0.000 0.901 383 Q HN 0.696 nan 8.270 nan 0.000 0.422 384 D N -0.083 120.294 120.400 -0.038 0.000 2.144 384 D HA -0.203 4.437 4.640 0.001 0.000 0.200 384 D C 1.354 177.648 176.300 -0.010 0.000 0.978 384 D CA 1.595 55.577 54.000 -0.030 0.000 0.833 384 D CB -0.494 40.273 40.800 -0.055 0.000 0.961 384 D HN 0.487 nan 8.370 nan 0.000 0.470 385 E N -0.530 119.654 120.200 -0.026 0.000 2.152 385 E HA -0.057 4.294 4.350 0.001 0.000 0.192 385 E C 1.914 178.544 176.600 0.051 0.000 0.983 385 E CA 0.132 56.541 56.400 0.015 0.000 0.818 385 E CB 0.011 29.716 29.700 0.008 0.000 0.758 385 E HN 0.101 nan 8.360 nan 0.000 0.467 386 L N 0.667 121.906 121.223 0.027 0.000 2.027 386 L HA -0.145 4.196 4.340 0.001 0.000 0.206 386 L C 2.117 179.050 176.870 0.104 0.000 1.074 386 L CA 1.500 56.367 54.840 0.045 0.000 0.745 386 L CB -0.687 41.383 42.059 0.020 0.000 0.898 386 L HN 0.190 nan 8.230 nan 0.000 0.433 387 L N -0.850 120.412 121.223 0.066 0.000 2.046 387 L HA -0.247 4.093 4.340 0.001 0.000 0.208 387 L C 2.184 179.094 176.870 0.067 0.000 1.077 387 L CA 1.244 56.120 54.840 0.059 0.000 0.747 387 L CB -0.621 41.457 42.059 0.032 0.000 0.896 387 L HN 0.272 nan 8.230 nan 0.000 0.432 388 D N -1.058 119.385 120.400 0.071 0.000 2.144 388 D HA -0.235 4.406 4.640 0.001 0.000 0.199 388 D C 1.754 178.106 176.300 0.088 0.000 0.984 388 D CA 1.073 55.110 54.000 0.062 0.000 0.834 388 D CB -0.211 40.624 40.800 0.059 0.000 0.955 388 D HN 0.417 nan 8.370 nan 0.000 0.465 389 W N 0.314 121.577 121.300 -0.061 0.000 2.519 389 W HA -0.029 4.632 4.660 0.001 0.000 0.266 389 W C 1.223 177.681 176.519 -0.102 0.000 1.253 389 W CA 0.429 57.719 57.345 -0.091 0.000 1.274 389 W CB 0.188 29.579 29.460 -0.114 0.000 1.114 389 W HN -0.123 nan 8.180 nan 0.000 0.596 390 L N 0.676 121.973 121.223 0.124 0.000 2.585 390 L HA 0.113 4.453 4.340 0.001 0.000 0.226 390 L C 1.277 178.110 176.870 -0.061 0.000 1.113 390 L CA 0.631 55.482 54.840 0.019 0.000 0.876 390 L CB -1.610 40.518 42.059 0.115 0.000 1.072 390 L HN -0.126 nan 8.230 nan 0.000 0.468 391 Q N 1.036 120.802 119.800 -0.055 0.000 2.368 391 Q HA 0.034 4.374 4.340 0.001 0.000 0.331 391 Q C 1.201 177.151 176.000 -0.084 0.000 1.086 391 Q CA 1.365 57.135 55.803 -0.056 0.000 1.031 391 Q CB 0.253 28.962 28.738 -0.048 0.000 1.125 391 Q HN 0.568 nan 8.270 nan 0.000 0.389 392 G N 3.827 112.592 108.800 -0.059 0.000 2.162 392 G HA2 -0.217 3.744 3.960 0.001 0.000 0.260 392 G HA3 -0.217 3.744 3.960 0.001 0.000 0.260 392 G C -0.250 174.611 174.900 -0.065 0.000 0.976 392 G CA 0.399 45.463 45.100 -0.060 0.000 0.655 392 G HN 0.598 nan 8.290 nan 0.000 0.533 393 E N 0.665 120.824 120.200 -0.068 0.000 2.200 393 E HA 0.258 4.608 4.350 0.001 0.000 0.283 393 E C -0.993 175.587 176.600 -0.034 0.000 1.015 393 E CA -1.452 54.910 56.400 -0.063 0.000 0.819 393 E CB 1.949 31.603 29.700 -0.077 0.000 1.081 393 E HN 0.253 nan 8.360 nan 0.000 0.397 394 P HA -0.132 nan 4.420 nan 0.000 0.216 394 P C -0.130 177.164 177.300 -0.010 0.000 1.153 394 P CA 1.167 64.256 63.100 -0.017 0.000 0.848 394 P CB 0.590 32.280 31.700 -0.017 0.000 0.787 395 R N -0.446 120.050 120.500 -0.008 0.000 2.532 395 R HA 0.586 4.926 4.340 0.001 0.000 0.297 395 R C -1.260 175.043 176.300 0.006 0.000 0.984 395 R CA -0.722 55.377 56.100 -0.001 0.000 0.884 395 R CB 2.732 33.031 30.300 -0.003 0.000 1.182 395 R HN -0.185 nan 8.270 nan 0.000 0.442 396 V N 3.697 123.618 119.914 0.012 0.000 2.444 396 V HA 0.355 4.476 4.120 0.001 0.000 0.294 396 V C -0.397 175.709 176.094 0.020 0.000 1.022 396 V CA -0.869 61.446 62.300 0.025 0.000 0.850 396 V CB 2.042 33.887 31.823 0.036 0.000 0.992 396 V HN 0.465 nan 8.190 nan 0.000 0.426 397 V N 6.340 126.265 119.914 0.018 0.000 2.347 397 V HA 0.429 4.550 4.120 0.001 0.000 0.280 397 V C -0.255 175.848 176.094 0.016 0.000 1.021 397 V CA -0.557 61.746 62.300 0.006 0.000 0.847 397 V CB 1.341 33.153 31.823 -0.018 0.000 0.990 397 V HN 0.577 nan 8.190 nan 0.000 0.444 398 L N 6.730 127.969 121.223 0.025 0.000 2.326 398 L HA 0.725 5.066 4.340 0.001 0.000 0.278 398 L C 0.262 177.164 176.870 0.054 0.000 1.092 398 L CA 0.398 55.263 54.840 0.042 0.000 0.810 398 L CB 1.436 43.520 42.059 0.041 0.000 1.153 398 L HN 0.650 nan 8.230 nan 0.000 0.439 399 V N -1.041 118.926 119.914 0.087 0.000 3.080 399 V HA 0.554 4.675 4.120 0.001 0.000 0.311 399 V C -0.076 176.146 176.094 0.213 0.000 1.389 399 V CA -0.946 61.437 62.300 0.137 0.000 1.049 399 V CB 1.310 33.226 31.823 0.155 0.000 1.078 399 V HN 0.854 nan 8.190 nan 0.000 0.468 400 H N 0.422 119.557 119.070 0.108 0.000 2.514 400 H HA 0.010 4.567 4.556 0.001 0.000 0.318 400 H C -0.216 175.118 175.328 0.010 0.000 0.994 400 H CA 1.652 57.748 56.048 0.080 0.000 1.056 400 H CB -1.023 28.817 29.762 0.131 0.000 1.621 400 H HN 2.235 nan 8.280 nan 0.000 0.360 401 G N 2.339 111.144 108.800 0.009 0.000 2.325 401 G HA2 0.246 4.206 3.960 0.001 0.000 0.297 401 G HA3 0.246 4.206 3.960 0.001 0.000 0.297 401 G C -1.288 173.590 174.900 -0.036 0.000 1.448 401 G CA -0.622 44.467 45.100 -0.019 0.000 0.838 401 G HN 0.276 nan 8.290 nan 0.000 0.579 402 E N 0.328 120.491 120.200 -0.061 0.000 2.290 402 E HA 0.128 4.479 4.350 0.001 0.000 0.277 402 E C 0.982 177.572 176.600 -0.018 0.000 1.035 402 E CA -0.150 56.226 56.400 -0.040 0.000 0.873 402 E CB 2.066 31.735 29.700 -0.052 0.000 1.029 402 E HN 0.659 nan 8.360 nan 0.000 0.419 403 E N 2.746 122.944 120.200 -0.002 0.000 2.136 403 E HA -0.345 4.006 4.350 0.001 0.000 0.208 403 E C 1.002 177.604 176.600 0.003 0.000 1.035 403 E CA 2.002 58.406 56.400 0.006 0.000 0.838 403 E CB 0.249 29.954 29.700 0.009 0.000 0.748 403 E HN 0.444 nan 8.360 nan 0.000 0.459 404 E N 0.433 120.632 120.200 -0.002 0.000 2.051 404 E HA -0.164 4.186 4.350 0.001 0.000 0.192 404 E C 1.985 178.584 176.600 -0.003 0.000 0.991 404 E CA 1.104 57.503 56.400 -0.001 0.000 0.799 404 E CB -0.079 29.620 29.700 -0.001 0.000 0.748 404 E HN 0.139 nan 8.360 nan 0.000 0.449 405 K N 0.246 120.636 120.400 -0.016 0.000 2.057 405 K HA -0.095 4.225 4.320 0.001 0.000 0.207 405 K C 2.081 178.680 176.600 -0.002 0.000 1.049 405 K CA 0.748 57.022 56.287 -0.022 0.000 0.931 405 K CB -0.507 31.955 32.500 -0.064 0.000 0.714 405 K HN 0.113 nan 8.250 nan 0.000 0.440 406 L N 0.847 122.072 121.223 0.003 0.000 2.017 406 L HA -0.153 4.188 4.340 0.001 0.000 0.208 406 L C 2.288 179.169 176.870 0.017 0.000 1.073 406 L CA 1.226 56.076 54.840 0.017 0.000 0.745 406 L CB -0.817 41.256 42.059 0.023 0.000 0.894 406 L HN 0.050 nan 8.230 nan 0.000 0.432 407 L N -0.719 120.511 121.223 0.013 0.000 2.083 407 L HA -0.129 4.212 4.340 0.001 0.000 0.209 407 L C 2.605 179.484 176.870 0.014 0.000 1.083 407 L CA 1.919 56.767 54.840 0.013 0.000 0.752 407 L CB -1.624 40.441 42.059 0.011 0.000 0.899 407 L HN 0.271 nan 8.230 nan 0.000 0.433 408 A N -1.176 121.652 122.820 0.013 0.000 1.933 408 A HA -0.176 4.145 4.320 0.001 0.000 0.218 408 A C 2.343 179.938 177.584 0.018 0.000 1.175 408 A CA 1.463 53.508 52.037 0.015 0.000 0.628 408 A CB -0.596 18.413 19.000 0.015 0.000 0.814 408 A HN 0.374 nan 8.150 nan 0.000 0.444 409 L N -0.745 120.490 121.223 0.021 0.000 2.044 409 L HA -0.065 4.276 4.340 0.001 0.000 0.205 409 L C 2.611 179.495 176.870 0.023 0.000 1.075 409 L CA 1.696 56.550 54.840 0.025 0.000 0.747 409 L CB -1.054 41.023 42.059 0.029 0.000 0.903 409 L HN 0.453 nan 8.230 nan 0.000 0.435 410 G N 0.031 108.843 108.800 0.021 0.000 2.469 410 G HA2 -0.370 3.590 3.960 0.001 0.000 0.219 410 G HA3 -0.370 3.590 3.960 0.001 0.000 0.219 410 G C 1.642 176.552 174.900 0.016 0.000 1.150 410 G CA 1.141 46.252 45.100 0.019 0.000 0.763 410 G HN 0.376 nan 8.290 nan 0.000 0.561 411 K N 0.086 120.495 120.400 0.015 0.000 2.015 411 K HA -0.092 4.229 4.320 0.001 0.000 0.216 411 K C 2.529 179.136 176.600 0.012 0.000 1.052 411 K CA 1.503 57.798 56.287 0.013 0.000 0.937 411 K CB -0.355 32.152 32.500 0.012 0.000 0.719 411 K HN 0.366 nan 8.250 nan 0.000 0.446 412 L N 0.859 122.090 121.223 0.014 0.000 2.056 412 L HA -0.178 4.163 4.340 0.001 0.000 0.207 412 L C 2.518 179.396 176.870 0.013 0.000 1.078 412 L CA 0.914 55.762 54.840 0.013 0.000 0.749 412 L CB -0.457 41.611 42.059 0.015 0.000 0.901 412 L HN 0.263 nan 8.230 nan 0.000 0.433 413 L N -0.192 121.041 121.223 0.016 0.000 2.083 413 L HA -0.210 4.130 4.340 0.001 0.000 0.209 413 L C 2.915 179.791 176.870 0.010 0.000 1.083 413 L CA 1.180 56.029 54.840 0.015 0.000 0.752 413 L CB -0.727 41.344 42.059 0.020 0.000 0.899 413 L HN 0.260 nan 8.230 nan 0.000 0.433 414 A N 0.231 123.057 122.820 0.010 0.000 1.855 414 A HA -0.163 4.158 4.320 0.001 0.000 0.215 414 A C 2.172 179.759 177.584 0.006 0.000 1.191 414 A CA 1.296 53.337 52.037 0.007 0.000 0.613 414 A CB -0.810 18.195 19.000 0.008 0.000 0.829 414 A HN 0.354 nan 8.150 nan 0.000 0.442 415 L N -1.110 120.116 121.223 0.006 0.000 2.447 415 L HA -0.143 4.198 4.340 0.001 0.000 0.225 415 L C 2.627 179.500 176.870 0.004 0.000 1.148 415 L CA 0.932 55.775 54.840 0.005 0.000 0.808 415 L CB -0.315 41.748 42.059 0.006 0.000 0.928 415 L HN 0.359 nan 8.230 nan 0.000 0.448 416 R N -0.713 119.789 120.500 0.004 0.000 2.280 416 R HA 0.071 4.411 4.340 0.001 0.000 0.195 416 R C 1.352 177.651 176.300 -0.001 0.000 0.935 416 R CA 0.671 56.772 56.100 0.002 0.000 1.033 416 R CB 0.391 30.693 30.300 0.002 0.000 0.964 416 R HN 0.423 nan 8.270 nan 0.000 0.489 417 G N 0.488 109.288 108.800 -0.000 0.000 2.184 417 G HA2 -0.235 3.725 3.960 0.001 0.000 0.206 417 G HA3 -0.235 3.725 3.960 0.001 0.000 0.206 417 G C -0.170 174.728 174.900 -0.003 0.000 0.995 417 G CA -0.445 44.654 45.100 -0.002 0.000 0.651 417 G HN 0.303 nan 8.290 nan 0.000 0.511 418 Q N 0.716 120.515 119.800 -0.001 0.000 2.267 418 Q HA 0.472 4.813 4.340 0.001 0.000 0.255 418 Q C -0.246 175.755 176.000 0.002 0.000 0.923 418 Q CA -0.262 55.541 55.803 -0.001 0.000 0.925 418 Q CB 1.203 29.942 28.738 0.002 0.000 1.195 418 Q HN 0.526 nan 8.270 nan 0.000 0.417 419 E N 1.429 121.630 120.200 0.001 0.000 2.259 419 E HA 0.295 4.646 4.350 0.001 0.000 0.281 419 E C -1.093 175.510 176.600 0.005 0.000 1.037 419 E CA -0.246 56.155 56.400 0.002 0.000 0.854 419 E CB 1.510 31.210 29.700 -0.000 0.000 1.051 419 E HN 0.184 nan 8.360 nan 0.000 0.409 420 V N 2.525 122.444 119.914 0.007 0.000 2.925 420 V HA 0.666 4.787 4.120 0.001 0.000 0.311 420 V C -1.059 175.040 176.094 0.009 0.000 1.104 420 V CA -0.269 62.037 62.300 0.010 0.000 0.954 420 V CB 2.151 33.983 31.823 0.015 0.000 1.022 420 V HN 0.831 nan 8.190 nan 0.000 0.427 421 S N 5.749 121.455 115.700 0.009 0.000 2.638 421 S HA 0.826 5.297 4.470 0.001 0.000 0.274 421 S C -1.703 172.904 174.600 0.012 0.000 1.157 421 S CA -0.849 57.356 58.200 0.008 0.000 0.826 421 S CB 1.774 64.975 63.200 0.003 0.000 1.139 421 S HN 0.685 nan 8.310 nan 0.000 0.474 422 L N 2.081 123.313 121.223 0.015 0.000 2.287 422 L HA 0.736 5.077 4.340 0.001 0.000 0.287 422 L C 0.772 177.654 176.870 0.021 0.000 1.022 422 L CA -0.338 54.516 54.840 0.022 0.000 0.814 422 L CB 0.908 42.982 42.059 0.026 0.000 1.217 422 L HN 1.055 nan 8.230 nan 0.000 0.420 423 A N 4.832 127.664 122.820 0.021 0.000 2.555 423 A HA 0.397 4.717 4.320 0.001 0.000 0.233 423 A C 0.253 177.858 177.584 0.035 0.000 1.060 423 A CA 0.188 52.233 52.037 0.012 0.000 0.759 423 A CB 0.060 19.067 19.000 0.010 0.000 0.995 423 A HN 0.717 nan 8.150 nan 0.000 0.506 424 R N 0.495 121.008 120.500 0.021 0.000 2.513 424 R HA 0.345 4.686 4.340 0.001 0.000 0.301 424 R C -0.829 175.511 176.300 0.066 0.000 0.968 424 R CA -0.587 55.550 56.100 0.062 0.000 0.872 424 R CB 1.577 31.905 30.300 0.045 0.000 1.177 424 R HN 0.701 nan 8.270 nan 0.000 0.444 425 F N 1.809 121.759 119.950 0.001 0.000 2.637 425 F HA -0.062 4.466 4.527 0.001 0.000 0.372 425 F C 1.565 177.332 175.800 -0.055 0.000 1.107 425 F CA 2.496 60.498 58.000 0.003 0.000 1.325 425 F CB 0.549 39.591 39.000 0.070 0.000 1.016 425 F HN 0.908 nan 8.300 nan 0.000 0.593 426 G N 3.440 111.874 108.800 -0.611 0.000 2.322 426 G HA2 -0.374 3.587 3.960 0.001 0.000 0.264 426 G HA3 -0.374 3.587 3.960 0.001 0.000 0.264 426 G C 0.285 175.022 174.900 -0.271 0.000 0.992 426 G CA 0.559 45.420 45.100 -0.399 0.000 0.624 426 G HN 0.685 nan 8.290 nan 0.000 0.543 427 E N 1.471 121.560 120.200 -0.185 0.000 2.052 427 E HA 0.474 4.825 4.350 0.001 0.000 0.283 427 E C 1.104 177.610 176.600 -0.155 0.000 1.071 427 E CA 0.017 56.348 56.400 -0.115 0.000 0.851 427 E CB 0.542 30.216 29.700 -0.043 0.000 1.066 427 E HN 0.450 nan 8.360 nan 0.000 0.396 428 G N 1.928 110.643 108.800 -0.141 0.000 2.554 428 G HA2 0.224 4.185 3.960 0.001 0.000 0.238 428 G HA3 0.224 4.185 3.960 0.001 0.000 0.238 428 G C -0.297 174.553 174.900 -0.084 0.000 1.259 428 G CA -0.341 44.683 45.100 -0.126 0.000 0.843 428 G HN 0.349 nan 8.290 nan 0.000 0.582 429 V N 4.201 124.066 119.914 -0.081 0.000 2.531 429 V HA 0.368 4.488 4.120 0.001 0.000 0.301 429 V C -1.977 174.091 176.094 -0.044 0.000 1.034 429 V CA -1.541 60.725 62.300 -0.057 0.000 0.865 429 V CB 2.299 34.086 31.823 -0.060 0.000 0.995 429 V HN 0.722 nan 8.190 nan 0.000 0.424 430 P HA 0.194 nan 4.420 nan 0.000 0.271 430 P C -0.174 177.115 177.300 -0.017 0.000 1.226 430 P CA 0.277 63.365 63.100 -0.021 0.000 0.765 430 P CB 1.478 33.169 31.700 -0.015 0.000 0.835 431 V N 0.000 119.906 119.914 -0.014 0.000 2.409 431 V HA 0.000 4.121 4.120 0.001 0.000 0.244 431 V CA 0.000 62.295 62.300 -0.007 0.000 1.235 431 V CB 0.000 31.822 31.823 -0.002 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556