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 3ie2_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 VHTLGGFSGH AGQDELLDWL QGEPRVVLVV 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 0.000 176.288 176.300 -0.020 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.006 0.000 1.302 2 R N 3.134 123.617 120.500 -0.028 0.000 2.807 2 R HA 0.858 5.199 4.340 0.001 0.000 0.276 2 R C -1.563 174.701 176.300 -0.060 0.000 0.979 2 R CA -1.043 55.031 56.100 -0.043 0.000 0.928 2 R CB 2.341 32.612 30.300 -0.047 0.000 1.191 2 R HN 0.545 nan 8.270 nan 0.000 0.471 3 I N 1.696 122.217 120.570 -0.082 0.000 2.404 3 I HA 0.312 4.483 4.170 0.001 0.000 0.293 3 I C -1.173 174.848 176.117 -0.161 0.000 0.992 3 I CA -1.086 60.148 61.300 -0.111 0.000 1.149 3 I CB 2.120 40.047 38.000 -0.123 0.000 1.315 3 I HN 0.515 nan 8.210 nan 0.000 0.446 4 V N 9.287 129.080 119.914 -0.201 0.000 2.350 4 V HA 0.439 4.559 4.120 0.001 0.000 0.285 4 V C -2.378 173.449 176.094 -0.444 0.000 1.014 4 V CA -1.683 60.392 62.300 -0.376 0.000 0.831 4 V CB 1.177 32.709 31.823 -0.485 0.000 1.000 4 V HN 0.644 nan 8.190 nan 0.000 0.433 5 P HA 0.253 nan 4.420 nan 0.000 0.273 5 P C -0.410 176.650 177.300 -0.399 0.000 1.319 5 P CA 0.127 63.166 63.100 -0.101 0.000 0.885 5 P CB -0.028 31.640 31.700 -0.052 0.000 1.015 6 F N 3.197 123.060 119.950 -0.146 0.000 2.925 6 F HA 0.535 5.063 4.527 0.001 0.000 0.302 6 F C 1.331 177.242 175.800 0.185 0.000 1.189 6 F CA 0.109 57.932 58.000 -0.294 0.000 1.346 6 F CB 0.253 39.212 39.000 -0.069 0.000 0.954 6 F HN 0.333 nan 8.300 nan 0.000 0.506 7 G N -1.588 107.434 108.800 0.370 0.000 2.321 7 G HA2 0.458 4.419 3.960 0.001 0.000 0.298 7 G HA3 0.458 4.419 3.960 0.001 0.000 0.298 7 G C 0.182 175.179 174.900 0.162 0.000 1.385 7 G CA -0.107 45.194 45.100 0.335 0.000 0.856 7 G HN 0.575 nan 8.290 nan 0.000 0.584 8 A N -1.996 120.867 122.820 0.073 0.000 2.822 8 A HA 0.162 4.483 4.320 0.001 0.000 0.279 8 A C 1.389 179.064 177.584 0.152 0.000 1.356 8 A CA 2.252 54.332 52.037 0.071 0.000 0.961 8 A CB -1.608 17.409 19.000 0.027 0.000 0.977 8 A HN 2.633 nan 8.150 nan 0.000 0.650 9 A N -1.087 121.862 122.820 0.214 0.000 2.350 9 A HA 0.623 4.944 4.320 0.001 0.000 0.293 9 A C 1.244 178.910 177.584 0.136 0.000 1.231 9 A CA 0.689 52.834 52.037 0.180 0.000 0.883 9 A CB -0.104 19.031 19.000 0.225 0.000 1.133 9 A HN 1.175 nan 8.150 nan 0.000 0.533 10 R N -0.484 120.070 120.500 0.089 0.000 3.922 10 R HA -0.209 4.132 4.340 0.001 0.000 0.447 10 R C 0.551 176.885 176.300 0.056 0.000 1.035 10 R CA 2.134 58.271 56.100 0.062 0.000 1.289 10 R CB -1.475 28.861 30.300 0.059 0.000 1.906 10 R HN 1.010 nan 8.270 nan 0.000 0.540 11 E N -0.744 119.500 120.200 0.074 0.000 2.469 11 E HA 0.460 4.810 4.350 0.001 0.000 0.237 11 E C 0.615 177.243 176.600 0.047 0.000 0.840 11 E CA -0.170 56.269 56.400 0.065 0.000 0.894 11 E CB 1.010 30.772 29.700 0.103 0.000 1.681 11 E HN 0.015 nan 8.360 nan 0.000 0.401 12 V N -2.710 117.225 119.914 0.035 0.000 3.604 12 V HA 0.234 4.354 4.120 0.001 0.000 0.277 12 V C 0.508 176.586 176.094 -0.027 0.000 1.399 12 V CA 0.923 63.226 62.300 0.005 0.000 1.034 12 V CB -0.010 31.805 31.823 -0.012 0.000 0.824 12 V HN 0.738 nan 8.190 nan 0.000 0.439 13 T N -3.301 111.231 114.554 -0.037 0.000 2.919 13 T HA 0.681 5.032 4.350 0.001 0.000 0.282 13 T C 1.087 175.534 174.700 -0.422 0.000 1.020 13 T CA 0.064 62.070 62.100 -0.157 0.000 0.994 13 T CB 1.005 69.830 68.868 -0.071 0.000 1.180 13 T HN 1.677 nan 8.240 nan 0.000 0.566 14 G N 0.441 108.810 108.800 -0.718 0.000 2.176 14 G HA2 -0.252 3.708 3.960 0.001 0.000 0.252 14 G HA3 -0.252 3.708 3.960 0.001 0.000 0.252 14 G C 0.209 174.711 174.900 -0.663 0.000 1.024 14 G CA 0.162 44.503 45.100 -1.265 0.000 0.755 14 G HN 1.028 nan 8.290 nan 0.000 0.507 15 S N 0.297 115.701 115.700 -0.493 0.000 2.670 15 S HA 0.495 4.965 4.470 0.001 0.000 0.308 15 S C 0.595 174.966 174.600 -0.383 0.000 1.232 15 S CA 0.988 58.934 58.200 -0.424 0.000 1.126 15 S CB 0.127 63.017 63.200 -0.516 0.000 0.897 15 S HN 1.917 nan 8.310 nan 0.000 0.508 16 A N 5.728 128.180 122.820 -0.614 0.000 2.512 16 A HA 0.594 4.915 4.320 0.001 0.000 0.294 16 A C -1.364 175.857 177.584 -0.605 0.000 1.054 16 A CA -0.789 51.026 52.037 -0.371 0.000 0.756 16 A CB 1.073 20.075 19.000 0.003 0.000 1.293 16 A HN 0.816 nan 8.150 nan 0.000 0.395 17 H N 2.104 121.149 119.070 -0.042 0.000 2.782 17 H HA 0.431 4.988 4.556 0.001 0.000 0.347 17 H C -1.472 173.775 175.328 -0.135 0.000 1.038 17 H CA -0.671 55.299 56.048 -0.130 0.000 1.255 17 H CB 1.909 31.483 29.762 -0.314 0.000 1.623 17 H HN 0.547 nan 8.280 nan 0.000 0.525 18 L N 4.292 125.512 121.223 -0.005 0.000 2.261 18 L HA 0.208 4.549 4.340 0.001 0.000 0.289 18 L C -0.717 176.100 176.870 -0.087 0.000 1.059 18 L CA -0.611 54.160 54.840 -0.115 0.000 0.816 18 L CB 0.363 42.357 42.059 -0.109 0.000 1.191 18 L HN 0.428 nan 8.230 nan 0.000 0.431 19 L N 6.472 127.650 121.223 -0.075 0.000 2.276 19 L HA 0.485 4.825 4.340 0.001 0.000 0.286 19 L C -1.155 175.687 176.870 -0.047 0.000 1.061 19 L CA 0.129 54.939 54.840 -0.050 0.000 0.807 19 L CB 0.762 42.810 42.059 -0.018 0.000 1.177 19 L HN 0.524 nan 8.230 nan 0.000 0.429 20 L N 6.638 127.838 121.223 -0.039 0.000 2.316 20 L HA 0.888 5.229 4.340 0.001 0.000 0.280 20 L C -0.246 176.613 176.870 -0.018 0.000 1.006 20 L CA -0.295 54.528 54.840 -0.028 0.000 0.836 20 L CB 1.070 43.113 42.059 -0.026 0.000 1.221 20 L HN 0.895 nan 8.230 nan 0.000 0.418 21 A N 1.571 124.384 122.820 -0.012 0.000 2.586 21 A HA 0.647 4.967 4.320 0.001 0.000 0.291 21 A C 0.451 178.033 177.584 -0.004 0.000 1.062 21 A CA -0.012 52.021 52.037 -0.006 0.000 0.666 21 A CB 1.001 20.000 19.000 -0.002 0.000 1.281 21 A HN 0.858 nan 8.150 nan 0.000 0.421 22 G N -0.538 108.260 108.800 -0.004 0.000 2.402 22 G HA2 0.191 4.151 3.960 0.001 0.000 0.300 22 G HA3 0.191 4.151 3.960 0.001 0.000 0.300 22 G C 1.836 176.734 174.900 -0.002 0.000 0.987 22 G CA 1.810 46.907 45.100 -0.004 0.000 0.881 22 G HN 2.945 nan 8.290 nan 0.000 0.512 23 G N -2.171 106.628 108.800 -0.001 0.000 2.147 23 G HA2 -0.171 3.790 3.960 0.001 0.000 0.244 23 G HA3 -0.171 3.790 3.960 0.001 0.000 0.244 23 G C 0.285 175.187 174.900 0.004 0.000 1.005 23 G CA 0.941 46.042 45.100 0.001 0.000 0.713 23 G HN 1.012 nan 8.290 nan 0.000 0.515 24 R N -0.932 119.569 120.500 0.002 0.000 2.808 24 R HA 0.622 4.962 4.340 0.001 0.000 0.272 24 R C -0.196 176.102 176.300 -0.004 0.000 0.995 24 R CA -0.955 55.148 56.100 0.005 0.000 0.917 24 R CB 1.090 31.394 30.300 0.007 0.000 1.217 24 R HN 0.338 nan 8.270 nan 0.000 0.471 25 R N 0.792 121.290 120.500 -0.004 0.000 2.352 25 R HA 0.440 4.781 4.340 0.001 0.000 0.304 25 R C -0.654 175.621 176.300 -0.042 0.000 1.104 25 R CA -0.624 55.457 56.100 -0.032 0.000 0.991 25 R CB 1.552 31.831 30.300 -0.035 0.000 1.140 25 R HN 0.148 nan 8.270 nan 0.000 0.540 26 V N 4.202 124.088 119.914 -0.047 0.000 2.427 26 V HA 0.270 4.390 4.120 0.001 0.000 0.286 26 V C 0.109 176.152 176.094 -0.086 0.000 1.034 26 V CA -0.823 61.453 62.300 -0.040 0.000 0.893 26 V CB 1.977 33.794 31.823 -0.010 0.000 0.982 26 V HN 0.572 nan 8.190 nan 0.000 0.452 27 L N 6.027 127.180 121.223 -0.117 0.000 2.257 27 L HA 0.460 4.801 4.340 0.001 0.000 0.290 27 L C -1.003 175.855 176.870 -0.020 0.000 1.044 27 L CA -0.573 54.172 54.840 -0.159 0.000 0.810 27 L CB 1.350 43.235 42.059 -0.291 0.000 1.193 27 L HN 0.489 nan 8.230 nan 0.000 0.425 28 L N 5.744 126.993 121.223 0.043 0.000 2.282 28 L HA 0.395 4.736 4.340 0.001 0.000 0.287 28 L C -0.315 176.707 176.870 0.253 0.000 1.075 28 L CA 0.235 55.203 54.840 0.212 0.000 0.839 28 L CB 0.039 42.258 42.059 0.267 0.000 1.219 28 L HN 0.596 nan 8.230 nan 0.000 0.434 29 D N 1.342 121.893 120.400 0.252 0.000 10.788 29 D HA -0.246 4.395 4.640 0.001 0.000 0.346 29 D C -0.555 175.793 176.300 0.080 0.000 3.133 29 D CA 0.353 54.484 54.000 0.219 0.000 2.671 29 D CB -0.215 40.808 40.800 0.372 0.000 1.209 29 D HN 0.641 nan 8.370 nan 0.000 0.941 30 C N 2.837 122.175 119.300 0.064 0.000 3.421 30 C HA 0.571 5.031 4.460 0.001 0.000 0.194 30 C C 0.700 175.709 174.990 0.031 0.000 1.418 30 C CA 0.417 59.464 59.018 0.048 0.000 1.226 30 C CB -0.657 27.113 27.740 0.049 0.000 1.875 30 C HN 0.608 nan 8.230 nan 0.000 0.561 31 G N 2.753 111.518 108.800 -0.058 0.000 2.476 31 G HA2 0.530 4.491 3.960 0.001 0.000 0.269 31 G HA3 0.530 4.491 3.960 0.001 0.000 0.269 31 G C -0.148 174.625 174.900 -0.210 0.000 1.195 31 G CA -0.427 44.597 45.100 -0.127 0.000 0.843 31 G HN 0.810 nan 8.290 nan 0.000 0.545 32 M N 0.474 119.992 119.600 -0.137 0.000 2.314 32 M HA 0.662 5.142 4.480 0.001 0.000 0.342 32 M C -1.070 175.087 176.300 -0.238 0.000 1.171 32 M CA -0.570 54.647 55.300 -0.139 0.000 1.098 32 M CB 1.126 33.778 32.600 0.087 0.000 1.559 32 M HN 0.236 nan 8.290 nan 0.000 0.459 33 F N 1.380 121.271 119.950 -0.099 0.000 2.418 33 F HA 0.366 4.894 4.527 0.001 0.000 0.341 33 F C 0.469 176.250 175.800 -0.033 0.000 1.120 33 F CA 0.257 58.214 58.000 -0.073 0.000 1.232 33 F CB 0.744 39.676 39.000 -0.114 0.000 1.175 33 F HN 0.598 nan 8.300 nan 0.000 0.569 34 Q N 0.634 120.521 119.800 0.145 0.000 2.379 34 Q HA 0.525 4.866 4.340 0.001 0.000 0.278 34 Q C 0.324 176.385 176.000 0.103 0.000 1.068 34 Q CA -0.367 55.503 55.803 0.113 0.000 0.816 34 Q CB 2.548 31.335 28.738 0.082 0.000 1.387 34 Q HN 0.892 nan 8.270 nan 0.000 0.413 35 G N 1.785 110.641 108.800 0.094 0.000 2.543 35 G HA2 -0.428 3.533 3.960 0.001 0.000 0.286 35 G HA3 -0.428 3.533 3.960 0.001 0.000 0.286 35 G C 0.626 175.565 174.900 0.065 0.000 1.153 35 G CA 0.610 45.757 45.100 0.078 0.000 0.968 35 G HN 0.646 nan 8.290 nan 0.000 0.544 36 K N 0.643 121.077 120.400 0.056 0.000 2.107 36 K HA -0.180 4.141 4.320 0.001 0.000 0.211 36 K C 2.301 178.917 176.600 0.026 0.000 1.049 36 K CA 2.124 58.434 56.287 0.038 0.000 0.927 36 K CB -0.191 32.330 32.500 0.036 0.000 0.714 36 K HN 0.514 nan 8.250 nan 0.000 0.452 37 E N 0.351 120.580 120.200 0.049 0.000 2.122 37 E HA -0.132 4.219 4.350 0.001 0.000 0.190 37 E C 1.550 178.147 176.600 -0.005 0.000 0.977 37 E CA 0.469 56.876 56.400 0.011 0.000 0.820 37 E CB -0.138 29.627 29.700 0.108 0.000 0.770 37 E HN 0.223 nan 8.360 nan 0.000 0.462 38 E N 1.270 121.510 120.200 0.067 0.000 2.853 38 E HA -0.358 3.993 4.350 0.001 0.000 0.230 38 E C 1.636 178.236 176.600 -0.001 0.000 0.973 38 E CA 2.720 59.159 56.400 0.064 0.000 1.658 38 E CB -1.071 28.677 29.700 0.079 0.000 1.570 38 E HN 0.268 nan 8.360 nan 0.000 0.441 39 A N -0.164 122.660 122.820 0.007 0.000 2.225 39 A HA -0.173 4.147 4.320 0.001 0.000 0.215 39 A C 1.845 179.378 177.584 -0.086 0.000 1.164 39 A CA 1.515 53.588 52.037 0.061 0.000 0.710 39 A CB -0.428 18.602 19.000 0.049 0.000 0.780 39 A HN 0.239 nan 8.150 nan 0.000 0.473 40 R N 0.270 120.598 120.500 -0.286 0.000 2.148 40 R HA -0.086 4.254 4.340 0.001 0.000 0.227 40 R C 1.070 177.052 176.300 -0.530 0.000 1.103 40 R CA 1.288 57.035 56.100 -0.589 0.000 0.983 40 R CB -0.808 28.700 30.300 -1.320 0.000 0.874 40 R HN 0.754 nan 8.270 nan 0.000 0.451 41 N N 0.301 118.717 118.700 -0.473 0.000 2.651 41 N HA -0.127 4.614 4.740 0.001 0.000 0.193 41 N C 0.956 175.971 175.510 -0.825 0.000 1.149 41 N CA 0.390 52.982 53.050 -0.764 0.000 0.933 41 N CB -0.030 37.532 38.487 -1.541 0.000 0.974 41 N HN 0.365 nan 8.380 nan 0.000 0.448 42 H N -0.078 118.790 119.070 -0.338 0.000 2.604 42 H HA 0.258 4.815 4.556 0.001 0.000 0.273 42 H C 1.066 176.262 175.328 -0.221 0.000 0.971 42 H CA -0.025 55.901 56.048 -0.203 0.000 1.249 42 H CB 0.162 29.859 29.762 -0.108 0.000 1.449 42 H HN 0.130 nan 8.280 nan 0.000 0.512 43 A N 3.459 126.174 122.820 -0.175 0.000 2.386 43 A HA 0.225 4.546 4.320 0.001 0.000 0.246 43 A C -1.745 175.701 177.584 -0.231 0.000 1.089 43 A CA -0.887 51.035 52.037 -0.191 0.000 0.790 43 A CB -0.307 18.539 19.000 -0.256 0.000 1.042 43 A HN 0.050 nan 8.150 nan 0.000 0.497 44 P HA 0.105 nan 4.420 nan 0.000 0.271 44 P C 0.197 177.404 177.300 -0.154 0.000 1.218 44 P CA -0.084 62.923 63.100 -0.155 0.000 0.780 44 P CB 0.367 32.030 31.700 -0.062 0.000 0.901 45 F N 1.733 121.521 119.950 -0.269 0.000 2.120 45 F HA -0.093 4.435 4.527 0.001 0.000 0.300 45 F C 2.262 177.854 175.800 -0.347 0.000 1.095 45 F CA 2.826 60.545 58.000 -0.468 0.000 1.249 45 F CB -0.905 37.354 39.000 -1.235 0.000 0.995 45 F HN 0.659 nan 8.300 nan 0.000 0.480 46 G N -1.301 107.420 108.800 -0.131 0.000 2.192 46 G HA2 -0.177 3.784 3.960 0.001 0.000 0.193 46 G HA3 -0.177 3.784 3.960 0.001 0.000 0.193 46 G C 0.011 174.857 174.900 -0.090 0.000 0.999 46 G CA -0.155 44.982 45.100 0.061 0.000 0.659 46 G HN 0.539 nan 8.290 nan 0.000 0.503 47 F N -0.693 119.071 119.950 -0.310 0.000 2.668 47 F HA 0.716 5.244 4.527 0.001 0.000 0.309 47 F C -0.918 174.784 175.800 -0.163 0.000 1.117 47 F CA -1.611 56.217 58.000 -0.286 0.000 0.951 47 F CB 0.877 39.543 39.000 -0.557 0.000 1.323 47 F HN -0.014 nan 8.300 nan 0.000 0.451 48 D N 3.994 124.425 120.400 0.051 0.000 2.352 48 D HA 0.310 4.951 4.640 0.001 0.000 0.245 48 D C -1.428 174.894 176.300 0.036 0.000 1.224 48 D CA -2.397 51.602 54.000 -0.002 0.000 0.879 48 D CB 1.121 41.944 40.800 0.038 0.000 1.057 48 D HN 0.312 nan 8.370 nan 0.000 0.491 49 P HA -0.183 nan 4.420 nan 0.000 0.224 49 P C 0.609 177.935 177.300 0.043 0.000 1.142 49 P CA 0.935 63.968 63.100 -0.110 0.000 0.778 49 P CB 0.280 31.829 31.700 -0.252 0.000 0.764 50 K N -0.481 119.944 120.400 0.042 0.000 2.418 50 K HA 0.001 4.322 4.320 0.001 0.000 0.195 50 K C 1.529 178.166 176.600 0.061 0.000 1.035 50 K CA 0.493 56.810 56.287 0.049 0.000 1.003 50 K CB 0.165 32.677 32.500 0.021 0.000 0.793 50 K HN 0.053 nan 8.250 nan 0.000 0.494 51 E N 0.548 120.791 120.200 0.072 0.000 2.472 51 E HA 0.031 4.381 4.350 0.001 0.000 0.196 51 E C 0.003 176.642 176.600 0.064 0.000 1.033 51 E CA 0.121 56.557 56.400 0.061 0.000 0.886 51 E CB 0.443 30.177 29.700 0.055 0.000 0.944 51 E HN -0.058 nan 8.360 nan 0.000 0.492 52 V N 2.725 122.695 119.914 0.092 0.000 2.614 52 V HA -0.014 4.106 4.120 0.001 0.000 0.291 52 V C 1.207 177.415 176.094 0.191 0.000 1.049 52 V CA 0.229 62.566 62.300 0.062 0.000 1.038 52 V CB 1.178 32.947 31.823 -0.089 0.000 0.980 52 V HN 0.045 nan 8.190 nan 0.000 0.481 53 D N 2.669 123.144 120.400 0.124 0.000 2.301 53 D HA 0.324 4.965 4.640 0.001 0.000 0.206 53 D C 0.527 176.964 176.300 0.228 0.000 0.979 53 D CA 1.142 55.230 54.000 0.146 0.000 0.874 53 D CB 1.022 41.870 40.800 0.080 0.000 0.968 53 D HN 0.688 nan 8.370 nan 0.000 0.510 54 A N -0.045 122.899 122.820 0.206 0.000 2.586 54 A HA 0.518 4.838 4.320 0.001 0.000 0.291 54 A C -1.826 175.824 177.584 0.110 0.000 1.062 54 A CA -0.579 51.619 52.037 0.267 0.000 0.666 54 A CB 1.834 21.011 19.000 0.295 0.000 1.281 54 A HN -0.057 nan 8.150 nan 0.000 0.421 55 V N 1.265 121.277 119.914 0.163 0.000 2.686 55 V HA 0.755 4.876 4.120 0.001 0.000 0.306 55 V C -1.969 174.258 176.094 0.222 0.000 1.065 55 V CA -0.611 61.731 62.300 0.070 0.000 0.894 55 V CB 1.427 33.188 31.823 -0.104 0.000 1.004 55 V HN 0.885 nan 8.190 nan 0.000 0.424 56 L N 7.058 128.409 121.223 0.212 0.000 2.322 56 L HA 0.650 4.990 4.340 0.001 0.000 0.281 56 L C -0.663 176.389 176.870 0.302 0.000 1.014 56 L CA -0.403 54.621 54.840 0.305 0.000 0.815 56 L CB 1.664 43.870 42.059 0.245 0.000 1.247 56 L HN 0.482 nan 8.230 nan 0.000 0.421 57 L N 2.399 123.797 121.223 0.291 0.000 2.296 57 L HA 0.418 4.759 4.340 0.001 0.000 0.286 57 L C 1.442 178.359 176.870 0.077 0.000 1.023 57 L CA -0.036 54.906 54.840 0.171 0.000 0.812 57 L CB 1.296 43.408 42.059 0.088 0.000 1.223 57 L HN 0.831 nan 8.230 nan 0.000 0.421 58 T N -0.985 113.614 114.554 0.076 0.000 2.904 58 T HA 0.026 4.376 4.350 0.001 0.000 0.267 58 T C 0.483 175.165 174.700 -0.030 0.000 1.059 58 T CA 1.046 63.119 62.100 -0.045 0.000 1.137 58 T CB -0.170 68.719 68.868 0.035 0.000 0.879 58 T HN 0.687 nan 8.240 nan 0.000 0.467 59 H N -2.253 116.689 119.070 -0.214 0.000 3.043 59 H HA 0.572 5.128 4.556 0.001 0.000 0.317 59 H C 0.316 175.562 175.328 -0.137 0.000 1.321 59 H CA -0.716 55.190 56.048 -0.237 0.000 1.243 59 H CB 1.004 30.594 29.762 -0.288 0.000 1.924 59 H HN 0.055 nan 8.280 nan 0.000 0.527 60 A N 0.924 123.653 122.820 -0.152 0.000 2.292 60 A HA -0.075 4.245 4.320 0.001 0.000 0.209 60 A C 0.469 178.036 177.584 -0.029 0.000 1.209 60 A CA 0.345 52.320 52.037 -0.103 0.000 0.746 60 A CB -1.479 17.481 19.000 -0.067 0.000 0.764 60 A HN 0.659 nan 8.150 nan 0.000 0.492 61 H N -1.246 117.672 119.070 -0.254 0.000 2.848 61 H HA 0.121 4.678 4.556 0.001 0.000 0.341 61 H C 1.194 176.483 175.328 -0.066 0.000 1.060 61 H CA -0.626 55.347 56.048 -0.126 0.000 1.444 61 H CB 0.860 30.584 29.762 -0.065 0.000 1.446 61 H HN 0.233 nan 8.280 nan 0.000 0.583 62 L N 3.019 124.304 121.223 0.102 0.000 2.129 62 L HA -0.216 4.125 4.340 0.001 0.000 0.212 62 L C 1.955 178.866 176.870 0.068 0.000 1.087 62 L CA 1.712 56.598 54.840 0.077 0.000 0.757 62 L CB -0.330 41.774 42.059 0.075 0.000 0.896 62 L HN 0.780 nan 8.230 nan 0.000 0.434 63 D N -2.987 117.464 120.400 0.086 0.000 2.363 63 D HA -0.159 4.481 4.640 0.001 0.000 0.226 63 D C 1.215 177.465 176.300 -0.084 0.000 1.020 63 D CA 0.941 54.953 54.000 0.019 0.000 0.892 63 D CB -0.331 40.502 40.800 0.056 0.000 0.900 63 D HN 0.554 nan 8.370 nan 0.000 0.531 64 H N -1.331 117.700 119.070 -0.065 0.000 3.680 64 H HA 0.228 4.785 4.556 0.001 0.000 0.260 64 H C 0.829 176.122 175.328 -0.059 0.000 1.183 64 H CA 0.123 56.129 56.048 -0.071 0.000 1.159 64 H CB 1.673 31.343 29.762 -0.154 0.000 1.567 64 H HN 0.030 nan 8.280 nan 0.000 0.648 65 V N -0.602 119.346 119.914 0.057 0.000 3.408 65 V HA 0.103 4.224 4.120 0.001 0.000 0.263 65 V C 2.386 178.498 176.094 0.031 0.000 1.503 65 V CA 0.917 63.238 62.300 0.034 0.000 1.046 65 V CB 0.840 32.666 31.823 0.006 0.000 0.851 65 V HN 0.405 nan 8.190 nan 0.000 0.435 66 G N 1.021 109.852 108.800 0.051 0.000 2.545 66 G HA2 -0.292 3.669 3.960 0.001 0.000 0.222 66 G HA3 -0.292 3.669 3.960 0.001 0.000 0.222 66 G C 1.510 176.476 174.900 0.110 0.000 1.126 66 G CA 1.066 46.226 45.100 0.100 0.000 0.754 66 G HN 0.444 nan 8.290 nan 0.000 0.583 67 R N -0.543 120.018 120.500 0.101 0.000 2.310 67 R HA 0.215 4.556 4.340 0.001 0.000 0.202 67 R C 2.137 178.530 176.300 0.156 0.000 0.933 67 R CA -0.235 55.957 56.100 0.153 0.000 1.054 67 R CB -0.144 30.251 30.300 0.158 0.000 0.985 67 R HN 0.349 nan 8.270 nan 0.000 0.489 68 L N 2.397 123.659 121.223 0.065 0.000 2.012 68 L HA -0.093 4.247 4.340 0.001 0.000 0.210 68 L C -0.935 176.018 176.870 0.138 0.000 1.073 68 L CA 2.007 56.908 54.840 0.101 0.000 0.748 68 L CB -0.728 41.378 42.059 0.079 0.000 0.891 68 L HN 0.039 nan 8.230 nan 0.000 0.431 69 P HA -0.245 nan 4.420 nan 0.000 0.218 69 P C 1.319 178.662 177.300 0.073 0.000 1.149 69 P CA 1.582 64.573 63.100 -0.182 0.000 0.817 69 P CB -0.131 31.056 31.700 -0.855 0.000 0.785 70 K N -0.519 119.959 120.400 0.129 0.000 2.288 70 K HA -0.083 4.237 4.320 0.001 0.000 0.201 70 K C 2.054 178.900 176.600 0.411 0.000 1.048 70 K CA 0.329 56.814 56.287 0.331 0.000 0.956 70 K CB -0.450 32.252 32.500 0.337 0.000 0.746 70 K HN -0.051 nan 8.250 nan 0.000 0.461 71 L N 0.536 121.972 121.223 0.355 0.000 2.027 71 L HA -0.041 4.299 4.340 0.001 0.000 0.206 71 L C 1.641 178.541 176.870 0.051 0.000 1.074 71 L CA 1.688 56.582 54.840 0.091 0.000 0.745 71 L CB -0.482 41.466 42.059 -0.184 0.000 0.898 71 L HN 0.112 nan 8.230 nan 0.000 0.433 72 F N -0.422 119.591 119.950 0.104 0.000 2.163 72 F HA -0.107 4.421 4.527 0.001 0.000 0.297 72 F C 2.660 178.514 175.800 0.090 0.000 1.094 72 F CA 1.310 59.361 58.000 0.084 0.000 1.290 72 F CB -0.647 38.360 39.000 0.011 0.000 1.017 72 F HN 0.059 nan 8.300 nan 0.000 0.483 73 R N 1.331 122.014 120.500 0.306 0.000 2.133 73 R HA -0.206 4.135 4.340 0.001 0.000 0.247 73 R C 1.191 177.598 176.300 0.179 0.000 1.151 73 R CA 1.931 58.171 56.100 0.234 0.000 0.971 73 R CB -0.711 29.747 30.300 0.264 0.000 0.866 73 R HN 0.360 nan 8.270 nan 0.000 0.447 74 E N -1.742 118.565 120.200 0.178 0.000 2.419 74 E HA 0.192 4.542 4.350 0.001 0.000 0.190 74 E C 0.516 177.163 176.600 0.078 0.000 1.040 74 E CA 0.361 56.840 56.400 0.130 0.000 0.900 74 E CB 0.692 30.493 29.700 0.170 0.000 1.054 74 E HN 0.634 nan 8.360 nan 0.000 0.462 75 G N 1.318 110.159 108.800 0.068 0.000 2.231 75 G HA2 -0.292 3.669 3.960 0.001 0.000 0.206 75 G HA3 -0.292 3.669 3.960 0.001 0.000 0.206 75 G C -0.144 174.735 174.900 -0.035 0.000 0.996 75 G CA -0.368 44.746 45.100 0.024 0.000 0.645 75 G HN 0.396 nan 8.290 nan 0.000 0.498 76 Y N 2.500 122.656 120.300 -0.241 0.000 2.465 76 Y HA 0.587 5.137 4.550 0.001 0.000 0.331 76 Y C 0.772 176.353 175.900 -0.533 0.000 1.102 76 Y CA -0.095 57.754 58.100 -0.420 0.000 1.358 76 Y CB 0.550 38.634 38.460 -0.627 0.000 1.213 76 Y HN 0.018 nan 8.280 nan 0.000 0.525 77 R N 5.350 125.273 120.500 -0.961 0.000 2.795 77 R HA 0.299 4.640 4.340 0.001 0.000 0.320 77 R C -0.129 175.786 176.300 -0.642 0.000 1.223 77 R CA -0.033 55.679 56.100 -0.647 0.000 1.305 77 R CB 0.656 30.845 30.300 -0.186 0.000 1.318 77 R HN 0.926 nan 8.270 nan 0.000 0.636 78 G N 0.777 108.776 108.800 -1.334 0.000 3.075 78 G HA2 0.611 4.572 3.960 0.001 0.000 0.253 78 G HA3 0.611 4.572 3.960 0.001 0.000 0.253 78 G C -2.716 172.233 174.900 0.082 0.000 1.353 78 G CA -1.084 43.692 45.100 -0.540 0.000 1.051 78 G HN -0.085 nan 8.290 nan 0.000 0.553 79 P HA 0.475 nan 4.420 nan 0.000 0.281 79 P C -1.059 176.334 177.300 0.154 0.000 1.264 79 P CA -0.506 62.650 63.100 0.092 0.000 0.824 79 P CB 2.192 33.791 31.700 -0.169 0.000 1.092 80 V N 2.078 121.977 119.914 -0.025 0.000 2.445 80 V HA 0.233 4.353 4.120 0.001 0.000 0.283 80 V C -0.742 175.310 176.094 -0.069 0.000 1.014 80 V CA -0.515 61.836 62.300 0.084 0.000 0.852 80 V CB 0.385 32.346 31.823 0.229 0.000 1.021 80 V HN 0.376 nan 8.190 nan 0.000 0.435 81 Y N 2.872 123.253 120.300 0.135 0.000 2.316 81 Y HA 0.784 5.335 4.550 0.001 0.000 0.331 81 Y C 0.571 176.602 175.900 0.218 0.000 1.083 81 Y CA -0.114 58.062 58.100 0.126 0.000 1.206 81 Y CB 1.645 40.131 38.460 0.044 0.000 1.195 81 Y HN 0.791 nan 8.280 nan 0.000 0.497 82 A N 0.781 123.805 122.820 0.340 0.000 2.597 82 A HA 0.571 4.892 4.320 0.001 0.000 0.292 82 A C -0.305 177.332 177.584 0.090 0.000 1.057 82 A CA -0.727 51.444 52.037 0.222 0.000 0.674 82 A CB 0.267 19.296 19.000 0.049 0.000 1.278 82 A HN 0.709 nan 8.150 nan 0.000 0.416 83 T N -0.506 113.966 114.554 -0.138 0.000 2.856 83 T HA 0.252 4.603 4.350 0.001 0.000 0.306 83 T C 1.256 175.853 174.700 -0.172 0.000 1.062 83 T CA -0.023 61.969 62.100 -0.178 0.000 1.083 83 T CB 0.529 69.154 68.868 -0.405 0.000 0.984 83 T HN 0.642 nan 8.240 nan 0.000 0.542 84 R N 1.163 121.617 120.500 -0.077 0.000 2.096 84 R HA -0.160 4.180 4.340 0.001 0.000 0.240 84 R C 2.708 178.843 176.300 -0.275 0.000 1.139 84 R CA 1.907 57.957 56.100 -0.083 0.000 0.952 84 R CB -1.504 28.845 30.300 0.083 0.000 0.854 84 R HN 0.912 nan 8.270 nan 0.000 0.436 85 A N 0.132 122.535 122.820 -0.696 0.000 1.859 85 A HA -0.206 4.115 4.320 0.001 0.000 0.217 85 A C 2.301 179.615 177.584 -0.450 0.000 1.198 85 A CA 2.543 54.098 52.037 -0.804 0.000 0.629 85 A CB -1.190 16.896 19.000 -1.523 0.000 0.830 85 A HN 0.423 nan 8.150 nan 0.000 0.446 86 T N -0.260 114.041 114.554 -0.422 0.000 2.685 86 T HA -0.169 4.182 4.350 0.001 0.000 0.268 86 T C 1.830 176.429 174.700 -0.168 0.000 1.034 86 T CA 1.731 63.675 62.100 -0.259 0.000 1.149 86 T CB -0.564 68.162 68.868 -0.236 0.000 0.860 86 T HN 0.173 nan 8.240 nan 0.000 0.449 87 V N 1.100 120.922 119.914 -0.154 0.000 2.427 87 V HA -0.083 4.037 4.120 0.001 0.000 0.248 87 V C 2.454 178.497 176.094 -0.085 0.000 1.051 87 V CA 1.366 63.608 62.300 -0.095 0.000 1.048 87 V CB -0.586 31.193 31.823 -0.073 0.000 0.666 87 V HN 0.444 nan 8.190 nan 0.000 0.456 88 L N -1.035 120.124 121.223 -0.107 0.000 2.072 88 L HA -0.112 4.228 4.340 0.001 0.000 0.205 88 L C 2.402 179.237 176.870 -0.059 0.000 1.079 88 L CA 1.364 56.159 54.840 -0.074 0.000 0.752 88 L CB -0.413 41.599 42.059 -0.078 0.000 0.906 88 L HN 0.292 nan 8.230 nan 0.000 0.436 89 L N -0.862 120.312 121.223 -0.083 0.000 2.083 89 L HA -0.271 4.069 4.340 0.001 0.000 0.209 89 L C 2.670 179.524 176.870 -0.026 0.000 1.083 89 L CA 1.281 56.094 54.840 -0.045 0.000 0.752 89 L CB -0.253 41.764 42.059 -0.069 0.000 0.899 89 L HN 0.342 nan 8.230 nan 0.000 0.433 90 M N -0.620 118.954 119.600 -0.044 0.000 2.149 90 M HA -0.266 4.214 4.480 0.001 0.000 0.261 90 M C 2.233 178.525 176.300 -0.015 0.000 1.064 90 M CA 1.677 56.960 55.300 -0.028 0.000 1.102 90 M CB -0.149 32.427 32.600 -0.041 0.000 1.369 90 M HN 0.234 nan 8.290 nan 0.000 0.408 91 E N 0.606 120.794 120.200 -0.019 0.000 2.038 91 E HA -0.227 4.123 4.350 0.001 0.000 0.195 91 E C 1.820 178.425 176.600 0.008 0.000 1.000 91 E CA 1.727 58.120 56.400 -0.011 0.000 0.803 91 E CB -0.183 29.509 29.700 -0.014 0.000 0.750 91 E HN 0.577 nan 8.360 nan 0.000 0.448 92 I N 0.518 121.095 120.570 0.012 0.000 2.099 92 I HA -0.292 3.878 4.170 0.001 0.000 0.239 92 I C 2.574 178.713 176.117 0.038 0.000 1.066 92 I CA 0.969 62.285 61.300 0.026 0.000 1.324 92 I CB -0.407 37.610 38.000 0.029 0.000 1.037 92 I HN 0.035 nan 8.210 nan 0.000 0.401 93 V N 0.619 120.557 119.914 0.041 0.000 2.324 93 V HA -0.285 3.836 4.120 0.001 0.000 0.250 93 V C 2.353 178.486 176.094 0.065 0.000 1.060 93 V CA 1.596 63.930 62.300 0.057 0.000 1.042 93 V CB -0.564 31.295 31.823 0.060 0.000 0.650 93 V HN 0.331 nan 8.190 nan 0.000 0.450 94 L N -0.463 120.790 121.223 0.050 0.000 2.217 94 L HA -0.034 4.307 4.340 0.001 0.000 0.211 94 L C 2.328 179.259 176.870 0.101 0.000 1.107 94 L CA 1.567 56.446 54.840 0.065 0.000 0.783 94 L CB -0.797 41.265 42.059 0.006 0.000 0.919 94 L HN 0.399 nan 8.230 nan 0.000 0.442 95 E N -1.131 119.110 120.200 0.069 0.000 2.112 95 E HA -0.195 4.155 4.350 0.001 0.000 0.190 95 E C 1.676 178.313 176.600 0.062 0.000 0.979 95 E CA 0.898 57.337 56.400 0.065 0.000 0.814 95 E CB -0.031 29.693 29.700 0.041 0.000 0.762 95 E HN 0.476 nan 8.360 nan 0.000 0.460 96 D N 1.020 121.456 120.400 0.061 0.000 2.117 96 D HA -0.161 4.480 4.640 0.001 0.000 0.197 96 D C 1.971 178.307 176.300 0.060 0.000 0.987 96 D CA 1.308 55.341 54.000 0.056 0.000 0.829 96 D CB 0.106 40.942 40.800 0.060 0.000 0.961 96 D HN 0.087 nan 8.370 nan 0.000 0.460 97 A N 1.691 124.565 122.820 0.091 0.000 1.873 97 A HA -0.185 4.136 4.320 0.001 0.000 0.218 97 A C 2.637 180.243 177.584 0.035 0.000 1.193 97 A CA 1.400 53.503 52.037 0.110 0.000 0.629 97 A CB -1.127 18.003 19.000 0.217 0.000 0.826 97 A HN 0.408 nan 8.150 nan 0.000 0.447 98 L N -1.212 120.042 121.223 0.052 0.000 1.963 98 L HA -0.298 4.043 4.340 0.001 0.000 0.220 98 L C 2.682 179.493 176.870 -0.099 0.000 1.076 98 L CA 2.414 57.201 54.840 -0.089 0.000 0.772 98 L CB -0.428 41.633 42.059 0.002 0.000 0.892 98 L HN 0.369 nan 8.230 nan 0.000 0.435 99 K N -0.372 120.008 120.400 -0.034 0.000 2.015 99 K HA -0.185 4.136 4.320 0.001 0.000 0.220 99 K C 0.939 177.520 176.600 -0.032 0.000 1.055 99 K CA 1.345 57.616 56.287 -0.027 0.000 0.951 99 K CB -0.449 32.052 32.500 0.001 0.000 0.725 99 K HN 0.174 nan 8.250 nan 0.000 0.449 100 V N 1.485 121.392 119.914 -0.012 0.000 2.346 100 V HA 0.196 4.317 4.120 0.001 0.000 0.320 100 V C -0.096 175.989 176.094 -0.014 0.000 1.663 100 V CA 0.162 62.462 62.300 -0.001 0.000 1.667 100 V CB -0.912 30.928 31.823 0.029 0.000 1.465 100 V HN 0.276 nan 8.190 nan 0.000 0.524 101 M N 2.256 121.822 119.600 -0.057 0.000 2.182 101 M HA 0.285 4.766 4.480 0.001 0.000 0.266 101 M C 0.692 176.942 176.300 -0.085 0.000 0.989 101 M CA -0.555 54.698 55.300 -0.078 0.000 1.003 101 M CB 1.595 34.088 32.600 -0.179 0.000 1.812 101 M HN 0.500 nan 8.290 nan 0.000 0.472 102 D N 3.879 124.263 120.400 -0.027 0.000 2.327 102 D HA -0.207 4.433 4.640 0.001 0.000 0.205 102 D C -0.426 175.858 176.300 -0.028 0.000 1.036 102 D CA 1.617 55.608 54.000 -0.014 0.000 0.897 102 D CB -0.358 40.456 40.800 0.023 0.000 1.117 102 D HN 0.685 nan 8.370 nan 0.000 0.471 103 E N 2.593 122.808 120.200 0.026 0.000 1.996 103 E HA 0.244 4.594 4.350 0.001 0.000 0.280 103 E C -1.955 174.646 176.600 0.002 0.000 1.092 103 E CA -1.673 54.762 56.400 0.059 0.000 0.862 103 E CB 0.852 30.662 29.700 0.183 0.000 1.066 103 E HN 0.366 nan 8.360 nan 0.000 0.396 104 P HA -0.030 nan 4.420 nan 0.000 0.275 104 P C -0.344 176.816 177.300 -0.233 0.000 1.276 104 P CA -0.140 62.707 63.100 -0.421 0.000 0.782 104 P CB 0.006 31.481 31.700 -0.375 0.000 0.851 105 F N 2.687 122.579 119.950 -0.097 0.000 2.731 105 F HA 0.371 4.898 4.527 0.001 0.000 0.304 105 F C 0.173 176.084 175.800 0.183 0.000 1.133 105 F CA -1.152 56.892 58.000 0.074 0.000 1.380 105 F CB -0.778 38.198 39.000 -0.040 0.000 1.079 105 F HN 0.077 nan 8.300 nan 0.000 0.550 106 F N -1.576 118.338 119.950 -0.059 0.000 2.708 106 F HA 0.811 5.339 4.527 0.001 0.000 0.309 106 F C -0.332 175.431 175.800 -0.061 0.000 1.120 106 F CA -2.001 56.000 58.000 0.002 0.000 0.978 106 F CB 0.568 39.600 39.000 0.055 0.000 1.283 106 F HN 0.022 nan 8.300 nan 0.000 0.439 107 G N 0.656 109.531 108.800 0.125 0.000 2.552 107 G HA2 0.624 4.584 3.960 0.001 0.000 0.318 107 G HA3 0.624 4.584 3.960 0.001 0.000 0.318 107 G C -2.271 172.709 174.900 0.133 0.000 1.240 107 G CA -1.998 43.115 45.100 0.021 0.000 1.002 107 G HN 0.502 nan 8.290 nan 0.000 0.493 108 P HA -0.095 nan 4.420 nan 0.000 0.221 108 P C 0.783 178.131 177.300 0.079 0.000 1.145 108 P CA 1.128 64.275 63.100 0.077 0.000 0.795 108 P CB 0.370 32.087 31.700 0.029 0.000 0.775 109 E N 0.230 120.475 120.200 0.075 0.000 2.150 109 E HA -0.139 4.212 4.350 0.001 0.000 0.193 109 E C 1.785 178.431 176.600 0.077 0.000 0.985 109 E CA 1.099 57.538 56.400 0.065 0.000 0.814 109 E CB -0.803 28.936 29.700 0.064 0.000 0.752 109 E HN 0.330 nan 8.360 nan 0.000 0.466 110 D N 0.184 120.662 120.400 0.131 0.000 2.103 110 D HA -0.070 4.571 4.640 0.001 0.000 0.199 110 D C 2.037 178.352 176.300 0.025 0.000 0.978 110 D CA 0.818 54.897 54.000 0.131 0.000 0.829 110 D CB -0.214 40.736 40.800 0.250 0.000 0.981 110 D HN 0.032 nan 8.370 nan 0.000 0.464 111 V N 1.336 121.296 119.914 0.078 0.000 2.469 111 V HA -0.229 3.891 4.120 0.001 0.000 0.251 111 V C 2.399 178.454 176.094 -0.064 0.000 1.064 111 V CA 1.728 64.024 62.300 -0.006 0.000 1.066 111 V CB -0.402 31.482 31.823 0.102 0.000 0.667 111 V HN 0.216 nan 8.190 nan 0.000 0.461 112 E N -0.273 119.906 120.200 -0.035 0.000 2.112 112 E HA -0.222 4.128 4.350 0.001 0.000 0.190 112 E C 2.153 178.690 176.600 -0.105 0.000 0.979 112 E CA 0.908 57.277 56.400 -0.052 0.000 0.814 112 E CB 0.075 29.766 29.700 -0.014 0.000 0.762 112 E HN 0.588 nan 8.360 nan 0.000 0.460 113 E N 0.600 120.719 120.200 -0.134 0.000 2.051 113 E HA -0.142 4.208 4.350 0.001 0.000 0.192 113 E C 1.716 177.910 176.600 -0.676 0.000 0.991 113 E CA 1.490 57.761 56.400 -0.215 0.000 0.799 113 E CB -0.301 29.332 29.700 -0.111 0.000 0.748 113 E HN 0.334 nan 8.360 nan 0.000 0.449 114 A N 0.660 122.923 122.820 -0.929 0.000 1.841 114 A HA -0.181 4.140 4.320 0.001 0.000 0.216 114 A C 2.352 179.622 177.584 -0.523 0.000 1.199 114 A CA 1.690 52.979 52.037 -1.247 0.000 0.621 114 A CB -1.071 17.601 19.000 -0.547 0.000 0.835 114 A HN 0.334 nan 8.150 nan 0.000 0.445 115 L N -0.585 120.474 121.223 -0.273 0.000 2.089 115 L HA -0.227 4.113 4.340 0.001 0.000 0.213 115 L C 2.713 179.521 176.870 -0.104 0.000 1.079 115 L CA 1.272 56.030 54.840 -0.138 0.000 0.758 115 L CB -0.852 41.151 42.059 -0.093 0.000 0.891 115 L HN 0.550 nan 8.230 nan 0.000 0.433 116 G N -1.914 106.824 108.800 -0.103 0.000 2.509 116 G HA2 -0.219 3.741 3.960 0.001 0.000 0.218 116 G HA3 -0.219 3.741 3.960 0.001 0.000 0.218 116 G C 0.893 175.733 174.900 -0.100 0.000 1.124 116 G CA 0.330 45.383 45.100 -0.079 0.000 0.776 116 G HN 0.451 nan 8.290 nan 0.000 0.547 117 H N -0.588 118.395 119.070 -0.145 0.000 2.517 117 H HA 0.368 4.925 4.556 0.001 0.000 0.282 117 H C 0.631 175.942 175.328 -0.028 0.000 1.023 117 H CA -0.424 55.611 56.048 -0.020 0.000 1.169 117 H CB 0.106 29.993 29.762 0.208 0.000 1.454 117 H HN 0.149 nan 8.280 nan 0.000 0.556 118 L N 1.467 122.698 121.223 0.013 0.000 2.380 118 L HA 0.319 4.660 4.340 0.001 0.000 0.273 118 L C 0.212 177.029 176.870 -0.089 0.000 1.138 118 L CA 0.099 54.922 54.840 -0.029 0.000 0.832 118 L CB 0.763 42.804 42.059 -0.030 0.000 1.124 118 L HN 0.162 nan 8.230 nan 0.000 0.454 119 R N 3.972 124.382 120.500 -0.149 0.000 2.575 119 R HA 0.403 4.744 4.340 0.001 0.000 0.293 119 R C -2.542 173.744 176.300 -0.023 0.000 0.983 119 R CA -1.910 54.106 56.100 -0.141 0.000 0.887 119 R CB 2.038 32.155 30.300 -0.304 0.000 1.184 119 R HN 0.365 nan 8.270 nan 0.000 0.445 120 P HA 0.022 nan 4.420 nan 0.000 0.267 120 P C -0.888 176.496 177.300 0.140 0.000 1.200 120 P CA -0.212 62.928 63.100 0.066 0.000 0.772 120 P CB 0.897 32.621 31.700 0.041 0.000 0.855 121 L N 1.945 123.263 121.223 0.158 0.000 2.676 121 L HA 0.306 4.647 4.340 0.001 0.000 0.262 121 L C -0.630 176.343 176.870 0.173 0.000 0.965 121 L CA -0.226 54.715 54.840 0.169 0.000 0.920 121 L CB 1.310 43.495 42.059 0.210 0.000 1.260 121 L HN 0.195 nan 8.230 nan 0.000 0.422 122 E N 2.632 122.866 120.200 0.057 0.000 2.280 122 E HA 0.297 4.647 4.350 0.001 0.000 0.264 122 E C -0.928 175.656 176.600 -0.028 0.000 1.064 122 E CA -0.594 55.786 56.400 -0.034 0.000 0.900 122 E CB 0.569 30.264 29.700 -0.008 0.000 1.123 122 E HN 0.395 nan 8.360 nan 0.000 0.418 123 Y N 0.236 120.561 120.300 0.043 0.000 2.805 123 Y HA 0.149 4.699 4.550 0.001 0.000 0.331 123 Y C 1.747 177.588 175.900 -0.098 0.000 1.241 123 Y CA 1.595 59.671 58.100 -0.041 0.000 1.546 123 Y CB -0.210 38.197 38.460 -0.089 0.000 1.248 123 Y HN 0.794 nan 8.280 nan 0.000 0.559 124 G N 1.767 110.534 108.800 -0.055 0.000 2.199 124 G HA2 -0.276 3.684 3.960 0.001 0.000 0.254 124 G HA3 -0.276 3.684 3.960 0.001 0.000 0.254 124 G C 0.052 174.815 174.900 -0.229 0.000 0.982 124 G CA -0.061 44.949 45.100 -0.151 0.000 0.632 124 G HN 0.575 nan 8.290 nan 0.000 0.529 125 E N -0.547 119.525 120.200 -0.213 0.000 2.283 125 E HA 0.435 4.785 4.350 0.001 0.000 0.278 125 E C -0.589 175.824 176.600 -0.311 0.000 1.027 125 E CA -0.776 55.535 56.400 -0.148 0.000 0.843 125 E CB 0.566 30.225 29.700 -0.069 0.000 1.062 125 E HN 0.343 nan 8.360 nan 0.000 0.401 126 W N 4.060 125.312 121.300 -0.081 0.000 2.349 126 W HA 0.293 4.954 4.660 0.001 0.000 0.309 126 W C -0.549 175.888 176.519 -0.136 0.000 1.083 126 W CA -0.648 56.630 57.345 -0.111 0.000 1.224 126 W CB 0.682 30.098 29.460 -0.074 0.000 1.256 126 W HN 0.301 nan 8.180 nan 0.000 0.461 127 L N 5.034 126.259 121.223 0.004 0.000 2.322 127 L HA 0.600 4.941 4.340 0.001 0.000 0.279 127 L C -0.421 176.427 176.870 -0.036 0.000 1.036 127 L CA -0.964 53.806 54.840 -0.116 0.000 0.807 127 L CB 0.759 42.580 42.059 -0.396 0.000 1.226 127 L HN 0.307 nan 8.230 nan 0.000 0.433 128 R N 6.053 126.529 120.500 -0.040 0.000 2.439 128 R HA 0.600 4.940 4.340 0.001 0.000 0.310 128 R C -1.606 174.675 176.300 -0.032 0.000 0.955 128 R CA -0.627 55.462 56.100 -0.018 0.000 0.853 128 R CB 1.403 31.700 30.300 -0.005 0.000 1.171 128 R HN 0.629 nan 8.270 nan 0.000 0.449 129 L N 1.682 122.887 121.223 -0.029 0.000 2.376 129 L HA 0.416 4.757 4.340 0.001 0.000 0.275 129 L C 1.098 177.965 176.870 -0.006 0.000 0.987 129 L CA -0.238 54.593 54.840 -0.016 0.000 0.828 129 L CB 2.097 44.142 42.059 -0.024 0.000 1.249 129 L HN 0.910 nan 8.230 nan 0.000 0.409 130 G N 2.988 111.788 108.800 0.000 0.000 2.665 130 G HA2 -0.359 3.602 3.960 0.001 0.000 0.326 130 G HA3 -0.359 3.602 3.960 0.001 0.000 0.326 130 G C 0.571 175.467 174.900 -0.007 0.000 1.231 130 G CA 0.688 45.788 45.100 -0.001 0.000 0.992 130 G HN 1.025 nan 8.290 nan 0.000 0.549 131 A N -1.004 121.811 122.820 -0.009 0.000 2.564 131 A HA 0.696 5.017 4.320 0.001 0.000 0.279 131 A C 0.321 177.897 177.584 -0.013 0.000 1.232 131 A CA 0.857 52.885 52.037 -0.014 0.000 0.950 131 A CB 0.231 19.222 19.000 -0.015 0.000 1.138 131 A HN 1.554 nan 8.150 nan 0.000 0.526 132 L N 0.259 121.478 121.223 -0.006 0.000 2.325 132 L HA 0.727 5.068 4.340 0.001 0.000 0.279 132 L C -0.494 176.386 176.870 0.017 0.000 1.054 132 L CA 0.059 54.901 54.840 0.004 0.000 0.804 132 L CB 1.799 43.859 42.059 0.002 0.000 1.200 132 L HN -0.013 nan 8.230 nan 0.000 0.436 133 S N 5.523 121.258 115.700 0.058 0.000 2.707 133 S HA 0.696 5.166 4.470 0.001 0.000 0.312 133 S C -0.745 174.027 174.600 0.288 0.000 1.116 133 S CA -0.526 57.763 58.200 0.148 0.000 1.078 133 S CB 0.743 63.981 63.200 0.064 0.000 0.997 133 S HN 0.537 nan 8.310 nan 0.000 0.477 134 L N 2.304 123.632 121.223 0.176 0.000 2.330 134 L HA 1.012 5.353 4.340 0.001 0.000 0.271 134 L C 0.071 176.753 176.870 -0.314 0.000 1.013 134 L CA -0.817 54.009 54.840 -0.022 0.000 0.816 134 L CB 1.642 43.598 42.059 -0.172 0.000 1.287 134 L HN 0.689 nan 8.230 nan 0.000 0.435 135 A N 0.759 123.218 122.820 -0.602 0.000 2.602 135 A HA 0.852 5.173 4.320 0.001 0.000 0.290 135 A C -1.762 175.464 177.584 -0.596 0.000 1.114 135 A CA -0.396 51.082 52.037 -0.932 0.000 0.683 135 A CB 1.467 19.384 19.000 -1.805 0.000 1.281 135 A HN 0.380 nan 8.150 nan 0.000 0.416 136 F N 0.051 119.727 119.950 -0.456 0.000 2.492 136 F HA 0.720 5.248 4.527 0.001 0.000 0.327 136 F C 0.897 176.411 175.800 -0.477 0.000 1.079 136 F CA -0.686 57.079 58.000 -0.392 0.000 0.967 136 F CB 2.340 41.139 39.000 -0.335 0.000 1.169 136 F HN 0.791 nan 8.300 nan 0.000 0.472 137 G N 0.917 109.314 108.800 -0.672 0.000 2.519 137 G HA2 0.452 4.412 3.960 0.001 0.000 0.307 137 G HA3 0.452 4.412 3.960 0.001 0.000 0.307 137 G C -1.502 172.953 174.900 -0.742 0.000 1.266 137 G CA -0.720 43.676 45.100 -1.174 0.000 0.970 137 G HN 0.410 nan 8.290 nan 0.000 0.481 138 Q N 0.479 120.089 119.800 -0.315 0.000 2.244 138 Q HA 0.441 4.781 4.340 0.001 0.000 0.278 138 Q C 0.908 176.985 176.000 0.128 0.000 1.093 138 Q CA 0.707 56.359 55.803 -0.251 0.000 0.916 138 Q CB 1.079 29.603 28.738 -0.357 0.000 1.159 138 Q HN 0.597 nan 8.270 nan 0.000 0.384 139 A N 3.678 126.556 122.820 0.097 0.000 2.095 139 A HA 0.355 4.676 4.320 0.001 0.000 0.212 139 A C 1.353 178.917 177.584 -0.034 0.000 1.162 139 A CA 0.552 52.653 52.037 0.106 0.000 0.753 139 A CB -0.493 18.499 19.000 -0.014 0.000 0.840 139 A HN 1.327 nan 8.150 nan 0.000 0.468 140 G N -0.916 107.851 108.800 -0.054 0.000 2.305 140 G HA2 -0.350 3.611 3.960 0.001 0.000 0.287 140 G HA3 -0.350 3.611 3.960 0.001 0.000 0.287 140 G C 0.471 175.327 174.900 -0.074 0.000 1.036 140 G CA 1.242 46.299 45.100 -0.071 0.000 0.887 140 G HN 0.868 nan 8.290 nan 0.000 0.505 141 H N -0.965 117.959 119.070 -0.244 0.000 2.615 141 H HA 0.653 5.209 4.556 0.001 0.000 0.275 141 H C 0.972 176.129 175.328 -0.285 0.000 0.981 141 H CA 1.003 56.858 56.048 -0.321 0.000 1.252 141 H CB 0.371 29.824 29.762 -0.515 0.000 1.447 141 H HN 0.388 nan 8.280 nan 0.000 0.498 142 L N 0.093 121.124 121.223 -0.320 0.000 2.710 142 L HA 0.340 4.681 4.340 0.001 0.000 0.260 142 L C -2.591 174.141 176.870 -0.229 0.000 0.993 142 L CA -2.316 52.335 54.840 -0.315 0.000 0.877 142 L CB 2.649 44.468 42.059 -0.399 0.000 1.461 142 L HN -0.044 nan 8.230 nan 0.000 0.413 143 P HA 0.079 nan 4.420 nan 0.000 0.258 143 P C 0.564 177.616 177.300 -0.414 0.000 1.187 143 P CA 1.175 64.042 63.100 -0.388 0.000 0.767 143 P CB 0.293 31.642 31.700 -0.584 0.000 0.770 144 G N 2.259 110.887 108.800 -0.288 0.000 2.157 144 G HA2 -0.232 3.729 3.960 0.001 0.000 0.248 144 G HA3 -0.232 3.729 3.960 0.001 0.000 0.248 144 G C 0.324 175.078 174.900 -0.244 0.000 0.979 144 G CA 0.126 45.017 45.100 -0.347 0.000 0.650 144 G HN 0.729 nan 8.290 nan 0.000 0.529 145 S N -0.297 115.323 115.700 -0.133 0.000 2.576 145 S HA 0.844 5.314 4.470 0.001 0.000 0.276 145 S C 0.259 174.789 174.600 -0.116 0.000 1.339 145 S CA 0.885 58.978 58.200 -0.179 0.000 1.039 145 S CB 2.166 65.231 63.200 -0.225 0.000 0.902 145 S HN 2.106 nan 8.310 nan 0.000 0.516 146 A N 1.798 124.468 122.820 -0.250 0.000 2.612 146 A HA 0.715 5.036 4.320 0.001 0.000 0.293 146 A C -0.766 176.736 177.584 -0.137 0.000 1.075 146 A CA -1.128 50.776 52.037 -0.222 0.000 0.680 146 A CB 0.671 19.321 19.000 -0.583 0.000 1.279 146 A HN 1.254 nan 8.150 nan 0.000 0.411 147 F N -0.246 119.687 119.950 -0.028 0.000 2.497 147 F HA 0.873 5.401 4.527 0.001 0.000 0.331 147 F C -0.331 175.575 175.800 0.176 0.000 1.060 147 F CA -1.247 56.744 58.000 -0.014 0.000 0.989 147 F CB 0.975 40.041 39.000 0.110 0.000 1.245 147 F HN 0.315 nan 8.300 nan 0.000 0.486 148 V N 1.764 121.930 119.914 0.420 0.000 2.667 148 V HA 0.599 4.719 4.120 0.001 0.000 0.308 148 V C -0.643 175.665 176.094 0.357 0.000 1.048 148 V CA -0.898 61.605 62.300 0.339 0.000 0.928 148 V CB 1.722 33.746 31.823 0.335 0.000 1.004 148 V HN 0.738 nan 8.190 nan 0.000 0.444 149 V N 3.075 123.095 119.914 0.177 0.000 2.443 149 V HA 0.781 4.901 4.120 0.001 0.000 0.293 149 V C 0.033 176.204 176.094 0.128 0.000 1.021 149 V CA -0.410 62.000 62.300 0.183 0.000 0.848 149 V CB 1.663 33.575 31.823 0.148 0.000 0.998 149 V HN 1.021 nan 8.190 nan 0.000 0.424 150 A N 4.655 127.568 122.820 0.156 0.000 2.318 150 A HA 0.845 5.165 4.320 0.001 0.000 0.317 150 A C -0.704 176.965 177.584 0.142 0.000 1.159 150 A CA -0.551 51.566 52.037 0.134 0.000 0.799 150 A CB 1.631 20.687 19.000 0.093 0.000 1.194 150 A HN 0.596 nan 8.150 nan 0.000 0.479 151 Q N 1.493 121.387 119.800 0.156 0.000 2.321 151 Q HA 0.670 5.011 4.340 0.001 0.000 0.270 151 Q C -0.638 175.389 176.000 0.046 0.000 1.032 151 Q CA -0.125 55.738 55.803 0.101 0.000 0.784 151 Q CB 1.993 30.797 28.738 0.110 0.000 1.264 151 Q HN 1.416 nan 8.270 nan 0.000 0.448 152 G N 1.750 110.563 108.800 0.021 0.000 2.411 152 G HA2 0.309 4.270 3.960 0.001 0.000 0.295 152 G HA3 0.309 4.270 3.960 0.001 0.000 0.295 152 G C -1.225 173.674 174.900 -0.002 0.000 1.542 152 G CA -0.463 44.638 45.100 0.003 0.000 0.814 152 G HN 0.644 nan 8.290 nan 0.000 0.557 153 E N -0.954 119.240 120.200 -0.010 0.000 2.360 153 E HA -0.216 4.134 4.350 0.001 0.000 0.238 153 E C 1.366 177.959 176.600 -0.011 0.000 1.186 153 E CA 1.271 57.665 56.400 -0.010 0.000 0.719 153 E CB -1.402 28.294 29.700 -0.007 0.000 1.236 153 E HN 2.496 nan 8.360 nan 0.000 0.386 154 G N 0.211 109.002 108.800 -0.014 0.000 2.203 154 G HA2 -0.378 3.582 3.960 0.001 0.000 0.263 154 G HA3 -0.378 3.582 3.960 0.001 0.000 0.263 154 G C 0.093 174.988 174.900 -0.008 0.000 1.012 154 G CA 0.905 45.997 45.100 -0.014 0.000 0.749 154 G HN 0.325 nan 8.290 nan 0.000 0.512 155 R N -0.898 119.601 120.500 -0.001 0.000 2.771 155 R HA 0.668 5.008 4.340 0.001 0.000 0.274 155 R C -1.154 175.159 176.300 0.021 0.000 0.987 155 R CA -0.669 55.435 56.100 0.006 0.000 0.908 155 R CB 1.692 31.994 30.300 0.003 0.000 1.213 155 R HN 0.107 nan 8.270 nan 0.000 0.468 156 T N 2.407 116.978 114.554 0.027 0.000 2.812 156 T HA 0.413 4.764 4.350 0.001 0.000 0.282 156 T C -0.914 173.816 174.700 0.051 0.000 0.990 156 T CA -0.614 61.517 62.100 0.051 0.000 0.960 156 T CB 1.205 70.106 68.868 0.055 0.000 0.948 156 T HN 0.357 nan 8.240 nan 0.000 0.438 157 L N 4.316 125.582 121.223 0.072 0.000 2.346 157 L HA 0.857 5.198 4.340 0.001 0.000 0.276 157 L C -1.312 175.634 176.870 0.126 0.000 1.006 157 L CA -0.581 54.304 54.840 0.076 0.000 0.817 157 L CB 1.641 43.738 42.059 0.062 0.000 1.272 157 L HN 0.427 nan 8.230 nan 0.000 0.421 158 V N 5.544 125.539 119.914 0.136 0.000 2.409 158 V HA 0.311 4.431 4.120 0.001 0.000 0.291 158 V C -1.048 175.233 176.094 0.312 0.000 1.020 158 V CA -0.418 62.009 62.300 0.213 0.000 0.848 158 V CB 1.282 33.164 31.823 0.099 0.000 0.990 158 V HN 0.744 nan 8.190 nan 0.000 0.430 159 Y N 4.498 124.934 120.300 0.226 0.000 2.369 159 Y HA 0.275 4.826 4.550 0.001 0.000 0.337 159 Y C 1.599 177.666 175.900 0.279 0.000 0.961 159 Y CA -0.251 57.964 58.100 0.192 0.000 1.186 159 Y CB 1.823 40.381 38.460 0.164 0.000 1.139 159 Y HN 0.803 nan 8.280 nan 0.000 0.494 160 S N 4.292 120.148 115.700 0.261 0.000 2.382 160 S HA 0.069 4.540 4.470 0.001 0.000 0.228 160 S C 1.264 175.631 174.600 -0.389 0.000 1.027 160 S CA 0.907 59.024 58.200 -0.137 0.000 0.991 160 S CB -0.816 62.189 63.200 -0.324 0.000 0.823 160 S HN 1.405 nan 8.310 nan 0.000 0.469 161 G N 1.269 109.674 108.800 -0.658 0.000 2.601 161 G HA2 -0.225 3.736 3.960 0.001 0.000 0.252 161 G HA3 -0.225 3.736 3.960 0.001 0.000 0.252 161 G C -0.951 173.787 174.900 -0.270 0.000 1.294 161 G CA 0.108 44.904 45.100 -0.506 0.000 0.912 161 G HN 0.504 nan 8.290 nan 0.000 0.574 162 D N 1.021 121.163 120.400 -0.431 0.000 2.316 162 D HA 0.469 5.110 4.640 0.001 0.000 0.245 162 D C 0.623 176.567 176.300 -0.594 0.000 1.171 162 D CA -0.282 53.373 54.000 -0.576 0.000 0.856 162 D CB 0.701 40.815 40.800 -1.145 0.000 1.090 162 D HN 0.333 nan 8.370 nan 0.000 0.476 163 L N 2.743 123.700 121.223 -0.443 0.000 2.305 163 L HA 0.386 4.727 4.340 0.001 0.000 0.281 163 L C 1.363 178.088 176.870 -0.241 0.000 1.085 163 L CA -0.238 54.353 54.840 -0.416 0.000 0.813 163 L CB 0.894 42.623 42.059 -0.548 0.000 1.157 163 L HN 0.312 nan 8.230 nan 0.000 0.436 164 G N 2.616 111.328 108.800 -0.148 0.000 2.588 164 G HA2 0.062 4.023 3.960 0.001 0.000 0.281 164 G HA3 0.062 4.023 3.960 0.001 0.000 0.281 164 G C 0.018 174.899 174.900 -0.032 0.000 1.236 164 G CA -0.589 44.491 45.100 -0.033 0.000 0.969 164 G HN 0.774 nan 8.290 nan 0.000 0.504 165 N N -0.473 118.218 118.700 -0.015 0.000 2.439 165 N HA 0.064 4.804 4.740 0.001 0.000 0.243 165 N C 1.645 177.131 175.510 -0.041 0.000 1.088 165 N CA -0.463 52.585 53.050 -0.004 0.000 0.940 165 N CB 0.425 38.902 38.487 -0.017 0.000 1.180 165 N HN 0.571 nan 8.380 nan 0.000 0.505 166 R N 3.199 123.686 120.500 -0.022 0.000 2.139 166 R HA -0.188 4.152 4.340 0.001 0.000 0.243 166 R C 0.638 176.901 176.300 -0.062 0.000 1.145 166 R CA 1.637 57.718 56.100 -0.031 0.000 0.976 166 R CB 0.022 30.325 30.300 0.004 0.000 0.866 166 R HN 0.678 nan 8.270 nan 0.000 0.449 167 E N 0.212 120.375 120.200 -0.061 0.000 2.472 167 E HA -0.076 4.275 4.350 0.001 0.000 0.200 167 E C 0.250 176.660 176.600 -0.317 0.000 1.046 167 E CA 0.506 56.852 56.400 -0.090 0.000 0.871 167 E CB 0.220 29.928 29.700 0.014 0.000 0.806 167 E HN 0.402 nan 8.360 nan 0.000 0.533 168 K N 0.246 120.369 120.400 -0.462 0.000 2.583 168 K HA 0.077 4.398 4.320 0.001 0.000 0.266 168 K C 0.464 176.774 176.600 -0.484 0.000 1.037 168 K CA -0.247 55.505 56.287 -0.892 0.000 0.996 168 K CB 0.461 32.602 32.500 -0.599 0.000 1.307 168 K HN -0.159 nan 8.250 nan 0.000 0.502 169 D N -0.852 119.341 120.400 -0.344 0.000 2.461 169 D HA 0.013 4.654 4.640 0.001 0.000 0.266 169 D C 1.784 178.026 176.300 -0.096 0.000 1.085 169 D CA 0.364 54.306 54.000 -0.097 0.000 0.887 169 D CB 0.091 40.955 40.800 0.107 0.000 1.309 169 D HN 0.095 nan 8.370 nan 0.000 0.498 170 V N 1.551 121.389 119.914 -0.127 0.000 2.307 170 V HA -0.099 4.022 4.120 0.001 0.000 0.245 170 V C 1.047 177.155 176.094 0.023 0.000 1.045 170 V CA 1.055 63.257 62.300 -0.163 0.000 1.024 170 V CB -0.173 31.619 31.823 -0.051 0.000 0.651 170 V HN 0.105 nan 8.190 nan 0.000 0.449 171 L N 0.737 121.973 121.223 0.022 0.000 2.416 171 L HA 0.445 4.786 4.340 0.001 0.000 0.262 171 L C -2.220 174.640 176.870 -0.017 0.000 1.093 171 L CA -2.247 52.611 54.840 0.030 0.000 0.801 171 L CB -0.129 41.921 42.059 -0.015 0.000 1.191 171 L HN 0.113 nan 8.230 nan 0.000 0.459 172 P HA 0.129 nan 4.420 nan 0.000 0.278 172 P C -0.763 176.500 177.300 -0.062 0.000 1.238 172 P CA -0.597 62.468 63.100 -0.057 0.000 0.794 172 P CB 0.889 32.529 31.700 -0.100 0.000 0.955 173 D N 2.604 122.977 120.400 -0.044 0.000 2.419 173 D HA 0.084 4.725 4.640 0.001 0.000 0.236 173 D C -1.978 174.318 176.300 -0.006 0.000 1.165 173 D CA -0.354 53.632 54.000 -0.023 0.000 0.882 173 D CB -0.426 40.373 40.800 -0.003 0.000 1.201 173 D HN 0.234 nan 8.370 nan 0.000 0.443 174 P HA 0.039 nan 4.420 nan 0.000 0.271 174 P C -0.436 176.985 177.300 0.201 0.000 1.218 174 P CA -0.143 63.023 63.100 0.110 0.000 0.780 174 P CB 0.703 32.449 31.700 0.077 0.000 0.901 175 S N 2.667 118.559 115.700 0.321 0.000 2.537 175 S HA 0.325 4.796 4.470 0.001 0.000 0.275 175 S C 0.042 174.891 174.600 0.415 0.000 1.272 175 S CA -0.649 57.739 58.200 0.313 0.000 1.050 175 S CB -0.246 63.121 63.200 0.278 0.000 0.961 175 S HN 0.228 nan 8.310 nan 0.000 0.496 176 L N 5.688 127.006 121.223 0.157 0.000 2.482 176 L HA 0.350 4.691 4.340 0.001 0.000 0.273 176 L C -1.643 175.085 176.870 -0.236 0.000 1.228 176 L CA -1.370 53.383 54.840 -0.146 0.000 0.827 176 L CB 0.241 42.215 42.059 -0.142 0.000 1.099 176 L HN 0.587 nan 8.230 nan 0.000 0.494 177 P HA 0.365 nan 4.420 nan 0.000 0.287 177 P C -2.704 174.427 177.300 -0.282 0.000 1.279 177 P CA -1.859 60.901 63.100 -0.567 0.000 0.867 177 P CB 0.861 31.801 31.700 -1.266 0.000 1.127 178 P HA 0.130 nan 4.420 nan 0.000 0.272 178 P C -0.145 177.095 177.300 -0.099 0.000 1.240 178 P CA -0.441 62.635 63.100 -0.040 0.000 0.791 178 P CB 0.450 32.188 31.700 0.063 0.000 0.978 179 L N 1.022 122.202 121.223 -0.072 0.000 2.499 179 L HA 0.344 4.684 4.340 0.001 0.000 0.273 179 L C -0.109 176.733 176.870 -0.047 0.000 1.195 179 L CA 0.436 55.232 54.840 -0.074 0.000 0.882 179 L CB -0.608 41.422 42.059 -0.048 0.000 1.133 179 L HN 0.579 nan 8.230 nan 0.000 0.483 180 A N 3.835 126.621 122.820 -0.055 0.000 2.387 180 A HA 0.534 4.854 4.320 0.001 0.000 0.303 180 A C 0.341 177.914 177.584 -0.017 0.000 1.145 180 A CA -0.496 51.526 52.037 -0.024 0.000 0.801 180 A CB 0.818 19.804 19.000 -0.023 0.000 1.342 180 A HN 0.761 nan 8.150 nan 0.000 0.440 181 D N -1.039 119.358 120.400 -0.004 0.000 2.271 181 D HA 0.204 4.845 4.640 0.001 0.000 0.206 181 D C -0.497 175.800 176.300 -0.006 0.000 0.967 181 D CA 1.175 55.172 54.000 -0.005 0.000 0.867 181 D CB 0.496 41.295 40.800 -0.001 0.000 0.960 181 D HN 0.245 nan 8.370 nan 0.000 0.509 182 L N 0.169 121.392 121.223 0.001 0.000 2.565 182 L HA 0.288 4.629 4.340 0.001 0.000 0.261 182 L C -1.774 175.109 176.870 0.021 0.000 0.932 182 L CA -0.602 54.240 54.840 0.003 0.000 0.878 182 L CB 2.351 44.407 42.059 -0.004 0.000 1.333 182 L HN -0.358 nan 8.230 nan 0.000 0.409 183 V N 5.400 125.332 119.914 0.030 0.000 2.326 183 V HA 0.373 4.494 4.120 0.001 0.000 0.281 183 V C -0.402 175.745 176.094 0.089 0.000 1.015 183 V CA -0.522 61.824 62.300 0.077 0.000 0.823 183 V CB 1.440 33.310 31.823 0.079 0.000 1.009 183 V HN 0.622 nan 8.190 nan 0.000 0.436 184 L N 6.100 127.380 121.223 0.096 0.000 2.401 184 L HA 0.682 5.023 4.340 0.001 0.000 0.283 184 L C 0.503 177.478 176.870 0.174 0.000 1.151 184 L CA 0.185 55.043 54.840 0.030 0.000 0.942 184 L CB -0.076 41.889 42.059 -0.155 0.000 1.283 184 L HN 0.693 nan 8.230 nan 0.000 0.442 185 A N 4.127 127.029 122.820 0.136 0.000 2.306 185 A HA 0.701 5.022 4.320 0.001 0.000 0.330 185 A C -0.331 177.308 177.584 0.092 0.000 1.146 185 A CA -0.680 51.441 52.037 0.140 0.000 0.827 185 A CB 0.646 19.738 19.000 0.154 0.000 1.178 185 A HN 0.756 nan 8.150 nan 0.000 0.490 186 E N 0.509 120.748 120.200 0.064 0.000 2.313 186 E HA 0.536 4.887 4.350 0.001 0.000 0.272 186 E C 0.439 177.054 176.600 0.025 0.000 1.038 186 E CA -0.046 56.394 56.400 0.066 0.000 0.863 186 E CB 1.183 30.933 29.700 0.082 0.000 1.060 186 E HN 0.536 nan 8.360 nan 0.000 0.402 187 G N 1.658 110.470 108.800 0.019 0.000 3.735 187 G HA2 0.015 3.975 3.960 0.001 0.000 0.283 187 G HA3 0.015 3.975 3.960 0.001 0.000 0.283 187 G C 0.708 175.588 174.900 -0.034 0.000 1.007 187 G CA 0.060 45.161 45.100 0.001 0.000 0.821 187 G HN 0.540 nan 8.290 nan 0.000 0.505 188 T N 0.587 115.108 114.554 -0.055 0.000 2.684 188 T HA -0.298 4.053 4.350 0.001 0.000 0.259 188 T C 0.823 175.352 174.700 -0.285 0.000 1.086 188 T CA 1.670 63.663 62.100 -0.179 0.000 1.155 188 T CB -0.321 68.405 68.868 -0.237 0.000 0.848 188 T HN 0.371 nan 8.240 nan 0.000 0.464 189 Y N 0.480 120.701 120.300 -0.131 0.000 2.602 189 Y HA 0.520 5.071 4.550 0.001 0.000 0.373 189 Y C 1.451 177.286 175.900 -0.108 0.000 0.960 189 Y CA -0.916 57.104 58.100 -0.134 0.000 1.281 189 Y CB 0.325 38.703 38.460 -0.137 0.000 1.308 189 Y HN 0.187 nan 8.280 nan 0.000 0.595 190 G N -0.268 108.525 108.800 -0.011 0.000 2.572 190 G HA2 -0.190 3.771 3.960 0.001 0.000 0.216 190 G HA3 -0.190 3.771 3.960 0.001 0.000 0.216 190 G C 1.250 176.146 174.900 -0.006 0.000 1.133 190 G CA 0.989 46.087 45.100 -0.003 0.000 0.791 190 G HN 0.492 nan 8.290 nan 0.000 0.538 191 D N 0.484 120.873 120.400 -0.017 0.000 2.201 191 D HA 0.029 4.670 4.640 0.001 0.000 0.209 191 D C 1.107 177.413 176.300 0.011 0.000 0.961 191 D CA 0.429 54.426 54.000 -0.005 0.000 0.861 191 D CB 0.008 40.800 40.800 -0.013 0.000 0.997 191 D HN 0.344 nan 8.370 nan 0.000 0.486 192 R N -0.077 120.438 120.500 0.025 0.000 2.837 192 R HA 0.659 4.999 4.340 0.001 0.000 0.271 192 R C -2.888 173.382 176.300 -0.049 0.000 0.993 192 R CA -2.295 53.818 56.100 0.021 0.000 0.931 192 R CB -0.217 30.120 30.300 0.062 0.000 1.206 192 R HN -0.090 nan 8.270 nan 0.000 0.474 193 P HA 0.363 nan 4.420 nan 0.000 0.284 193 P C -0.829 176.359 177.300 -0.187 0.000 1.287 193 P CA -0.387 62.606 63.100 -0.178 0.000 0.824 193 P CB 0.898 32.564 31.700 -0.056 0.000 1.180 194 H N -0.286 118.790 119.070 0.011 0.000 2.523 194 H HA 0.377 4.934 4.556 0.001 0.000 0.345 194 H C 0.556 175.898 175.328 0.024 0.000 1.261 194 H CA -0.403 55.648 56.048 0.005 0.000 1.343 194 H CB 0.791 30.531 29.762 -0.036 0.000 1.650 194 H HN 0.243 nan 8.280 nan 0.000 0.591 195 R N 1.479 122.084 120.500 0.175 0.000 2.265 195 R HA 0.217 4.557 4.340 0.001 0.000 0.314 195 R C -2.385 173.954 176.300 0.065 0.000 1.053 195 R CA -1.726 54.430 56.100 0.093 0.000 0.931 195 R CB 0.025 30.368 30.300 0.071 0.000 1.024 195 R HN 0.308 nan 8.270 nan 0.000 0.457 196 P HA -0.221 nan 4.420 nan 0.000 0.258 196 P C -0.200 177.122 177.300 0.036 0.000 1.136 196 P CA 0.826 63.962 63.100 0.060 0.000 0.761 196 P CB 0.158 31.884 31.700 0.044 0.000 0.724 197 Y N 5.007 125.265 120.300 -0.070 0.000 2.274 197 Y HA -0.223 4.328 4.550 0.001 0.000 0.290 197 Y C 2.397 178.223 175.900 -0.123 0.000 1.145 197 Y CA 1.519 59.531 58.100 -0.146 0.000 1.203 197 Y CB -0.099 38.288 38.460 -0.121 0.000 0.984 197 Y HN 0.205 nan 8.280 nan 0.000 0.533 198 R N 0.748 121.302 120.500 0.090 0.000 2.092 198 R HA -0.174 4.167 4.340 0.001 0.000 0.231 198 R C 2.276 178.537 176.300 -0.065 0.000 1.119 198 R CA 1.832 57.957 56.100 0.042 0.000 0.970 198 R CB -0.246 30.104 30.300 0.083 0.000 0.864 198 R HN 0.712 nan 8.270 nan 0.000 0.440 199 E N -1.654 118.505 120.200 -0.068 0.000 2.122 199 E HA -0.073 4.277 4.350 0.001 0.000 0.190 199 E C 1.454 177.980 176.600 -0.122 0.000 0.977 199 E CA 1.348 57.708 56.400 -0.067 0.000 0.820 199 E CB -0.283 29.401 29.700 -0.027 0.000 0.770 199 E HN 0.068 nan 8.360 nan 0.000 0.462 200 T N 1.163 115.585 114.554 -0.220 0.000 2.720 200 T HA -0.137 4.214 4.350 0.001 0.000 0.268 200 T C 1.985 176.506 174.700 -0.299 0.000 1.037 200 T CA 1.590 63.511 62.100 -0.298 0.000 1.144 200 T CB -0.259 68.274 68.868 -0.559 0.000 0.864 200 T HN 0.042 nan 8.240 nan 0.000 0.444 201 V N 1.262 120.900 119.914 -0.460 0.000 2.490 201 V HA -0.164 3.956 4.120 0.001 0.000 0.250 201 V C 2.544 178.606 176.094 -0.053 0.000 1.061 201 V CA 1.616 63.757 62.300 -0.265 0.000 1.064 201 V CB -0.541 31.094 31.823 -0.313 0.000 0.670 201 V HN 0.408 nan 8.190 nan 0.000 0.461 202 R N -0.273 120.176 120.500 -0.084 0.000 2.073 202 R HA -0.131 4.210 4.340 0.001 0.000 0.229 202 R C 2.374 178.658 176.300 -0.027 0.000 1.120 202 R CA 1.441 57.505 56.100 -0.061 0.000 0.967 202 R CB -0.236 30.032 30.300 -0.053 0.000 0.862 202 R HN 0.593 nan 8.270 nan 0.000 0.436 203 E N 0.373 120.570 120.200 -0.006 0.000 2.107 203 E HA -0.186 4.165 4.350 0.001 0.000 0.191 203 E C 1.647 178.251 176.600 0.006 0.000 0.982 203 E CA 0.744 57.144 56.400 0.000 0.000 0.809 203 E CB -0.032 29.682 29.700 0.024 0.000 0.756 203 E HN 0.222 nan 8.360 nan 0.000 0.459 204 F N 1.400 121.313 119.950 -0.062 0.000 2.069 204 F HA -0.198 4.330 4.527 0.001 0.000 0.298 204 F C 1.892 177.648 175.800 -0.074 0.000 1.113 204 F CA 1.531 59.518 58.000 -0.021 0.000 1.214 204 F CB -0.166 38.915 39.000 0.134 0.000 0.978 204 F HN -0.012 nan 8.300 nan 0.000 0.474 205 L N 0.084 121.348 121.223 0.068 0.000 2.093 205 L HA -0.182 4.159 4.340 0.001 0.000 0.208 205 L C 2.490 179.256 176.870 -0.175 0.000 1.085 205 L CA 1.722 56.510 54.840 -0.086 0.000 0.755 205 L CB -0.934 41.068 42.059 -0.095 0.000 0.904 205 L HN 0.301 nan 8.230 nan 0.000 0.435 206 E N 1.139 121.257 120.200 -0.137 0.000 2.058 206 E HA -0.241 4.110 4.350 0.001 0.000 0.194 206 E C 2.283 178.774 176.600 -0.181 0.000 0.997 206 E CA 1.421 57.743 56.400 -0.130 0.000 0.801 206 E CB -0.029 29.618 29.700 -0.088 0.000 0.746 206 E HN 0.456 nan 8.360 nan 0.000 0.450 207 I N 0.887 121.297 120.570 -0.266 0.000 2.113 207 I HA -0.310 3.861 4.170 0.001 0.000 0.238 207 I C 2.566 178.485 176.117 -0.330 0.000 1.070 207 I CA 1.021 62.107 61.300 -0.357 0.000 1.332 207 I CB -0.335 37.310 38.000 -0.592 0.000 1.044 207 I HN 0.216 nan 8.210 nan 0.000 0.402 208 L N 0.349 121.321 121.223 -0.420 0.000 2.129 208 L HA -0.259 4.081 4.340 0.001 0.000 0.212 208 L C 2.510 179.251 176.870 -0.215 0.000 1.087 208 L CA 1.422 56.056 54.840 -0.345 0.000 0.757 208 L CB -0.529 41.281 42.059 -0.415 0.000 0.896 208 L HN 0.324 nan 8.230 nan 0.000 0.434 209 E N 0.195 120.281 120.200 -0.190 0.000 2.106 209 E HA -0.244 4.106 4.350 0.001 0.000 0.192 209 E C 2.188 178.724 176.600 -0.107 0.000 0.984 209 E CA 1.157 57.477 56.400 -0.133 0.000 0.806 209 E CB 0.171 29.799 29.700 -0.120 0.000 0.750 209 E HN 0.299 nan 8.360 nan 0.000 0.458 210 K N -0.377 119.957 120.400 -0.111 0.000 1.995 210 K HA -0.122 4.198 4.320 0.001 0.000 0.207 210 K C 2.344 178.900 176.600 -0.072 0.000 1.041 210 K CA 1.783 58.022 56.287 -0.079 0.000 0.942 210 K CB -0.487 31.971 32.500 -0.069 0.000 0.731 210 K HN 0.129 nan 8.250 nan 0.000 0.439 211 T N 0.473 114.974 114.554 -0.089 0.000 2.720 211 T HA -0.152 4.199 4.350 0.001 0.000 0.268 211 T C 1.942 176.602 174.700 -0.067 0.000 1.037 211 T CA 1.289 63.346 62.100 -0.071 0.000 1.144 211 T CB -0.223 68.596 68.868 -0.081 0.000 0.864 211 T HN 0.168 nan 8.240 nan 0.000 0.444 212 L N 1.411 122.582 121.223 -0.087 0.000 2.012 212 L HA 0.019 4.359 4.340 0.001 0.000 0.210 212 L C 3.062 179.899 176.870 -0.054 0.000 1.073 212 L CA 1.870 56.666 54.840 -0.072 0.000 0.748 212 L CB -1.168 40.838 42.059 -0.088 0.000 0.891 212 L HN 0.280 nan 8.230 nan 0.000 0.431 213 S N -0.766 114.900 115.700 -0.056 0.000 2.419 213 S HA -0.199 4.272 4.470 0.001 0.000 0.235 213 S C 1.365 175.946 174.600 -0.033 0.000 1.019 213 S CA 1.148 59.322 58.200 -0.043 0.000 0.982 213 S CB -0.307 62.867 63.200 -0.044 0.000 0.789 213 S HN 0.676 nan 8.310 nan 0.000 0.490 214 Q N 0.270 120.051 119.800 -0.032 0.000 2.225 214 Q HA 0.433 4.773 4.340 0.001 0.000 0.222 214 Q C 0.850 176.839 176.000 -0.018 0.000 0.887 214 Q CA 0.235 56.025 55.803 -0.022 0.000 0.958 214 Q CB -0.238 28.488 28.738 -0.020 0.000 1.058 214 Q HN 0.302 nan 8.270 nan 0.000 0.459 215 G N 0.176 108.964 108.800 -0.020 0.000 2.258 215 G HA2 -0.289 3.672 3.960 0.001 0.000 0.274 215 G HA3 -0.289 3.672 3.960 0.001 0.000 0.274 215 G C 0.326 175.221 174.900 -0.009 0.000 1.021 215 G CA 0.054 45.147 45.100 -0.013 0.000 0.798 215 G HN 0.694 nan 8.290 nan 0.000 0.507 216 G N -1.075 107.716 108.800 -0.016 0.000 2.511 216 G HA2 0.633 4.594 3.960 0.001 0.000 0.316 216 G HA3 0.633 4.594 3.960 0.001 0.000 0.316 216 G C -0.141 174.750 174.900 -0.014 0.000 1.210 216 G CA -0.832 44.261 45.100 -0.012 0.000 0.969 216 G HN 0.394 nan 8.290 nan 0.000 0.492 217 K N -0.444 119.951 120.400 -0.008 0.000 2.182 217 K HA 0.490 4.811 4.320 0.001 0.000 0.262 217 K C -0.989 175.591 176.600 -0.034 0.000 0.957 217 K CA -0.608 55.675 56.287 -0.007 0.000 0.842 217 K CB 2.543 35.054 32.500 0.018 0.000 1.099 217 K HN 0.145 nan 8.250 nan 0.000 0.438 218 V N 4.539 124.420 119.914 -0.055 0.000 2.350 218 V HA 0.191 4.312 4.120 0.001 0.000 0.276 218 V C -0.715 175.329 176.094 -0.083 0.000 1.028 218 V CA -0.796 61.449 62.300 -0.091 0.000 0.860 218 V CB 0.897 32.634 31.823 -0.143 0.000 0.990 218 V HN 0.500 nan 8.190 nan 0.000 0.453 219 L N 7.078 128.248 121.223 -0.089 0.000 2.265 219 L HA 0.550 4.891 4.340 0.001 0.000 0.289 219 L C -0.178 176.619 176.870 -0.121 0.000 1.033 219 L CA 0.226 55.007 54.840 -0.099 0.000 0.814 219 L CB 1.208 43.221 42.059 -0.077 0.000 1.203 219 L HN 0.466 nan 8.230 nan 0.000 0.423 220 I N 6.379 126.890 120.570 -0.098 0.000 2.466 220 I HA 0.309 4.479 4.170 0.001 0.000 0.279 220 I C -2.255 173.825 176.117 -0.062 0.000 1.033 220 I CA -1.715 59.542 61.300 -0.072 0.000 1.123 220 I CB 1.901 39.890 38.000 -0.020 0.000 1.237 220 I HN 0.375 nan 8.210 nan 0.000 0.460 221 P HA 0.217 nan 4.420 nan 0.000 0.276 221 P C -0.603 176.641 177.300 -0.093 0.000 1.230 221 P CA 0.085 63.164 63.100 -0.035 0.000 0.776 221 P CB 1.287 33.010 31.700 0.038 0.000 0.888 222 T N -0.436 114.039 114.554 -0.131 0.000 2.883 222 T HA 0.576 4.927 4.350 0.001 0.000 0.301 222 T C -0.420 174.187 174.700 -0.155 0.000 1.158 222 T CA -0.684 61.314 62.100 -0.171 0.000 1.007 222 T CB 0.652 69.489 68.868 -0.053 0.000 1.186 222 T HN 0.082 nan 8.240 nan 0.000 0.499 223 F N 0.918 120.913 119.950 0.075 0.000 2.399 223 F HA 0.541 5.069 4.527 0.001 0.000 0.342 223 F C 1.822 177.651 175.800 0.048 0.000 1.106 223 F CA -0.861 57.181 58.000 0.070 0.000 1.196 223 F CB 0.991 40.041 39.000 0.083 0.000 1.163 223 F HN 0.874 nan 8.300 nan 0.000 0.547 224 A N 2.546 125.507 122.820 0.234 0.000 2.015 224 A HA -0.047 4.274 4.320 0.001 0.000 0.219 224 A C 1.978 179.619 177.584 0.095 0.000 1.163 224 A CA 1.284 53.394 52.037 0.123 0.000 0.646 224 A CB -0.673 18.387 19.000 0.099 0.000 0.806 224 A HN 0.623 nan 8.150 nan 0.000 0.448 225 V N -0.621 119.382 119.914 0.149 0.000 2.283 225 V HA -0.136 3.985 4.120 0.001 0.000 0.243 225 V C 2.448 178.616 176.094 0.124 0.000 1.039 225 V CA 2.256 64.639 62.300 0.138 0.000 1.016 225 V CB -0.219 31.731 31.823 0.212 0.000 0.650 225 V HN 0.721 nan 8.190 nan 0.000 0.449 226 E N -0.998 119.297 120.200 0.158 0.000 2.502 226 E HA 0.012 4.362 4.350 0.001 0.000 0.206 226 E C 2.211 178.879 176.600 0.114 0.000 0.821 226 E CA -0.084 56.397 56.400 0.135 0.000 1.354 226 E CB 0.347 30.108 29.700 0.103 0.000 1.336 226 E HN 0.232 nan 8.360 nan 0.000 0.675 227 R N 1.506 122.102 120.500 0.160 0.000 2.081 227 R HA 0.024 4.365 4.340 0.001 0.000 0.235 227 R C 2.134 178.456 176.300 0.036 0.000 1.131 227 R CA 1.866 58.041 56.100 0.126 0.000 0.960 227 R CB -0.755 29.669 30.300 0.207 0.000 0.856 227 R HN 0.193 nan 8.270 nan 0.000 0.436 228 A N 0.903 123.744 122.820 0.036 0.000 1.849 228 A HA -0.263 4.057 4.320 0.001 0.000 0.217 228 A C 1.913 179.475 177.584 -0.037 0.000 1.202 228 A CA 2.010 54.039 52.037 -0.014 0.000 0.629 228 A CB -0.742 18.248 19.000 -0.017 0.000 0.834 228 A HN 0.505 nan 8.150 nan 0.000 0.447 229 Q N -0.275 119.465 119.800 -0.100 0.000 2.226 229 Q HA -0.192 4.149 4.340 0.001 0.000 0.204 229 Q C 1.711 177.780 176.000 0.115 0.000 0.975 229 Q CA 1.615 57.334 55.803 -0.140 0.000 0.866 229 Q CB -0.634 27.728 28.738 -0.627 0.000 0.915 229 Q HN 0.873 nan 8.270 nan 0.000 0.440 230 E N 0.446 120.721 120.200 0.124 0.000 2.110 230 E HA -0.137 4.214 4.350 0.001 0.000 0.193 230 E C 1.869 178.565 176.600 0.160 0.000 0.988 230 E CA 0.626 57.166 56.400 0.232 0.000 0.804 230 E CB 0.169 29.977 29.700 0.181 0.000 0.745 230 E HN 0.212 nan 8.360 nan 0.000 0.458 231 I N 1.162 121.720 120.570 -0.020 0.000 2.179 231 I HA -0.276 3.895 4.170 0.001 0.000 0.242 231 I C 2.446 178.585 176.117 0.036 0.000 1.088 231 I CA 1.131 62.349 61.300 -0.137 0.000 1.357 231 I CB -1.225 36.679 38.000 -0.160 0.000 1.051 231 I HN 0.276 nan 8.210 nan 0.000 0.409 232 L N -0.486 120.792 121.223 0.093 0.000 2.081 232 L HA -0.302 4.039 4.340 0.001 0.000 0.212 232 L C 2.722 179.695 176.870 0.173 0.000 1.080 232 L CA 1.677 56.594 54.840 0.129 0.000 0.754 232 L CB -0.900 41.241 42.059 0.137 0.000 0.893 232 L HN 0.228 nan 8.230 nan 0.000 0.433 233 Y N 0.269 120.644 120.300 0.124 0.000 2.200 233 Y HA -0.186 4.365 4.550 0.001 0.000 0.290 233 Y C 2.381 178.282 175.900 0.003 0.000 1.137 233 Y CA 1.472 59.562 58.100 -0.017 0.000 1.163 233 Y CB -0.230 38.211 38.460 -0.030 0.000 0.988 233 Y HN -0.157 nan 8.280 nan 0.000 0.518 234 V N 0.503 120.447 119.914 0.050 0.000 2.490 234 V HA -0.302 3.819 4.120 0.001 0.000 0.250 234 V C 2.382 178.517 176.094 0.068 0.000 1.061 234 V CA 1.827 64.156 62.300 0.049 0.000 1.064 234 V CB -0.733 31.165 31.823 0.125 0.000 0.670 234 V HN 0.432 nan 8.190 nan 0.000 0.461 235 L N -1.450 119.817 121.223 0.073 0.000 2.156 235 L HA -0.152 4.188 4.340 0.001 0.000 0.208 235 L C 2.435 179.298 176.870 -0.012 0.000 1.095 235 L CA 1.686 56.575 54.840 0.081 0.000 0.770 235 L CB -0.564 41.546 42.059 0.086 0.000 0.914 235 L HN 0.396 nan 8.230 nan 0.000 0.439 236 Y N 1.197 121.377 120.300 -0.199 0.000 2.220 236 Y HA -0.234 4.317 4.550 0.001 0.000 0.291 236 Y C 2.794 178.495 175.900 -0.331 0.000 1.129 236 Y CA 1.879 59.821 58.100 -0.263 0.000 1.161 236 Y CB -0.162 38.084 38.460 -0.357 0.000 0.997 236 Y HN 0.208 nan 8.280 nan 0.000 0.522 237 T N -3.012 111.306 114.554 -0.393 0.000 3.160 237 T HA -0.042 4.309 4.350 0.001 0.000 0.257 237 T C 0.647 175.030 174.700 -0.528 0.000 1.147 237 T CA 1.067 62.852 62.100 -0.525 0.000 1.064 237 T CB -0.308 68.101 68.868 -0.766 0.000 0.949 237 T HN 0.475 nan 8.240 nan 0.000 0.526 238 H N -0.828 118.195 119.070 -0.078 0.000 3.052 238 H HA 0.406 4.963 4.556 0.001 0.000 0.257 238 H C 2.044 177.182 175.328 -0.318 0.000 1.193 238 H CA -0.121 55.846 56.048 -0.136 0.000 1.072 238 H CB 0.177 29.875 29.762 -0.108 0.000 1.685 238 H HN 0.454 nan 8.280 nan 0.000 0.630 239 G N 1.243 109.975 108.800 -0.112 0.000 2.475 239 G HA2 -0.338 3.622 3.960 0.001 0.000 0.220 239 G HA3 -0.338 3.622 3.960 0.001 0.000 0.220 239 G C 1.508 176.328 174.900 -0.133 0.000 1.125 239 G CA 1.461 46.480 45.100 -0.136 0.000 0.755 239 G HN 0.607 nan 8.290 nan 0.000 0.565 240 H N 1.130 120.148 119.070 -0.086 0.000 2.265 240 H HA -0.202 4.355 4.556 0.001 0.000 0.293 240 H C 2.487 177.793 175.328 -0.037 0.000 1.089 240 H CA 1.648 57.659 56.048 -0.062 0.000 1.244 240 H CB -0.562 29.169 29.762 -0.053 0.000 1.355 240 H HN 0.484 nan 8.280 nan 0.000 0.485 241 R N 1.307 121.508 120.500 -0.498 0.000 2.189 241 R HA 0.103 4.444 4.340 0.001 0.000 0.218 241 R C 0.415 176.608 176.300 -0.178 0.000 1.074 241 R CA 0.433 56.379 56.100 -0.257 0.000 0.991 241 R CB -0.141 29.982 30.300 -0.296 0.000 0.883 241 R HN 0.281 nan 8.270 nan 0.000 0.457 242 L N 4.005 125.114 121.223 -0.190 0.000 2.367 242 L HA 0.281 4.621 4.340 0.001 0.000 0.275 242 L C -1.787 175.026 176.870 -0.094 0.000 1.129 242 L CA -2.164 52.600 54.840 -0.127 0.000 0.839 242 L CB 0.945 42.937 42.059 -0.111 0.000 1.133 242 L HN 0.083 nan 8.230 nan 0.000 0.453 243 P HA 0.050 nan 4.420 nan 0.000 0.267 243 P C -0.783 176.479 177.300 -0.063 0.000 1.205 243 P CA -0.412 62.650 63.100 -0.064 0.000 0.765 243 P CB 0.329 31.994 31.700 -0.059 0.000 0.828 244 R N 2.194 122.661 120.500 -0.055 0.000 2.640 244 R HA 0.521 4.862 4.340 0.001 0.000 0.270 244 R C -0.265 176.001 176.300 -0.056 0.000 1.024 244 R CA -0.289 55.777 56.100 -0.056 0.000 1.085 244 R CB -0.156 30.115 30.300 -0.048 0.000 0.963 244 R HN 0.564 nan 8.270 nan 0.000 0.426 245 A N 2.986 125.765 122.820 -0.069 0.000 2.590 245 A HA 0.461 4.782 4.320 0.001 0.000 0.294 245 A C -2.782 174.729 177.584 -0.121 0.000 1.046 245 A CA -1.398 50.596 52.037 -0.071 0.000 0.684 245 A CB 1.484 20.449 19.000 -0.059 0.000 1.279 245 A HN 0.710 nan 8.150 nan 0.000 0.415 246 P HA 0.574 nan 4.420 nan 0.000 0.274 246 P C -0.883 176.166 177.300 -0.418 0.000 1.231 246 P CA 0.006 62.884 63.100 -0.370 0.000 0.790 246 P CB 0.749 32.125 31.700 -0.540 0.000 0.951 247 I N 2.392 122.685 120.570 -0.461 0.000 2.420 247 I HA 0.243 4.414 4.170 0.001 0.000 0.282 247 I C -0.487 175.439 176.117 -0.320 0.000 1.019 247 I CA -0.812 60.321 61.300 -0.278 0.000 1.130 247 I CB 0.749 38.668 38.000 -0.135 0.000 1.262 247 I HN 0.245 nan 8.210 nan 0.000 0.454 248 Y N 6.011 126.289 120.300 -0.036 0.000 2.326 248 Y HA 0.365 4.915 4.550 0.001 0.000 0.337 248 Y C 0.035 175.908 175.900 -0.045 0.000 1.023 248 Y CA -0.784 57.295 58.100 -0.035 0.000 1.143 248 Y CB 1.266 39.705 38.460 -0.034 0.000 1.183 248 Y HN 0.414 nan 8.280 nan 0.000 0.485 249 L N 4.459 125.746 121.223 0.106 0.000 2.352 249 L HA 0.278 4.619 4.340 0.001 0.000 0.272 249 L C -0.108 176.802 176.870 0.068 0.000 1.109 249 L CA -0.147 54.724 54.840 0.051 0.000 0.952 249 L CB -0.164 41.906 42.059 0.019 0.000 1.314 249 L HN 0.554 nan 8.230 nan 0.000 0.427 250 D N 2.040 122.477 120.400 0.062 0.000 2.934 250 D HA 0.143 4.784 4.640 0.001 0.000 0.237 250 D C -0.638 175.703 176.300 0.070 0.000 1.158 250 D CA 0.441 54.484 54.000 0.072 0.000 0.971 250 D CB 0.036 40.886 40.800 0.084 0.000 1.123 250 D HN 0.330 nan 8.370 nan 0.000 0.467 251 S N 1.164 116.896 115.700 0.054 0.000 2.680 251 S HA 0.328 4.799 4.470 0.001 0.000 0.262 251 S C -2.153 172.472 174.600 0.041 0.000 1.138 251 S CA -1.093 57.138 58.200 0.053 0.000 1.072 251 S CB 1.376 64.604 63.200 0.046 0.000 1.097 251 S HN -0.057 nan 8.310 nan 0.000 0.468 252 P HA -0.130 nan 4.420 nan 0.000 0.216 252 P C 1.539 178.859 177.300 0.033 0.000 1.150 252 P CA 1.001 64.127 63.100 0.043 0.000 0.843 252 P CB 0.089 31.829 31.700 0.066 0.000 0.787 253 M N -0.585 119.039 119.600 0.040 0.000 2.099 253 M HA -0.069 4.412 4.480 0.001 0.000 0.262 253 M C 2.001 178.309 176.300 0.013 0.000 1.067 253 M CA 2.036 57.356 55.300 0.034 0.000 1.124 253 M CB -0.766 31.864 32.600 0.050 0.000 1.353 253 M HN -0.146 nan 8.290 nan 0.000 0.410 254 A N 0.247 123.073 122.820 0.010 0.000 1.958 254 A HA -0.129 4.192 4.320 0.001 0.000 0.221 254 A C 2.303 179.849 177.584 -0.063 0.000 1.178 254 A CA 2.094 54.115 52.037 -0.027 0.000 0.642 254 A CB -1.932 17.059 19.000 -0.014 0.000 0.816 254 A HN 0.697 nan 8.150 nan 0.000 0.453 255 G N -0.948 107.834 108.800 -0.030 0.000 2.404 255 G HA2 -0.204 3.757 3.960 0.001 0.000 0.215 255 G HA3 -0.204 3.757 3.960 0.001 0.000 0.215 255 G C 1.741 176.620 174.900 -0.034 0.000 1.174 255 G CA 0.801 45.881 45.100 -0.033 0.000 0.780 255 G HN 0.567 nan 8.290 nan 0.000 0.537 256 R N -0.279 120.213 120.500 -0.013 0.000 2.105 256 R HA -0.040 4.301 4.340 0.001 0.000 0.239 256 R C 2.615 178.907 176.300 -0.012 0.000 1.135 256 R CA 1.124 57.223 56.100 -0.001 0.000 0.967 256 R CB -0.532 29.776 30.300 0.014 0.000 0.861 256 R HN 0.301 nan 8.270 nan 0.000 0.442 257 V N 1.185 121.073 119.914 -0.042 0.000 2.358 257 V HA -0.211 3.910 4.120 0.001 0.000 0.246 257 V C 2.167 178.151 176.094 -0.184 0.000 1.047 257 V CA 1.293 63.553 62.300 -0.068 0.000 1.035 257 V CB -0.366 31.398 31.823 -0.099 0.000 0.658 257 V HN 0.214 nan 8.190 nan 0.000 0.452 258 L N 0.097 121.171 121.223 -0.249 0.000 2.012 258 L HA -0.167 4.173 4.340 0.001 0.000 0.210 258 L C 2.586 179.414 176.870 -0.069 0.000 1.073 258 L CA 2.251 56.916 54.840 -0.290 0.000 0.748 258 L CB -0.792 41.161 42.059 -0.177 0.000 0.891 258 L HN 0.283 nan 8.230 nan 0.000 0.431 259 S N -0.720 114.974 115.700 -0.009 0.000 2.383 259 S HA -0.184 4.286 4.470 0.001 0.000 0.229 259 S C 1.775 176.432 174.600 0.095 0.000 1.030 259 S CA 1.544 59.773 58.200 0.049 0.000 1.002 259 S CB -0.495 62.727 63.200 0.035 0.000 0.829 259 S HN 0.419 nan 8.310 nan 0.000 0.467 260 L N 0.403 121.689 121.223 0.106 0.000 2.217 260 L HA 0.115 4.456 4.340 0.001 0.000 0.211 260 L C 1.677 178.694 176.870 0.246 0.000 1.107 260 L CA 1.385 56.310 54.840 0.142 0.000 0.783 260 L CB -0.738 41.391 42.059 0.116 0.000 0.919 260 L HN 0.348 nan 8.230 nan 0.000 0.442 261 Y N 0.284 120.622 120.300 0.064 0.000 2.151 261 Y HA -0.256 4.294 4.550 0.001 0.000 0.284 261 Y C -0.206 175.851 175.900 0.260 0.000 1.166 261 Y CA 1.326 59.537 58.100 0.186 0.000 1.163 261 Y CB -1.349 37.130 38.460 0.032 0.000 0.974 261 Y HN 0.294 nan 8.280 nan 0.000 0.511 262 P HA -0.165 nan 4.420 nan 0.000 0.218 262 P C 0.700 177.966 177.300 -0.056 0.000 1.148 262 P CA 1.741 64.915 63.100 0.124 0.000 0.822 262 P CB -0.034 31.797 31.700 0.219 0.000 0.784 263 R N -1.344 119.172 120.500 0.027 0.000 2.313 263 R HA 0.095 4.436 4.340 0.001 0.000 0.199 263 R C 0.464 176.748 176.300 -0.028 0.000 0.958 263 R CA 0.358 56.451 56.100 -0.012 0.000 1.047 263 R CB -0.236 30.072 30.300 0.013 0.000 0.955 263 R HN 0.157 nan 8.270 nan 0.000 0.481 264 L N -0.647 120.551 121.223 -0.042 0.000 2.959 264 L HA 0.094 4.434 4.340 0.001 0.000 0.259 264 L C 1.468 178.191 176.870 -0.245 0.000 1.185 264 L CA 0.331 55.099 54.840 -0.120 0.000 0.998 264 L CB 0.561 42.400 42.059 -0.367 0.000 1.337 264 L HN -0.079 nan 8.230 nan 0.000 0.555 265 V N 1.654 121.486 119.914 -0.137 0.000 2.363 265 V HA -0.324 3.797 4.120 0.001 0.000 0.254 265 V C 2.638 178.693 176.094 -0.064 0.000 1.074 265 V CA 2.496 64.751 62.300 -0.075 0.000 1.069 265 V CB -0.214 31.330 31.823 -0.466 0.000 0.659 265 V HN 0.746 nan 8.190 nan 0.000 0.455 266 R N -1.875 118.505 120.500 -0.199 0.000 2.357 266 R HA -0.111 4.230 4.340 0.001 0.000 0.202 266 R C 1.559 177.574 176.300 -0.475 0.000 1.047 266 R CA 1.698 57.615 56.100 -0.304 0.000 1.034 266 R CB -0.572 29.497 30.300 -0.385 0.000 0.875 266 R HN 0.603 nan 8.270 nan 0.000 0.473 267 Y N -0.335 119.740 120.300 -0.374 0.000 2.449 267 Y HA 0.287 4.838 4.550 0.001 0.000 0.254 267 Y C 0.282 175.898 175.900 -0.473 0.000 1.140 267 Y CA -0.585 57.257 58.100 -0.430 0.000 1.272 267 Y CB 0.329 38.450 38.460 -0.565 0.000 1.114 267 Y HN -0.122 nan 8.280 nan 0.000 0.525 268 F N -0.473 119.494 119.950 0.028 0.000 2.321 268 F HA 0.347 4.874 4.527 0.001 0.000 0.318 268 F C 1.177 176.967 175.800 -0.017 0.000 1.129 268 F CA -1.513 56.493 58.000 0.011 0.000 1.074 268 F CB -0.077 38.972 39.000 0.082 0.000 1.432 268 F HN -0.270 nan 8.300 nan 0.000 0.502 269 S N -0.422 115.402 115.700 0.206 0.000 2.617 269 S HA 0.104 4.575 4.470 0.001 0.000 0.259 269 S C 0.900 175.556 174.600 0.093 0.000 1.301 269 S CA -0.411 57.839 58.200 0.083 0.000 0.984 269 S CB 0.850 64.071 63.200 0.035 0.000 0.954 269 S HN 0.585 nan 8.310 nan 0.000 0.572 270 E N 0.435 120.667 120.200 0.053 0.000 2.106 270 E HA -0.099 4.252 4.350 0.001 0.000 0.192 270 E C 1.975 178.620 176.600 0.075 0.000 0.984 270 E CA 1.490 57.922 56.400 0.054 0.000 0.806 270 E CB -0.265 29.451 29.700 0.026 0.000 0.750 270 E HN 0.842 nan 8.360 nan 0.000 0.458 271 E N -0.235 120.010 120.200 0.075 0.000 2.058 271 E HA -0.187 4.163 4.350 0.001 0.000 0.194 271 E C 1.892 178.600 176.600 0.179 0.000 0.997 271 E CA 1.501 57.968 56.400 0.111 0.000 0.801 271 E CB 0.107 29.882 29.700 0.126 0.000 0.746 271 E HN 0.118 nan 8.360 nan 0.000 0.450 272 V N 1.210 121.189 119.914 0.109 0.000 2.270 272 V HA -0.281 3.840 4.120 0.001 0.000 0.245 272 V C 2.413 178.636 176.094 0.215 0.000 1.043 272 V CA 2.163 64.488 62.300 0.043 0.000 1.014 272 V CB -0.663 31.089 31.823 -0.120 0.000 0.645 272 V HN 0.333 nan 8.190 nan 0.000 0.447 273 Q N 0.081 120.056 119.800 0.293 0.000 2.181 273 Q HA -0.194 4.146 4.340 0.001 0.000 0.205 273 Q C 2.384 178.527 176.000 0.239 0.000 0.980 273 Q CA 1.654 57.669 55.803 0.353 0.000 0.862 273 Q CB -0.494 28.373 28.738 0.216 0.000 0.905 273 Q HN 0.681 nan 8.270 nan 0.000 0.429 274 A N 0.877 123.776 122.820 0.131 0.000 1.883 274 A HA -0.262 4.058 4.320 0.001 0.000 0.217 274 A C 1.548 179.119 177.584 -0.022 0.000 1.186 274 A CA 1.919 53.973 52.037 0.028 0.000 0.624 274 A CB -0.787 18.188 19.000 -0.042 0.000 0.822 274 A HN 0.393 nan 8.150 nan 0.000 0.444 275 H N -1.860 117.191 119.070 -0.032 0.000 2.321 275 H HA -0.088 4.468 4.556 0.001 0.000 0.300 275 H C 1.752 177.003 175.328 -0.128 0.000 1.087 275 H CA 2.231 58.200 56.048 -0.130 0.000 1.319 275 H CB -0.385 29.194 29.762 -0.306 0.000 1.379 275 H HN 0.505 nan 8.280 nan 0.000 0.501 276 F N -0.232 119.779 119.950 0.101 0.000 2.154 276 F HA -0.199 4.328 4.527 0.001 0.000 0.301 276 F C 1.983 177.814 175.800 0.051 0.000 1.087 276 F CA 0.719 58.758 58.000 0.066 0.000 1.274 276 F CB -0.432 38.618 39.000 0.082 0.000 1.009 276 F HN 0.113 nan 8.300 nan 0.000 0.485 277 L N -0.444 120.906 121.223 0.212 0.000 2.056 277 L HA -0.156 4.185 4.340 0.001 0.000 0.207 277 L C 2.159 179.074 176.870 0.075 0.000 1.078 277 L CA 1.506 56.419 54.840 0.120 0.000 0.749 277 L CB -1.479 40.627 42.059 0.079 0.000 0.901 277 L HN 0.153 nan 8.230 nan 0.000 0.433 278 Q N 0.281 120.106 119.800 0.042 0.000 2.547 278 Q HA 0.073 4.414 4.340 0.001 0.000 0.217 278 Q C 1.410 177.436 176.000 0.043 0.000 0.978 278 Q CA 0.807 56.622 55.803 0.019 0.000 0.962 278 Q CB -0.711 28.015 28.738 -0.020 0.000 0.990 278 Q HN 0.600 nan 8.270 nan 0.000 0.538 279 G N 0.872 109.717 108.800 0.074 0.000 2.143 279 G HA2 -0.294 3.667 3.960 0.001 0.000 0.248 279 G HA3 -0.294 3.667 3.960 0.001 0.000 0.248 279 G C -0.089 174.855 174.900 0.074 0.000 0.991 279 G CA 0.417 45.568 45.100 0.085 0.000 0.689 279 G HN 0.360 nan 8.290 nan 0.000 0.522 280 K N -0.428 119.994 120.400 0.036 0.000 2.281 280 K HA 0.507 4.828 4.320 0.001 0.000 0.242 280 K C -0.650 175.795 176.600 -0.258 0.000 0.971 280 K CA -1.092 55.177 56.287 -0.030 0.000 0.834 280 K CB 1.165 33.691 32.500 0.043 0.000 1.181 280 K HN 0.023 nan 8.250 nan 0.000 0.435 281 N N 3.047 121.565 118.700 -0.304 0.000 2.699 281 N HA 0.139 4.879 4.740 0.001 0.000 0.232 281 N C -1.957 173.041 175.510 -0.855 0.000 1.027 281 N CA -2.195 50.568 53.050 -0.479 0.000 0.920 281 N CB 0.926 39.368 38.487 -0.075 0.000 1.148 281 N HN 0.320 nan 8.380 nan 0.000 0.509 282 P HA -0.054 nan 4.420 nan 0.000 0.236 282 P C 0.251 176.860 177.300 -1.152 0.000 1.172 282 P CA 0.622 62.621 63.100 -1.835 0.000 0.759 282 P CB -0.081 30.787 31.700 -1.386 0.000 0.843 283 F N -0.020 119.646 119.950 -0.473 0.000 2.664 283 F HA 0.272 4.800 4.527 0.001 0.000 0.303 283 F C 1.317 177.043 175.800 -0.123 0.000 1.092 283 F CA -0.090 57.808 58.000 -0.170 0.000 1.305 283 F CB 0.225 39.182 39.000 -0.071 0.000 1.054 283 F HN -0.262 nan 8.300 nan 0.000 0.565 284 R N 1.532 122.012 120.500 -0.034 0.000 2.547 284 R HA 0.251 4.591 4.340 0.001 0.000 0.280 284 R C -2.608 173.792 176.300 0.167 0.000 1.630 284 R CA -1.539 54.596 56.100 0.059 0.000 1.470 284 R CB 0.833 31.159 30.300 0.043 0.000 1.178 284 R HN -0.069 nan 8.270 nan 0.000 0.591 285 P HA 0.029 nan 4.420 nan 0.000 0.271 285 P C -0.296 177.039 177.300 0.058 0.000 1.244 285 P CA -0.313 62.886 63.100 0.165 0.000 0.793 285 P CB 0.689 32.438 31.700 0.081 0.000 0.984 286 A N 0.167 122.985 122.820 -0.004 0.000 2.524 286 A HA 0.410 4.730 4.320 0.001 0.000 0.250 286 A C 1.413 178.967 177.584 -0.051 0.000 1.078 286 A CA 0.625 52.644 52.037 -0.029 0.000 0.761 286 A CB -1.606 17.361 19.000 -0.055 0.000 1.012 286 A HN 0.925 nan 8.150 nan 0.000 0.500 287 G N 0.889 109.655 108.800 -0.056 0.000 2.143 287 G HA2 -0.114 3.847 3.960 0.001 0.000 0.248 287 G HA3 -0.114 3.847 3.960 0.001 0.000 0.248 287 G C 0.070 174.887 174.900 -0.138 0.000 0.991 287 G CA 0.315 45.356 45.100 -0.099 0.000 0.689 287 G HN 1.732 nan 8.290 nan 0.000 0.522 288 L N 0.181 121.354 121.223 -0.083 0.000 2.456 288 L HA 0.796 5.137 4.340 0.001 0.000 0.272 288 L C 0.047 176.868 176.870 -0.083 0.000 1.189 288 L CA -0.270 54.521 54.840 -0.081 0.000 0.846 288 L CB 1.204 43.251 42.059 -0.019 0.000 1.111 288 L HN 0.253 nan 8.230 nan 0.000 0.475 289 E N 2.634 122.783 120.200 -0.085 0.000 2.290 289 E HA 0.484 4.835 4.350 0.001 0.000 0.274 289 E C -1.731 174.903 176.600 0.056 0.000 0.889 289 E CA -0.510 55.882 56.400 -0.014 0.000 0.760 289 E CB 1.877 31.562 29.700 -0.025 0.000 1.206 289 E HN 0.388 nan 8.360 nan 0.000 0.419 290 V N 4.628 124.572 119.914 0.049 0.000 2.318 290 V HA 0.261 4.381 4.120 0.001 0.000 0.271 290 V C -0.304 175.817 176.094 0.044 0.000 1.030 290 V CA -0.857 61.469 62.300 0.043 0.000 0.844 290 V CB 1.226 33.057 31.823 0.014 0.000 1.015 290 V HN 0.558 nan 8.190 nan 0.000 0.460 291 V N 5.567 125.523 119.914 0.069 0.000 2.421 291 V HA 0.145 4.265 4.120 0.001 0.000 0.271 291 V C 1.345 177.433 176.094 -0.010 0.000 1.031 291 V CA -0.075 62.246 62.300 0.035 0.000 1.032 291 V CB 0.417 32.269 31.823 0.047 0.000 1.009 291 V HN 0.854 nan 8.190 nan 0.000 0.477 292 E N 3.128 123.269 120.200 -0.099 0.000 2.051 292 E HA -0.002 4.349 4.350 0.001 0.000 0.189 292 E C 0.618 177.198 176.600 -0.034 0.000 0.979 292 E CA 1.240 57.535 56.400 -0.174 0.000 0.803 292 E CB 0.158 29.575 29.700 -0.473 0.000 0.761 292 E HN 0.884 nan 8.360 nan 0.000 0.451 293 H N -1.396 117.674 119.070 -0.000 0.000 2.858 293 H HA 0.297 4.853 4.556 0.001 0.000 0.318 293 H C 1.118 176.425 175.328 -0.034 0.000 1.419 293 H CA -0.567 55.472 56.048 -0.014 0.000 1.373 293 H CB 1.227 30.979 29.762 -0.016 0.000 1.915 293 H HN -0.210 nan 8.280 nan 0.000 0.704 294 T N 0.276 114.887 114.554 0.095 0.000 2.770 294 T HA -0.134 4.217 4.350 0.001 0.000 0.263 294 T C 1.457 176.125 174.700 -0.052 0.000 1.039 294 T CA 1.497 63.583 62.100 -0.024 0.000 1.142 294 T CB -0.217 68.612 68.868 -0.066 0.000 0.868 294 T HN 0.470 nan 8.240 nan 0.000 0.435 295 E N 1.899 122.089 120.200 -0.018 0.000 2.048 295 E HA -0.121 4.230 4.350 0.001 0.000 0.202 295 E C 2.421 178.991 176.600 -0.050 0.000 1.021 295 E CA 1.518 57.897 56.400 -0.035 0.000 0.825 295 E CB -0.750 28.947 29.700 -0.005 0.000 0.756 295 E HN 0.491 nan 8.360 nan 0.000 0.454 296 A N 0.357 123.160 122.820 -0.029 0.000 1.902 296 A HA -0.229 4.092 4.320 0.001 0.000 0.217 296 A C 2.335 179.864 177.584 -0.091 0.000 1.181 296 A CA 2.030 54.031 52.037 -0.060 0.000 0.623 296 A CB -0.922 18.049 19.000 -0.048 0.000 0.818 296 A HN 0.258 nan 8.150 nan 0.000 0.443 297 S N -0.545 115.116 115.700 -0.065 0.000 2.368 297 S HA -0.191 4.280 4.470 0.001 0.000 0.225 297 S C 2.041 176.554 174.600 -0.145 0.000 1.030 297 S CA 1.848 60.013 58.200 -0.058 0.000 0.999 297 S CB -0.293 62.890 63.200 -0.029 0.000 0.844 297 S HN 0.613 nan 8.310 nan 0.000 0.459 298 K N 0.697 120.990 120.400 -0.179 0.000 2.062 298 K HA 0.112 4.433 4.320 0.001 0.000 0.205 298 K C 2.449 178.952 176.600 -0.162 0.000 1.051 298 K CA 0.930 57.092 56.287 -0.208 0.000 0.941 298 K CB -0.428 31.954 32.500 -0.197 0.000 0.719 298 K HN 0.422 nan 8.250 nan 0.000 0.440 299 A N 1.769 124.511 122.820 -0.130 0.000 1.986 299 A HA -0.181 4.140 4.320 0.001 0.000 0.220 299 A C 2.075 179.586 177.584 -0.121 0.000 1.171 299 A CA 1.358 53.326 52.037 -0.116 0.000 0.640 299 A CB -0.748 18.195 19.000 -0.095 0.000 0.811 299 A HN 0.188 nan 8.150 nan 0.000 0.451 300 L N -0.285 120.859 121.223 -0.132 0.000 2.083 300 L HA -0.217 4.124 4.340 0.001 0.000 0.209 300 L C 2.157 179.006 176.870 -0.034 0.000 1.083 300 L CA 1.161 55.931 54.840 -0.116 0.000 0.752 300 L CB -0.739 41.271 42.059 -0.081 0.000 0.899 300 L HN 0.415 nan 8.230 nan 0.000 0.433 301 N N 0.526 119.191 118.700 -0.059 0.000 2.149 301 N HA -0.181 4.560 4.740 0.001 0.000 0.188 301 N C 1.892 177.355 175.510 -0.078 0.000 1.019 301 N CA 1.344 54.370 53.050 -0.040 0.000 0.857 301 N CB -0.230 38.172 38.487 -0.142 0.000 0.997 301 N HN 0.444 nan 8.380 nan 0.000 0.426 302 R N 0.644 121.072 120.500 -0.120 0.000 2.090 302 R HA 0.249 4.589 4.340 0.001 0.000 0.219 302 R C 0.885 177.154 176.300 -0.051 0.000 1.100 302 R CA 0.330 56.370 56.100 -0.101 0.000 0.991 302 R CB -0.114 30.115 30.300 -0.118 0.000 0.893 302 R HN 0.067 nan 8.270 nan 0.000 0.443 303 A N 3.558 126.351 122.820 -0.046 0.000 2.531 303 A HA 0.165 4.486 4.320 0.001 0.000 0.236 303 A C -1.970 175.614 177.584 0.000 0.000 1.062 303 A CA -0.974 51.050 52.037 -0.021 0.000 0.760 303 A CB -0.213 18.773 19.000 -0.023 0.000 0.995 303 A HN 0.057 nan 8.150 nan 0.000 0.501 304 P HA 0.295 nan 4.420 nan 0.000 0.276 304 P C 0.515 177.833 177.300 0.030 0.000 1.261 304 P CA 0.067 63.176 63.100 0.016 0.000 0.800 304 P CB 0.680 32.387 31.700 0.011 0.000 1.066 305 G N 0.413 109.229 108.800 0.026 0.000 2.535 305 G HA2 0.419 4.380 3.960 0.001 0.000 0.282 305 G HA3 0.419 4.380 3.960 0.001 0.000 0.282 305 G C -2.249 172.664 174.900 0.022 0.000 1.350 305 G CA -1.061 44.057 45.100 0.030 0.000 1.039 305 G HN 0.459 nan 8.290 nan 0.000 0.509 306 P HA 0.379 nan 4.420 nan 0.000 0.288 306 P C -0.619 176.694 177.300 0.021 0.000 1.267 306 P CA -0.061 63.042 63.100 0.004 0.000 0.815 306 P CB 1.510 33.200 31.700 -0.017 0.000 0.989 307 M N 0.701 120.319 119.600 0.029 0.000 2.813 307 M HA 0.677 5.157 4.480 0.001 0.000 0.270 307 M C -1.787 174.525 176.300 0.021 0.000 1.267 307 M CA -1.145 54.192 55.300 0.061 0.000 0.822 307 M CB 2.029 34.750 32.600 0.202 0.000 1.671 307 M HN -0.090 nan 8.290 nan 0.000 0.468 308 V N 1.749 121.675 119.914 0.021 0.000 2.482 308 V HA 0.653 4.773 4.120 0.001 0.000 0.295 308 V C -0.981 175.128 176.094 0.025 0.000 1.026 308 V CA -0.589 61.703 62.300 -0.013 0.000 0.856 308 V CB 1.912 33.709 31.823 -0.044 0.000 1.001 308 V HN 0.704 nan 8.190 nan 0.000 0.424 309 V N 6.420 126.322 119.914 -0.021 0.000 2.555 309 V HA 0.612 4.732 4.120 0.001 0.000 0.302 309 V C -0.746 175.288 176.094 -0.099 0.000 1.038 309 V CA -0.671 61.586 62.300 -0.073 0.000 0.887 309 V CB 1.961 33.633 31.823 -0.252 0.000 0.991 309 V HN 0.605 nan 8.190 nan 0.000 0.434 310 L N 3.976 125.152 121.223 -0.079 0.000 2.381 310 L HA 0.944 5.285 4.340 0.001 0.000 0.274 310 L C -0.046 176.791 176.870 -0.055 0.000 0.988 310 L CA 0.050 54.856 54.840 -0.056 0.000 0.824 310 L CB 1.757 43.803 42.059 -0.022 0.000 1.263 310 L HN 0.904 nan 8.230 nan 0.000 0.410 311 A N 1.707 124.502 122.820 -0.042 0.000 2.608 311 A HA 0.890 5.211 4.320 0.001 0.000 0.292 311 A C -0.640 176.958 177.584 0.024 0.000 1.066 311 A CA -0.029 52.014 52.037 0.010 0.000 0.676 311 A CB 1.146 20.173 19.000 0.044 0.000 1.277 311 A HN 0.739 nan 8.150 nan 0.000 0.413 312 G N -0.433 108.399 108.800 0.054 0.000 2.705 312 G HA2 0.584 4.544 3.960 0.001 0.000 0.299 312 G HA3 0.584 4.544 3.960 0.001 0.000 0.299 312 G C 0.315 175.266 174.900 0.086 0.000 1.315 312 G CA 0.280 45.411 45.100 0.052 0.000 1.045 312 G HN 1.587 nan 8.290 nan 0.000 0.517 313 S N -1.372 114.381 115.700 0.088 0.000 2.566 313 S HA 0.256 4.726 4.470 0.001 0.000 0.280 313 S C 1.872 176.482 174.600 0.016 0.000 1.343 313 S CA 0.537 58.791 58.200 0.090 0.000 1.036 313 S CB 0.601 63.865 63.200 0.107 0.000 0.866 313 S HN 1.079 nan 8.310 nan 0.000 0.526 314 G N 2.986 111.758 108.800 -0.046 0.000 2.448 314 G HA2 -0.089 3.872 3.960 0.001 0.000 0.219 314 G HA3 -0.089 3.872 3.960 0.001 0.000 0.219 314 G C 0.854 175.532 174.900 -0.371 0.000 1.127 314 G CA 0.562 45.330 45.100 -0.554 0.000 0.766 314 G HN 0.711 nan 8.290 nan 0.000 0.552 315 M N 0.501 120.076 119.600 -0.042 0.000 2.778 315 M HA 0.394 4.875 4.480 0.001 0.000 0.359 315 M C 0.238 176.564 176.300 0.043 0.000 1.216 315 M CA -0.207 55.104 55.300 0.019 0.000 0.935 315 M CB 0.531 33.202 32.600 0.117 0.000 1.330 315 M HN 0.011 nan 8.290 nan 0.000 0.516 316 L N -0.908 120.352 121.223 0.061 0.000 3.976 316 L HA -0.339 4.002 4.340 0.001 0.000 0.418 316 L C 1.523 178.428 176.870 0.057 0.000 1.177 316 L CA 0.388 55.273 54.840 0.074 0.000 0.968 316 L CB -2.147 39.971 42.059 0.098 0.000 1.933 316 L HN 0.565 nan 8.230 nan 0.000 0.976 317 A N -0.598 122.261 122.820 0.066 0.000 2.066 317 A HA 0.463 4.784 4.320 0.001 0.000 0.218 317 A C 1.348 178.966 177.584 0.057 0.000 1.157 317 A CA 1.685 53.759 52.037 0.062 0.000 0.670 317 A CB 0.026 19.075 19.000 0.082 0.000 0.804 317 A HN 0.933 nan 8.150 nan 0.000 0.453 318 G N -3.866 104.973 108.800 0.065 0.000 2.336 318 G HA2 0.556 4.517 3.960 0.001 0.000 0.286 318 G HA3 0.556 4.517 3.960 0.001 0.000 0.286 318 G C 0.269 175.221 174.900 0.086 0.000 1.269 318 G CA 0.238 45.377 45.100 0.064 0.000 0.873 318 G HN 1.943 nan 8.290 nan 0.000 0.494 319 G N -0.993 107.868 108.800 0.101 0.000 2.828 319 G HA2 -0.004 3.957 3.960 0.001 0.000 0.463 319 G HA3 -0.004 3.957 3.960 0.001 0.000 0.463 319 G C 0.773 175.778 174.900 0.176 0.000 1.394 319 G CA 0.780 45.954 45.100 0.124 0.000 0.862 319 G HN 1.156 nan 8.290 nan 0.000 0.540 320 R N -0.696 119.907 120.500 0.172 0.000 2.133 320 R HA -0.162 4.178 4.340 0.001 0.000 0.247 320 R C 2.713 179.193 176.300 0.299 0.000 1.151 320 R CA 2.084 58.305 56.100 0.201 0.000 0.971 320 R CB -0.393 30.011 30.300 0.174 0.000 0.866 320 R HN 0.635 nan 8.270 nan 0.000 0.447 321 I N 0.622 121.354 120.570 0.271 0.000 2.423 321 I HA -0.245 3.926 4.170 0.001 0.000 0.254 321 I C 1.523 177.751 176.117 0.185 0.000 1.151 321 I CA 1.466 62.922 61.300 0.259 0.000 1.421 321 I CB 0.012 38.089 38.000 0.128 0.000 1.079 321 I HN 0.166 nan 8.210 nan 0.000 0.431 322 L N -0.772 120.522 121.223 0.120 0.000 2.072 322 L HA -0.197 4.143 4.340 0.001 0.000 0.205 322 L C 2.595 179.427 176.870 -0.063 0.000 1.079 322 L CA 1.141 55.986 54.840 0.008 0.000 0.752 322 L CB -1.100 40.929 42.059 -0.051 0.000 0.906 322 L HN 0.348 nan 8.230 nan 0.000 0.436 323 H N -0.629 118.418 119.070 -0.037 0.000 2.267 323 H HA -0.171 4.386 4.556 0.001 0.000 0.297 323 H C 2.346 177.640 175.328 -0.057 0.000 1.080 323 H CA 1.748 57.752 56.048 -0.073 0.000 1.278 323 H CB -0.318 29.360 29.762 -0.140 0.000 1.365 323 H HN 0.429 nan 8.280 nan 0.000 0.489 324 H N 0.119 119.299 119.070 0.182 0.000 2.394 324 H HA -0.138 4.419 4.556 0.001 0.000 0.297 324 H C 2.466 177.826 175.328 0.053 0.000 1.113 324 H CA 0.890 57.003 56.048 0.108 0.000 1.277 324 H CB -0.225 29.573 29.762 0.060 0.000 1.370 324 H HN 0.159 nan 8.280 nan 0.000 0.506 325 L N 1.248 122.541 121.223 0.117 0.000 1.988 325 L HA -0.138 4.203 4.340 0.001 0.000 0.207 325 L C 2.646 179.488 176.870 -0.046 0.000 1.071 325 L CA 1.613 56.469 54.840 0.026 0.000 0.744 325 L CB -0.867 41.197 42.059 0.010 0.000 0.893 325 L HN 0.120 nan 8.230 nan 0.000 0.433 326 K N -1.233 119.082 120.400 -0.141 0.000 2.059 326 K HA -0.238 4.083 4.320 0.001 0.000 0.212 326 K C 1.732 178.116 176.600 -0.360 0.000 1.050 326 K CA 1.856 57.959 56.287 -0.307 0.000 0.927 326 K CB -0.151 32.050 32.500 -0.497 0.000 0.714 326 K HN 0.494 nan 8.250 nan 0.000 0.447 327 H N -2.246 116.821 119.070 -0.004 0.000 2.539 327 H HA 0.126 4.683 4.556 0.001 0.000 0.269 327 H C 1.457 176.793 175.328 0.014 0.000 0.980 327 H CA 0.841 56.891 56.048 0.004 0.000 1.152 327 H CB 0.978 30.742 29.762 0.004 0.000 1.407 327 H HN 0.443 nan 8.280 nan 0.000 0.564 328 G N -0.020 108.830 108.800 0.083 0.000 2.759 328 G HA2 -0.003 3.958 3.960 0.001 0.000 0.208 328 G HA3 -0.003 3.958 3.960 0.001 0.000 0.208 328 G C 1.309 176.222 174.900 0.021 0.000 1.076 328 G CA -0.130 45.008 45.100 0.063 0.000 0.789 328 G HN 0.083 nan 8.290 nan 0.000 0.546 329 L N 2.389 123.612 121.223 0.000 0.000 2.395 329 L HA 0.084 4.425 4.340 0.001 0.000 0.218 329 L C 2.702 179.566 176.870 -0.009 0.000 1.130 329 L CA 1.512 56.344 54.840 -0.013 0.000 0.826 329 L CB -0.300 41.745 42.059 -0.024 0.000 0.941 329 L HN 0.327 nan 8.230 nan 0.000 0.451 330 S N -2.598 113.100 115.700 -0.003 0.000 2.562 330 S HA 0.021 4.492 4.470 0.001 0.000 0.221 330 S C 0.722 175.325 174.600 0.006 0.000 0.975 330 S CA -0.239 57.961 58.200 -0.000 0.000 0.918 330 S CB -0.115 63.087 63.200 0.002 0.000 0.772 330 S HN 0.346 nan 8.310 nan 0.000 0.531 331 D N 2.424 122.829 120.400 0.009 0.000 2.349 331 D HA 0.299 4.940 4.640 0.001 0.000 0.232 331 D C -1.924 174.378 176.300 0.004 0.000 1.071 331 D CA -2.389 51.617 54.000 0.009 0.000 0.832 331 D CB 2.097 42.906 40.800 0.015 0.000 1.086 331 D HN -0.027 nan 8.370 nan 0.000 0.504 332 P HA -0.051 nan 4.420 nan 0.000 0.231 332 P C 0.955 178.256 177.300 0.002 0.000 1.158 332 P CA 0.371 63.471 63.100 -0.001 0.000 0.763 332 P CB 0.465 32.164 31.700 -0.002 0.000 0.805 333 R N -1.010 119.491 120.500 0.002 0.000 2.240 333 R HA 0.073 4.414 4.340 0.001 0.000 0.203 333 R C 0.723 177.022 176.300 -0.002 0.000 1.011 333 R CA 0.214 56.313 56.100 -0.000 0.000 1.007 333 R CB -0.058 30.241 30.300 -0.001 0.000 0.911 333 R HN 0.281 nan 8.270 nan 0.000 0.468 334 N N 0.272 118.972 118.700 0.001 0.000 2.413 334 N HA 0.372 5.112 4.740 0.001 0.000 0.266 334 N C -0.821 174.692 175.510 0.005 0.000 1.238 334 N CA -0.124 52.924 53.050 -0.003 0.000 0.972 334 N CB 1.137 39.624 38.487 0.000 0.000 1.210 334 N HN 0.014 nan 8.380 nan 0.000 0.547 335 A N 0.291 123.109 122.820 -0.004 0.000 2.437 335 A HA 0.417 4.737 4.320 0.001 0.000 0.293 335 A C -1.141 176.435 177.584 -0.013 0.000 1.038 335 A CA -0.632 51.428 52.037 0.038 0.000 0.708 335 A CB 0.893 19.924 19.000 0.052 0.000 1.251 335 A HN 0.564 nan 8.150 nan 0.000 0.409 336 L N 3.272 124.477 121.223 -0.031 0.000 2.292 336 L HA 0.683 5.024 4.340 0.001 0.000 0.284 336 L C -1.219 175.555 176.870 -0.160 0.000 1.065 336 L CA -0.544 54.186 54.840 -0.183 0.000 0.806 336 L CB 1.377 43.254 42.059 -0.303 0.000 1.175 336 L HN 0.475 nan 8.230 nan 0.000 0.431 337 V N 5.540 125.320 119.914 -0.224 0.000 2.380 337 V HA 0.290 4.410 4.120 0.001 0.000 0.286 337 V C -0.530 175.512 176.094 -0.087 0.000 1.015 337 V CA -0.491 61.758 62.300 -0.085 0.000 0.834 337 V CB 1.348 33.143 31.823 -0.046 0.000 1.009 337 V HN 0.443 nan 8.190 nan 0.000 0.428 338 F N 4.474 124.505 119.950 0.134 0.000 2.424 338 F HA 0.351 4.879 4.527 0.001 0.000 0.356 338 F C 0.968 176.867 175.800 0.166 0.000 1.110 338 F CA -0.440 57.625 58.000 0.108 0.000 1.161 338 F CB 1.634 40.691 39.000 0.094 0.000 1.115 338 F HN 0.392 nan 8.300 nan 0.000 0.507 339 V N 0.811 120.918 119.914 0.321 0.000 3.176 339 V HA 0.685 4.806 4.120 0.001 0.000 0.332 339 V C 0.471 176.740 176.094 0.292 0.000 1.414 339 V CA 0.297 62.774 62.300 0.295 0.000 1.133 339 V CB -0.166 31.660 31.823 0.006 0.000 1.088 339 V HN 0.706 nan 8.190 nan 0.000 0.473 340 G N -0.782 108.188 108.800 0.283 0.000 2.949 340 G HA2 0.527 4.488 3.960 0.001 0.000 0.285 340 G HA3 0.527 4.488 3.960 0.001 0.000 0.285 340 G C -1.902 173.200 174.900 0.337 0.000 1.395 340 G CA -1.085 44.207 45.100 0.321 0.000 0.901 340 G HN 0.242 nan 8.290 nan 0.000 0.519 341 Y N 0.805 121.289 120.300 0.307 0.000 2.316 341 Y HA 0.495 5.045 4.550 0.001 0.000 0.331 341 Y C -0.121 175.849 175.900 0.116 0.000 1.083 341 Y CA -0.600 57.651 58.100 0.253 0.000 1.206 341 Y CB 1.145 39.837 38.460 0.385 0.000 1.195 341 Y HN 0.177 nan 8.280 nan 0.000 0.497 342 Q N 8.716 128.165 119.800 -0.586 0.000 2.347 342 Q HA 0.313 4.654 4.340 0.001 0.000 0.262 342 Q C -2.276 173.226 176.000 -0.830 0.000 0.980 342 Q CA -2.194 53.249 55.803 -0.600 0.000 0.867 342 Q CB 1.377 29.721 28.738 -0.657 0.000 1.242 342 Q HN 0.595 nan 8.270 nan 0.000 0.453 343 P HA -0.067 nan 4.420 nan 0.000 0.272 343 P C -0.328 176.815 177.300 -0.261 0.000 1.248 343 P CA -0.245 62.632 63.100 -0.371 0.000 0.799 343 P CB 0.793 32.437 31.700 -0.092 0.000 0.997 344 Q N -0.301 119.425 119.800 -0.124 0.000 2.259 344 Q HA 0.453 4.794 4.340 0.001 0.000 0.249 344 Q C 0.700 176.670 176.000 -0.050 0.000 0.914 344 Q CA 0.792 56.550 55.803 -0.075 0.000 0.904 344 Q CB -0.180 28.548 28.738 -0.018 0.000 1.213 344 Q HN 0.823 nan 8.270 nan 0.000 0.428 345 G N 2.145 110.918 108.800 -0.046 0.000 2.289 345 G HA2 -0.034 3.926 3.960 0.001 0.000 0.280 345 G HA3 -0.034 3.926 3.960 0.001 0.000 0.280 345 G C 0.041 174.923 174.900 -0.030 0.000 1.089 345 G CA 0.139 45.221 45.100 -0.029 0.000 0.939 345 G HN 0.905 nan 8.290 nan 0.000 0.499 346 G N -1.737 107.035 108.800 -0.046 0.000 2.725 346 G HA2 0.689 4.650 3.960 0.001 0.000 0.288 346 G HA3 0.689 4.650 3.960 0.001 0.000 0.288 346 G C 0.731 175.612 174.900 -0.032 0.000 1.399 346 G CA -0.047 45.031 45.100 -0.037 0.000 0.859 346 G HN 0.977 nan 8.290 nan 0.000 0.479 347 L N 1.036 122.253 121.223 -0.011 0.000 2.187 347 L HA 0.078 4.419 4.340 0.001 0.000 0.213 347 L C 2.472 179.357 176.870 0.024 0.000 1.100 347 L CA 3.001 57.849 54.840 0.012 0.000 0.765 347 L CB -0.781 41.294 42.059 0.026 0.000 0.904 347 L HN 0.667 nan 8.230 nan 0.000 0.437 348 G N -0.921 107.860 108.800 -0.032 0.000 2.511 348 G HA2 -0.273 3.688 3.960 0.001 0.000 0.216 348 G HA3 -0.273 3.688 3.960 0.001 0.000 0.216 348 G C 1.601 176.409 174.900 -0.153 0.000 1.218 348 G CA 1.074 46.088 45.100 -0.144 0.000 0.788 348 G HN 0.623 nan 8.290 nan 0.000 0.560 349 A N 0.663 123.390 122.820 -0.156 0.000 1.865 349 A HA -0.110 4.211 4.320 0.001 0.000 0.217 349 A C 2.156 179.718 177.584 -0.037 0.000 1.191 349 A CA 2.266 54.238 52.037 -0.109 0.000 0.623 349 A CB -0.768 18.174 19.000 -0.097 0.000 0.826 349 A HN 0.530 nan 8.150 nan 0.000 0.444 350 E N -0.188 119.999 120.200 -0.021 0.000 2.068 350 E HA -0.260 4.090 4.350 0.001 0.000 0.207 350 E C 1.873 178.487 176.600 0.022 0.000 1.032 350 E CA 2.010 58.410 56.400 0.001 0.000 0.839 350 E CB -0.340 29.362 29.700 0.002 0.000 0.758 350 E HN 0.658 nan 8.360 nan 0.000 0.457 351 I N 0.771 121.373 120.570 0.052 0.000 2.208 351 I HA -0.304 3.866 4.170 0.001 0.000 0.245 351 I C 2.465 178.633 176.117 0.085 0.000 1.097 351 I CA 1.097 62.446 61.300 0.081 0.000 1.363 351 I CB -0.317 37.776 38.000 0.154 0.000 1.051 351 I HN 0.266 nan 8.210 nan 0.000 0.413 352 I N 0.878 121.504 120.570 0.094 0.000 2.335 352 I HA -0.285 3.885 4.170 0.001 0.000 0.251 352 I C 2.700 178.839 176.117 0.037 0.000 1.129 352 I CA 1.236 62.583 61.300 0.078 0.000 1.402 352 I CB -0.495 37.525 38.000 0.033 0.000 1.069 352 I HN 0.206 nan 8.210 nan 0.000 0.424 353 A N 0.184 123.017 122.820 0.021 0.000 2.067 353 A HA -0.130 4.190 4.320 0.001 0.000 0.219 353 A C 1.551 179.143 177.584 0.012 0.000 1.158 353 A CA 0.556 52.600 52.037 0.013 0.000 0.661 353 A CB -0.311 18.693 19.000 0.006 0.000 0.801 353 A HN 0.505 nan 8.150 nan 0.000 0.452 354 R N -1.183 119.327 120.500 0.017 0.000 3.261 354 R HA -0.106 4.234 4.340 0.001 0.000 0.257 354 R C -2.259 174.043 176.300 0.004 0.000 1.014 354 R CA 0.450 56.556 56.100 0.010 0.000 0.681 354 R CB -1.750 28.552 30.300 0.002 0.000 1.155 354 R HN 0.503 nan 8.270 nan 0.000 0.424 355 P HA 0.083 nan 4.420 nan 0.000 0.275 355 P C -1.866 175.433 177.300 -0.002 0.000 1.270 355 P CA -0.915 62.185 63.100 0.001 0.000 0.791 355 P CB 0.319 32.020 31.700 0.000 0.000 1.089 356 P HA 0.001 nan 4.420 nan 0.000 0.221 356 P C 0.217 177.513 177.300 -0.007 0.000 1.150 356 P CA 1.300 64.397 63.100 -0.005 0.000 0.800 356 P CB 0.199 31.896 31.700 -0.005 0.000 0.787 357 A N -1.235 121.581 122.820 -0.007 0.000 2.605 357 A HA 0.564 4.885 4.320 0.001 0.000 0.294 357 A C -1.318 176.259 177.584 -0.011 0.000 1.062 357 A CA -0.506 51.524 52.037 -0.011 0.000 0.682 357 A CB 1.503 20.495 19.000 -0.014 0.000 1.278 357 A HN -0.157 nan 8.150 nan 0.000 0.410 358 V N 0.614 120.519 119.914 -0.016 0.000 2.769 358 V HA 0.644 4.765 4.120 0.001 0.000 0.312 358 V C 0.267 176.344 176.094 -0.027 0.000 1.061 358 V CA -0.858 61.433 62.300 -0.015 0.000 0.931 358 V CB 1.831 33.649 31.823 -0.008 0.000 1.010 358 V HN 0.944 nan 8.190 nan 0.000 0.433 359 R N 2.777 123.262 120.500 -0.026 0.000 2.221 359 R HA 0.697 5.037 4.340 0.001 0.000 0.327 359 R C -1.401 174.871 176.300 -0.046 0.000 1.033 359 R CA -0.306 55.773 56.100 -0.036 0.000 0.887 359 R CB 0.594 30.877 30.300 -0.028 0.000 1.057 359 R HN 0.745 nan 8.270 nan 0.000 0.455 360 I N 5.716 126.244 120.570 -0.070 0.000 2.533 360 I HA 0.172 4.343 4.170 0.001 0.000 0.290 360 I C 0.068 176.114 176.117 -0.119 0.000 1.056 360 I CA -0.961 60.283 61.300 -0.093 0.000 1.057 360 I CB 1.993 39.924 38.000 -0.115 0.000 1.240 360 I HN 0.698 nan 8.210 nan 0.000 0.423 361 L N 6.554 127.707 121.223 -0.116 0.000 3.895 361 L HA -0.236 4.105 4.340 0.001 0.000 0.511 361 L C 1.091 177.911 176.870 -0.084 0.000 1.222 361 L CA 0.778 55.546 54.840 -0.120 0.000 0.739 361 L CB -1.721 40.211 42.059 -0.211 0.000 1.425 361 L HN 1.140 nan 8.230 nan 0.000 0.817 362 G N 0.274 109.039 108.800 -0.058 0.000 2.395 362 G HA2 -0.184 3.776 3.960 0.001 0.000 0.300 362 G HA3 -0.184 3.776 3.960 0.001 0.000 0.300 362 G C 0.005 174.880 174.900 -0.042 0.000 0.998 362 G CA 0.906 45.982 45.100 -0.041 0.000 1.046 362 G HN 0.704 nan 8.290 nan 0.000 0.513 363 E N -1.048 119.121 120.200 -0.053 0.000 2.343 363 E HA 0.466 4.817 4.350 0.001 0.000 0.286 363 E C -0.607 175.961 176.600 -0.053 0.000 0.915 363 E CA -0.739 55.630 56.400 -0.051 0.000 0.784 363 E CB 0.971 30.630 29.700 -0.069 0.000 1.251 363 E HN 0.152 nan 8.360 nan 0.000 0.407 364 E N 1.850 122.027 120.200 -0.038 0.000 2.324 364 E HA 0.336 4.687 4.350 0.001 0.000 0.271 364 E C -1.224 175.353 176.600 -0.039 0.000 1.028 364 E CA -0.108 56.272 56.400 -0.034 0.000 0.890 364 E CB 1.218 30.905 29.700 -0.022 0.000 1.004 364 E HN 0.238 nan 8.360 nan 0.000 0.431 365 V N 6.137 126.024 119.914 -0.044 0.000 2.443 365 V HA 0.558 4.679 4.120 0.001 0.000 0.293 365 V C -2.623 173.452 176.094 -0.032 0.000 1.021 365 V CA -2.682 59.589 62.300 -0.047 0.000 0.848 365 V CB 1.800 33.576 31.823 -0.078 0.000 0.998 365 V HN 0.601 nan 8.190 nan 0.000 0.424 366 P HA 0.131 nan 4.420 nan 0.000 0.265 366 P C -0.866 176.425 177.300 -0.015 0.000 1.193 366 P CA 0.007 63.098 63.100 -0.015 0.000 0.765 366 P CB 0.441 32.135 31.700 -0.010 0.000 0.823 367 L N 4.873 126.089 121.223 -0.013 0.000 2.287 367 L HA 0.314 4.654 4.340 0.001 0.000 0.280 367 L C 0.697 177.559 176.870 -0.012 0.000 1.055 367 L CA 0.401 55.234 54.840 -0.012 0.000 0.863 367 L CB 0.029 42.083 42.059 -0.009 0.000 1.245 367 L HN 0.261 nan 8.230 nan 0.000 0.432 368 R N 3.176 123.668 120.500 -0.012 0.000 2.369 368 R HA 0.461 4.801 4.340 0.001 0.000 0.210 368 R C 0.761 177.052 176.300 -0.014 0.000 0.881 368 R CA 0.210 56.303 56.100 -0.011 0.000 1.031 368 R CB 0.295 30.592 30.300 -0.006 0.000 1.184 368 R HN 0.659 nan 8.270 nan 0.000 0.581 369 A N 1.905 124.716 122.820 -0.015 0.000 2.507 369 A HA 0.170 4.490 4.320 0.001 0.000 0.235 369 A C 0.444 178.009 177.584 -0.032 0.000 1.070 369 A CA -0.031 51.996 52.037 -0.016 0.000 0.768 369 A CB 0.226 19.215 19.000 -0.018 0.000 1.011 369 A HN 0.337 nan 8.150 nan 0.000 0.502 370 S N 0.399 116.086 115.700 -0.023 0.000 2.565 370 S HA 0.562 5.033 4.470 0.001 0.000 0.274 370 S C -0.291 174.215 174.600 -0.158 0.000 1.309 370 S CA -0.656 57.492 58.200 -0.086 0.000 1.043 370 S CB 1.054 64.251 63.200 -0.005 0.000 0.939 370 S HN 0.793 nan 8.310 nan 0.000 0.504 371 V N 3.999 123.723 119.914 -0.317 0.000 2.628 371 V HA 0.554 4.675 4.120 0.001 0.000 0.306 371 V C -0.344 175.453 176.094 -0.495 0.000 1.045 371 V CA -0.674 61.474 62.300 -0.255 0.000 0.905 371 V CB 1.481 33.255 31.823 -0.081 0.000 0.997 371 V HN 0.989 nan 8.190 nan 0.000 0.436 372 H N 1.308 120.392 119.070 0.023 0.000 2.895 372 H HA 0.549 5.105 4.556 0.001 0.000 0.373 372 H C -1.126 174.323 175.328 0.201 0.000 1.174 372 H CA -0.604 55.498 56.048 0.089 0.000 1.144 372 H CB 2.582 32.373 29.762 0.048 0.000 1.793 372 H HN 0.522 nan 8.280 nan 0.000 0.551 373 T N 3.272 118.030 114.554 0.340 0.000 2.840 373 T HA 0.356 4.706 4.350 0.001 0.000 0.287 373 T C 0.077 174.952 174.700 0.292 0.000 0.991 373 T CA -0.684 61.629 62.100 0.354 0.000 0.964 373 T CB 0.494 69.525 68.868 0.271 0.000 0.954 373 T HN 0.282 nan 8.240 nan 0.000 0.438 374 L N 3.053 124.472 121.223 0.328 0.000 2.408 374 L HA 0.416 4.757 4.340 0.001 0.000 0.257 374 L C 1.615 178.640 176.870 0.260 0.000 1.053 374 L CA -0.845 54.160 54.840 0.275 0.000 0.922 374 L CB 0.886 43.170 42.059 0.375 0.000 1.261 374 L HN 0.859 nan 8.230 nan 0.000 0.458 375 G N 1.101 110.017 108.800 0.195 0.000 2.509 375 G HA2 -0.148 3.812 3.960 0.001 0.000 0.218 375 G HA3 -0.148 3.812 3.960 0.001 0.000 0.218 375 G C 1.424 176.331 174.900 0.012 0.000 1.124 375 G CA 0.767 45.965 45.100 0.163 0.000 0.776 375 G HN 0.731 nan 8.290 nan 0.000 0.547 376 G N 0.810 109.589 108.800 -0.035 0.000 2.550 376 G HA2 -0.250 3.710 3.960 0.001 0.000 0.222 376 G HA3 -0.250 3.710 3.960 0.001 0.000 0.222 376 G C 1.176 175.975 174.900 -0.169 0.000 1.113 376 G CA 0.401 45.395 45.100 -0.177 0.000 0.748 376 G HN 0.445 nan 8.290 nan 0.000 0.585 377 F N 1.319 121.290 119.950 0.034 0.000 2.695 377 F HA 0.317 4.845 4.527 0.001 0.000 0.301 377 F C 1.571 177.395 175.800 0.040 0.000 1.182 377 F CA -0.299 57.757 58.000 0.094 0.000 1.412 377 F CB 0.148 39.189 39.000 0.069 0.000 1.056 377 F HN -0.015 nan 8.300 nan 0.000 0.522 378 S N 0.292 115.983 115.700 -0.016 0.000 2.549 378 S HA 0.276 4.746 4.470 0.001 0.000 0.279 378 S C 1.336 175.906 174.600 -0.050 0.000 1.321 378 S CA -0.174 57.954 58.200 -0.120 0.000 1.054 378 S CB 0.972 63.744 63.200 -0.714 0.000 0.899 378 S HN 0.441 nan 8.310 nan 0.000 0.497 379 G N 3.688 112.530 108.800 0.069 0.000 3.181 379 G HA2 0.146 4.107 3.960 0.001 0.000 0.219 379 G HA3 0.146 4.107 3.960 0.001 0.000 0.219 379 G C 0.261 175.142 174.900 -0.032 0.000 1.182 379 G CA -0.082 45.012 45.100 -0.010 0.000 0.791 379 G HN 0.790 nan 8.290 nan 0.000 0.537 380 H N 0.152 119.290 119.070 0.113 0.000 2.495 380 H HA 0.510 5.067 4.556 0.001 0.000 0.348 380 H C 0.141 175.528 175.328 0.098 0.000 1.113 380 H CA -0.727 55.391 56.048 0.117 0.000 1.195 380 H CB 1.948 31.830 29.762 0.200 0.000 1.521 380 H HN 0.156 nan 8.280 nan 0.000 0.509 381 A N 2.622 125.529 122.820 0.145 0.000 2.561 381 A HA 0.267 4.588 4.320 0.001 0.000 0.234 381 A C 1.190 178.818 177.584 0.074 0.000 1.055 381 A CA 0.568 52.659 52.037 0.090 0.000 0.756 381 A CB -0.077 18.913 19.000 -0.016 0.000 0.986 381 A HN 0.825 nan 8.150 nan 0.000 0.505 382 G N -0.436 108.351 108.800 -0.021 0.000 2.447 382 G HA2 0.251 4.212 3.960 0.001 0.000 0.269 382 G HA3 0.251 4.212 3.960 0.001 0.000 0.269 382 G C 0.764 175.585 174.900 -0.132 0.000 1.455 382 G CA 0.531 45.410 45.100 -0.368 0.000 1.061 382 G HN 0.930 nan 8.290 nan 0.000 0.545 383 Q N -0.905 118.826 119.800 -0.115 0.000 2.134 383 Q HA -0.075 4.266 4.340 0.001 0.000 0.195 383 Q C 2.057 178.053 176.000 -0.007 0.000 0.958 383 Q CA 1.571 57.356 55.803 -0.031 0.000 0.840 383 Q CB -0.186 28.539 28.738 -0.022 0.000 0.918 383 Q HN 0.629 nan 8.270 nan 0.000 0.467 384 D N 0.843 121.236 120.400 -0.013 0.000 2.104 384 D HA -0.248 4.393 4.640 0.001 0.000 0.194 384 D C 1.437 177.753 176.300 0.027 0.000 0.994 384 D CA 1.745 55.751 54.000 0.010 0.000 0.830 384 D CB -0.573 40.233 40.800 0.009 0.000 0.959 384 D HN 0.499 nan 8.370 nan 0.000 0.452 385 E N -0.238 119.976 120.200 0.023 0.000 2.110 385 E HA -0.114 4.237 4.350 0.001 0.000 0.193 385 E C 2.120 178.759 176.600 0.065 0.000 0.988 385 E CA 0.341 56.768 56.400 0.044 0.000 0.804 385 E CB -0.135 29.585 29.700 0.035 0.000 0.745 385 E HN 0.130 nan 8.360 nan 0.000 0.458 386 L N 0.974 122.222 121.223 0.041 0.000 2.093 386 L HA -0.129 4.212 4.340 0.001 0.000 0.208 386 L C 1.991 178.925 176.870 0.107 0.000 1.085 386 L CA 1.428 56.300 54.840 0.053 0.000 0.755 386 L CB -0.380 41.694 42.059 0.024 0.000 0.904 386 L HN 0.143 nan 8.230 nan 0.000 0.435 387 L N -1.200 120.068 121.223 0.076 0.000 2.005 387 L HA -0.195 4.146 4.340 0.001 0.000 0.207 387 L C 2.254 179.176 176.870 0.087 0.000 1.072 387 L CA 1.213 56.096 54.840 0.072 0.000 0.744 387 L CB -0.750 41.334 42.059 0.042 0.000 0.895 387 L HN 0.208 nan 8.230 nan 0.000 0.433 388 D N -0.541 119.909 120.400 0.085 0.000 2.126 388 D HA -0.286 4.355 4.640 0.001 0.000 0.190 388 D C 1.689 178.056 176.300 0.111 0.000 1.001 388 D CA 1.458 55.506 54.000 0.080 0.000 0.841 388 D CB -0.397 40.450 40.800 0.078 0.000 0.949 388 D HN 0.393 nan 8.370 nan 0.000 0.446 389 W N 0.407 121.678 121.300 -0.048 0.000 2.350 389 W HA -0.128 4.533 4.660 0.001 0.000 0.289 389 W C 1.729 178.196 176.519 -0.087 0.000 1.215 389 W CA 0.714 58.011 57.345 -0.081 0.000 1.236 389 W CB -0.078 29.319 29.460 -0.105 0.000 1.130 389 W HN -0.059 nan 8.180 nan 0.000 0.541 390 L N 0.543 121.869 121.223 0.171 0.000 2.509 390 L HA 0.064 4.405 4.340 0.001 0.000 0.222 390 L C 1.420 178.270 176.870 -0.034 0.000 1.123 390 L CA 0.902 55.773 54.840 0.053 0.000 0.856 390 L CB -1.566 40.573 42.059 0.133 0.000 0.985 390 L HN -0.116 nan 8.230 nan 0.000 0.456 391 Q N 0.462 120.248 119.800 -0.025 0.000 2.304 391 Q HA 0.053 4.394 4.340 0.001 0.000 0.315 391 Q C 1.290 177.249 176.000 -0.068 0.000 1.075 391 Q CA 1.381 57.163 55.803 -0.034 0.000 0.988 391 Q CB 0.304 29.027 28.738 -0.024 0.000 1.146 391 Q HN 0.557 nan 8.270 nan 0.000 0.383 392 G N 4.006 112.776 108.800 -0.050 0.000 2.284 392 G HA2 -0.222 3.739 3.960 0.001 0.000 0.247 392 G HA3 -0.222 3.739 3.960 0.001 0.000 0.247 392 G C -0.198 174.665 174.900 -0.061 0.000 1.012 392 G CA 0.301 45.367 45.100 -0.056 0.000 0.618 392 G HN 0.620 nan 8.290 nan 0.000 0.521 393 E N 1.654 121.810 120.200 -0.074 0.000 2.344 393 E HA 0.240 4.591 4.350 0.001 0.000 0.270 393 E C -0.964 175.614 176.600 -0.037 0.000 1.021 393 E CA -1.024 55.335 56.400 -0.068 0.000 0.887 393 E CB 1.587 31.237 29.700 -0.084 0.000 0.997 393 E HN 0.342 nan 8.360 nan 0.000 0.429 394 P HA -0.077 nan 4.420 nan 0.000 0.220 394 P C -0.075 177.217 177.300 -0.013 0.000 1.152 394 P CA 0.937 64.026 63.100 -0.019 0.000 0.812 394 P CB 0.684 32.372 31.700 -0.019 0.000 0.792 395 R N -0.076 120.416 120.500 -0.012 0.000 2.451 395 R HA 0.545 4.885 4.340 0.001 0.000 0.307 395 R C -1.182 175.119 176.300 0.002 0.000 0.965 395 R CA -0.669 55.427 56.100 -0.006 0.000 0.865 395 R CB 2.597 32.892 30.300 -0.008 0.000 1.174 395 R HN -0.169 nan 8.270 nan 0.000 0.455 396 V N 3.606 123.526 119.914 0.009 0.000 2.448 396 V HA 0.376 4.496 4.120 0.001 0.000 0.295 396 V C -0.225 175.877 176.094 0.013 0.000 1.025 396 V CA -0.896 61.417 62.300 0.023 0.000 0.859 396 V CB 2.064 33.910 31.823 0.038 0.000 0.988 396 V HN 0.439 nan 8.190 nan 0.000 0.431 397 V N 6.055 125.974 119.914 0.008 0.000 2.293 397 V HA 0.347 4.468 4.120 0.001 0.000 0.275 397 V C -0.167 175.923 176.094 -0.006 0.000 1.021 397 V CA -0.565 61.728 62.300 -0.012 0.000 0.815 397 V CB 1.155 32.952 31.823 -0.042 0.000 1.025 397 V HN 0.561 nan 8.190 nan 0.000 0.448 398 L N 6.600 127.826 121.223 0.005 0.000 2.416 398 L HA 0.528 4.869 4.340 0.001 0.000 0.272 398 L C 0.325 177.204 176.870 0.015 0.000 1.161 398 L CA 0.701 55.551 54.840 0.016 0.000 0.845 398 L CB 1.104 43.174 42.059 0.017 0.000 1.119 398 L HN 0.616 nan 8.230 nan 0.000 0.464 399 V N -0.631 119.302 119.914 0.033 0.000 3.080 399 V HA 0.622 4.743 4.120 0.001 0.000 0.311 399 V C 0.086 176.223 176.094 0.070 0.000 1.389 399 V CA -1.383 60.952 62.300 0.058 0.000 1.049 399 V CB 1.612 33.477 31.823 0.070 0.000 1.078 399 V HN 0.287 nan 8.190 nan 0.000 0.468 400 V N 0.414 120.381 119.914 0.088 0.000 5.957 400 V HA 0.201 4.322 4.120 0.001 0.000 0.225 400 V C 0.632 176.732 176.094 0.010 0.000 0.661 400 V CA 1.437 63.773 62.300 0.061 0.000 0.571 400 V CB -2.035 29.852 31.823 0.107 0.000 0.361 400 V HN 2.196 nan 8.190 nan 0.000 0.495 401 G N 2.007 110.807 108.800 0.001 0.000 2.349 401 G HA2 0.568 4.528 3.960 0.001 0.000 0.294 401 G HA3 0.568 4.528 3.960 0.001 0.000 0.294 401 G C -1.332 173.557 174.900 -0.018 0.000 1.380 401 G CA -0.699 44.380 45.100 -0.035 0.000 0.811 401 G HN 0.407 nan 8.290 nan 0.000 0.519 402 E N 0.279 120.458 120.200 -0.036 0.000 2.216 402 E HA 0.285 4.636 4.350 0.001 0.000 0.279 402 E C 0.539 177.132 176.600 -0.013 0.000 0.997 402 E CA -0.585 55.804 56.400 -0.017 0.000 0.817 402 E CB 2.511 32.197 29.700 -0.024 0.000 1.096 402 E HN 0.583 nan 8.360 nan 0.000 0.393 403 E N 2.191 122.391 120.200 0.000 0.000 2.095 403 E HA -0.336 4.014 4.350 0.001 0.000 0.212 403 E C 1.336 177.934 176.600 -0.004 0.000 1.044 403 E CA 2.061 58.462 56.400 0.002 0.000 0.857 403 E CB 0.024 29.728 29.700 0.007 0.000 0.764 403 E HN 0.465 nan 8.360 nan 0.000 0.462 404 E N 0.825 121.022 120.200 -0.005 0.000 2.114 404 E HA -0.205 4.145 4.350 0.001 0.000 0.199 404 E C 1.928 178.519 176.600 -0.014 0.000 1.008 404 E CA 1.257 57.653 56.400 -0.006 0.000 0.810 404 E CB -0.096 29.601 29.700 -0.005 0.000 0.739 404 E HN 0.117 nan 8.360 nan 0.000 0.456 405 K N 0.068 120.451 120.400 -0.028 0.000 1.984 405 K HA -0.073 4.247 4.320 0.001 0.000 0.209 405 K C 2.059 178.643 176.600 -0.028 0.000 1.046 405 K CA 0.753 57.014 56.287 -0.045 0.000 0.934 405 K CB -0.584 31.864 32.500 -0.086 0.000 0.717 405 K HN 0.114 nan 8.250 nan 0.000 0.438 406 L N 1.274 122.484 121.223 -0.020 0.000 2.042 406 L HA -0.172 4.168 4.340 0.001 0.000 0.210 406 L C 2.339 179.208 176.870 -0.001 0.000 1.076 406 L CA 1.388 56.224 54.840 -0.007 0.000 0.749 406 L CB -1.107 40.952 42.059 0.001 0.000 0.893 406 L HN 0.118 nan 8.230 nan 0.000 0.432 407 L N -0.823 120.399 121.223 -0.001 0.000 2.141 407 L HA -0.105 4.236 4.340 0.001 0.000 0.209 407 L C 2.672 179.543 176.870 0.002 0.000 1.094 407 L CA 1.781 56.622 54.840 0.002 0.000 0.763 407 L CB -1.841 40.219 42.059 0.002 0.000 0.908 407 L HN 0.263 nan 8.230 nan 0.000 0.437 408 A N -0.493 122.326 122.820 -0.002 0.000 1.902 408 A HA -0.203 4.117 4.320 0.001 0.000 0.217 408 A C 2.383 179.969 177.584 0.003 0.000 1.181 408 A CA 1.540 53.577 52.037 -0.000 0.000 0.623 408 A CB -0.615 18.382 19.000 -0.005 0.000 0.818 408 A HN 0.367 nan 8.150 nan 0.000 0.443 409 L N -0.740 120.484 121.223 0.003 0.000 2.007 409 L HA -0.068 4.273 4.340 0.001 0.000 0.205 409 L C 2.649 179.526 176.870 0.011 0.000 1.073 409 L CA 1.676 56.522 54.840 0.009 0.000 0.744 409 L CB -1.061 41.005 42.059 0.011 0.000 0.898 409 L HN 0.449 nan 8.230 nan 0.000 0.435 410 G N 0.043 108.849 108.800 0.010 0.000 2.545 410 G HA2 -0.404 3.556 3.960 0.001 0.000 0.222 410 G HA3 -0.404 3.556 3.960 0.001 0.000 0.222 410 G C 1.644 176.550 174.900 0.009 0.000 1.126 410 G CA 1.366 46.472 45.100 0.010 0.000 0.754 410 G HN 0.411 nan 8.290 nan 0.000 0.583 411 K N -0.041 120.364 120.400 0.007 0.000 2.009 411 K HA 0.007 4.328 4.320 0.001 0.000 0.210 411 K C 2.585 179.189 176.600 0.008 0.000 1.049 411 K CA 1.154 57.445 56.287 0.007 0.000 0.929 411 K CB -0.336 32.168 32.500 0.006 0.000 0.714 411 K HN 0.351 nan 8.250 nan 0.000 0.440 412 L N 1.049 122.278 121.223 0.009 0.000 2.042 412 L HA -0.240 4.101 4.340 0.001 0.000 0.210 412 L C 2.497 179.374 176.870 0.011 0.000 1.076 412 L CA 1.187 56.033 54.840 0.011 0.000 0.749 412 L CB -0.422 41.644 42.059 0.012 0.000 0.893 412 L HN 0.287 nan 8.230 nan 0.000 0.432 413 L N -0.654 120.576 121.223 0.013 0.000 1.976 413 L HA -0.224 4.116 4.340 0.001 0.000 0.209 413 L C 2.915 179.790 176.870 0.008 0.000 1.071 413 L CA 1.342 56.190 54.840 0.013 0.000 0.746 413 L CB -0.824 41.245 42.059 0.017 0.000 0.890 413 L HN 0.256 nan 8.230 nan 0.000 0.432 414 A N 0.064 122.888 122.820 0.007 0.000 1.917 414 A HA -0.224 4.096 4.320 0.001 0.000 0.219 414 A C 2.250 179.836 177.584 0.004 0.000 1.182 414 A CA 1.731 53.770 52.037 0.005 0.000 0.633 414 A CB -0.845 18.158 19.000 0.004 0.000 0.819 414 A HN 0.377 nan 8.150 nan 0.000 0.448 415 L N -1.529 119.697 121.223 0.005 0.000 2.131 415 L HA -0.126 4.215 4.340 0.001 0.000 0.210 415 L C 2.708 179.580 176.870 0.004 0.000 1.092 415 L CA 1.469 56.312 54.840 0.004 0.000 0.759 415 L CB -0.281 41.781 42.059 0.006 0.000 0.903 415 L HN 0.350 nan 8.230 nan 0.000 0.435 416 R N -0.507 119.996 120.500 0.004 0.000 2.280 416 R HA -0.045 4.296 4.340 0.001 0.000 0.207 416 R C 1.281 177.581 176.300 0.000 0.000 1.043 416 R CA 0.835 56.937 56.100 0.003 0.000 1.006 416 R CB 0.083 30.386 30.300 0.005 0.000 0.885 416 R HN 0.470 nan 8.270 nan 0.000 0.467 417 G N -0.628 108.172 108.800 0.000 0.000 2.201 417 G HA2 -0.243 3.717 3.960 0.001 0.000 0.212 417 G HA3 -0.243 3.717 3.960 0.001 0.000 0.212 417 G C -0.259 174.640 174.900 -0.003 0.000 0.994 417 G CA -0.355 44.744 45.100 -0.002 0.000 0.644 417 G HN 0.364 nan 8.290 nan 0.000 0.508 418 Q N 0.804 120.603 119.800 -0.002 0.000 2.293 418 Q HA 0.476 4.817 4.340 0.001 0.000 0.251 418 Q C -0.218 175.782 176.000 -0.000 0.000 0.930 418 Q CA -0.168 55.634 55.803 -0.002 0.000 0.893 418 Q CB 1.040 29.778 28.738 0.000 0.000 1.215 418 Q HN 0.486 nan 8.270 nan 0.000 0.425 419 E N 1.588 121.787 120.200 -0.002 0.000 2.180 419 E HA 0.197 4.547 4.350 0.001 0.000 0.283 419 E C -1.014 175.586 176.600 0.000 0.000 1.061 419 E CA -0.213 56.186 56.400 -0.002 0.000 0.861 419 E CB 1.286 30.983 29.700 -0.004 0.000 1.056 419 E HN 0.203 nan 8.360 nan 0.000 0.407 420 V N 2.750 122.665 119.914 0.002 0.000 2.919 420 V HA 0.681 4.802 4.120 0.001 0.000 0.316 420 V C -0.653 175.442 176.094 0.002 0.000 1.077 420 V CA -0.204 62.099 62.300 0.005 0.000 0.977 420 V CB 2.005 33.833 31.823 0.009 0.000 1.039 420 V HN 0.829 nan 8.190 nan 0.000 0.441 421 S N 4.920 120.621 115.700 0.001 0.000 2.625 421 S HA 0.779 5.250 4.470 0.001 0.000 0.271 421 S C -1.750 172.850 174.600 -0.000 0.000 1.161 421 S CA -0.852 57.347 58.200 -0.002 0.000 0.820 421 S CB 1.568 64.763 63.200 -0.008 0.000 1.137 421 S HN 0.668 nan 8.310 nan 0.000 0.470 422 L N 1.747 122.971 121.223 0.001 0.000 2.325 422 L HA 0.794 5.135 4.340 0.001 0.000 0.281 422 L C 0.690 177.563 176.870 0.004 0.000 1.004 422 L CA -0.374 54.469 54.840 0.006 0.000 0.823 422 L CB 1.155 43.221 42.059 0.013 0.000 1.236 422 L HN 1.089 nan 8.230 nan 0.000 0.415 423 A N 4.411 127.231 122.820 -0.000 0.000 2.475 423 A HA 0.592 4.913 4.320 0.001 0.000 0.239 423 A C 0.142 177.741 177.584 0.024 0.000 1.087 423 A CA 0.050 52.082 52.037 -0.008 0.000 0.779 423 A CB 0.211 19.198 19.000 -0.022 0.000 1.036 423 A HN 0.723 nan 8.150 nan 0.000 0.506 424 R N -0.430 120.080 120.500 0.015 0.000 2.574 424 R HA 0.304 4.644 4.340 0.001 0.000 0.288 424 R C -1.171 175.169 176.300 0.067 0.000 1.004 424 R CA -0.586 55.551 56.100 0.061 0.000 0.895 424 R CB 1.607 31.933 30.300 0.042 0.000 1.191 424 R HN 0.680 nan 8.270 nan 0.000 0.444 425 F N 2.215 122.168 119.950 0.004 0.000 2.579 425 F HA -0.017 4.511 4.527 0.001 0.000 0.397 425 F C 1.467 177.240 175.800 -0.045 0.000 1.027 425 F CA 2.507 60.514 58.000 0.013 0.000 1.217 425 F CB 0.492 39.547 39.000 0.092 0.000 0.986 425 F HN 0.912 nan 8.300 nan 0.000 0.551 426 G N 3.688 112.058 108.800 -0.718 0.000 2.353 426 G HA2 -0.358 3.603 3.960 0.001 0.000 0.258 426 G HA3 -0.358 3.603 3.960 0.001 0.000 0.258 426 G C 0.378 175.076 174.900 -0.336 0.000 1.013 426 G CA 0.347 45.111 45.100 -0.561 0.000 0.622 426 G HN 0.660 nan 8.290 nan 0.000 0.535 427 E N 1.822 121.895 120.200 -0.212 0.000 2.029 427 E HA 0.444 4.795 4.350 0.001 0.000 0.276 427 E C 1.257 177.755 176.600 -0.171 0.000 1.163 427 E CA 0.069 56.390 56.400 -0.132 0.000 0.909 427 E CB 0.217 29.882 29.700 -0.058 0.000 1.046 427 E HN 0.474 nan 8.360 nan 0.000 0.406 428 G N 1.998 110.703 108.800 -0.158 0.000 2.614 428 G HA2 0.224 4.184 3.960 0.001 0.000 0.239 428 G HA3 0.224 4.184 3.960 0.001 0.000 0.239 428 G C -0.351 174.488 174.900 -0.102 0.000 1.240 428 G CA -0.345 44.668 45.100 -0.145 0.000 0.842 428 G HN 0.356 nan 8.290 nan 0.000 0.584 429 V N 3.633 123.489 119.914 -0.097 0.000 2.623 429 V HA 0.396 4.517 4.120 0.001 0.000 0.304 429 V C -2.110 173.949 176.094 -0.058 0.000 1.054 429 V CA -1.376 60.881 62.300 -0.072 0.000 0.882 429 V CB 2.518 34.294 31.823 -0.077 0.000 1.002 429 V HN 0.743 nan 8.190 nan 0.000 0.424 430 P HA 0.302 nan 4.420 nan 0.000 0.281 430 P C -0.298 176.986 177.300 -0.027 0.000 1.252 430 P CA 0.081 63.162 63.100 -0.031 0.000 0.778 430 P CB 1.797 33.482 31.700 -0.024 0.000 0.895 431 V N 0.000 119.901 119.914 -0.022 0.000 2.409 431 V HA 0.000 4.121 4.120 0.001 0.000 0.244 431 V CA 0.000 62.291 62.300 -0.014 0.000 1.235 431 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556