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 2dw6_1_B DATA FIRST_RESID 2 DATA SEQUENCE SVRIVDVREI TKPISSPIRN AYIDFTKMTT SLVAVVTDVV REGKRVVGYG DATA SEQUENCE FNSNGRYGQG GLIRERFASR ILEADPKKLL NEAGDNLDPD KVWAAMMINE DATA SEQUENCE KPGGHGERSV AVGTIDMAVW DAVAKIAGKP LFRLLAERHG VKANPRVFVY DATA SEQUENCE AAGGYYYPGK GLSMLRGEMR GYLDRGYNVV KMAIGGAPIE EDRMRIEAVL DATA SEQUENCE EEIGKDAQLA VDANGRFNLE TGIAYAKMLR DYPLFWYEEV GDPLDYALQA DATA SEQUENCE ALAEFYPGPM ATGENLFSHQ DARNLLRYGG MRPDRDWLQF DCALSYGLCE DATA SEQUENCE YQRTLEVLKT HGWSPSRCIP HGGHQMSLNI AAGLGLGGNE SYPDLFQPYG DATA SEQUENCE GFPDGVRVEN GHITMPDLPG IGFEGKSDLY KEMKALAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.597 174.600 -0.005 0.000 1.055 2 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 2 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 3 V N 6.203 126.112 119.914 -0.007 0.000 2.447 3 V HA 0.773 4.893 4.120 -0.000 0.000 0.292 3 V C -0.213 175.874 176.094 -0.012 0.000 1.021 3 V CA -0.602 61.692 62.300 -0.011 0.000 0.850 3 V CB 1.349 33.163 31.823 -0.015 0.000 1.005 3 V HN 0.952 nan 8.190 nan 0.000 0.426 4 R N 4.046 124.540 120.500 -0.010 0.000 2.680 4 R HA 0.715 5.055 4.340 -0.000 0.000 0.269 4 R C -1.637 174.657 176.300 -0.010 0.000 1.026 4 R CA -0.963 55.131 56.100 -0.010 0.000 0.889 4 R CB 1.910 32.207 30.300 -0.006 0.000 1.241 4 R HN 0.459 nan 8.270 nan 0.000 0.463 5 I N 3.342 123.906 120.570 -0.010 0.000 2.363 5 I HA 0.077 4.247 4.170 -0.000 0.000 0.292 5 I C 0.718 176.832 176.117 -0.004 0.000 1.075 5 I CA -0.456 60.839 61.300 -0.009 0.000 1.333 5 I CB 1.703 39.698 38.000 -0.008 0.000 1.415 5 I HN 0.534 nan 8.210 nan 0.000 0.502 6 V N 4.385 124.297 119.914 -0.003 0.000 3.174 6 V HA 0.064 4.184 4.120 -0.000 0.000 0.254 6 V C 0.201 176.297 176.094 0.003 0.000 1.120 6 V CA 1.101 63.401 62.300 0.001 0.000 1.114 6 V CB -0.398 31.426 31.823 0.002 0.000 0.756 6 V HN 0.809 nan 8.190 nan 0.000 0.467 7 D N -1.977 118.425 120.400 0.003 0.000 2.685 7 D HA 0.356 4.996 4.640 -0.000 0.000 0.236 7 D C -1.596 174.711 176.300 0.010 0.000 1.233 7 D CA -0.150 53.855 54.000 0.008 0.000 0.760 7 D CB 2.427 43.234 40.800 0.012 0.000 1.410 7 D HN -0.208 nan 8.370 nan 0.000 0.439 8 V N 3.098 123.023 119.914 0.018 0.000 2.419 8 V HA 0.542 4.662 4.120 -0.000 0.000 0.287 8 V C -0.102 176.012 176.094 0.033 0.000 1.017 8 V CA -0.642 61.674 62.300 0.026 0.000 0.844 8 V CB 1.441 33.284 31.823 0.032 0.000 1.011 8 V HN 0.401 nan 8.190 nan 0.000 0.429 9 R N 2.919 123.445 120.500 0.043 0.000 2.668 9 R HA 0.771 5.111 4.340 -0.000 0.000 0.279 9 R C -0.709 175.625 176.300 0.057 0.000 0.976 9 R CA -0.734 55.395 56.100 0.047 0.000 0.978 9 R CB 2.481 32.813 30.300 0.053 0.000 1.133 9 R HN 0.645 nan 8.270 nan 0.000 0.484 10 E N 2.700 122.927 120.200 0.046 0.000 2.383 10 E HA 0.430 4.780 4.350 -0.000 0.000 0.275 10 E C -1.626 174.991 176.600 0.028 0.000 0.918 10 E CA -0.770 55.655 56.400 0.042 0.000 0.764 10 E CB 2.479 32.200 29.700 0.036 0.000 1.252 10 E HN 0.572 nan 8.360 nan 0.000 0.449 11 I N 1.985 122.566 120.570 0.018 0.000 2.649 11 I HA 0.268 4.438 4.170 -0.000 0.000 0.289 11 I C -1.073 175.032 176.117 -0.020 0.000 1.222 11 I CA -0.294 61.007 61.300 0.003 0.000 1.046 11 I CB 2.105 40.110 38.000 0.008 0.000 1.272 11 I HN 0.363 nan 8.210 nan 0.000 0.425 12 T N 6.789 121.329 114.554 -0.024 0.000 2.794 12 T HA 0.349 4.699 4.350 -0.000 0.000 0.296 12 T C -0.294 174.373 174.700 -0.055 0.000 0.949 12 T CA -0.502 61.573 62.100 -0.042 0.000 1.101 12 T CB 0.487 69.341 68.868 -0.023 0.000 0.905 12 T HN 0.314 nan 8.240 nan 0.000 0.516 13 K N 4.297 124.630 120.400 -0.112 0.000 2.203 13 K HA 0.472 4.792 4.320 -0.000 0.000 0.251 13 K C -2.623 173.924 176.600 -0.089 0.000 0.944 13 K CA -2.520 53.702 56.287 -0.108 0.000 0.829 13 K CB 1.928 34.294 32.500 -0.223 0.000 1.125 13 K HN 0.320 nan 8.250 nan 0.000 0.430 14 P HA 0.371 nan 4.420 nan 0.000 0.290 14 P C -0.066 177.267 177.300 0.054 0.000 1.276 14 P CA -0.484 62.628 63.100 0.020 0.000 0.808 14 P CB 0.536 32.259 31.700 0.037 0.000 0.966 15 I N -0.606 120.006 120.570 0.070 0.000 3.007 15 I HA 0.245 4.415 4.170 -0.000 0.000 0.333 15 I C 0.016 176.257 176.117 0.207 0.000 1.489 15 I CA -0.629 60.767 61.300 0.161 0.000 0.906 15 I CB 0.361 38.458 38.000 0.161 0.000 1.702 15 I HN 0.055 nan 8.210 nan 0.000 0.548 16 S N 1.188 116.975 115.700 0.145 0.000 2.646 16 S HA 0.881 5.351 4.470 -0.000 0.000 0.276 16 S C 0.151 174.828 174.600 0.129 0.000 1.222 16 S CA 0.018 58.312 58.200 0.158 0.000 1.014 16 S CB 1.776 65.046 63.200 0.118 0.000 0.991 16 S HN 0.712 nan 8.310 nan 0.000 0.533 17 S N -0.597 115.191 115.700 0.146 0.000 2.633 17 S HA 0.436 4.906 4.470 -0.000 0.000 0.271 17 S C -3.116 171.560 174.600 0.126 0.000 1.112 17 S CA -1.002 57.268 58.200 0.117 0.000 0.828 17 S CB 0.857 64.106 63.200 0.081 0.000 1.086 17 S HN 0.493 nan 8.310 nan 0.000 0.461 18 P HA 0.206 nan 4.420 nan 0.000 0.253 18 P C 0.742 178.056 177.300 0.022 0.000 1.281 18 P CA -0.127 62.957 63.100 -0.026 0.000 0.792 18 P CB -0.868 30.681 31.700 -0.251 0.000 1.193 19 I N -1.848 118.804 120.570 0.137 0.000 2.892 19 I HA 0.198 4.368 4.170 -0.000 0.000 0.287 19 I C 0.302 176.544 176.117 0.208 0.000 1.205 19 I CA -0.244 61.134 61.300 0.130 0.000 1.409 19 I CB 0.283 38.081 38.000 -0.336 0.000 1.367 19 I HN -0.155 nan 8.210 nan 0.000 0.597 20 R N 3.665 124.384 120.500 0.364 0.000 2.698 20 R HA 0.464 4.804 4.340 -0.000 0.000 0.275 20 R C -1.391 175.315 176.300 0.677 0.000 1.001 20 R CA -0.671 55.711 56.100 0.471 0.000 0.896 20 R CB 1.668 32.163 30.300 0.326 0.000 1.218 20 R HN 1.007 nan 8.270 nan 0.000 0.462 21 N N 1.890 120.964 118.700 0.622 0.000 2.890 21 N HA 0.358 5.098 4.740 -0.000 0.000 0.317 21 N C 0.374 176.118 175.510 0.391 0.000 1.355 21 N CA -0.275 53.117 53.050 0.571 0.000 0.803 21 N CB 0.763 39.563 38.487 0.522 0.000 1.465 21 N HN 0.498 nan 8.380 nan 0.000 0.591 22 A N -1.375 121.627 122.820 0.303 0.000 2.024 22 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 22 A C 1.404 179.063 177.584 0.125 0.000 1.164 22 A CA 1.254 53.380 52.037 0.150 0.000 0.643 22 A CB -1.091 17.938 19.000 0.047 0.000 0.806 22 A HN 0.705 nan 8.150 nan 0.000 0.451 23 Y N -2.638 117.717 120.300 0.090 0.000 2.559 23 Y HA 0.479 5.029 4.550 -0.000 0.000 0.279 23 Y C 0.269 176.216 175.900 0.078 0.000 1.117 23 Y CA -0.077 58.061 58.100 0.064 0.000 1.263 23 Y CB 0.641 39.127 38.460 0.043 0.000 1.230 23 Y HN 0.198 nan 8.280 nan 0.000 0.528 24 I N -0.243 120.527 120.570 0.334 0.000 3.095 24 I HA 0.218 4.388 4.170 -0.000 0.000 0.310 24 I C -1.479 174.792 176.117 0.257 0.000 1.196 24 I CA -0.876 60.558 61.300 0.223 0.000 0.985 24 I CB 1.988 40.043 38.000 0.090 0.000 1.250 24 I HN 0.087 nan 8.210 nan 0.000 0.446 25 D N 1.271 121.777 120.400 0.176 0.000 2.433 25 D HA 0.363 5.003 4.640 -0.000 0.000 0.236 25 D C -0.683 175.733 176.300 0.194 0.000 1.026 25 D CA -0.308 53.858 54.000 0.277 0.000 0.884 25 D CB 0.916 41.824 40.800 0.180 0.000 1.384 25 D HN 0.202 nan 8.370 nan 0.000 0.477 26 F N 0.699 120.676 119.950 0.044 0.000 2.713 26 F HA 0.222 4.749 4.527 -0.000 0.000 0.294 26 F C 2.088 177.909 175.800 0.036 0.000 1.152 26 F CA -0.369 57.641 58.000 0.017 0.000 1.385 26 F CB -0.222 38.778 39.000 0.001 0.000 0.981 26 F HN 0.397 nan 8.300 nan 0.000 0.514 27 T N -0.183 114.470 114.554 0.166 0.000 2.778 27 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 27 T C 1.788 176.554 174.700 0.109 0.000 1.050 27 T CA 1.509 63.678 62.100 0.116 0.000 1.137 27 T CB -0.020 68.898 68.868 0.082 0.000 0.860 27 T HN 0.062 nan 8.240 nan 0.000 0.468 28 K N -0.087 120.393 120.400 0.133 0.000 2.506 28 K HA 0.309 4.629 4.320 -0.000 0.000 0.204 28 K C -0.076 176.665 176.600 0.235 0.000 1.045 28 K CA -0.326 56.057 56.287 0.160 0.000 1.074 28 K CB 0.343 32.931 32.500 0.147 0.000 0.842 28 K HN 0.264 nan 8.250 nan 0.000 0.514 29 M N 2.453 122.116 119.600 0.105 0.000 2.252 29 M HA -0.009 4.471 4.480 -0.000 0.000 0.348 29 M C 0.248 176.553 176.300 0.009 0.000 1.334 29 M CA 0.633 55.882 55.300 -0.084 0.000 1.071 29 M CB 0.240 32.767 32.600 -0.122 0.000 1.763 29 M HN 0.312 nan 8.290 nan 0.000 0.452 30 T N 0.822 115.366 114.554 -0.016 0.000 2.838 30 T HA 0.859 5.209 4.350 -0.000 0.000 0.292 30 T C -0.482 174.159 174.700 -0.099 0.000 1.113 30 T CA -0.836 61.257 62.100 -0.013 0.000 1.008 30 T CB 1.825 70.729 68.868 0.060 0.000 1.259 30 T HN 0.720 nan 8.240 nan 0.000 0.520 31 T N -0.291 114.180 114.554 -0.139 0.000 2.889 31 T HA 0.578 4.928 4.350 -0.000 0.000 0.315 31 T C -1.335 173.267 174.700 -0.162 0.000 1.291 31 T CA -0.545 61.450 62.100 -0.174 0.000 1.028 31 T CB 1.692 70.391 68.868 -0.281 0.000 1.235 31 T HN 0.730 nan 8.240 nan 0.000 0.491 32 S N 2.594 118.237 115.700 -0.095 0.000 2.457 32 S HA 0.603 5.073 4.470 -0.000 0.000 0.289 32 S C -0.672 173.910 174.600 -0.031 0.000 1.163 32 S CA -0.581 57.585 58.200 -0.056 0.000 1.078 32 S CB 0.783 63.972 63.200 -0.018 0.000 0.987 32 S HN 0.612 nan 8.310 nan 0.000 0.482 33 L N 5.860 127.063 121.223 -0.033 0.000 2.272 33 L HA 0.625 4.965 4.340 -0.000 0.000 0.289 33 L C -0.875 176.047 176.870 0.086 0.000 1.032 33 L CA -0.133 54.730 54.840 0.037 0.000 0.810 33 L CB 0.969 43.030 42.059 0.003 0.000 1.205 33 L HN 0.415 nan 8.230 nan 0.000 0.422 34 V N 4.279 124.275 119.914 0.137 0.000 2.715 34 V HA 0.902 5.022 4.120 -0.000 0.000 0.310 34 V C -0.189 176.028 176.094 0.205 0.000 1.054 34 V CA -0.475 61.906 62.300 0.135 0.000 0.928 34 V CB 1.688 33.568 31.823 0.095 0.000 1.007 34 V HN 0.935 nan 8.190 nan 0.000 0.437 35 A N 3.463 126.375 122.820 0.152 0.000 2.343 35 A HA 0.802 5.122 4.320 -0.000 0.000 0.308 35 A C -1.108 176.476 177.584 -0.000 0.000 1.092 35 A CA -0.491 51.600 52.037 0.090 0.000 0.751 35 A CB 1.717 20.817 19.000 0.167 0.000 1.203 35 A HN 0.633 nan 8.150 nan 0.000 0.452 36 V N 3.937 123.808 119.914 -0.071 0.000 2.294 36 V HA 0.268 4.388 4.120 -0.000 0.000 0.272 36 V C -0.154 175.891 176.094 -0.082 0.000 1.027 36 V CA -0.384 61.889 62.300 -0.046 0.000 0.823 36 V CB 1.155 32.964 31.823 -0.024 0.000 1.030 36 V HN 0.644 nan 8.190 nan 0.000 0.457 37 V N 5.186 125.072 119.914 -0.047 0.000 2.432 37 V HA 0.481 4.601 4.120 -0.000 0.000 0.275 37 V C 0.746 176.825 176.094 -0.024 0.000 1.043 37 V CA -0.114 62.162 62.300 -0.040 0.000 0.925 37 V CB 1.415 33.231 31.823 -0.011 0.000 0.985 37 V HN 0.965 nan 8.190 nan 0.000 0.466 38 T N 0.191 114.730 114.554 -0.024 0.000 2.919 38 T HA 0.438 4.788 4.350 -0.000 0.000 0.282 38 T C 0.198 174.895 174.700 -0.005 0.000 1.020 38 T CA -0.305 61.786 62.100 -0.015 0.000 0.994 38 T CB 1.813 70.670 68.868 -0.017 0.000 1.180 38 T HN 0.680 nan 8.240 nan 0.000 0.566 39 D N -0.290 120.108 120.400 -0.002 0.000 2.501 39 D HA 0.238 4.878 4.640 -0.000 0.000 0.226 39 D C 0.064 176.366 176.300 0.004 0.000 1.198 39 D CA -0.343 53.658 54.000 0.003 0.000 0.830 39 D CB -0.409 40.392 40.800 0.002 0.000 1.014 39 D HN 0.336 nan 8.370 nan 0.000 0.496 40 V N 0.394 120.309 119.914 0.003 0.000 2.713 40 V HA 0.527 4.647 4.120 -0.000 0.000 0.307 40 V C 0.055 176.156 176.094 0.012 0.000 1.052 40 V CA -1.077 61.226 62.300 0.005 0.000 0.967 40 V CB 2.099 33.922 31.823 0.000 0.000 1.019 40 V HN 0.143 nan 8.190 nan 0.000 0.459 41 V N 4.934 124.857 119.914 0.014 0.000 2.709 41 V HA 0.793 4.913 4.120 -0.000 0.000 0.308 41 V C -0.936 175.170 176.094 0.020 0.000 1.062 41 V CA -0.453 61.860 62.300 0.021 0.000 0.901 41 V CB 1.884 33.720 31.823 0.022 0.000 1.003 41 V HN 0.903 nan 8.190 nan 0.000 0.425 42 R N 3.797 124.312 120.500 0.026 0.000 2.698 42 R HA 0.480 4.820 4.340 -0.000 0.000 0.275 42 R C -0.230 176.087 176.300 0.029 0.000 1.001 42 R CA -0.377 55.737 56.100 0.023 0.000 0.896 42 R CB 1.701 32.013 30.300 0.021 0.000 1.218 42 R HN 0.986 nan 8.270 nan 0.000 0.462 43 E N 0.550 120.764 120.200 0.024 0.000 2.539 43 E HA -0.257 4.093 4.350 -0.000 0.000 0.253 43 E C 0.352 176.971 176.600 0.033 0.000 1.145 43 E CA 0.813 57.229 56.400 0.026 0.000 0.738 43 E CB -1.218 28.498 29.700 0.028 0.000 1.308 43 E HN 1.116 nan 8.360 nan 0.000 0.409 44 G N 0.644 109.463 108.800 0.030 0.000 2.225 44 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.267 44 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.267 44 G C 0.049 174.975 174.900 0.043 0.000 1.024 44 G CA 1.286 46.406 45.100 0.033 0.000 0.784 44 G HN 0.560 nan 8.290 nan 0.000 0.507 45 K N -1.508 118.922 120.400 0.049 0.000 2.532 45 K HA 0.678 4.998 4.320 -0.000 0.000 0.265 45 K C 0.069 176.704 176.600 0.059 0.000 0.948 45 K CA -1.282 55.042 56.287 0.063 0.000 0.842 45 K CB 1.672 34.226 32.500 0.089 0.000 1.392 45 K HN 0.190 nan 8.250 nan 0.000 0.436 46 R N 1.827 122.363 120.500 0.060 0.000 2.570 46 R HA 0.061 4.401 4.340 -0.000 0.000 0.277 46 R C -0.555 175.776 176.300 0.053 0.000 1.039 46 R CA -0.348 55.781 56.100 0.048 0.000 1.065 46 R CB 0.795 31.122 30.300 0.045 0.000 0.964 46 R HN 0.556 nan 8.270 nan 0.000 0.428 47 V N 5.998 125.930 119.914 0.030 0.000 2.461 47 V HA 0.353 4.473 4.120 -0.000 0.000 0.275 47 V C -0.787 175.296 176.094 -0.018 0.000 1.047 47 V CA -0.246 62.066 62.300 0.021 0.000 0.955 47 V CB 1.326 33.157 31.823 0.013 0.000 0.988 47 V HN 0.551 nan 8.190 nan 0.000 0.471 48 V N 6.656 126.536 119.914 -0.057 0.000 2.483 48 V HA 0.689 4.809 4.120 -0.000 0.000 0.297 48 V C 0.691 176.533 176.094 -0.419 0.000 1.027 48 V CA -0.033 62.127 62.300 -0.234 0.000 0.855 48 V CB 1.503 33.160 31.823 -0.277 0.000 0.995 48 V HN 1.065 nan 8.190 nan 0.000 0.424 49 G N 3.011 111.613 108.800 -0.330 0.000 2.400 49 G HA2 0.610 4.570 3.960 -0.000 0.000 0.301 49 G HA3 0.610 4.570 3.960 -0.000 0.000 0.301 49 G C -1.499 173.207 174.900 -0.323 0.000 1.154 49 G CA -0.121 44.863 45.100 -0.195 0.000 0.852 49 G HN 0.477 nan 8.290 nan 0.000 0.511 50 Y N -0.542 119.932 120.300 0.291 0.000 2.570 50 Y HA 0.752 5.302 4.550 -0.000 0.000 0.345 50 Y C 0.643 176.721 175.900 0.296 0.000 1.014 50 Y CA -0.460 57.794 58.100 0.257 0.000 1.063 50 Y CB 2.829 41.426 38.460 0.228 0.000 1.272 50 Y HN 0.903 nan 8.280 nan 0.000 0.477 51 G N 0.774 109.768 108.800 0.323 0.000 2.601 51 G HA2 0.624 4.584 3.960 -0.000 0.000 0.291 51 G HA3 0.624 4.584 3.960 -0.000 0.000 0.291 51 G C -2.133 172.837 174.900 0.118 0.000 1.456 51 G CA -0.863 44.322 45.100 0.142 0.000 0.804 51 G HN 0.611 nan 8.290 nan 0.000 0.499 52 F N -0.617 119.318 119.950 -0.024 0.000 2.668 52 F HA 0.671 5.198 4.527 -0.000 0.000 0.309 52 F C -0.536 175.192 175.800 -0.120 0.000 1.117 52 F CA -1.638 56.303 58.000 -0.098 0.000 0.951 52 F CB 1.350 40.262 39.000 -0.147 0.000 1.323 52 F HN 0.610 nan 8.300 nan 0.000 0.451 53 N N 0.856 119.600 118.700 0.072 0.000 2.489 53 N HA 0.379 5.119 4.740 -0.000 0.000 0.284 53 N C -0.751 174.814 175.510 0.092 0.000 1.158 53 N CA -0.490 52.550 53.050 -0.017 0.000 0.965 53 N CB 1.696 40.150 38.487 -0.055 0.000 1.195 53 N HN 0.692 nan 8.380 nan 0.000 0.506 54 S N 0.545 116.300 115.700 0.092 0.000 2.589 54 S HA 0.020 4.490 4.470 -0.000 0.000 0.265 54 S C 0.642 175.235 174.600 -0.012 0.000 1.342 54 S CA -0.867 57.436 58.200 0.173 0.000 1.005 54 S CB 0.070 63.489 63.200 0.365 0.000 0.909 54 S HN 0.774 nan 8.310 nan 0.000 0.555 55 N N 0.215 118.789 118.700 -0.211 0.000 2.416 55 N HA 0.202 4.942 4.740 -0.000 0.000 0.246 55 N C 0.974 176.387 175.510 -0.161 0.000 1.260 55 N CA 0.539 53.309 53.050 -0.467 0.000 0.897 55 N CB 0.302 37.995 38.487 -1.323 0.000 1.110 55 N HN 0.873 nan 8.380 nan 0.000 0.439 56 G N 1.207 109.826 108.800 -0.301 0.000 2.345 56 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 56 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 56 G C 0.842 175.491 174.900 -0.418 0.000 1.058 56 G CA -0.102 44.786 45.100 -0.353 0.000 0.632 56 G HN 0.585 nan 8.290 nan 0.000 0.508 57 R N 0.088 120.416 120.500 -0.288 0.000 2.362 57 R HA 0.485 4.825 4.340 -0.000 0.000 0.227 57 R C 0.328 176.606 176.300 -0.036 0.000 0.905 57 R CA -0.143 55.854 56.100 -0.171 0.000 1.067 57 R CB -0.555 29.633 30.300 -0.187 0.000 1.078 57 R HN 0.783 nan 8.270 nan 0.000 0.516 58 Y N -0.892 119.324 120.300 -0.141 0.000 2.506 58 Y HA -0.211 4.338 4.550 -0.000 0.000 0.020 58 Y C 1.156 176.990 175.900 -0.111 0.000 1.702 58 Y CA 0.509 58.536 58.100 -0.122 0.000 1.419 58 Y CB -1.187 37.207 38.460 -0.109 0.000 2.065 58 Y HN 0.244 nan 8.280 nan 0.000 0.254 59 G N 0.897 109.751 108.800 0.090 0.000 2.569 59 G HA2 0.423 4.383 3.960 -0.000 0.000 0.249 59 G HA3 0.423 4.383 3.960 -0.000 0.000 0.249 59 G C -0.165 174.743 174.900 0.014 0.000 1.216 59 G CA -0.542 44.566 45.100 0.013 0.000 0.845 59 G HN 0.433 nan 8.290 nan 0.000 0.568 60 Q N 1.036 120.834 119.800 -0.004 0.000 2.217 60 Q HA 0.188 4.527 4.340 -0.000 0.000 0.340 60 Q C 1.707 177.717 176.000 0.017 0.000 0.893 60 Q CA 0.035 55.840 55.803 0.003 0.000 1.142 60 Q CB 0.751 29.485 28.738 -0.005 0.000 1.288 60 Q HN 0.719 nan 8.270 nan 0.000 0.426 61 G N 0.795 109.600 108.800 0.008 0.000 2.476 61 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 61 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 61 G C 1.254 176.162 174.900 0.014 0.000 1.164 61 G CA 1.135 46.241 45.100 0.011 0.000 0.768 61 G HN 0.513 nan 8.290 nan 0.000 0.560 62 G N 0.748 109.550 108.800 0.003 0.000 2.459 62 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 62 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 62 G C 1.835 176.736 174.900 0.002 0.000 1.183 62 G CA 0.821 45.918 45.100 -0.005 0.000 0.776 62 G HN 0.420 nan 8.290 nan 0.000 0.552 63 L N 0.057 121.299 121.223 0.032 0.000 2.046 63 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 63 L C 2.913 179.862 176.870 0.131 0.000 1.077 63 L CA 0.734 55.616 54.840 0.070 0.000 0.747 63 L CB -0.317 41.855 42.059 0.188 0.000 0.896 63 L HN 0.226 nan 8.230 nan 0.000 0.432 64 I N -0.674 119.993 120.570 0.160 0.000 2.163 64 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 64 I C 2.759 178.930 176.117 0.090 0.000 1.085 64 I CA 1.417 62.823 61.300 0.175 0.000 1.347 64 I CB -0.271 37.789 38.000 0.102 0.000 1.044 64 I HN 0.212 nan 8.210 nan 0.000 0.408 65 R N 0.482 121.004 120.500 0.036 0.000 2.057 65 R HA -0.107 4.233 4.340 -0.000 0.000 0.229 65 R C 2.203 178.484 176.300 -0.032 0.000 1.136 65 R CA 1.306 57.408 56.100 0.005 0.000 0.952 65 R CB -0.250 30.049 30.300 -0.001 0.000 0.848 65 R HN 0.364 nan 8.270 nan 0.000 0.430 66 E N -0.410 119.757 120.200 -0.056 0.000 2.204 66 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 66 E C 1.910 178.408 176.600 -0.171 0.000 0.989 66 E CA 0.834 57.177 56.400 -0.095 0.000 0.824 66 E CB 0.247 29.895 29.700 -0.087 0.000 0.756 66 E HN 0.164 nan 8.360 nan 0.000 0.477 67 R N -1.497 118.838 120.500 -0.275 0.000 2.437 67 R HA 0.119 4.459 4.340 -0.000 0.000 0.184 67 R C 1.510 177.471 176.300 -0.565 0.000 0.850 67 R CA 0.073 55.864 56.100 -0.515 0.000 1.073 67 R CB 0.299 30.085 30.300 -0.858 0.000 1.336 67 R HN 0.058 nan 8.270 nan 0.000 0.640 68 F N 0.544 120.472 119.950 -0.037 0.000 2.220 68 F HA 0.248 4.775 4.527 -0.000 0.000 0.290 68 F C 2.377 178.155 175.800 -0.036 0.000 1.080 68 F CA 0.901 58.874 58.000 -0.046 0.000 1.318 68 F CB -0.740 38.229 39.000 -0.052 0.000 1.063 68 F HN 0.041 nan 8.300 nan 0.000 0.498 69 A N 0.618 123.517 122.820 0.132 0.000 1.883 69 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 69 A C 2.394 179.996 177.584 0.031 0.000 1.186 69 A CA 2.497 54.578 52.037 0.072 0.000 0.624 69 A CB -1.359 17.673 19.000 0.053 0.000 0.822 69 A HN 0.415 nan 8.150 nan 0.000 0.444 70 S N 0.162 115.863 115.700 0.000 0.000 2.374 70 S HA -0.263 4.207 4.470 -0.000 0.000 0.227 70 S C 1.968 176.560 174.600 -0.014 0.000 1.037 70 S CA 1.483 59.673 58.200 -0.017 0.000 1.024 70 S CB -0.515 62.660 63.200 -0.042 0.000 0.861 70 S HN 0.629 nan 8.310 nan 0.000 0.456 71 R N 0.827 121.318 120.500 -0.014 0.000 2.081 71 R HA 0.129 4.469 4.340 -0.000 0.000 0.235 71 R C 2.374 178.680 176.300 0.010 0.000 1.131 71 R CA 1.665 57.761 56.100 -0.006 0.000 0.960 71 R CB -0.592 29.708 30.300 -0.000 0.000 0.856 71 R HN 0.460 nan 8.270 nan 0.000 0.436 72 I N 0.727 121.311 120.570 0.024 0.000 2.179 72 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 72 I C 2.073 178.197 176.117 0.011 0.000 1.088 72 I CA 1.352 62.665 61.300 0.021 0.000 1.357 72 I CB -0.227 37.791 38.000 0.029 0.000 1.051 72 I HN 0.148 nan 8.210 nan 0.000 0.409 73 L N 0.106 121.335 121.223 0.009 0.000 2.201 73 L HA -0.158 4.181 4.340 -0.000 0.000 0.212 73 L C 2.079 178.949 176.870 0.000 0.000 1.105 73 L CA 1.222 56.065 54.840 0.004 0.000 0.775 73 L CB -0.469 41.592 42.059 0.004 0.000 0.913 73 L HN 0.266 nan 8.230 nan 0.000 0.440 74 E N 0.206 120.405 120.200 -0.002 0.000 2.442 74 E HA 0.122 4.472 4.350 -0.000 0.000 0.195 74 E C 0.854 177.453 176.600 -0.003 0.000 1.030 74 E CA -0.030 56.368 56.400 -0.005 0.000 0.869 74 E CB 0.241 29.935 29.700 -0.010 0.000 0.857 74 E HN 0.407 nan 8.360 nan 0.000 0.505 75 A N 1.701 124.521 122.820 0.000 0.000 2.386 75 A HA 0.016 4.336 4.320 -0.000 0.000 0.248 75 A C 0.065 177.649 177.584 0.001 0.000 1.082 75 A CA -0.454 51.585 52.037 0.002 0.000 0.789 75 A CB 0.376 19.379 19.000 0.006 0.000 1.025 75 A HN -0.004 nan 8.150 nan 0.000 0.490 76 D N 1.976 122.377 120.400 0.001 0.000 2.382 76 D HA 0.133 4.773 4.640 -0.000 0.000 0.259 76 D C -1.511 174.789 176.300 -0.001 0.000 1.224 76 D CA -1.461 52.539 54.000 0.000 0.000 0.894 76 D CB 0.928 41.728 40.800 0.001 0.000 1.127 76 D HN 0.121 nan 8.370 nan 0.000 0.487 77 P HA -0.170 nan 4.420 nan 0.000 0.217 77 P C 0.910 178.207 177.300 -0.006 0.000 1.151 77 P CA 1.504 64.602 63.100 -0.004 0.000 0.849 77 P CB 0.229 31.926 31.700 -0.004 0.000 0.787 78 K N -0.379 120.019 120.400 -0.004 0.000 2.283 78 K HA -0.077 4.243 4.320 -0.000 0.000 0.202 78 K C 1.484 178.081 176.600 -0.004 0.000 1.048 78 K CA 0.926 57.211 56.287 -0.005 0.000 0.948 78 K CB -0.151 32.347 32.500 -0.003 0.000 0.742 78 K HN 0.237 nan 8.250 nan 0.000 0.458 79 K N 0.574 120.972 120.400 -0.002 0.000 2.417 79 K HA 0.125 4.445 4.320 -0.000 0.000 0.196 79 K C 0.905 177.505 176.600 -0.000 0.000 1.023 79 K CA 0.204 56.492 56.287 0.000 0.000 1.122 79 K CB 0.407 32.909 32.500 0.004 0.000 0.850 79 K HN 0.112 nan 8.250 nan 0.000 0.521 80 L N 0.932 122.151 121.223 -0.006 0.000 2.808 80 L HA 0.260 4.600 4.340 -0.000 0.000 0.246 80 L C 0.157 177.011 176.870 -0.026 0.000 1.153 80 L CA -0.113 54.720 54.840 -0.012 0.000 0.956 80 L CB 0.200 42.251 42.059 -0.012 0.000 1.270 80 L HN 0.039 nan 8.230 nan 0.000 0.528 81 L N 0.275 121.484 121.223 -0.022 0.000 2.416 81 L HA 0.327 4.667 4.340 -0.000 0.000 0.262 81 L C 0.289 177.141 176.870 -0.029 0.000 1.093 81 L CA -0.836 53.987 54.840 -0.029 0.000 0.801 81 L CB 0.697 42.744 42.059 -0.021 0.000 1.191 81 L HN 0.172 nan 8.230 nan 0.000 0.459 82 N N -0.077 118.602 118.700 -0.034 0.000 2.322 82 N HA 0.022 4.762 4.740 -0.000 0.000 0.270 82 N C 0.570 176.068 175.510 -0.019 0.000 1.286 82 N CA -0.425 52.607 53.050 -0.031 0.000 0.948 82 N CB 0.219 38.685 38.487 -0.035 0.000 1.164 82 N HN 0.470 nan 8.380 nan 0.000 0.551 83 E N -0.524 119.667 120.200 -0.016 0.000 2.065 83 E HA -0.242 4.108 4.350 -0.000 0.000 0.201 83 E C 1.626 178.220 176.600 -0.009 0.000 1.016 83 E CA 2.208 58.601 56.400 -0.011 0.000 0.818 83 E CB -0.743 28.951 29.700 -0.009 0.000 0.749 83 E HN 0.748 nan 8.360 nan 0.000 0.453 84 A N -0.004 122.810 122.820 -0.010 0.000 2.168 84 A HA 0.161 4.481 4.320 -0.000 0.000 0.215 84 A C 1.813 179.392 177.584 -0.009 0.000 1.152 84 A CA 1.283 53.315 52.037 -0.008 0.000 0.716 84 A CB -0.371 18.625 19.000 -0.007 0.000 0.794 84 A HN 0.356 nan 8.150 nan 0.000 0.465 85 G N 0.332 109.125 108.800 -0.012 0.000 2.179 85 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.257 85 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.257 85 G C 0.147 175.040 174.900 -0.012 0.000 1.010 85 G CA 0.967 46.060 45.100 -0.012 0.000 0.736 85 G HN 0.871 nan 8.290 nan 0.000 0.513 86 D N -1.085 119.307 120.400 -0.013 0.000 2.395 86 D HA 0.318 4.958 4.640 -0.000 0.000 0.213 86 D C 0.622 176.913 176.300 -0.016 0.000 1.110 86 D CA -0.099 53.894 54.000 -0.012 0.000 0.835 86 D CB 0.423 41.217 40.800 -0.009 0.000 0.965 86 D HN 0.286 nan 8.370 nan 0.000 0.505 87 N N -0.384 118.302 118.700 -0.024 0.000 3.046 87 N HA 0.284 5.024 4.740 -0.000 0.000 0.243 87 N C -1.666 173.815 175.510 -0.049 0.000 1.452 87 N CA -0.604 52.425 53.050 -0.034 0.000 0.882 87 N CB 1.197 39.662 38.487 -0.036 0.000 1.425 87 N HN -0.074 nan 8.380 nan 0.000 0.517 88 L N 0.760 121.942 121.223 -0.068 0.000 2.417 88 L HA 0.286 4.626 4.340 -0.000 0.000 0.268 88 L C 0.293 177.086 176.870 -0.129 0.000 1.158 88 L CA -0.323 54.465 54.840 -0.087 0.000 0.819 88 L CB 0.503 42.504 42.059 -0.097 0.000 1.112 88 L HN 0.464 nan 8.230 nan 0.000 0.458 89 D N 3.624 123.953 120.400 -0.119 0.000 2.412 89 D HA 0.207 4.847 4.640 -0.000 0.000 0.224 89 D C -1.857 174.326 176.300 -0.196 0.000 1.093 89 D CA -1.954 51.960 54.000 -0.144 0.000 0.850 89 D CB 1.986 42.740 40.800 -0.077 0.000 1.046 89 D HN 0.164 nan 8.370 nan 0.000 0.507 90 P HA -0.144 nan 4.420 nan 0.000 0.216 90 P C 0.793 178.013 177.300 -0.133 0.000 1.157 90 P CA 1.028 63.830 63.100 -0.497 0.000 0.880 90 P CB 0.398 31.291 31.700 -1.345 0.000 0.791 91 D N -0.710 119.648 120.400 -0.070 0.000 2.178 91 D HA -0.121 4.519 4.640 -0.000 0.000 0.202 91 D C 1.735 178.111 176.300 0.127 0.000 0.974 91 D CA 1.049 55.087 54.000 0.063 0.000 0.841 91 D CB -0.177 40.631 40.800 0.013 0.000 0.953 91 D HN 0.313 nan 8.370 nan 0.000 0.478 92 K N 0.451 120.882 120.400 0.051 0.000 2.103 92 K HA -0.022 4.298 4.320 -0.000 0.000 0.204 92 K C 2.223 178.869 176.600 0.078 0.000 1.052 92 K CA 0.348 56.672 56.287 0.060 0.000 0.945 92 K CB 0.162 32.671 32.500 0.015 0.000 0.722 92 K HN -0.032 nan 8.250 nan 0.000 0.443 93 V N 0.206 120.153 119.914 0.056 0.000 2.427 93 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 93 V C 1.876 178.040 176.094 0.117 0.000 1.051 93 V CA 1.473 63.806 62.300 0.054 0.000 1.048 93 V CB -0.454 31.373 31.823 0.008 0.000 0.666 93 V HN 0.444 nan 8.190 nan 0.000 0.456 94 W N 0.957 122.257 121.300 -0.001 0.000 2.354 94 W HA -0.221 4.439 4.660 -0.000 0.000 0.315 94 W C 2.527 179.074 176.519 0.046 0.000 1.206 94 W CA 2.399 59.766 57.345 0.038 0.000 1.290 94 W CB -0.379 29.115 29.460 0.057 0.000 1.152 94 W HN 0.188 nan 8.180 nan 0.000 0.489 95 A N 0.393 123.437 122.820 0.373 0.000 1.908 95 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 95 A C 2.036 179.659 177.584 0.064 0.000 1.181 95 A CA 2.616 54.793 52.037 0.234 0.000 0.627 95 A CB -1.554 17.574 19.000 0.214 0.000 0.818 95 A HN 0.404 nan 8.150 nan 0.000 0.445 96 A N 0.451 123.304 122.820 0.056 0.000 1.902 96 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 96 A C 2.273 179.862 177.584 0.009 0.000 1.181 96 A CA 2.028 54.082 52.037 0.027 0.000 0.623 96 A CB -0.666 18.351 19.000 0.028 0.000 0.818 96 A HN 0.866 nan 8.150 nan 0.000 0.443 97 M N -3.210 116.380 119.600 -0.016 0.000 2.558 97 M HA 0.230 4.710 4.480 -0.000 0.000 0.255 97 M C 1.116 177.451 176.300 0.058 0.000 1.113 97 M CA 1.018 56.346 55.300 0.046 0.000 1.097 97 M CB 0.036 32.673 32.600 0.061 0.000 1.426 97 M HN 0.105 nan 8.290 nan 0.000 0.488 98 M N 2.174 121.690 119.600 -0.139 0.000 2.428 98 M HA 0.367 4.847 4.480 -0.000 0.000 0.239 98 M C 0.617 176.898 176.300 -0.031 0.000 1.121 98 M CA -0.381 54.820 55.300 -0.165 0.000 1.019 98 M CB -0.728 31.543 32.600 -0.549 0.000 1.485 98 M HN 0.436 nan 8.290 nan 0.000 0.484 99 I N -0.410 120.158 120.570 -0.003 0.000 2.754 99 I HA 0.088 4.258 4.170 -0.000 0.000 0.285 99 I C 0.286 176.406 176.117 0.004 0.000 1.166 99 I CA -0.048 61.257 61.300 0.008 0.000 1.417 99 I CB 0.174 38.178 38.000 0.006 0.000 1.382 99 I HN 0.281 nan 8.210 nan 0.000 0.588 100 N N 1.883 120.587 118.700 0.007 0.000 2.725 100 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 100 N C -0.846 174.668 175.510 0.006 0.000 1.103 100 N CA 0.978 54.028 53.050 -0.001 0.000 0.707 100 N CB -1.082 37.392 38.487 -0.020 0.000 1.043 100 N HN 0.706 nan 8.380 nan 0.000 0.553 101 E N 0.819 121.038 120.200 0.032 0.000 2.129 101 E HA 0.278 4.628 4.350 -0.000 0.000 0.268 101 E C 0.353 176.987 176.600 0.056 0.000 0.900 101 E CA -0.382 56.055 56.400 0.061 0.000 0.755 101 E CB 1.437 31.204 29.700 0.112 0.000 1.117 101 E HN 0.137 nan 8.360 nan 0.000 0.410 102 K N 3.135 123.562 120.400 0.045 0.000 2.258 102 K HA 0.240 4.559 4.320 -0.000 0.000 0.264 102 K C -1.854 174.769 176.600 0.039 0.000 1.007 102 K CA -1.292 55.016 56.287 0.035 0.000 0.941 102 K CB 0.203 32.713 32.500 0.017 0.000 0.966 102 K HN 0.302 nan 8.250 nan 0.000 0.480 103 P HA 0.037 nan 4.420 nan 0.000 0.271 103 P C 0.256 177.517 177.300 -0.065 0.000 1.233 103 P CA 0.048 63.169 63.100 0.036 0.000 0.789 103 P CB 0.453 32.183 31.700 0.051 0.000 0.951 104 G N 0.043 108.721 108.800 -0.204 0.000 2.796 104 G HA2 0.201 4.161 3.960 -0.000 0.000 0.226 104 G HA3 0.201 4.161 3.960 -0.000 0.000 0.226 104 G C 0.383 174.951 174.900 -0.552 0.000 1.381 104 G CA 0.312 45.168 45.100 -0.406 0.000 0.867 104 G HN 1.252 nan 8.290 nan 0.000 0.552 105 G N -1.369 107.230 108.800 -0.336 0.000 2.333 105 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.296 105 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.296 105 G C 0.196 175.045 174.900 -0.086 0.000 1.059 105 G CA 0.980 45.991 45.100 -0.149 0.000 1.050 105 G HN 1.660 nan 8.290 nan 0.000 0.508 106 H N 0.255 119.448 119.070 0.206 0.000 3.014 106 H HA 0.543 5.099 4.556 -0.000 0.000 0.266 106 H C 0.889 176.362 175.328 0.242 0.000 1.455 106 H CA 0.565 56.792 56.048 0.299 0.000 1.402 106 H CB 0.572 30.567 29.762 0.388 0.000 1.626 106 H HN 0.892 nan 8.280 nan 0.000 0.520 107 G N 0.688 109.587 108.800 0.165 0.000 2.655 107 G HA2 0.304 4.264 3.960 -0.000 0.000 0.296 107 G HA3 0.304 4.264 3.960 -0.000 0.000 0.296 107 G C -0.251 174.586 174.900 -0.104 0.000 1.485 107 G CA -0.494 44.599 45.100 -0.012 0.000 0.869 107 G HN 0.236 nan 8.290 nan 0.000 0.540 108 E N -0.821 119.244 120.200 -0.225 0.000 4.234 108 E HA -0.344 4.006 4.350 -0.000 0.000 0.187 108 E C 2.197 178.714 176.600 -0.140 0.000 1.237 108 E CA 3.009 59.321 56.400 -0.147 0.000 2.362 108 E CB -0.925 28.743 29.700 -0.052 0.000 1.813 108 E HN 0.849 nan 8.360 nan 0.000 0.402 109 R N 0.914 121.377 120.500 -0.062 0.000 2.148 109 R HA 0.004 4.344 4.340 -0.000 0.000 0.227 109 R C 2.053 178.126 176.300 -0.377 0.000 1.103 109 R CA 2.023 58.112 56.100 -0.019 0.000 0.983 109 R CB -0.497 29.953 30.300 0.250 0.000 0.874 109 R HN 0.359 nan 8.270 nan 0.000 0.451 110 S N 0.675 116.020 115.700 -0.592 0.000 2.423 110 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 110 S C 2.000 176.207 174.600 -0.656 0.000 1.014 110 S CA 0.979 58.460 58.200 -1.199 0.000 0.965 110 S CB -0.261 62.324 63.200 -1.025 0.000 0.785 110 S HN 0.167 nan 8.310 nan 0.000 0.495 111 V N 2.193 121.828 119.914 -0.465 0.000 2.407 111 V HA 0.032 4.152 4.120 -0.000 0.000 0.245 111 V C 3.103 179.059 176.094 -0.229 0.000 1.041 111 V CA 1.344 63.455 62.300 -0.315 0.000 1.040 111 V CB -1.392 30.264 31.823 -0.278 0.000 0.671 111 V HN 0.630 nan 8.190 nan 0.000 0.455 112 A N 0.069 122.753 122.820 -0.227 0.000 1.877 112 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 112 A C 2.390 179.809 177.584 -0.276 0.000 1.186 112 A CA 2.189 54.124 52.037 -0.169 0.000 0.620 112 A CB -0.738 18.236 19.000 -0.044 0.000 0.822 112 A HN 0.314 nan 8.150 nan 0.000 0.443 113 V N -0.115 119.504 119.914 -0.493 0.000 2.358 113 V HA -0.152 3.968 4.120 -0.000 0.000 0.246 113 V C 2.799 178.827 176.094 -0.110 0.000 1.047 113 V CA 1.910 63.952 62.300 -0.430 0.000 1.035 113 V CB -1.384 30.160 31.823 -0.466 0.000 0.658 113 V HN 0.625 nan 8.190 nan 0.000 0.452 114 G N -1.317 107.431 108.800 -0.087 0.000 2.432 114 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 114 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 114 G C 1.764 176.666 174.900 0.003 0.000 1.135 114 G CA 1.501 46.619 45.100 0.029 0.000 0.767 114 G HN 0.444 nan 8.290 nan 0.000 0.550 115 T N 0.262 114.785 114.554 -0.052 0.000 2.896 115 T HA 0.053 4.403 4.350 -0.000 0.000 0.263 115 T C 2.437 177.147 174.700 0.017 0.000 1.050 115 T CA 0.742 62.817 62.100 -0.041 0.000 1.140 115 T CB -0.185 68.656 68.868 -0.046 0.000 0.877 115 T HN 0.259 nan 8.240 nan 0.000 0.457 116 I N 1.272 121.852 120.570 0.016 0.000 2.252 116 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 116 I C 2.549 178.727 176.117 0.102 0.000 1.102 116 I CA 1.510 62.839 61.300 0.048 0.000 1.385 116 I CB -0.400 37.611 38.000 0.019 0.000 1.064 116 I HN 0.385 nan 8.210 nan 0.000 0.414 117 D N 1.245 121.733 120.400 0.148 0.000 2.123 117 D HA -0.280 4.360 4.640 -0.000 0.000 0.196 117 D C 2.262 178.769 176.300 0.345 0.000 0.992 117 D CA 1.617 55.793 54.000 0.293 0.000 0.833 117 D CB -0.004 41.040 40.800 0.407 0.000 0.954 117 D HN 0.303 nan 8.370 nan 0.000 0.455 118 M N 0.541 120.271 119.600 0.218 0.000 2.080 118 M HA -0.198 4.282 4.480 -0.000 0.000 0.260 118 M C 2.260 178.702 176.300 0.236 0.000 1.068 118 M CA 2.101 57.514 55.300 0.188 0.000 1.109 118 M CB -0.105 32.518 32.600 0.038 0.000 1.342 118 M HN 0.081 nan 8.290 nan 0.000 0.405 119 A N -0.618 122.316 122.820 0.190 0.000 1.972 119 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 119 A C 2.007 179.667 177.584 0.126 0.000 1.169 119 A CA 1.650 53.790 52.037 0.171 0.000 0.635 119 A CB -0.958 18.113 19.000 0.119 0.000 0.810 119 A HN 0.446 nan 8.150 nan 0.000 0.446 120 V N -2.326 117.661 119.914 0.120 0.000 2.358 120 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 120 V C 2.214 178.317 176.094 0.015 0.000 1.047 120 V CA 1.728 64.045 62.300 0.029 0.000 1.035 120 V CB -0.983 30.826 31.823 -0.023 0.000 0.658 120 V HN 0.803 nan 8.190 nan 0.000 0.452 121 W N 0.339 121.673 121.300 0.057 0.000 2.402 121 W HA -0.114 4.546 4.660 -0.000 0.000 0.286 121 W C 2.312 178.849 176.519 0.031 0.000 1.221 121 W CA 1.449 58.820 57.345 0.044 0.000 1.257 121 W CB -0.345 29.141 29.460 0.044 0.000 1.120 121 W HN 0.310 nan 8.180 nan 0.000 0.551 122 D N -0.095 120.461 120.400 0.260 0.000 2.097 122 D HA -0.178 4.462 4.640 -0.000 0.000 0.195 122 D C 2.208 178.574 176.300 0.111 0.000 0.989 122 D CA 2.076 56.179 54.000 0.171 0.000 0.827 122 D CB -0.439 40.489 40.800 0.213 0.000 0.966 122 D HN -0.011 nan 8.370 nan 0.000 0.456 123 A N -0.114 122.748 122.820 0.071 0.000 1.898 123 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 123 A C 2.566 180.158 177.584 0.013 0.000 1.181 123 A CA 1.550 53.598 52.037 0.019 0.000 0.620 123 A CB -0.854 18.136 19.000 -0.016 0.000 0.819 123 A HN 0.203 nan 8.150 nan 0.000 0.442 124 V N -0.057 119.857 119.914 0.000 0.000 2.287 124 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 124 V C 3.064 179.173 176.094 0.026 0.000 1.053 124 V CA 2.074 64.359 62.300 -0.026 0.000 1.027 124 V CB -1.218 30.533 31.823 -0.120 0.000 0.646 124 V HN 0.622 nan 8.190 nan 0.000 0.447 125 A N -0.465 122.403 122.820 0.080 0.000 1.902 125 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 125 A C 2.285 179.890 177.584 0.035 0.000 1.181 125 A CA 1.949 54.029 52.037 0.072 0.000 0.623 125 A CB -0.430 18.625 19.000 0.093 0.000 0.818 125 A HN 0.548 nan 8.150 nan 0.000 0.443 126 K N -0.433 119.990 120.400 0.038 0.000 2.057 126 K HA -0.042 4.278 4.320 -0.000 0.000 0.207 126 K C 1.752 178.362 176.600 0.017 0.000 1.049 126 K CA 1.520 57.824 56.287 0.028 0.000 0.931 126 K CB -0.352 32.171 32.500 0.039 0.000 0.714 126 K HN 0.527 nan 8.250 nan 0.000 0.440 127 I N 0.790 121.367 120.570 0.012 0.000 2.361 127 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 127 I C 2.203 178.321 176.117 0.002 0.000 1.133 127 I CA 0.941 62.243 61.300 0.004 0.000 1.413 127 I CB -0.223 37.773 38.000 -0.006 0.000 1.073 127 I HN 0.143 nan 8.210 nan 0.000 0.424 128 A N 0.301 123.124 122.820 0.004 0.000 2.208 128 A HA 0.240 4.560 4.320 -0.000 0.000 0.209 128 A C 1.808 179.391 177.584 -0.002 0.000 1.161 128 A CA 0.762 52.800 52.037 0.002 0.000 0.782 128 A CB -0.627 18.378 19.000 0.008 0.000 0.816 128 A HN 0.546 nan 8.150 nan 0.000 0.477 129 G N -0.404 108.396 108.800 -0.001 0.000 2.246 129 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.273 129 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.273 129 G C -0.031 174.857 174.900 -0.021 0.000 1.055 129 G CA 0.779 45.875 45.100 -0.006 0.000 0.851 129 G HN 0.623 nan 8.290 nan 0.000 0.500 130 K N -0.607 119.776 120.400 -0.029 0.000 2.482 130 K HA 0.523 4.843 4.320 -0.000 0.000 0.257 130 K C -3.030 173.514 176.600 -0.093 0.000 0.969 130 K CA -2.331 53.914 56.287 -0.071 0.000 0.842 130 K CB 2.630 35.082 32.500 -0.080 0.000 1.359 130 K HN -0.090 nan 8.250 nan 0.000 0.441 131 P HA 0.021 nan 4.420 nan 0.000 0.275 131 P C 0.456 177.632 177.300 -0.206 0.000 1.227 131 P CA -0.393 62.591 63.100 -0.194 0.000 0.781 131 P CB 0.551 32.011 31.700 -0.401 0.000 0.906 132 L N 4.793 125.992 121.223 -0.040 0.000 2.043 132 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 132 L C 1.886 178.756 176.870 0.000 0.000 1.075 132 L CA 2.024 56.874 54.840 0.017 0.000 0.752 132 L CB -1.587 40.506 42.059 0.056 0.000 0.891 132 L HN 0.445 nan 8.230 nan 0.000 0.432 133 F N -0.892 119.041 119.950 -0.028 0.000 2.269 133 F HA -0.108 4.419 4.527 -0.000 0.000 0.301 133 F C 2.271 178.064 175.800 -0.012 0.000 1.082 133 F CA 1.183 59.161 58.000 -0.037 0.000 1.360 133 F CB -0.833 38.145 39.000 -0.036 0.000 1.041 133 F HN -0.042 nan 8.300 nan 0.000 0.512 134 R N 0.207 120.291 120.500 -0.694 0.000 2.127 134 R HA 0.033 4.373 4.340 -0.000 0.000 0.217 134 R C 2.118 178.324 176.300 -0.158 0.000 1.074 134 R CA 0.998 56.832 56.100 -0.442 0.000 0.991 134 R CB -0.539 29.407 30.300 -0.590 0.000 0.895 134 R HN 0.352 nan 8.270 nan 0.000 0.450 135 L N 1.149 122.304 121.223 -0.114 0.000 2.093 135 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 135 L C 1.870 178.787 176.870 0.078 0.000 1.085 135 L CA 1.542 56.388 54.840 0.009 0.000 0.755 135 L CB -0.267 41.830 42.059 0.064 0.000 0.904 135 L HN 0.117 nan 8.230 nan 0.000 0.435 136 L N -0.832 120.426 121.223 0.058 0.000 2.027 136 L HA -0.174 4.166 4.340 -0.000 0.000 0.206 136 L C 2.674 179.599 176.870 0.092 0.000 1.074 136 L CA 1.223 56.102 54.840 0.066 0.000 0.745 136 L CB -0.855 41.166 42.059 -0.063 0.000 0.898 136 L HN 0.368 nan 8.230 nan 0.000 0.433 137 A N -0.239 122.613 122.820 0.054 0.000 1.908 137 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 137 A C 2.140 179.785 177.584 0.102 0.000 1.181 137 A CA 1.912 53.994 52.037 0.074 0.000 0.627 137 A CB -0.515 18.529 19.000 0.074 0.000 0.818 137 A HN 0.453 nan 8.150 nan 0.000 0.445 138 E N -0.679 119.567 120.200 0.077 0.000 2.038 138 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 138 E C 2.333 178.993 176.600 0.100 0.000 1.000 138 E CA 1.314 57.756 56.400 0.071 0.000 0.803 138 E CB -0.161 29.565 29.700 0.043 0.000 0.750 138 E HN 0.553 nan 8.360 nan 0.000 0.448 139 R N -0.358 120.229 120.500 0.145 0.000 2.159 139 R HA -0.125 4.215 4.340 -0.000 0.000 0.237 139 R C 1.608 177.966 176.300 0.097 0.000 1.131 139 R CA 1.160 57.345 56.100 0.142 0.000 0.982 139 R CB -0.170 30.259 30.300 0.216 0.000 0.868 139 R HN 0.251 nan 8.270 nan 0.000 0.453 140 H N -1.287 117.810 119.070 0.045 0.000 2.551 140 H HA 0.219 4.775 4.556 -0.000 0.000 0.271 140 H C 0.888 176.235 175.328 0.033 0.000 0.984 140 H CA 0.518 56.589 56.048 0.038 0.000 1.164 140 H CB 0.760 30.546 29.762 0.039 0.000 1.437 140 H HN 0.374 nan 8.280 nan 0.000 0.550 141 G N 0.969 109.843 108.800 0.124 0.000 2.249 141 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.273 141 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.273 141 G C 0.265 175.216 174.900 0.084 0.000 1.036 141 G CA 0.599 45.746 45.100 0.080 0.000 0.824 141 G HN 0.519 nan 8.290 nan 0.000 0.504 142 V N -4.891 115.083 119.914 0.100 0.000 3.126 142 V HA 0.929 5.049 4.120 -0.000 0.000 0.314 142 V C -0.164 175.973 176.094 0.072 0.000 1.138 142 V CA -1.963 60.386 62.300 0.083 0.000 1.034 142 V CB 2.087 33.963 31.823 0.089 0.000 1.075 142 V HN 0.065 nan 8.190 nan 0.000 0.442 143 K N 1.871 122.310 120.400 0.065 0.000 2.211 143 K HA 0.733 5.053 4.320 -0.000 0.000 0.275 143 K C 0.139 176.789 176.600 0.084 0.000 1.024 143 K CA 0.053 56.380 56.287 0.067 0.000 0.887 143 K CB 1.422 33.955 32.500 0.056 0.000 1.084 143 K HN 1.116 nan 8.250 nan 0.000 0.463 144 A N 3.215 126.102 122.820 0.113 0.000 2.366 144 A HA 0.183 4.503 4.320 -0.000 0.000 0.249 144 A C 0.191 177.861 177.584 0.144 0.000 1.084 144 A CA -0.180 51.961 52.037 0.173 0.000 0.794 144 A CB 0.119 19.309 19.000 0.317 0.000 1.034 144 A HN 0.690 nan 8.150 nan 0.000 0.491 145 N N 1.381 120.144 118.700 0.105 0.000 2.576 145 N HA 0.296 5.036 4.740 -0.000 0.000 0.269 145 N C -2.217 173.261 175.510 -0.054 0.000 1.058 145 N CA -1.907 51.169 53.050 0.044 0.000 0.860 145 N CB 1.886 40.396 38.487 0.040 0.000 1.249 145 N HN 0.262 nan 8.380 nan 0.000 0.525 146 P HA -0.081 nan 4.420 nan 0.000 0.228 146 P C 0.073 177.253 177.300 -0.199 0.000 1.151 146 P CA 0.457 63.380 63.100 -0.295 0.000 0.770 146 P CB 0.531 32.133 31.700 -0.163 0.000 0.786 147 R N 0.962 121.412 120.500 -0.084 0.000 2.210 147 R HA 0.375 4.715 4.340 -0.000 0.000 0.338 147 R C -1.070 175.259 176.300 0.048 0.000 1.062 147 R CA -0.216 55.871 56.100 -0.022 0.000 0.902 147 R CB 0.323 30.621 30.300 -0.003 0.000 1.050 147 R HN -0.153 nan 8.270 nan 0.000 0.461 148 V N 6.370 126.299 119.914 0.025 0.000 2.495 148 V HA 0.288 4.408 4.120 -0.000 0.000 0.298 148 V C -0.299 175.799 176.094 0.008 0.000 1.031 148 V CA -0.901 61.423 62.300 0.039 0.000 0.871 148 V CB 1.445 33.233 31.823 -0.059 0.000 0.988 148 V HN 0.644 nan 8.190 nan 0.000 0.432 149 F N 6.516 126.376 119.950 -0.151 0.000 2.443 149 F HA 0.609 5.136 4.527 -0.000 0.000 0.353 149 F C -0.011 175.661 175.800 -0.212 0.000 1.101 149 F CA -0.078 57.646 58.000 -0.460 0.000 1.226 149 F CB 0.964 39.758 39.000 -0.343 0.000 1.140 149 F HN 0.395 nan 8.300 nan 0.000 0.557 150 V N 4.466 123.688 119.914 -1.154 0.000 2.925 150 V HA 0.627 4.747 4.120 -0.000 0.000 0.311 150 V C -1.535 174.054 176.094 -0.842 0.000 1.104 150 V CA -1.038 60.781 62.300 -0.803 0.000 0.954 150 V CB 1.112 32.789 31.823 -0.244 0.000 1.022 150 V HN 0.902 nan 8.190 nan 0.000 0.427 151 Y N 1.564 121.459 120.300 -0.674 0.000 2.536 151 Y HA 0.970 5.520 4.550 -0.000 0.000 0.347 151 Y C -0.112 175.403 175.900 -0.643 0.000 1.000 151 Y CA -1.069 56.708 58.100 -0.537 0.000 1.051 151 Y CB 1.771 39.912 38.460 -0.531 0.000 1.259 151 Y HN 1.049 nan 8.280 nan 0.000 0.468 152 A N 2.121 124.427 122.820 -0.857 0.000 2.289 152 A HA 0.804 5.124 4.320 -0.000 0.000 0.298 152 A C -0.472 176.641 177.584 -0.786 0.000 1.208 152 A CA -0.196 51.072 52.037 -1.282 0.000 0.845 152 A CB -0.333 17.554 19.000 -1.855 0.000 1.125 152 A HN 1.287 nan 8.150 nan 0.000 0.517 153 A N 2.167 124.555 122.820 -0.721 0.000 2.304 153 A HA 0.889 5.209 4.320 -0.000 0.000 0.323 153 A C 0.571 178.076 177.584 -0.131 0.000 1.195 153 A CA 0.250 52.113 52.037 -0.290 0.000 0.826 153 A CB 0.999 19.886 19.000 -0.188 0.000 1.184 153 A HN 2.115 nan 8.150 nan 0.000 0.496 154 G N 0.204 108.981 108.800 -0.039 0.000 2.725 154 G HA2 0.530 4.490 3.960 -0.000 0.000 0.098 154 G HA3 0.530 4.490 3.960 -0.000 0.000 0.098 154 G C 0.667 175.520 174.900 -0.080 0.000 1.188 154 G CA 0.701 45.874 45.100 0.121 0.000 1.237 154 G HN 2.212 nan 8.290 nan 0.000 0.596 155 G N -0.409 108.404 108.800 0.022 0.000 2.323 155 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.292 155 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.292 155 G C 0.133 174.884 174.900 -0.248 0.000 1.040 155 G CA 0.971 46.008 45.100 -0.106 0.000 0.942 155 G HN 0.783 nan 8.290 nan 0.000 0.506 156 Y N -1.438 118.793 120.300 -0.115 0.000 2.298 156 Y HA 0.546 5.096 4.550 -0.000 0.000 0.329 156 Y C 1.070 176.899 175.900 -0.117 0.000 1.293 156 Y CA -0.621 57.413 58.100 -0.110 0.000 1.388 156 Y CB 0.573 39.023 38.460 -0.016 0.000 1.309 156 Y HN 0.229 nan 8.280 nan 0.000 0.544 157 Y N 0.833 121.310 120.300 0.295 0.000 2.319 157 Y HA 0.267 4.817 4.550 -0.000 0.000 0.328 157 Y C -0.573 175.496 175.900 0.281 0.000 1.133 157 Y CA -0.267 57.968 58.100 0.225 0.000 1.265 157 Y CB 0.303 38.869 38.460 0.177 0.000 1.218 157 Y HN 0.443 nan 8.280 nan 0.000 0.508 158 Y N 3.661 124.091 120.300 0.218 0.000 2.470 158 Y HA 0.451 5.001 4.550 -0.000 0.000 0.341 158 Y C -2.728 173.236 175.900 0.107 0.000 1.021 158 Y CA -3.124 55.055 58.100 0.131 0.000 1.025 158 Y CB 1.954 40.457 38.460 0.072 0.000 1.266 158 Y HN 0.424 nan 8.280 nan 0.000 0.448 159 P HA 0.158 nan 4.420 nan 0.000 0.258 159 P C 0.419 177.765 177.300 0.076 0.000 1.187 159 P CA 2.207 65.249 63.100 -0.096 0.000 0.767 159 P CB 0.314 31.867 31.700 -0.244 0.000 0.770 160 G N 2.468 111.330 108.800 0.102 0.000 2.179 160 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 160 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 160 G C 0.252 175.239 174.900 0.145 0.000 0.977 160 G CA -0.037 45.132 45.100 0.115 0.000 0.641 160 G HN 0.653 nan 8.290 nan 0.000 0.533 161 K N 0.965 121.484 120.400 0.199 0.000 2.284 161 K HA 0.543 4.863 4.320 -0.000 0.000 0.287 161 K C 1.051 177.716 176.600 0.108 0.000 1.081 161 K CA 0.196 56.576 56.287 0.155 0.000 0.910 161 K CB 0.065 32.686 32.500 0.202 0.000 1.088 161 K HN 0.276 nan 8.250 nan 0.000 0.478 162 G N 2.767 111.606 108.800 0.066 0.000 2.642 162 G HA2 0.202 4.162 3.960 -0.000 0.000 0.291 162 G HA3 0.202 4.162 3.960 -0.000 0.000 0.291 162 G C 0.813 175.731 174.900 0.030 0.000 1.345 162 G CA -0.744 44.388 45.100 0.053 0.000 1.043 162 G HN 0.628 nan 8.290 nan 0.000 0.528 163 L N 0.195 121.432 121.223 0.024 0.000 2.042 163 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 163 L C 3.307 180.172 176.870 -0.008 0.000 1.076 163 L CA 1.917 56.761 54.840 0.008 0.000 0.749 163 L CB -0.497 41.568 42.059 0.010 0.000 0.893 163 L HN 0.649 nan 8.230 nan 0.000 0.432 164 S N -0.318 115.378 115.700 -0.006 0.000 2.370 164 S HA -0.239 4.231 4.470 -0.000 0.000 0.226 164 S C 1.954 176.535 174.600 -0.032 0.000 1.033 164 S CA 1.355 59.544 58.200 -0.017 0.000 1.011 164 S CB -0.493 62.701 63.200 -0.011 0.000 0.852 164 S HN 0.337 nan 8.310 nan 0.000 0.457 165 M N 0.792 120.376 119.600 -0.028 0.000 2.175 165 M HA 0.109 4.589 4.480 -0.000 0.000 0.264 165 M C 2.352 178.610 176.300 -0.069 0.000 1.063 165 M CA 1.103 56.373 55.300 -0.049 0.000 1.119 165 M CB -0.422 32.157 32.600 -0.036 0.000 1.377 165 M HN 0.323 nan 8.290 nan 0.000 0.415 166 L N -0.086 121.107 121.223 -0.049 0.000 2.017 166 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 166 L C 2.568 179.392 176.870 -0.076 0.000 1.073 166 L CA 1.633 56.437 54.840 -0.060 0.000 0.745 166 L CB -0.277 41.757 42.059 -0.043 0.000 0.894 166 L HN 0.257 nan 8.230 nan 0.000 0.432 167 R N -0.635 119.828 120.500 -0.061 0.000 2.091 167 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 167 R C 2.193 178.439 176.300 -0.089 0.000 1.136 167 R CA 1.415 57.477 56.100 -0.062 0.000 0.959 167 R CB -0.675 29.599 30.300 -0.043 0.000 0.856 167 R HN 0.526 nan 8.270 nan 0.000 0.437 168 G N 0.350 109.092 108.800 -0.098 0.000 2.418 168 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.217 168 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.217 168 G C 1.217 175.997 174.900 -0.201 0.000 1.158 168 G CA 0.692 45.718 45.100 -0.123 0.000 0.771 168 G HN 0.406 nan 8.290 nan 0.000 0.545 169 E N -0.339 119.720 120.200 -0.236 0.000 2.058 169 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 169 E C 2.545 178.774 176.600 -0.618 0.000 0.997 169 E CA 1.105 57.259 56.400 -0.409 0.000 0.801 169 E CB -0.122 29.405 29.700 -0.289 0.000 0.746 169 E HN 0.257 nan 8.360 nan 0.000 0.450 170 M N 0.431 119.846 119.600 -0.308 0.000 2.117 170 M HA -0.122 4.358 4.480 -0.000 0.000 0.262 170 M C 2.378 178.597 176.300 -0.135 0.000 1.065 170 M CA 1.285 56.493 55.300 -0.154 0.000 1.114 170 M CB -1.155 31.425 32.600 -0.033 0.000 1.361 170 M HN 0.028 nan 8.290 nan 0.000 0.408 171 R N 0.842 121.262 120.500 -0.133 0.000 2.096 171 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 171 R C 2.159 178.399 176.300 -0.100 0.000 1.127 171 R CA 1.948 57.999 56.100 -0.082 0.000 0.968 171 R CB -1.379 28.878 30.300 -0.073 0.000 0.861 171 R HN 0.409 nan 8.270 nan 0.000 0.440 172 G N -0.890 107.779 108.800 -0.219 0.000 2.442 172 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 172 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 172 G C 0.910 175.752 174.900 -0.097 0.000 1.141 172 G CA 0.982 45.952 45.100 -0.217 0.000 0.763 172 G HN 0.371 nan 8.290 nan 0.000 0.554 173 Y N -0.077 120.229 120.300 0.010 0.000 2.263 173 Y HA 0.131 4.681 4.550 -0.000 0.000 0.292 173 Y C 2.640 178.642 175.900 0.168 0.000 1.130 173 Y CA -0.043 58.103 58.100 0.077 0.000 1.179 173 Y CB -0.786 37.629 38.460 -0.076 0.000 0.998 173 Y HN 0.045 nan 8.280 nan 0.000 0.532 174 L N 0.143 121.494 121.223 0.213 0.000 2.083 174 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 174 L C 1.826 178.751 176.870 0.091 0.000 1.083 174 L CA 1.616 56.539 54.840 0.138 0.000 0.752 174 L CB -0.839 41.262 42.059 0.070 0.000 0.899 174 L HN 0.137 nan 8.230 nan 0.000 0.433 175 D N -0.478 119.961 120.400 0.065 0.000 2.218 175 D HA -0.148 4.492 4.640 -0.000 0.000 0.204 175 D C 1.949 178.274 176.300 0.042 0.000 0.976 175 D CA 0.911 54.932 54.000 0.034 0.000 0.853 175 D CB -0.043 40.763 40.800 0.010 0.000 0.939 175 D HN 0.302 nan 8.370 nan 0.000 0.481 176 R N -0.710 119.849 120.500 0.098 0.000 2.334 176 R HA 0.224 4.564 4.340 -0.000 0.000 0.220 176 R C 1.100 177.352 176.300 -0.080 0.000 0.917 176 R CA 0.421 56.560 56.100 0.065 0.000 1.073 176 R CB 0.578 30.994 30.300 0.192 0.000 1.056 176 R HN 0.158 nan 8.270 nan 0.000 0.506 177 G N -0.304 108.459 108.800 -0.061 0.000 2.176 177 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.232 177 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.232 177 G C -0.223 174.562 174.900 -0.192 0.000 0.986 177 G CA -0.482 44.525 45.100 -0.155 0.000 0.643 177 G HN 0.241 nan 8.290 nan 0.000 0.522 178 Y N 1.403 121.692 120.300 -0.018 0.000 2.346 178 Y HA 0.383 4.933 4.550 -0.000 0.000 0.330 178 Y C 1.580 177.459 175.900 -0.034 0.000 1.178 178 Y CA 0.518 58.586 58.100 -0.054 0.000 1.331 178 Y CB 0.639 39.056 38.460 -0.071 0.000 1.253 178 Y HN 0.364 nan 8.280 nan 0.000 0.529 179 N N -0.465 118.304 118.700 0.115 0.000 2.197 179 N HA 0.304 5.044 4.740 -0.000 0.000 0.228 179 N C -1.429 174.058 175.510 -0.040 0.000 1.212 179 N CA -0.013 53.066 53.050 0.048 0.000 0.883 179 N CB 0.705 39.225 38.487 0.055 0.000 1.107 179 N HN 0.246 nan 8.380 nan 0.000 0.519 180 V N 1.516 121.391 119.914 -0.064 0.000 2.711 180 V HA 0.377 4.497 4.120 -0.000 0.000 0.304 180 V C -0.507 175.466 176.094 -0.202 0.000 1.097 180 V CA -0.867 61.273 62.300 -0.266 0.000 0.906 180 V CB 1.780 33.322 31.823 -0.470 0.000 1.015 180 V HN 0.162 nan 8.190 nan 0.000 0.427 181 V N 1.823 121.607 119.914 -0.217 0.000 2.914 181 V HA 0.824 4.944 4.120 -0.000 0.000 0.314 181 V C -0.733 175.238 176.094 -0.204 0.000 1.084 181 V CA -0.957 61.237 62.300 -0.176 0.000 0.963 181 V CB 2.102 33.891 31.823 -0.057 0.000 1.025 181 V HN 0.863 nan 8.190 nan 0.000 0.432 182 K N 3.312 123.622 120.400 -0.149 0.000 2.371 182 K HA 0.849 5.169 4.320 -0.000 0.000 0.251 182 K C -0.875 175.665 176.600 -0.100 0.000 0.934 182 K CA -0.887 55.320 56.287 -0.133 0.000 0.798 182 K CB 2.154 34.636 32.500 -0.029 0.000 1.204 182 K HN 1.057 nan 8.250 nan 0.000 0.427 183 M N 1.198 120.735 119.600 -0.104 0.000 2.619 183 M HA 0.676 5.156 4.480 -0.000 0.000 0.297 183 M C -1.167 175.031 176.300 -0.171 0.000 1.229 183 M CA -0.994 54.212 55.300 -0.158 0.000 0.860 183 M CB 2.056 34.579 32.600 -0.129 0.000 1.741 183 M HN 0.516 nan 8.290 nan 0.000 0.462 184 A N 2.611 125.250 122.820 -0.302 0.000 2.316 184 A HA 0.858 5.178 4.320 -0.000 0.000 0.284 184 A C -0.343 177.180 177.584 -0.101 0.000 1.115 184 A CA -0.738 51.169 52.037 -0.215 0.000 0.812 184 A CB 0.271 19.087 19.000 -0.305 0.000 1.064 184 A HN 0.982 nan 8.150 nan 0.000 0.489 185 I N -2.901 117.729 120.570 0.100 0.000 3.191 185 I HA 0.857 5.027 4.170 -0.000 0.000 0.313 185 I C 0.678 176.956 176.117 0.270 0.000 1.193 185 I CA -0.460 60.998 61.300 0.263 0.000 0.968 185 I CB 1.916 40.071 38.000 0.258 0.000 1.262 185 I HN 1.391 nan 8.210 nan 0.000 0.456 186 G N 1.257 110.270 108.800 0.355 0.000 2.176 186 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.253 186 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.253 186 G C 0.735 175.759 174.900 0.207 0.000 0.979 186 G CA 0.209 45.484 45.100 0.290 0.000 0.641 186 G HN 1.452 nan 8.290 nan 0.000 0.530 187 G N -0.621 108.265 108.800 0.144 0.000 3.337 187 G HA2 0.764 4.724 3.960 -0.000 0.000 0.246 187 G HA3 0.764 4.724 3.960 -0.000 0.000 0.246 187 G C 0.371 174.938 174.900 -0.556 0.000 1.131 187 G CA 1.555 46.404 45.100 -0.418 0.000 0.773 187 G HN 1.748 nan 8.290 nan 0.000 0.544 188 A N -0.435 122.323 122.820 -0.103 0.000 2.588 188 A HA 0.818 5.138 4.320 -0.000 0.000 0.290 188 A C -3.081 174.588 177.584 0.142 0.000 1.136 188 A CA -1.189 50.846 52.037 -0.002 0.000 0.681 188 A CB 0.571 19.619 19.000 0.080 0.000 1.282 188 A HN -0.013 nan 8.150 nan 0.000 0.421 189 P HA 0.165 nan 4.420 nan 0.000 0.267 189 P C 1.038 178.405 177.300 0.112 0.000 1.200 189 P CA -0.154 63.004 63.100 0.096 0.000 0.772 189 P CB 0.449 32.178 31.700 0.048 0.000 0.855 190 I N 1.898 122.489 120.570 0.034 0.000 2.248 190 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 190 I C 1.537 177.578 176.117 -0.127 0.000 1.107 190 I CA 1.747 62.925 61.300 -0.204 0.000 1.373 190 I CB 0.132 37.808 38.000 -0.540 0.000 1.055 190 I HN 0.342 nan 8.210 nan 0.000 0.418 191 E N 0.269 120.434 120.200 -0.058 0.000 2.274 191 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 191 E C 1.846 178.457 176.600 0.017 0.000 0.996 191 E CA 0.769 57.154 56.400 -0.025 0.000 0.840 191 E CB -0.067 29.623 29.700 -0.015 0.000 0.772 191 E HN 0.644 nan 8.360 nan 0.000 0.491 192 E N 0.679 120.907 120.200 0.048 0.000 2.076 192 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 192 E C 1.212 177.876 176.600 0.106 0.000 0.979 192 E CA 0.685 57.132 56.400 0.078 0.000 0.807 192 E CB 0.245 30.004 29.700 0.099 0.000 0.761 192 E HN 0.050 nan 8.360 nan 0.000 0.454 193 D N 0.352 120.840 120.400 0.145 0.000 2.178 193 D HA -0.169 4.471 4.640 -0.000 0.000 0.201 193 D C 1.938 178.280 176.300 0.069 0.000 0.980 193 D CA 0.641 54.750 54.000 0.181 0.000 0.842 193 D CB -0.210 40.794 40.800 0.340 0.000 0.948 193 D HN 0.149 nan 8.370 nan 0.000 0.472 194 R N 0.141 120.653 120.500 0.020 0.000 2.091 194 R HA -0.129 4.211 4.340 -0.000 0.000 0.238 194 R C 2.011 178.283 176.300 -0.046 0.000 1.136 194 R CA 1.056 57.136 56.100 -0.033 0.000 0.959 194 R CB -0.031 30.274 30.300 0.007 0.000 0.856 194 R HN 0.061 nan 8.270 nan 0.000 0.437 195 M N 0.354 119.954 119.600 0.000 0.000 2.117 195 M HA -0.127 4.353 4.480 -0.000 0.000 0.262 195 M C 2.168 178.462 176.300 -0.011 0.000 1.065 195 M CA 1.616 56.918 55.300 0.003 0.000 1.114 195 M CB -0.930 31.685 32.600 0.025 0.000 1.361 195 M HN 0.159 nan 8.290 nan 0.000 0.408 196 R N 0.007 120.510 120.500 0.005 0.000 2.081 196 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 196 R C 2.241 178.509 176.300 -0.054 0.000 1.131 196 R CA 1.207 57.303 56.100 -0.007 0.000 0.960 196 R CB -0.444 29.868 30.300 0.020 0.000 0.856 196 R HN 0.342 nan 8.270 nan 0.000 0.436 197 I N 0.866 121.382 120.570 -0.090 0.000 2.202 197 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 197 I C 2.064 178.061 176.117 -0.201 0.000 1.091 197 I CA 1.422 62.621 61.300 -0.169 0.000 1.368 197 I CB -0.299 37.535 38.000 -0.278 0.000 1.058 197 I HN 0.218 nan 8.210 nan 0.000 0.410 198 E N 1.087 121.168 120.200 -0.200 0.000 2.110 198 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 198 E C 2.352 178.920 176.600 -0.054 0.000 0.988 198 E CA 1.221 57.548 56.400 -0.122 0.000 0.804 198 E CB -0.185 29.488 29.700 -0.045 0.000 0.745 198 E HN 0.515 nan 8.360 nan 0.000 0.458 199 A N 1.233 124.026 122.820 -0.045 0.000 1.865 199 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 199 A C 2.562 180.126 177.584 -0.033 0.000 1.191 199 A CA 1.441 53.462 52.037 -0.027 0.000 0.623 199 A CB -0.814 18.173 19.000 -0.022 0.000 0.826 199 A HN 0.118 nan 8.150 nan 0.000 0.444 200 V N -0.388 119.498 119.914 -0.047 0.000 2.295 200 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 200 V C 2.496 178.570 176.094 -0.034 0.000 1.049 200 V CA 1.830 64.104 62.300 -0.043 0.000 1.024 200 V CB -0.821 30.970 31.823 -0.053 0.000 0.648 200 V HN 0.477 nan 8.190 nan 0.000 0.447 201 L N 0.109 121.306 121.223 -0.043 0.000 2.042 201 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 201 L C 2.486 179.358 176.870 0.004 0.000 1.076 201 L CA 2.185 57.015 54.840 -0.017 0.000 0.749 201 L CB -0.899 41.148 42.059 -0.021 0.000 0.893 201 L HN 0.498 nan 8.230 nan 0.000 0.432 202 E N -0.951 119.249 120.200 0.001 0.000 2.072 202 E HA -0.270 4.080 4.350 -0.000 0.000 0.191 202 E C 2.052 178.653 176.600 0.002 0.000 0.985 202 E CA 1.062 57.467 56.400 0.009 0.000 0.801 202 E CB 0.066 29.770 29.700 0.008 0.000 0.750 202 E HN 0.427 nan 8.360 nan 0.000 0.452 203 E N 1.099 121.294 120.200 -0.007 0.000 2.058 203 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 203 E C 2.095 178.692 176.600 -0.006 0.000 0.997 203 E CA 1.993 58.386 56.400 -0.011 0.000 0.801 203 E CB -0.458 29.229 29.700 -0.023 0.000 0.746 203 E HN 0.597 nan 8.360 nan 0.000 0.450 204 I N -2.978 117.590 120.570 -0.004 0.000 2.928 204 I HA 0.189 4.359 4.170 -0.000 0.000 0.266 204 I C 1.640 177.762 176.117 0.009 0.000 1.234 204 I CA 0.654 61.956 61.300 0.003 0.000 1.483 204 I CB -0.864 37.137 38.000 0.002 0.000 1.097 204 I HN 0.216 nan 8.210 nan 0.000 0.455 205 G N 2.870 111.677 108.800 0.012 0.000 2.672 205 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.324 205 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.324 205 G C 0.732 175.645 174.900 0.022 0.000 1.286 205 G CA 0.959 46.070 45.100 0.018 0.000 1.004 205 G HN 0.548 nan 8.290 nan 0.000 0.548 206 K N 1.011 121.423 120.400 0.020 0.000 2.387 206 K HA 0.164 4.484 4.320 -0.000 0.000 0.198 206 K C 0.961 177.574 176.600 0.020 0.000 1.022 206 K CA 0.450 56.751 56.287 0.023 0.000 1.128 206 K CB 0.353 32.866 32.500 0.022 0.000 0.853 206 K HN 0.396 nan 8.250 nan 0.000 0.523 207 D N 0.745 121.155 120.400 0.017 0.000 2.348 207 D HA 0.057 4.697 4.640 -0.000 0.000 0.211 207 D C 0.290 176.599 176.300 0.015 0.000 0.998 207 D CA 0.378 54.388 54.000 0.017 0.000 0.873 207 D CB 0.651 41.460 40.800 0.016 0.000 0.925 207 D HN 0.171 nan 8.370 nan 0.000 0.524 208 A N 0.035 122.860 122.820 0.008 0.000 2.601 208 A HA 0.505 4.825 4.320 -0.000 0.000 0.291 208 A C -1.318 176.250 177.584 -0.027 0.000 1.075 208 A CA -0.727 51.302 52.037 -0.013 0.000 0.671 208 A CB 1.532 20.529 19.000 -0.005 0.000 1.277 208 A HN -0.104 nan 8.150 nan 0.000 0.417 209 Q N -0.296 119.453 119.800 -0.084 0.000 2.257 209 Q HA 0.630 4.970 4.340 -0.000 0.000 0.262 209 Q C -1.340 174.592 176.000 -0.114 0.000 0.997 209 Q CA -0.870 54.895 55.803 -0.063 0.000 0.873 209 Q CB 2.518 31.229 28.738 -0.044 0.000 1.312 209 Q HN 0.637 nan 8.270 nan 0.000 0.450 210 L N 1.270 122.469 121.223 -0.040 0.000 2.317 210 L HA 0.761 5.101 4.340 -0.000 0.000 0.281 210 L C -1.412 175.412 176.870 -0.077 0.000 1.024 210 L CA -0.191 54.604 54.840 -0.075 0.000 0.810 210 L CB 1.474 43.509 42.059 -0.040 0.000 1.240 210 L HN 0.706 nan 8.230 nan 0.000 0.427 211 A N 4.685 127.374 122.820 -0.218 0.000 2.350 211 A HA 0.806 5.126 4.320 -0.000 0.000 0.324 211 A C -1.003 176.507 177.584 -0.124 0.000 1.118 211 A CA -0.257 51.584 52.037 -0.327 0.000 0.783 211 A CB 1.578 19.929 19.000 -1.082 0.000 1.236 211 A HN 1.076 nan 8.150 nan 0.000 0.457 212 V N -0.701 119.253 119.914 0.067 0.000 2.715 212 V HA 0.808 4.928 4.120 -0.000 0.000 0.310 212 V C -1.100 175.155 176.094 0.268 0.000 1.054 212 V CA -0.757 61.623 62.300 0.134 0.000 0.928 212 V CB 1.967 33.870 31.823 0.134 0.000 1.007 212 V HN 0.792 nan 8.190 nan 0.000 0.437 213 D N 2.401 122.908 120.400 0.178 0.000 2.593 213 D HA 0.696 5.336 4.640 -0.000 0.000 0.251 213 D C 0.380 176.716 176.300 0.060 0.000 1.140 213 D CA 0.029 54.128 54.000 0.166 0.000 0.855 213 D CB 2.282 43.173 40.800 0.151 0.000 1.267 213 D HN 0.852 nan 8.370 nan 0.000 0.532 214 A N 3.588 126.386 122.820 -0.037 0.000 2.238 214 A HA 0.099 4.419 4.320 -0.000 0.000 0.210 214 A C 0.948 178.365 177.584 -0.278 0.000 1.179 214 A CA -0.034 51.797 52.037 -0.342 0.000 0.827 214 A CB -0.222 18.287 19.000 -0.818 0.000 0.856 214 A HN 0.749 nan 8.150 nan 0.000 0.488 215 N N -1.081 117.565 118.700 -0.091 0.000 2.708 215 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 215 N C 0.848 176.341 175.510 -0.029 0.000 1.097 215 N CA 1.247 54.292 53.050 -0.008 0.000 0.710 215 N CB -1.534 37.023 38.487 0.116 0.000 1.032 215 N HN 1.327 nan 8.380 nan 0.000 0.551 216 G N -0.180 108.550 108.800 -0.118 0.000 2.203 216 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.263 216 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.263 216 G C 0.903 175.852 174.900 0.081 0.000 1.012 216 G CA 1.132 46.190 45.100 -0.070 0.000 0.749 216 G HN 0.568 nan 8.290 nan 0.000 0.512 217 R N -0.701 119.779 120.500 -0.032 0.000 2.161 217 R HA 0.278 4.618 4.340 -0.000 0.000 0.213 217 R C 0.999 177.351 176.300 0.087 0.000 1.055 217 R CA 0.290 56.401 56.100 0.018 0.000 0.996 217 R CB -0.213 30.031 30.300 -0.094 0.000 0.901 217 R HN 0.261 nan 8.270 nan 0.000 0.456 218 F N 1.814 121.767 119.950 0.005 0.000 2.429 218 F HA 0.190 4.717 4.527 -0.000 0.000 0.348 218 F C 0.785 176.587 175.800 0.003 0.000 1.109 218 F CA -1.593 56.400 58.000 -0.012 0.000 1.232 218 F CB -0.150 38.834 39.000 -0.027 0.000 1.157 218 F HN 0.120 nan 8.300 nan 0.000 0.564 219 N N 1.733 120.558 118.700 0.208 0.000 2.405 219 N HA 0.188 4.928 4.740 -0.000 0.000 0.269 219 N C 0.832 176.395 175.510 0.090 0.000 1.249 219 N CA -0.675 52.440 53.050 0.107 0.000 0.974 219 N CB 0.078 38.603 38.487 0.064 0.000 1.204 219 N HN 0.461 nan 8.380 nan 0.000 0.565 220 L N -0.132 121.122 121.223 0.052 0.000 1.990 220 L HA -0.146 4.194 4.340 -0.000 0.000 0.213 220 L C 1.901 178.764 176.870 -0.011 0.000 1.072 220 L CA 1.935 56.794 54.840 0.032 0.000 0.755 220 L CB -0.956 41.118 42.059 0.026 0.000 0.889 220 L HN 0.681 nan 8.230 nan 0.000 0.432 221 E N -1.339 118.846 120.200 -0.025 0.000 2.077 221 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 221 E C 1.944 178.500 176.600 -0.072 0.000 0.989 221 E CA 1.798 58.160 56.400 -0.063 0.000 0.800 221 E CB -0.235 29.439 29.700 -0.044 0.000 0.746 221 E HN 0.571 nan 8.360 nan 0.000 0.452 222 T N 0.145 114.663 114.554 -0.060 0.000 2.821 222 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 222 T C 1.886 176.470 174.700 -0.192 0.000 1.046 222 T CA 1.103 63.114 62.100 -0.148 0.000 1.139 222 T CB -0.459 68.286 68.868 -0.206 0.000 0.871 222 T HN 0.355 nan 8.240 nan 0.000 0.454 223 G N 1.390 110.177 108.800 -0.022 0.000 2.440 223 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.218 223 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.218 223 G C 1.512 176.506 174.900 0.156 0.000 1.154 223 G CA 0.504 45.706 45.100 0.170 0.000 0.767 223 G HN 0.489 nan 8.290 nan 0.000 0.552 224 I N 1.200 121.764 120.570 -0.009 0.000 2.252 224 I HA -0.114 4.056 4.170 -0.000 0.000 0.245 224 I C 3.284 179.366 176.117 -0.059 0.000 1.102 224 I CA 0.799 62.017 61.300 -0.136 0.000 1.385 224 I CB -0.221 37.483 38.000 -0.493 0.000 1.064 224 I HN 0.246 nan 8.210 nan 0.000 0.414 225 A N 0.362 123.145 122.820 -0.062 0.000 1.883 225 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 225 A C 2.183 179.739 177.584 -0.046 0.000 1.186 225 A CA 1.617 53.614 52.037 -0.067 0.000 0.624 225 A CB -1.087 17.855 19.000 -0.097 0.000 0.822 225 A HN 0.401 nan 8.150 nan 0.000 0.444 226 Y N -0.211 120.016 120.300 -0.121 0.000 2.242 226 Y HA -0.077 4.473 4.550 -0.000 0.000 0.291 226 Y C 2.878 178.756 175.900 -0.037 0.000 1.137 226 Y CA 0.975 59.026 58.100 -0.081 0.000 1.181 226 Y CB -0.237 38.177 38.460 -0.076 0.000 0.989 226 Y HN 0.358 nan 8.280 nan 0.000 0.527 227 A N 0.297 123.248 122.820 0.218 0.000 1.908 227 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 227 A C 2.129 179.893 177.584 0.301 0.000 1.181 227 A CA 1.964 54.171 52.037 0.283 0.000 0.627 227 A CB -0.493 18.778 19.000 0.452 0.000 0.818 227 A HN 0.405 nan 8.150 nan 0.000 0.445 228 K N -1.157 119.358 120.400 0.191 0.000 2.097 228 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 228 K C 2.162 178.820 176.600 0.097 0.000 1.049 228 K CA 1.390 57.764 56.287 0.145 0.000 0.933 228 K CB -0.229 32.324 32.500 0.088 0.000 0.717 228 K HN 0.534 nan 8.250 nan 0.000 0.442 229 M N 0.663 120.300 119.600 0.061 0.000 2.123 229 M HA -0.097 4.383 4.480 -0.000 0.000 0.263 229 M C 1.764 178.178 176.300 0.190 0.000 1.069 229 M CA 1.495 56.834 55.300 0.064 0.000 1.133 229 M CB -0.180 32.393 32.600 -0.044 0.000 1.356 229 M HN 0.054 nan 8.290 nan 0.000 0.415 230 L N 1.281 122.621 121.223 0.195 0.000 2.046 230 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 230 L C 2.648 179.742 176.870 0.373 0.000 1.077 230 L CA 1.881 56.898 54.840 0.294 0.000 0.747 230 L CB -1.186 40.901 42.059 0.047 0.000 0.896 230 L HN 0.442 nan 8.230 nan 0.000 0.432 231 R N -0.969 119.730 120.500 0.331 0.000 2.303 231 R HA -0.134 4.205 4.340 -0.000 0.000 0.225 231 R C 0.882 177.185 176.300 0.006 0.000 1.114 231 R CA 1.372 57.545 56.100 0.122 0.000 1.007 231 R CB -0.652 29.673 30.300 0.040 0.000 0.861 231 R HN 0.305 nan 8.270 nan 0.000 0.471 232 D N -0.152 120.213 120.400 -0.057 0.000 2.355 232 D HA 0.000 4.640 4.640 -0.000 0.000 0.218 232 D C -0.332 175.720 176.300 -0.414 0.000 1.004 232 D CA 0.748 54.584 54.000 -0.275 0.000 0.880 232 D CB 0.073 40.617 40.800 -0.427 0.000 0.911 232 D HN 0.225 nan 8.370 nan 0.000 0.528 233 Y N 0.150 120.478 120.300 0.047 0.000 2.487 233 Y HA 0.309 4.859 4.550 -0.000 0.000 0.337 233 Y C -1.669 174.267 175.900 0.060 0.000 1.076 233 Y CA -2.564 55.566 58.100 0.050 0.000 1.115 233 Y CB 1.044 39.538 38.460 0.058 0.000 1.235 233 Y HN -0.224 nan 8.280 nan 0.000 0.468 234 P HA 0.073 nan 4.420 nan 0.000 0.225 234 P C -0.785 176.624 177.300 0.183 0.000 1.768 234 P CA 0.056 63.248 63.100 0.154 0.000 0.943 234 P CB -0.288 31.484 31.700 0.121 0.000 1.936 235 L N 0.333 121.687 121.223 0.218 0.000 2.461 235 L HA 0.110 4.450 4.340 -0.000 0.000 0.272 235 L C 1.789 178.819 176.870 0.266 0.000 1.197 235 L CA 0.025 55.002 54.840 0.230 0.000 0.836 235 L CB -0.856 41.366 42.059 0.271 0.000 1.105 235 L HN 0.046 nan 8.230 nan 0.000 0.477 236 F N 2.210 122.188 119.950 0.048 0.000 2.163 236 F HA -0.002 4.525 4.527 -0.000 0.000 0.297 236 F C 0.261 176.240 175.800 0.297 0.000 1.094 236 F CA 0.812 58.839 58.000 0.046 0.000 1.290 236 F CB 0.249 39.108 39.000 -0.236 0.000 1.017 236 F HN 0.568 nan 8.300 nan 0.000 0.483 237 W N -1.832 119.616 121.300 0.247 0.000 3.161 237 W HA 0.365 5.025 4.660 -0.000 0.000 0.314 237 W C -2.446 174.258 176.519 0.308 0.000 1.245 237 W CA -2.219 55.279 57.345 0.256 0.000 1.191 237 W CB -0.424 29.165 29.460 0.214 0.000 1.392 237 W HN -0.135 nan 8.180 nan 0.000 0.568 238 Y N 3.104 123.732 120.300 0.545 0.000 2.356 238 Y HA 0.536 5.086 4.550 -0.000 0.000 0.334 238 Y C -0.435 175.588 175.900 0.204 0.000 0.958 238 Y CA -2.046 56.204 58.100 0.250 0.000 1.196 238 Y CB 0.966 39.306 38.460 -0.201 0.000 1.137 238 Y HN 0.671 nan 8.280 nan 0.000 0.485 239 E N 4.251 124.684 120.200 0.389 0.000 2.231 239 E HA 0.204 4.554 4.350 -0.000 0.000 0.277 239 E C -0.557 175.998 176.600 -0.076 0.000 0.999 239 E CA -0.559 55.886 56.400 0.075 0.000 0.827 239 E CB 0.776 30.613 29.700 0.227 0.000 1.101 239 E HN 0.747 nan 8.360 nan 0.000 0.393 240 E N 2.655 122.764 120.200 -0.152 0.000 2.173 240 E HA -0.236 4.114 4.350 -0.000 0.000 0.160 240 E C 0.260 176.721 176.600 -0.231 0.000 1.581 240 E CA 0.096 56.395 56.400 -0.167 0.000 0.618 240 E CB -0.587 29.046 29.700 -0.113 0.000 1.049 240 E HN 0.489 nan 8.360 nan 0.000 0.311 241 V N 1.591 121.311 119.914 -0.323 0.000 2.261 241 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 241 V C 1.484 177.487 176.094 -0.151 0.000 1.047 241 V CA 2.157 64.261 62.300 -0.327 0.000 1.015 241 V CB -0.364 31.212 31.823 -0.411 0.000 0.642 241 V HN 0.598 nan 8.190 nan 0.000 0.446 242 G N -1.521 107.226 108.800 -0.089 0.000 3.108 242 G HA2 0.341 4.301 3.960 -0.000 0.000 0.268 242 G HA3 0.341 4.301 3.960 -0.000 0.000 0.268 242 G C -1.247 173.627 174.900 -0.043 0.000 1.361 242 G CA -0.366 44.723 45.100 -0.019 0.000 1.047 242 G HN 0.169 nan 8.290 nan 0.000 0.540 243 D N 0.685 121.078 120.400 -0.013 0.000 2.583 243 D HA -0.027 4.613 4.640 -0.000 0.000 0.232 243 D C -0.743 175.489 176.300 -0.113 0.000 1.128 243 D CA -0.813 53.161 54.000 -0.042 0.000 0.859 243 D CB 1.586 42.370 40.800 -0.027 0.000 1.169 243 D HN 0.022 nan 8.370 nan 0.000 0.481 244 P HA -0.138 nan 4.420 nan 0.000 0.220 244 P C 1.347 178.510 177.300 -0.229 0.000 1.144 244 P CA 0.900 63.909 63.100 -0.152 0.000 0.800 244 P CB 0.257 31.857 31.700 -0.167 0.000 0.772 245 L N -1.106 119.927 121.223 -0.316 0.000 2.616 245 L HA 0.211 4.551 4.340 -0.000 0.000 0.229 245 L C 1.067 177.467 176.870 -0.783 0.000 1.110 245 L CA 0.029 54.506 54.840 -0.605 0.000 0.884 245 L CB -0.232 41.632 42.059 -0.325 0.000 1.115 245 L HN -0.171 nan 8.230 nan 0.000 0.481 246 D N -0.402 119.742 120.400 -0.426 0.000 2.558 246 D HA -0.002 4.638 4.640 -0.000 0.000 0.221 246 D C 0.889 177.092 176.300 -0.161 0.000 1.143 246 D CA -0.205 53.643 54.000 -0.255 0.000 1.010 246 D CB 0.345 41.082 40.800 -0.104 0.000 1.068 246 D HN 0.080 nan 8.370 nan 0.000 0.511 247 Y N 1.416 121.737 120.300 0.035 0.000 2.224 247 Y HA -0.125 4.425 4.550 -0.000 0.000 0.289 247 Y C 2.460 178.401 175.900 0.069 0.000 1.146 247 Y CA 0.963 59.101 58.100 0.063 0.000 1.182 247 Y CB -0.823 37.715 38.460 0.131 0.000 0.983 247 Y HN 0.430 nan 8.280 nan 0.000 0.524 248 A N 0.099 123.028 122.820 0.182 0.000 1.933 248 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 248 A C 2.336 179.987 177.584 0.111 0.000 1.175 248 A CA 1.508 53.624 52.037 0.133 0.000 0.628 248 A CB -1.075 17.975 19.000 0.083 0.000 0.814 248 A HN 0.532 nan 8.150 nan 0.000 0.444 249 L N -0.915 120.357 121.223 0.081 0.000 2.017 249 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 249 L C 2.710 179.635 176.870 0.091 0.000 1.073 249 L CA 2.390 57.275 54.840 0.074 0.000 0.745 249 L CB -0.331 41.754 42.059 0.043 0.000 0.894 249 L HN 0.495 nan 8.230 nan 0.000 0.432 250 Q N 0.261 120.114 119.800 0.088 0.000 2.061 250 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 250 Q C 2.078 178.149 176.000 0.118 0.000 0.984 250 Q CA 2.418 58.272 55.803 0.086 0.000 0.846 250 Q CB -0.485 28.311 28.738 0.095 0.000 0.902 250 Q HN 0.608 nan 8.270 nan 0.000 0.421 251 A N 0.316 123.219 122.820 0.138 0.000 1.908 251 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 251 A C 2.294 179.964 177.584 0.143 0.000 1.181 251 A CA 2.060 54.179 52.037 0.137 0.000 0.627 251 A CB -1.238 17.847 19.000 0.142 0.000 0.818 251 A HN 0.559 nan 8.150 nan 0.000 0.445 252 A N -1.161 121.753 122.820 0.158 0.000 2.067 252 A HA 0.077 4.397 4.320 -0.000 0.000 0.219 252 A C 1.890 179.655 177.584 0.301 0.000 1.158 252 A CA 1.423 53.583 52.037 0.206 0.000 0.661 252 A CB -0.402 18.717 19.000 0.198 0.000 0.801 252 A HN 0.386 nan 8.150 nan 0.000 0.452 253 L N -0.658 120.721 121.223 0.261 0.000 2.217 253 L HA -0.027 4.313 4.340 -0.000 0.000 0.211 253 L C 2.846 179.921 176.870 0.343 0.000 1.107 253 L CA 1.422 56.465 54.840 0.338 0.000 0.783 253 L CB -0.897 41.289 42.059 0.211 0.000 0.919 253 L HN 0.394 nan 8.230 nan 0.000 0.442 254 A N -0.863 122.090 122.820 0.222 0.000 1.986 254 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 254 A C 2.341 179.980 177.584 0.091 0.000 1.171 254 A CA 1.895 54.028 52.037 0.160 0.000 0.640 254 A CB -0.546 18.514 19.000 0.100 0.000 0.811 254 A HN 0.529 nan 8.150 nan 0.000 0.451 255 E N -1.595 118.616 120.200 0.018 0.000 2.204 255 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 255 E C 0.973 177.298 176.600 -0.459 0.000 0.989 255 E CA 1.075 57.306 56.400 -0.282 0.000 0.824 255 E CB -0.078 29.318 29.700 -0.507 0.000 0.756 255 E HN 0.715 nan 8.360 nan 0.000 0.477 256 F N -1.646 118.393 119.950 0.148 0.000 2.720 256 F HA 0.185 4.712 4.527 -0.000 0.000 0.301 256 F C 0.109 176.061 175.800 0.254 0.000 1.103 256 F CA -0.259 57.845 58.000 0.174 0.000 1.291 256 F CB 0.631 39.743 39.000 0.186 0.000 1.086 256 F HN -0.090 nan 8.300 nan 0.000 0.592 257 Y N 3.171 123.631 120.300 0.267 0.000 2.594 257 Y HA 0.361 4.911 4.550 -0.000 0.000 0.338 257 Y C -1.986 174.009 175.900 0.158 0.000 1.019 257 Y CA -2.880 55.364 58.100 0.240 0.000 1.306 257 Y CB 1.144 39.815 38.460 0.352 0.000 1.094 257 Y HN -0.205 nan 8.280 nan 0.000 0.534 258 P HA 0.021 nan 4.420 nan 0.000 0.222 258 P C 0.823 178.048 177.300 -0.125 0.000 1.153 258 P CA 0.685 63.734 63.100 -0.086 0.000 0.798 258 P CB 0.418 32.058 31.700 -0.100 0.000 0.796 259 G N 2.354 110.931 108.800 -0.372 0.000 2.664 259 G HA2 0.221 4.181 3.960 -0.000 0.000 0.242 259 G HA3 0.221 4.181 3.960 -0.000 0.000 0.242 259 G C -2.317 172.674 174.900 0.153 0.000 1.225 259 G CA -0.813 44.163 45.100 -0.206 0.000 0.849 259 G HN 0.123 nan 8.290 nan 0.000 0.581 260 P HA 0.079 nan 4.420 nan 0.000 0.268 260 P C -0.409 177.144 177.300 0.421 0.000 1.205 260 P CA 0.514 63.747 63.100 0.223 0.000 0.771 260 P CB 0.837 32.618 31.700 0.136 0.000 0.858 261 M N 1.492 121.251 119.600 0.264 0.000 2.690 261 M HA 0.720 5.200 4.480 -0.000 0.000 0.302 261 M C -0.436 175.874 176.300 0.017 0.000 1.234 261 M CA -0.836 54.578 55.300 0.189 0.000 0.853 261 M CB 2.792 35.459 32.600 0.113 0.000 1.748 261 M HN 0.363 nan 8.290 nan 0.000 0.469 262 A N 0.687 123.415 122.820 -0.154 0.000 2.539 262 A HA 0.931 5.251 4.320 -0.000 0.000 0.296 262 A C -0.873 176.546 177.584 -0.276 0.000 1.073 262 A CA -0.547 51.297 52.037 -0.321 0.000 0.700 262 A CB 2.311 20.782 19.000 -0.881 0.000 1.296 262 A HN 0.766 nan 8.150 nan 0.000 0.405 263 T N -1.329 113.059 114.554 -0.277 0.000 2.663 263 T HA 0.594 4.944 4.350 -0.000 0.000 0.305 263 T C 0.484 174.992 174.700 -0.320 0.000 1.660 263 T CA 0.921 62.879 62.100 -0.236 0.000 0.976 263 T CB 0.682 69.451 68.868 -0.166 0.000 1.705 263 T HN 2.610 nan 8.240 nan 0.000 0.494 264 G N 1.058 109.702 108.800 -0.260 0.000 2.284 264 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.201 264 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.201 264 G C 0.828 175.613 174.900 -0.191 0.000 0.998 264 G CA 1.252 46.167 45.100 -0.308 0.000 0.651 264 G HN 1.067 nan 8.290 nan 0.000 0.489 265 E N 0.510 120.599 120.200 -0.184 0.000 2.160 265 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 265 E C 1.233 177.656 176.600 -0.294 0.000 0.991 265 E CA 1.284 57.576 56.400 -0.179 0.000 0.810 265 E CB -0.258 29.278 29.700 -0.273 0.000 0.742 265 E HN 0.419 nan 8.360 nan 0.000 0.466 266 N N 0.624 119.093 118.700 -0.385 0.000 2.295 266 N HA 0.200 4.940 4.740 -0.000 0.000 0.221 266 N C -0.713 174.149 175.510 -1.080 0.000 1.129 266 N CA 0.184 52.826 53.050 -0.680 0.000 0.836 266 N CB 0.602 38.907 38.487 -0.303 0.000 1.040 266 N HN 0.214 nan 8.380 nan 0.000 0.494 267 L N 0.532 121.250 121.223 -0.842 0.000 2.305 267 L HA 0.413 4.753 4.340 -0.000 0.000 0.284 267 L C -0.277 176.269 176.870 -0.540 0.000 1.013 267 L CA -0.577 53.961 54.840 -0.503 0.000 0.819 267 L CB 0.836 42.882 42.059 -0.021 0.000 1.227 267 L HN -0.069 nan 8.230 nan 0.000 0.417 268 F N 0.759 120.775 119.950 0.109 0.000 2.772 268 F HA 0.235 4.762 4.527 -0.000 0.000 0.302 268 F C 0.800 176.675 175.800 0.125 0.000 1.136 268 F CA -0.482 57.579 58.000 0.101 0.000 1.322 268 F CB 0.369 39.404 39.000 0.059 0.000 0.967 268 F HN 0.410 nan 8.300 nan 0.000 0.513 269 S N -2.523 113.233 115.700 0.093 0.000 2.596 269 S HA 0.270 4.740 4.470 -0.000 0.000 0.270 269 S C 0.332 174.801 174.600 -0.218 0.000 1.155 269 S CA -0.587 57.567 58.200 -0.076 0.000 0.827 269 S CB 0.925 63.828 63.200 -0.494 0.000 1.130 269 S HN 0.350 nan 8.310 nan 0.000 0.467 270 H N 0.347 119.266 119.070 -0.251 0.000 2.457 270 H HA 0.105 4.661 4.556 -0.000 0.000 0.294 270 H C 1.576 176.755 175.328 -0.248 0.000 1.064 270 H CA 1.690 57.551 56.048 -0.311 0.000 1.330 270 H CB -0.340 29.264 29.762 -0.263 0.000 1.395 270 H HN 0.555 nan 8.280 nan 0.000 0.541 271 Q N 0.842 120.174 119.800 -0.780 0.000 2.050 271 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 271 Q C 1.798 177.674 176.000 -0.207 0.000 0.980 271 Q CA 1.751 57.281 55.803 -0.455 0.000 0.840 271 Q CB 0.013 28.562 28.738 -0.315 0.000 0.898 271 Q HN 0.603 nan 8.270 nan 0.000 0.424 272 D N -0.189 120.125 120.400 -0.143 0.000 2.144 272 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 272 D C 1.702 177.929 176.300 -0.121 0.000 0.978 272 D CA 1.276 55.260 54.000 -0.027 0.000 0.833 272 D CB -0.027 40.796 40.800 0.039 0.000 0.961 272 D HN 0.286 nan 8.370 nan 0.000 0.470 273 A N 1.257 123.897 122.820 -0.300 0.000 1.930 273 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 273 A C 2.187 179.537 177.584 -0.391 0.000 1.175 273 A CA 1.343 53.113 52.037 -0.445 0.000 0.627 273 A CB -0.484 17.894 19.000 -1.037 0.000 0.815 273 A HN 0.096 nan 8.150 nan 0.000 0.443 274 R N -0.166 120.116 120.500 -0.363 0.000 2.091 274 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 274 R C 1.692 177.701 176.300 -0.483 0.000 1.136 274 R CA 1.817 57.675 56.100 -0.402 0.000 0.959 274 R CB -0.289 29.881 30.300 -0.217 0.000 0.856 274 R HN 0.508 nan 8.270 nan 0.000 0.437 275 N N 0.766 119.244 118.700 -0.371 0.000 2.244 275 N HA -0.170 4.570 4.740 -0.000 0.000 0.183 275 N C 1.630 176.588 175.510 -0.920 0.000 1.016 275 N CA 0.894 53.666 53.050 -0.464 0.000 0.866 275 N CB -0.281 38.140 38.487 -0.109 0.000 0.980 275 N HN 0.201 nan 8.380 nan 0.000 0.430 276 L N 1.050 121.810 121.223 -0.773 0.000 2.046 276 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 276 L C 1.908 178.481 176.870 -0.495 0.000 1.077 276 L CA 1.359 55.812 54.840 -0.644 0.000 0.747 276 L CB -0.521 41.433 42.059 -0.174 0.000 0.896 276 L HN 0.090 nan 8.230 nan 0.000 0.432 277 L N -1.070 119.826 121.223 -0.544 0.000 2.141 277 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 277 L C 2.730 179.341 176.870 -0.431 0.000 1.094 277 L CA 0.998 55.523 54.840 -0.525 0.000 0.763 277 L CB -0.478 41.114 42.059 -0.779 0.000 0.908 277 L HN 0.259 nan 8.230 nan 0.000 0.437 278 R N -0.851 119.259 120.500 -0.650 0.000 2.073 278 R HA -0.099 4.241 4.340 -0.000 0.000 0.229 278 R C 1.546 177.433 176.300 -0.688 0.000 1.120 278 R CA 1.407 57.070 56.100 -0.729 0.000 0.967 278 R CB 0.006 29.560 30.300 -1.242 0.000 0.862 278 R HN 0.310 nan 8.270 nan 0.000 0.436 279 Y N -2.307 117.872 120.300 -0.203 0.000 2.453 279 Y HA 0.344 4.894 4.550 -0.000 0.000 0.247 279 Y C 1.927 177.820 175.900 -0.012 0.000 1.124 279 Y CA -0.166 57.883 58.100 -0.085 0.000 1.243 279 Y CB -0.051 38.385 38.460 -0.040 0.000 1.213 279 Y HN 0.036 nan 8.280 nan 0.000 0.523 280 G N 0.251 109.058 108.800 0.012 0.000 2.484 280 G HA2 0.139 4.099 3.960 -0.000 0.000 0.218 280 G HA3 0.139 4.099 3.960 -0.000 0.000 0.218 280 G C 1.613 176.584 174.900 0.118 0.000 1.130 280 G CA 0.519 45.685 45.100 0.110 0.000 0.784 280 G HN 0.579 nan 8.290 nan 0.000 0.543 281 G N -0.163 108.698 108.800 0.102 0.000 2.273 281 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.280 281 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.280 281 G C 0.340 175.316 174.900 0.126 0.000 1.047 281 G CA 0.510 45.678 45.100 0.112 0.000 0.869 281 G HN 0.454 nan 8.290 nan 0.000 0.502 282 M N -0.926 118.778 119.600 0.174 0.000 2.288 282 M HA 0.484 4.964 4.480 -0.000 0.000 0.334 282 M C 0.742 177.168 176.300 0.209 0.000 1.150 282 M CA -0.480 54.952 55.300 0.221 0.000 1.118 282 M CB 0.861 33.634 32.600 0.287 0.000 1.501 282 M HN 0.056 nan 8.290 nan 0.000 0.462 283 R N 2.763 123.307 120.500 0.073 0.000 2.220 283 R HA 0.202 4.542 4.340 -0.000 0.000 0.340 283 R C -1.736 174.320 176.300 -0.407 0.000 1.076 283 R CA -1.605 54.420 56.100 -0.124 0.000 0.920 283 R CB -0.303 29.935 30.300 -0.103 0.000 1.062 283 R HN 0.366 nan 8.270 nan 0.000 0.469 284 P HA -0.176 nan 4.420 nan 0.000 0.229 284 P C -0.125 176.660 177.300 -0.858 0.000 1.150 284 P CA 1.083 63.175 63.100 -1.680 0.000 0.765 284 P CB 0.406 30.993 31.700 -1.855 0.000 0.783 285 D N 0.023 120.102 120.400 -0.535 0.000 2.367 285 D HA -0.074 4.566 4.640 -0.000 0.000 0.207 285 D C 1.604 177.685 176.300 -0.364 0.000 1.034 285 D CA 0.427 54.201 54.000 -0.377 0.000 0.861 285 D CB -0.242 40.397 40.800 -0.268 0.000 0.943 285 D HN 0.342 nan 8.370 nan 0.000 0.515 286 R N -1.078 119.183 120.500 -0.397 0.000 2.591 286 R HA 0.237 4.577 4.340 -0.000 0.000 0.288 286 R C -0.474 175.474 176.300 -0.587 0.000 0.947 286 R CA -0.498 55.343 56.100 -0.432 0.000 1.085 286 R CB 0.112 30.267 30.300 -0.243 0.000 1.618 286 R HN -0.165 nan 8.270 nan 0.000 0.524 287 D N 0.838 120.974 120.400 -0.439 0.000 2.387 287 D HA 0.233 4.873 4.640 -0.000 0.000 0.251 287 D C -0.838 175.162 176.300 -0.500 0.000 1.141 287 D CA 0.164 53.963 54.000 -0.335 0.000 0.987 287 D CB 0.681 41.488 40.800 0.013 0.000 1.116 287 D HN 0.057 nan 8.370 nan 0.000 0.491 288 W N 0.118 121.362 121.300 -0.093 0.000 2.702 288 W HA 0.498 5.158 4.660 -0.000 0.000 0.331 288 W C -0.576 175.757 176.519 -0.310 0.000 1.049 288 W CA -0.769 56.459 57.345 -0.194 0.000 1.230 288 W CB 0.961 30.156 29.460 -0.442 0.000 1.408 288 W HN -0.082 nan 8.180 nan 0.000 0.492 289 L N 2.847 124.026 121.223 -0.072 0.000 2.287 289 L HA 0.367 4.707 4.340 -0.000 0.000 0.287 289 L C 0.435 177.035 176.870 -0.449 0.000 1.022 289 L CA -0.626 53.924 54.840 -0.483 0.000 0.814 289 L CB 1.288 42.998 42.059 -0.581 0.000 1.217 289 L HN 0.541 nan 8.230 nan 0.000 0.420 290 Q N 2.767 122.226 119.800 -0.569 0.000 2.225 290 Q HA 0.265 4.605 4.340 -0.000 0.000 0.259 290 Q C -0.799 175.124 176.000 -0.128 0.000 0.872 290 Q CA -0.472 55.180 55.803 -0.251 0.000 1.042 290 Q CB 0.249 28.905 28.738 -0.136 0.000 1.142 290 Q HN 0.419 nan 8.270 nan 0.000 0.463 291 F N 1.486 121.501 119.950 0.108 0.000 2.629 291 F HA -0.041 4.486 4.527 -0.000 0.000 0.369 291 F C 0.912 176.886 175.800 0.289 0.000 1.125 291 F CA -0.185 57.911 58.000 0.160 0.000 1.330 291 F CB 0.217 39.304 39.000 0.145 0.000 1.071 291 F HN 0.001 nan 8.300 nan 0.000 0.595 292 D N 2.359 123.040 120.400 0.469 0.000 2.440 292 D HA 0.169 4.809 4.640 -0.000 0.000 0.239 292 D C 0.817 177.350 176.300 0.388 0.000 1.084 292 D CA -0.601 53.643 54.000 0.407 0.000 0.843 292 D CB 1.141 42.219 40.800 0.463 0.000 1.097 292 D HN 0.674 nan 8.370 nan 0.000 0.531 293 C N 3.207 122.673 119.300 0.276 0.000 2.411 293 C HA 0.015 4.475 4.460 -0.000 0.000 0.279 293 C C 2.444 177.539 174.990 0.175 0.000 1.288 293 C CA 0.908 60.062 59.018 0.226 0.000 1.764 293 C CB -1.275 26.465 27.740 -0.000 0.000 1.974 293 C HN 0.604 nan 8.230 nan 0.000 0.498 294 A N 0.857 123.764 122.820 0.144 0.000 2.070 294 A HA 0.146 4.466 4.320 -0.000 0.000 0.220 294 A C 2.142 179.729 177.584 0.006 0.000 1.159 294 A CA 1.623 53.653 52.037 -0.012 0.000 0.656 294 A CB -0.526 18.328 19.000 -0.242 0.000 0.800 294 A HN 0.763 nan 8.150 nan 0.000 0.453 295 L N -1.192 120.090 121.223 0.098 0.000 2.693 295 L HA 0.174 4.514 4.340 -0.000 0.000 0.235 295 L C 0.425 177.278 176.870 -0.028 0.000 1.127 295 L CA 0.096 54.912 54.840 -0.040 0.000 0.914 295 L CB 0.504 42.587 42.059 0.040 0.000 1.193 295 L HN 0.127 nan 8.230 nan 0.000 0.502 296 S N -0.765 115.030 115.700 0.159 0.000 2.499 296 S HA 0.271 4.741 4.470 -0.000 0.000 0.238 296 S C -0.396 174.399 174.600 0.326 0.000 1.205 296 S CA -0.462 57.884 58.200 0.243 0.000 1.203 296 S CB -0.050 63.386 63.200 0.394 0.000 0.954 296 S HN 0.364 nan 8.310 nan 0.000 0.484 297 Y N 0.145 120.560 120.300 0.191 0.000 4.668 297 Y HA -0.256 4.294 4.550 -0.000 0.000 0.234 297 Y C 1.147 177.295 175.900 0.413 0.000 1.056 297 Y CA 0.920 59.208 58.100 0.313 0.000 2.025 297 Y CB -2.030 36.725 38.460 0.490 0.000 1.613 297 Y HN 0.786 nan 8.280 nan 0.000 0.653 298 G N -0.400 108.611 108.800 0.352 0.000 2.741 298 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.222 298 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.222 298 G C 0.324 175.360 174.900 0.226 0.000 1.364 298 G CA -0.216 45.054 45.100 0.283 0.000 0.866 298 G HN 0.770 nan 8.290 nan 0.000 0.555 299 L N 0.093 121.379 121.223 0.106 0.000 2.083 299 L HA 0.010 4.350 4.340 -0.000 0.000 0.209 299 L C 3.074 179.971 176.870 0.046 0.000 1.083 299 L CA 3.076 57.869 54.840 -0.079 0.000 0.752 299 L CB -0.963 40.694 42.059 -0.669 0.000 0.899 299 L HN 0.781 nan 8.230 nan 0.000 0.433 300 C N -0.355 119.062 119.300 0.195 0.000 2.413 300 C HA -0.145 4.315 4.460 -0.000 0.000 0.277 300 C C 2.712 177.524 174.990 -0.298 0.000 1.265 300 C CA 1.122 60.121 59.018 -0.031 0.000 1.752 300 C CB -0.869 26.674 27.740 -0.329 0.000 1.998 300 C HN 0.677 nan 8.230 nan 0.000 0.489 301 E N -0.468 119.607 120.200 -0.209 0.000 2.122 301 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 301 E C 1.859 178.435 176.600 -0.041 0.000 0.977 301 E CA 0.922 57.227 56.400 -0.159 0.000 0.820 301 E CB -0.559 29.222 29.700 0.134 0.000 0.770 301 E HN 0.676 nan 8.360 nan 0.000 0.462 302 Y N 1.358 121.627 120.300 -0.051 0.000 2.256 302 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 302 Y C 2.006 177.865 175.900 -0.069 0.000 1.155 302 Y CA 2.115 60.191 58.100 -0.041 0.000 1.203 302 Y CB 0.060 38.512 38.460 -0.013 0.000 0.980 302 Y HN 0.155 nan 8.280 nan 0.000 0.530 303 Q N -0.531 119.294 119.800 0.042 0.000 2.124 303 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 303 Q C 2.279 178.212 176.000 -0.112 0.000 0.977 303 Q CA 1.481 57.292 55.803 0.013 0.000 0.850 303 Q CB -0.199 28.576 28.738 0.062 0.000 0.901 303 Q HN 0.492 nan 8.270 nan 0.000 0.429 304 R N -0.183 120.191 120.500 -0.209 0.000 2.115 304 R HA -0.063 4.277 4.340 -0.000 0.000 0.230 304 R C 2.258 178.382 176.300 -0.293 0.000 1.111 304 R CA 1.491 57.399 56.100 -0.321 0.000 0.976 304 R CB -0.162 29.805 30.300 -0.555 0.000 0.870 304 R HN 0.201 nan 8.270 nan 0.000 0.445 305 T N 1.481 115.856 114.554 -0.299 0.000 2.821 305 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 305 T C 1.822 176.323 174.700 -0.332 0.000 1.046 305 T CA 0.870 62.746 62.100 -0.373 0.000 1.139 305 T CB -0.054 68.455 68.868 -0.598 0.000 0.871 305 T HN 0.136 nan 8.240 nan 0.000 0.454 306 L N 0.626 121.668 121.223 -0.303 0.000 2.131 306 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 306 L C 2.780 179.606 176.870 -0.072 0.000 1.092 306 L CA 1.076 55.822 54.840 -0.156 0.000 0.759 306 L CB -0.403 41.618 42.059 -0.063 0.000 0.903 306 L HN 0.176 nan 8.230 nan 0.000 0.435 307 E N 0.058 120.204 120.200 -0.089 0.000 2.110 307 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 307 E C 2.144 178.723 176.600 -0.036 0.000 0.988 307 E CA 0.978 57.343 56.400 -0.058 0.000 0.804 307 E CB -0.131 29.511 29.700 -0.096 0.000 0.745 307 E HN 0.172 nan 8.360 nan 0.000 0.458 308 V N 0.643 120.517 119.914 -0.066 0.000 2.343 308 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 308 V C 2.365 178.491 176.094 0.053 0.000 1.051 308 V CA 1.459 63.755 62.300 -0.007 0.000 1.036 308 V CB -0.448 31.315 31.823 -0.099 0.000 0.654 308 V HN 0.325 nan 8.190 nan 0.000 0.451 309 L N -0.464 120.748 121.223 -0.019 0.000 2.042 309 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 309 L C 2.572 179.549 176.870 0.178 0.000 1.076 309 L CA 1.911 56.786 54.840 0.058 0.000 0.749 309 L CB -0.789 41.309 42.059 0.066 0.000 0.893 309 L HN 0.346 nan 8.230 nan 0.000 0.432 310 K N -0.465 120.000 120.400 0.108 0.000 2.057 310 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 310 K C 2.013 178.658 176.600 0.075 0.000 1.049 310 K CA 1.722 58.064 56.287 0.092 0.000 0.931 310 K CB -0.284 32.246 32.500 0.050 0.000 0.714 310 K HN 0.220 nan 8.250 nan 0.000 0.440 311 T N 0.293 114.882 114.554 0.059 0.000 2.849 311 T HA -0.119 4.231 4.350 -0.000 0.000 0.270 311 T C 1.029 175.644 174.700 -0.142 0.000 1.066 311 T CA 1.039 63.119 62.100 -0.033 0.000 1.130 311 T CB -0.150 68.697 68.868 -0.034 0.000 0.864 311 T HN 0.314 nan 8.240 nan 0.000 0.481 312 H N -0.534 118.573 119.070 0.062 0.000 2.505 312 H HA 0.351 4.907 4.556 -0.000 0.000 0.286 312 H C 1.687 177.144 175.328 0.215 0.000 1.072 312 H CA 0.265 56.388 56.048 0.125 0.000 1.141 312 H CB 0.311 30.148 29.762 0.125 0.000 1.550 312 H HN 0.465 nan 8.280 nan 0.000 0.547 313 G N 1.020 109.937 108.800 0.196 0.000 2.160 313 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.251 313 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.251 313 G C -0.435 174.521 174.900 0.093 0.000 1.008 313 G CA 0.085 45.246 45.100 0.102 0.000 0.724 313 G HN 0.294 nan 8.290 nan 0.000 0.514 314 W N 0.046 121.355 121.300 0.016 0.000 2.448 314 W HA 0.705 5.365 4.660 -0.000 0.000 0.339 314 W C 0.668 177.189 176.519 0.004 0.000 1.124 314 W CA -0.252 57.093 57.345 -0.000 0.000 1.262 314 W CB 1.624 31.088 29.460 0.006 0.000 1.251 314 W HN 0.233 nan 8.180 nan 0.000 0.597 315 S N 2.215 118.046 115.700 0.218 0.000 2.508 315 S HA 0.339 4.809 4.470 -0.000 0.000 0.284 315 S C -1.651 173.067 174.600 0.198 0.000 1.192 315 S CA -1.555 56.734 58.200 0.149 0.000 1.070 315 S CB 1.155 64.395 63.200 0.066 0.000 1.004 315 S HN 0.191 nan 8.310 nan 0.000 0.493 316 P HA -0.076 nan 4.420 nan 0.000 0.223 316 P C 1.223 178.646 177.300 0.205 0.000 1.144 316 P CA 0.880 64.085 63.100 0.176 0.000 0.783 316 P CB -0.031 31.753 31.700 0.141 0.000 0.771 317 S N -1.470 114.340 115.700 0.184 0.000 2.603 317 S HA -0.012 4.458 4.470 -0.000 0.000 0.229 317 S C 1.675 176.453 174.600 0.296 0.000 0.972 317 S CA 0.376 58.705 58.200 0.215 0.000 0.935 317 S CB -0.615 62.678 63.200 0.155 0.000 0.769 317 S HN 0.027 nan 8.310 nan 0.000 0.536 318 R N 0.085 120.747 120.500 0.270 0.000 2.300 318 R HA 0.280 4.620 4.340 -0.000 0.000 0.199 318 R C -0.084 176.480 176.300 0.440 0.000 0.920 318 R CA -0.008 56.261 56.100 0.282 0.000 1.046 318 R CB -0.702 29.779 30.300 0.301 0.000 0.984 318 R HN 0.414 nan 8.270 nan 0.000 0.493 319 C N 1.593 121.111 119.300 0.363 0.000 2.369 319 C HA 0.518 4.978 4.460 -0.000 0.000 0.358 319 C C 0.716 175.890 174.990 0.307 0.000 1.274 319 C CA -0.550 58.649 59.018 0.301 0.000 1.935 319 C CB 0.002 27.932 27.740 0.315 0.000 2.431 319 C HN 0.268 nan 8.230 nan 0.000 0.545 320 I N 4.553 125.256 120.570 0.222 0.000 2.649 320 I HA 0.217 4.387 4.170 -0.000 0.000 0.275 320 I C -2.421 173.780 176.117 0.140 0.000 1.153 320 I CA -1.438 59.972 61.300 0.184 0.000 1.069 320 I CB 1.099 39.189 38.000 0.152 0.000 1.227 320 I HN 0.337 nan 8.210 nan 0.000 0.505 321 P HA -0.112 nan 4.420 nan 0.000 0.264 321 P C -0.355 176.996 177.300 0.084 0.000 1.179 321 P CA 0.540 63.699 63.100 0.099 0.000 0.763 321 P CB 0.285 31.978 31.700 -0.012 0.000 0.806 322 H N 1.902 121.007 119.070 0.058 0.000 2.546 322 H HA 0.358 4.914 4.556 -0.000 0.000 0.365 322 H C 1.324 176.693 175.328 0.069 0.000 1.220 322 H CA 0.773 56.878 56.048 0.095 0.000 1.386 322 H CB 0.602 30.457 29.762 0.155 0.000 1.510 322 H HN 0.695 nan 8.280 nan 0.000 0.591 323 G N 0.739 109.143 108.800 -0.660 0.000 2.307 323 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.210 323 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.210 323 G C 1.086 176.039 174.900 0.090 0.000 1.005 323 G CA 0.448 45.481 45.100 -0.111 0.000 0.634 323 G HN 1.625 nan 8.290 nan 0.000 0.496 324 G N 0.165 108.802 108.800 -0.273 0.000 2.283 324 G HA2 0.064 4.024 3.960 -0.000 0.000 0.280 324 G HA3 0.064 4.024 3.960 -0.000 0.000 0.280 324 G C 0.125 175.021 174.900 -0.008 0.000 1.029 324 G CA 1.657 46.597 45.100 -0.266 0.000 0.840 324 G HN 2.425 nan 8.290 nan 0.000 0.505 325 H N -4.005 115.105 119.070 0.067 0.000 2.616 325 H HA 0.751 5.307 4.556 -0.000 0.000 0.353 325 H C 1.096 176.470 175.328 0.076 0.000 1.170 325 H CA -0.834 55.303 56.048 0.149 0.000 1.212 325 H CB 0.777 30.616 29.762 0.128 0.000 1.653 325 H HN 0.009 nan 8.280 nan 0.000 0.537 326 Q N 0.516 120.516 119.800 0.334 0.000 2.226 326 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 326 Q C 1.812 177.858 176.000 0.077 0.000 0.975 326 Q CA 1.620 57.519 55.803 0.159 0.000 0.866 326 Q CB -0.183 28.615 28.738 0.100 0.000 0.915 326 Q HN 0.741 nan 8.270 nan 0.000 0.440 327 M N -0.121 119.602 119.600 0.205 0.000 2.086 327 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 327 M C 1.791 178.114 176.300 0.038 0.000 1.067 327 M CA 1.772 57.126 55.300 0.091 0.000 1.116 327 M CB -0.471 32.167 32.600 0.064 0.000 1.348 327 M HN 0.040 nan 8.290 nan 0.000 0.407 328 S N 0.429 116.155 115.700 0.042 0.000 2.382 328 S HA -0.075 4.395 4.470 -0.000 0.000 0.228 328 S C 1.895 176.426 174.600 -0.115 0.000 1.027 328 S CA 1.428 59.533 58.200 -0.159 0.000 0.991 328 S CB -0.594 62.397 63.200 -0.349 0.000 0.823 328 S HN 0.556 nan 8.310 nan 0.000 0.469 329 L N 1.744 122.926 121.223 -0.068 0.000 2.042 329 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 329 L C 2.348 179.174 176.870 -0.072 0.000 1.076 329 L CA 1.067 55.875 54.840 -0.052 0.000 0.749 329 L CB -0.645 41.416 42.059 0.004 0.000 0.893 329 L HN 0.363 nan 8.230 nan 0.000 0.432 330 N N 0.228 118.903 118.700 -0.042 0.000 2.142 330 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 330 N C 1.921 177.427 175.510 -0.006 0.000 1.023 330 N CA 1.400 54.462 53.050 0.021 0.000 0.852 330 N CB -0.036 38.479 38.487 0.045 0.000 0.998 330 N HN 0.362 nan 8.380 nan 0.000 0.424 331 I N 1.281 121.796 120.570 -0.092 0.000 2.252 331 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 331 I C 2.510 178.587 176.117 -0.067 0.000 1.102 331 I CA 0.691 61.911 61.300 -0.132 0.000 1.385 331 I CB -0.348 37.498 38.000 -0.257 0.000 1.064 331 I HN 0.035 nan 8.210 nan 0.000 0.414 332 A N 1.004 123.791 122.820 -0.054 0.000 1.883 332 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 332 A C 2.550 180.130 177.584 -0.005 0.000 1.186 332 A CA 2.054 54.088 52.037 -0.004 0.000 0.624 332 A CB -0.878 18.121 19.000 -0.002 0.000 0.822 332 A HN 0.430 nan 8.150 nan 0.000 0.444 333 A N -0.879 121.907 122.820 -0.058 0.000 1.930 333 A HA 0.188 4.508 4.320 -0.000 0.000 0.217 333 A C 2.328 179.943 177.584 0.051 0.000 1.175 333 A CA 1.854 53.832 52.037 -0.098 0.000 0.627 333 A CB -1.106 17.640 19.000 -0.423 0.000 0.815 333 A HN 0.696 nan 8.150 nan 0.000 0.443 334 G N -0.742 108.118 108.800 0.100 0.000 2.411 334 G HA2 0.107 4.067 3.960 -0.000 0.000 0.213 334 G HA3 0.107 4.067 3.960 -0.000 0.000 0.213 334 G C 1.241 176.146 174.900 0.009 0.000 1.166 334 G CA 0.753 45.921 45.100 0.115 0.000 0.802 334 G HN 0.409 nan 8.290 nan 0.000 0.533 335 L N 0.221 121.421 121.223 -0.038 0.000 2.728 335 L HA 0.356 4.696 4.340 -0.000 0.000 0.238 335 L C 1.443 178.326 176.870 0.021 0.000 1.143 335 L CA 0.213 55.014 54.840 -0.065 0.000 0.937 335 L CB 0.283 42.249 42.059 -0.155 0.000 1.225 335 L HN 0.294 nan 8.230 nan 0.000 0.507 336 G N 1.485 110.314 108.800 0.048 0.000 2.248 336 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.263 336 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.263 336 G C 0.031 175.002 174.900 0.117 0.000 1.082 336 G CA -0.150 44.998 45.100 0.080 0.000 0.863 336 G HN 0.204 nan 8.290 nan 0.000 0.495 337 L N -0.805 120.493 121.223 0.126 0.000 2.479 337 L HA 0.536 4.876 4.340 -0.000 0.000 0.248 337 L C 2.070 179.067 176.870 0.210 0.000 1.205 337 L CA -0.010 54.939 54.840 0.180 0.000 0.817 337 L CB 0.346 42.508 42.059 0.172 0.000 1.162 337 L HN 0.212 nan 8.230 nan 0.000 0.486 338 G N -0.829 108.142 108.800 0.285 0.000 2.534 338 G HA2 0.361 4.321 3.960 -0.000 0.000 0.217 338 G HA3 0.361 4.321 3.960 -0.000 0.000 0.217 338 G C 0.536 175.633 174.900 0.328 0.000 1.128 338 G CA 0.737 46.045 45.100 0.347 0.000 0.784 338 G HN 0.950 nan 8.290 nan 0.000 0.542 339 G N -1.123 107.844 108.800 0.277 0.000 2.350 339 G HA2 0.240 4.200 3.960 -0.000 0.000 0.276 339 G HA3 0.240 4.200 3.960 -0.000 0.000 0.276 339 G C -1.795 173.185 174.900 0.134 0.000 1.313 339 G CA -0.321 44.938 45.100 0.265 0.000 0.903 339 G HN 0.416 nan 8.290 nan 0.000 0.490 340 N N -0.644 118.069 118.700 0.021 0.000 2.416 340 N HA 0.438 5.178 4.740 -0.000 0.000 0.276 340 N C -0.934 174.433 175.510 -0.238 0.000 1.261 340 N CA -0.538 52.469 53.050 -0.072 0.000 0.790 340 N CB 2.637 41.056 38.487 -0.114 0.000 1.554 340 N HN 0.660 nan 8.380 nan 0.000 0.481 341 E N 0.513 120.492 120.200 -0.368 0.000 2.349 341 E HA 0.313 4.663 4.350 -0.000 0.000 0.262 341 E C -1.348 174.744 176.600 -0.848 0.000 1.088 341 E CA -0.310 55.532 56.400 -0.931 0.000 0.899 341 E CB 1.165 30.441 29.700 -0.707 0.000 1.044 341 E HN 0.370 nan 8.360 nan 0.000 0.420 342 S N 2.204 117.252 115.700 -1.088 0.000 2.546 342 S HA 0.396 4.866 4.470 -0.000 0.000 0.272 342 S C -1.949 172.122 174.600 -0.882 0.000 1.140 342 S CA -0.639 57.099 58.200 -0.769 0.000 0.920 342 S CB 0.518 63.495 63.200 -0.371 0.000 1.083 342 S HN 0.467 nan 8.310 nan 0.000 0.476 343 Y N 4.079 124.182 120.300 -0.328 0.000 2.842 343 Y HA 0.381 4.931 4.550 -0.000 0.000 0.334 343 Y C -2.024 173.710 175.900 -0.277 0.000 1.019 343 Y CA -1.968 55.949 58.100 -0.306 0.000 1.258 343 Y CB 1.027 39.393 38.460 -0.157 0.000 1.106 343 Y HN 0.497 nan 8.280 nan 0.000 0.545 344 P HA -0.129 nan 4.420 nan 0.000 0.218 344 P C 0.417 177.732 177.300 0.025 0.000 1.148 344 P CA 1.652 64.738 63.100 -0.023 0.000 0.822 344 P CB 0.456 32.200 31.700 0.074 0.000 0.784 345 D N -2.291 118.123 120.400 0.024 0.000 2.431 345 D HA 0.166 4.806 4.640 -0.000 0.000 0.213 345 D C 0.007 176.173 176.300 -0.224 0.000 1.130 345 D CA 0.209 54.176 54.000 -0.054 0.000 0.834 345 D CB 0.439 41.233 40.800 -0.010 0.000 0.985 345 D HN 0.064 nan 8.370 nan 0.000 0.504 346 L N -0.461 120.550 121.223 -0.354 0.000 2.354 346 L HA 0.390 4.730 4.340 -0.000 0.000 0.264 346 L C 0.401 176.845 176.870 -0.709 0.000 1.008 346 L CA -0.975 53.365 54.840 -0.833 0.000 0.819 346 L CB 0.948 42.050 42.059 -1.595 0.000 1.339 346 L HN 0.024 nan 8.230 nan 0.000 0.420 347 F N -0.964 118.902 119.950 -0.140 0.000 3.048 347 F HA -0.278 4.249 4.527 -0.000 0.000 0.287 347 F C 0.889 176.679 175.800 -0.017 0.000 0.796 347 F CA 0.085 58.048 58.000 -0.062 0.000 1.111 347 F CB -1.328 37.614 39.000 -0.097 0.000 1.320 347 F HN 0.513 nan 8.300 nan 0.000 0.430 348 Q N 2.287 122.079 119.800 -0.014 0.000 2.421 348 Q HA 0.078 4.418 4.340 -0.000 0.000 0.255 348 Q C -0.945 174.917 176.000 -0.230 0.000 1.013 348 Q CA -0.866 54.864 55.803 -0.122 0.000 0.895 348 Q CB 0.278 28.940 28.738 -0.126 0.000 1.271 348 Q HN 0.088 nan 8.270 nan 0.000 0.460 349 P HA -0.014 nan 4.420 nan 0.000 0.253 349 P C -0.621 176.285 177.300 -0.655 0.000 1.260 349 P CA 0.251 63.031 63.100 -0.533 0.000 0.800 349 P CB 0.156 31.541 31.700 -0.525 0.000 1.162 350 Y N 1.286 121.410 120.300 -0.293 0.000 2.465 350 Y HA 0.417 4.967 4.550 -0.000 0.000 0.331 350 Y C 1.823 177.629 175.900 -0.156 0.000 1.102 350 Y CA 1.170 58.919 58.100 -0.585 0.000 1.358 350 Y CB 0.064 38.002 38.460 -0.869 0.000 1.213 350 Y HN 0.204 nan 8.280 nan 0.000 0.525 351 G N 0.819 109.745 108.800 0.210 0.000 2.548 351 G HA2 0.360 4.320 3.960 -0.000 0.000 0.208 351 G HA3 0.360 4.320 3.960 -0.000 0.000 0.208 351 G C -0.025 174.904 174.900 0.049 0.000 1.308 351 G CA -0.405 44.894 45.100 0.331 0.000 0.924 351 G HN 1.773 nan 8.290 nan 0.000 0.540 352 G N -2.271 106.395 108.800 -0.224 0.000 2.615 352 G HA2 0.412 4.372 3.960 -0.000 0.000 0.218 352 G HA3 0.412 4.372 3.960 -0.000 0.000 0.218 352 G C -0.278 174.202 174.900 -0.701 0.000 1.339 352 G CA 0.501 45.242 45.100 -0.598 0.000 0.884 352 G HN 1.924 nan 8.290 nan 0.000 0.559 353 F N -0.100 119.893 119.950 0.072 0.000 2.640 353 F HA 0.709 5.236 4.527 -0.000 0.000 0.324 353 F C -2.093 173.741 175.800 0.056 0.000 1.077 353 F CA -2.098 55.932 58.000 0.050 0.000 0.965 353 F CB 1.078 40.080 39.000 0.003 0.000 1.351 353 F HN 0.356 nan 8.300 nan 0.000 0.487 354 P HA 0.069 nan 4.420 nan 0.000 0.269 354 P C -0.993 176.384 177.300 0.129 0.000 1.215 354 P CA -0.130 63.062 63.100 0.153 0.000 0.780 354 P CB 0.413 32.181 31.700 0.113 0.000 0.898 355 D N 1.461 121.916 120.400 0.091 0.000 2.487 355 D HA 0.220 4.860 4.640 -0.000 0.000 0.243 355 D C 1.597 177.929 176.300 0.054 0.000 1.154 355 D CA 1.700 55.741 54.000 0.069 0.000 0.876 355 D CB 0.083 40.914 40.800 0.051 0.000 1.161 355 D HN 0.661 nan 8.370 nan 0.000 0.478 356 G N 1.122 109.950 108.800 0.046 0.000 2.313 356 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.215 356 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.215 356 G C 0.409 175.311 174.900 0.003 0.000 1.023 356 G CA 0.015 45.128 45.100 0.022 0.000 0.626 356 G HN 0.816 nan 8.290 nan 0.000 0.503 357 V N 2.597 122.516 119.914 0.007 0.000 2.508 357 V HA 0.724 4.844 4.120 -0.000 0.000 0.281 357 V C 0.422 176.451 176.094 -0.107 0.000 1.041 357 V CA -0.677 61.586 62.300 -0.062 0.000 1.016 357 V CB 0.746 32.518 31.823 -0.085 0.000 0.984 357 V HN 0.446 nan 8.190 nan 0.000 0.478 358 R N 4.225 124.638 120.500 -0.146 0.000 2.598 358 R HA 0.614 4.954 4.340 -0.000 0.000 0.279 358 R C -0.946 175.180 176.300 -0.290 0.000 0.984 358 R CA -0.833 55.166 56.100 -0.168 0.000 0.999 358 R CB 1.844 32.076 30.300 -0.112 0.000 1.114 358 R HN 0.636 nan 8.270 nan 0.000 0.493 359 V N 2.636 122.343 119.914 -0.344 0.000 2.385 359 V HA 0.167 4.287 4.120 -0.000 0.000 0.269 359 V C 0.159 176.067 176.094 -0.309 0.000 1.043 359 V CA -0.177 61.842 62.300 -0.470 0.000 0.906 359 V CB 0.708 32.052 31.823 -0.797 0.000 0.995 359 V HN 0.629 nan 8.190 nan 0.000 0.467 360 E N 5.059 125.132 120.200 -0.212 0.000 2.185 360 E HA 0.390 4.740 4.350 -0.000 0.000 0.261 360 E C -0.456 176.120 176.600 -0.041 0.000 0.879 360 E CA -0.724 55.606 56.400 -0.117 0.000 0.756 360 E CB 1.020 30.665 29.700 -0.092 0.000 1.152 360 E HN 0.656 nan 8.360 nan 0.000 0.416 361 N N 2.297 120.983 118.700 -0.023 0.000 2.727 361 N HA -0.212 4.528 4.740 -0.000 0.000 0.251 361 N C 0.650 176.284 175.510 0.206 0.000 1.040 361 N CA 1.200 54.288 53.050 0.063 0.000 0.712 361 N CB -1.092 37.426 38.487 0.053 0.000 0.912 361 N HN 1.086 nan 8.380 nan 0.000 0.545 362 G N -0.990 107.834 108.800 0.040 0.000 2.166 362 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 362 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 362 G C -0.177 174.582 174.900 -0.235 0.000 0.986 362 G CA 1.192 46.271 45.100 -0.035 0.000 0.683 362 G HN 0.823 nan 8.290 nan 0.000 0.527 363 H N -0.974 118.013 119.070 -0.139 0.000 2.851 363 H HA 0.696 5.252 4.556 -0.000 0.000 0.372 363 H C 0.221 175.386 175.328 -0.271 0.000 1.158 363 H CA -0.288 55.671 56.048 -0.148 0.000 1.159 363 H CB 1.590 31.325 29.762 -0.046 0.000 1.757 363 H HN 0.570 nan 8.280 nan 0.000 0.546 364 I N -1.743 118.706 120.570 -0.201 0.000 2.957 364 I HA 0.756 4.926 4.170 -0.000 0.000 0.310 364 I C -0.618 175.380 176.117 -0.199 0.000 1.063 364 I CA -0.516 60.586 61.300 -0.330 0.000 1.033 364 I CB 2.309 39.908 38.000 -0.667 0.000 1.230 364 I HN 0.438 nan 8.210 nan 0.000 0.447 365 T N 4.751 119.189 114.554 -0.192 0.000 2.815 365 T HA 0.459 4.809 4.350 -0.000 0.000 0.289 365 T C -0.176 174.431 174.700 -0.155 0.000 1.000 365 T CA -0.453 61.560 62.100 -0.145 0.000 0.958 365 T CB 0.910 69.720 68.868 -0.097 0.000 0.944 365 T HN 0.461 nan 8.240 nan 0.000 0.442 366 M N 6.004 125.472 119.600 -0.219 0.000 2.356 366 M HA 0.175 4.655 4.480 -0.000 0.000 0.348 366 M C -1.934 174.333 176.300 -0.056 0.000 1.595 366 M CA -2.173 52.990 55.300 -0.228 0.000 1.095 366 M CB -0.501 31.715 32.600 -0.639 0.000 1.963 366 M HN 0.321 nan 8.290 nan 0.000 0.459 367 P HA 0.143 nan 4.420 nan 0.000 0.276 367 P C -0.690 176.719 177.300 0.181 0.000 1.244 367 P CA -0.320 62.828 63.100 0.080 0.000 0.801 367 P CB 0.944 32.675 31.700 0.051 0.000 1.006 368 D N 1.674 122.166 120.400 0.154 0.000 2.688 368 D HA 0.211 4.851 4.640 -0.000 0.000 0.228 368 D C 0.149 176.494 176.300 0.076 0.000 1.116 368 D CA 0.265 54.350 54.000 0.142 0.000 1.023 368 D CB -0.352 40.495 40.800 0.079 0.000 1.100 368 D HN 0.222 nan 8.370 nan 0.000 0.487 369 L N 2.388 123.667 121.223 0.093 0.000 2.334 369 L HA 0.330 4.670 4.340 -0.000 0.000 0.277 369 L C -1.860 175.025 176.870 0.025 0.000 1.075 369 L CA -1.831 53.037 54.840 0.047 0.000 0.804 369 L CB 1.216 43.302 42.059 0.046 0.000 1.174 369 L HN -0.057 nan 8.230 nan 0.000 0.438 370 P HA 0.124 nan 4.420 nan 0.000 0.271 370 P C 0.371 177.676 177.300 0.009 0.000 1.218 370 P CA 0.485 63.584 63.100 -0.001 0.000 0.780 370 P CB 1.046 32.749 31.700 0.005 0.000 0.901 371 G N 2.286 111.092 108.800 0.010 0.000 2.552 371 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.265 371 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.265 371 G C 0.897 175.788 174.900 -0.017 0.000 1.234 371 G CA 0.145 45.258 45.100 0.023 0.000 0.944 371 G HN 0.440 nan 8.290 nan 0.000 0.568 372 I N 1.654 122.161 120.570 -0.105 0.000 2.439 372 I HA 0.215 4.385 4.170 -0.000 0.000 0.251 372 I C 2.349 178.305 176.117 -0.268 0.000 1.139 372 I CA 1.698 62.831 61.300 -0.279 0.000 1.438 372 I CB -0.355 37.219 38.000 -0.710 0.000 1.085 372 I HN 1.909 nan 8.210 nan 0.000 0.427 373 G N -0.151 108.536 108.800 -0.187 0.000 2.148 373 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.203 373 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.203 373 G C 0.643 175.554 174.900 0.018 0.000 0.993 373 G CA -0.230 44.835 45.100 -0.058 0.000 0.661 373 G HN 0.319 nan 8.290 nan 0.000 0.518 374 F N 0.728 120.747 119.950 0.115 0.000 2.161 374 F HA -0.035 4.492 4.527 -0.000 0.000 0.300 374 F C 2.546 178.351 175.800 0.007 0.000 1.089 374 F CA 1.444 59.517 58.000 0.122 0.000 1.282 374 F CB -0.014 39.112 39.000 0.211 0.000 1.010 374 F HN 0.234 nan 8.300 nan 0.000 0.485 375 E N 0.210 120.425 120.200 0.024 0.000 2.219 375 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 375 E C 2.301 178.815 176.600 -0.143 0.000 0.998 375 E CA 1.041 57.202 56.400 -0.398 0.000 0.818 375 E CB -0.684 28.729 29.700 -0.480 0.000 0.741 375 E HN 0.386 nan 8.360 nan 0.000 0.477 376 G N 0.090 108.888 108.800 -0.003 0.000 2.650 376 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.214 376 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.214 376 G C 0.553 175.498 174.900 0.076 0.000 1.136 376 G CA -0.112 45.009 45.100 0.036 0.000 0.789 376 G HN 0.081 nan 8.290 nan 0.000 0.536 377 K N 1.341 121.810 120.400 0.114 0.000 2.419 377 K HA 0.288 4.608 4.320 -0.000 0.000 0.244 377 K C 1.758 178.420 176.600 0.104 0.000 1.045 377 K CA 0.139 56.491 56.287 0.109 0.000 1.004 377 K CB 0.693 33.273 32.500 0.134 0.000 1.376 377 K HN 0.127 nan 8.250 nan 0.000 0.460 378 S N 2.775 118.527 115.700 0.086 0.000 2.368 378 S HA -0.265 4.205 4.470 -0.000 0.000 0.226 378 S C 1.483 176.109 174.600 0.043 0.000 1.044 378 S CA 1.969 60.225 58.200 0.094 0.000 1.062 378 S CB -0.411 62.827 63.200 0.063 0.000 0.931 378 S HN 0.835 nan 8.310 nan 0.000 0.440 379 D N 1.302 121.694 120.400 -0.013 0.000 2.218 379 D HA -0.065 4.575 4.640 -0.000 0.000 0.204 379 D C 1.963 178.177 176.300 -0.142 0.000 0.976 379 D CA 0.796 54.749 54.000 -0.078 0.000 0.853 379 D CB -0.576 40.166 40.800 -0.098 0.000 0.939 379 D HN 0.518 nan 8.370 nan 0.000 0.481 380 L N -1.130 120.021 121.223 -0.120 0.000 2.084 380 L HA -0.090 4.250 4.340 -0.000 0.000 0.202 380 L C 2.428 179.226 176.870 -0.120 0.000 1.074 380 L CA 0.697 55.416 54.840 -0.202 0.000 0.757 380 L CB -0.369 41.607 42.059 -0.139 0.000 0.918 380 L HN -0.068 nan 8.230 nan 0.000 0.444 381 Y N 1.403 121.621 120.300 -0.138 0.000 2.256 381 Y HA -0.333 4.217 4.550 -0.000 0.000 0.288 381 Y C 2.637 178.441 175.900 -0.160 0.000 1.155 381 Y CA 1.967 59.977 58.100 -0.150 0.000 1.203 381 Y CB -0.320 38.117 38.460 -0.039 0.000 0.980 381 Y HN 0.133 nan 8.280 nan 0.000 0.530 382 K N -0.030 120.256 120.400 -0.189 0.000 2.063 382 K HA -0.272 4.048 4.320 -0.000 0.000 0.208 382 K C 1.991 178.437 176.600 -0.257 0.000 1.048 382 K CA 2.005 58.148 56.287 -0.240 0.000 0.928 382 K CB -0.181 32.242 32.500 -0.127 0.000 0.713 382 K HN 0.208 nan 8.250 nan 0.000 0.442 383 E N 0.456 120.524 120.200 -0.219 0.000 2.072 383 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 383 E C 1.954 178.430 176.600 -0.206 0.000 0.985 383 E CA 1.526 57.824 56.400 -0.170 0.000 0.801 383 E CB -0.019 29.599 29.700 -0.137 0.000 0.750 383 E HN 0.348 nan 8.360 nan 0.000 0.452 384 M N 0.283 119.673 119.600 -0.350 0.000 2.099 384 M HA -0.140 4.340 4.480 -0.000 0.000 0.262 384 M C 2.072 178.108 176.300 -0.440 0.000 1.067 384 M CA 1.747 56.722 55.300 -0.542 0.000 1.124 384 M CB -0.343 31.592 32.600 -1.108 0.000 1.353 384 M HN 0.006 nan 8.290 nan 0.000 0.410 385 K N 0.522 120.584 120.400 -0.563 0.000 2.283 385 K HA 0.056 4.376 4.320 -0.000 0.000 0.202 385 K C 1.796 178.306 176.600 -0.151 0.000 1.048 385 K CA 1.284 57.379 56.287 -0.321 0.000 0.948 385 K CB -0.373 31.808 32.500 -0.531 0.000 0.742 385 K HN 0.223 nan 8.250 nan 0.000 0.458 386 A N 1.606 124.326 122.820 -0.167 0.000 2.015 386 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 386 A C 2.087 179.653 177.584 -0.029 0.000 1.163 386 A CA 0.884 52.869 52.037 -0.086 0.000 0.646 386 A CB -0.346 18.602 19.000 -0.088 0.000 0.806 386 A HN 0.337 nan 8.150 nan 0.000 0.448 387 L N -1.471 119.747 121.223 -0.008 0.000 2.068 387 L HA 0.416 4.756 4.340 -0.000 0.000 0.204 387 L C 0.762 177.686 176.870 0.090 0.000 1.076 387 L CA 1.727 56.597 54.840 0.052 0.000 0.753 387 L CB -0.253 41.860 42.059 0.089 0.000 0.910 387 L HN 0.438 nan 8.230 nan 0.000 0.439 388 A N -1.068 121.842 122.820 0.149 0.000 2.577 388 A HA 0.629 4.949 4.320 -0.000 0.000 0.297 388 A C -0.863 176.841 177.584 0.201 0.000 1.060 388 A CA -0.515 51.612 52.037 0.150 0.000 0.697 388 A CB 0.896 19.981 19.000 0.142 0.000 1.281 388 A HN 0.225 nan 8.150 nan 0.000 0.402 389 E N 0.000 120.278 120.200 0.130 0.000 2.725 389 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 389 E CA 0.000 56.487 56.400 0.145 0.000 0.976 389 E CB 0.000 29.752 29.700 0.086 0.000 0.812 389 E HN 0.000 nan 8.360 nan 0.000 0.440