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 2vdu_1_B DATA FIRST_RESID 2 DATA SEQUENCE SVIHPLQNLL TSRDGSLVFA IIKNCILSFK YQSPNHWEFA GKWSDDFXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXPI DATA SEQUENCE YSYIRNLRLT SDESRLIACA DSDKSLLVFD VDKTSKNVLK LRKRFCFSKR DATA SEQUENCE PNAISIAEDD TTVIIADKFG DVYSIDINSI PEEKFTQEPI LGHVSMLTDV DATA SEQUENCE HLIKDSDGHQ FIITSDRDEH IKISHYPQCF IVDKWLFGHK HFVSSICCGK DATA SEQUENCE DYLLLSAGGD DKIFAWDWKT GKNLSTFDYN SLIKPYLNDQ HLAXXXXXXX DATA SEQUENCE XXXIIEFAVS KIIKSKNLPF VAFFVEATKC IIILEMSEKQ KGDLALKQII DATA SEQUENCE TFPYNVISLS AHNDEFQVTL DNKESSGVQK NFAKFIEYNL NENSFVVNNE DATA SEQUENCE KSNEFDSAII QSVQGDSNLV TKKEEIYPLY NVSSL 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 0.000 174.605 174.600 0.008 0.000 1.055 2 S CA 0.000 58.203 58.200 0.005 0.000 1.107 2 S CB 0.000 63.203 63.200 0.004 0.000 0.593 3 V N 4.851 124.770 119.914 0.008 0.000 2.680 3 V HA 0.608 4.729 4.120 0.001 0.000 0.309 3 V C -0.501 175.616 176.094 0.037 0.000 1.052 3 V CA -0.923 61.384 62.300 0.012 0.000 0.908 3 V CB 1.667 33.477 31.823 -0.022 0.000 1.001 3 V HN 0.835 nan 8.190 nan 0.000 0.431 4 I N 5.771 126.396 120.570 0.093 0.000 2.496 4 I HA 0.217 4.387 4.170 0.001 0.000 0.285 4 I C 0.610 176.823 176.117 0.159 0.000 1.080 4 I CA -0.331 61.048 61.300 0.132 0.000 1.404 4 I CB 0.323 38.431 38.000 0.179 0.000 1.403 4 I HN 0.630 nan 8.210 nan 0.000 0.539 5 H N 8.020 127.104 119.070 0.025 0.000 3.070 5 H HA 0.071 4.628 4.556 0.001 0.000 0.313 5 H C -2.210 173.160 175.328 0.070 0.000 0.997 5 H CA -1.115 54.933 56.048 -0.000 0.000 1.438 5 H CB 0.657 30.369 29.762 -0.083 0.000 1.455 5 H HN 0.280 nan 8.280 nan 0.000 0.575 6 P HA -0.012 nan 4.420 nan 0.000 0.269 6 P C -0.050 177.384 177.300 0.223 0.000 1.217 6 P CA -0.028 63.166 63.100 0.157 0.000 0.783 6 P CB 0.671 32.349 31.700 -0.038 0.000 0.898 7 L N 2.305 123.643 121.223 0.191 0.000 2.380 7 L HA 0.125 4.466 4.340 0.001 0.000 0.273 7 L C 1.503 178.431 176.870 0.097 0.000 1.138 7 L CA -0.021 54.902 54.840 0.137 0.000 0.832 7 L CB 0.377 42.512 42.059 0.126 0.000 1.124 7 L HN 0.410 nan 8.230 nan 0.000 0.454 8 Q N 1.589 121.456 119.800 0.111 0.000 2.250 8 Q HA 0.128 4.469 4.340 0.001 0.000 0.200 8 Q C -0.284 175.751 176.000 0.059 0.000 0.941 8 Q CA 0.823 56.682 55.803 0.094 0.000 0.872 8 Q CB 0.448 29.277 28.738 0.153 0.000 0.965 8 Q HN 0.659 nan 8.270 nan 0.000 0.480 9 N N -1.623 117.119 118.700 0.070 0.000 2.745 9 N HA 0.458 5.199 4.740 0.001 0.000 0.256 9 N C -2.002 173.552 175.510 0.073 0.000 1.268 9 N CA -0.450 52.633 53.050 0.055 0.000 0.887 9 N CB 1.597 40.126 38.487 0.071 0.000 1.575 9 N HN -0.124 nan 8.380 nan 0.000 0.496 10 L N 1.259 122.509 121.223 0.044 0.000 2.319 10 L HA 0.680 5.021 4.340 0.001 0.000 0.267 10 L C -1.107 175.831 176.870 0.112 0.000 1.011 10 L CA -0.837 54.045 54.840 0.072 0.000 0.818 10 L CB 1.945 43.975 42.059 -0.049 0.000 1.316 10 L HN 0.324 nan 8.230 nan 0.000 0.432 11 L N 1.198 122.535 121.223 0.190 0.000 2.516 11 L HA 0.506 4.847 4.340 0.001 0.000 0.267 11 L C -1.312 175.719 176.870 0.269 0.000 0.957 11 L CA 0.013 54.984 54.840 0.219 0.000 0.860 11 L CB 2.230 44.420 42.059 0.219 0.000 1.265 11 L HN 0.634 nan 8.230 nan 0.000 0.403 12 T N 2.349 117.031 114.554 0.213 0.000 2.771 12 T HA 0.300 4.650 4.350 0.001 0.000 0.281 12 T C 0.372 175.215 174.700 0.238 0.000 0.982 12 T CA -0.306 61.878 62.100 0.140 0.000 0.978 12 T CB 1.412 70.238 68.868 -0.069 0.000 0.930 12 T HN 0.732 nan 8.240 nan 0.000 0.447 13 S N 3.185 119.001 115.700 0.194 0.000 2.572 13 S HA 0.030 4.501 4.470 0.001 0.000 0.267 13 S C 1.723 176.507 174.600 0.307 0.000 1.361 13 S CA -0.469 57.867 58.200 0.228 0.000 1.009 13 S CB 0.530 63.834 63.200 0.173 0.000 0.888 13 S HN 0.854 nan 8.310 nan 0.000 0.553 14 R N 1.090 121.740 120.500 0.250 0.000 2.105 14 R HA -0.153 4.188 4.340 0.001 0.000 0.239 14 R C 1.282 177.766 176.300 0.307 0.000 1.135 14 R CA 1.949 58.189 56.100 0.232 0.000 0.967 14 R CB -1.114 29.251 30.300 0.108 0.000 0.861 14 R HN 0.809 nan 8.270 nan 0.000 0.442 15 D N -0.822 119.710 120.400 0.221 0.000 2.289 15 D HA 0.052 4.693 4.640 0.001 0.000 0.207 15 D C 1.355 177.765 176.300 0.182 0.000 0.966 15 D CA 1.047 55.151 54.000 0.174 0.000 0.868 15 D CB 0.109 40.967 40.800 0.096 0.000 0.943 15 D HN 0.499 nan 8.370 nan 0.000 0.514 16 G N -0.371 108.492 108.800 0.104 0.000 2.184 16 G HA2 -0.296 3.664 3.960 0.001 0.000 0.206 16 G HA3 -0.296 3.664 3.960 0.001 0.000 0.206 16 G C 1.118 175.981 174.900 -0.063 0.000 0.995 16 G CA 0.648 45.648 45.100 -0.168 0.000 0.651 16 G HN 0.680 nan 8.290 nan 0.000 0.511 17 S N -0.784 114.926 115.700 0.016 0.000 2.528 17 S HA 0.541 5.011 4.470 0.001 0.000 0.219 17 S C 0.786 175.396 174.600 0.016 0.000 0.985 17 S CA 0.216 58.435 58.200 0.032 0.000 0.914 17 S CB 0.392 63.599 63.200 0.012 0.000 0.776 17 S HN 0.533 nan 8.310 nan 0.000 0.526 18 L N 1.925 123.140 121.223 -0.014 0.000 2.333 18 L HA 0.653 4.993 4.340 0.001 0.000 0.280 18 L C -1.389 175.409 176.870 -0.120 0.000 1.004 18 L CA -0.733 54.044 54.840 -0.104 0.000 0.820 18 L CB 2.155 44.139 42.059 -0.126 0.000 1.247 18 L HN 0.022 nan 8.230 nan 0.000 0.416 19 V N 3.858 123.697 119.914 -0.124 0.000 2.588 19 V HA 0.499 4.620 4.120 0.001 0.000 0.304 19 V C -0.790 175.228 176.094 -0.125 0.000 1.042 19 V CA -0.531 61.782 62.300 0.023 0.000 0.877 19 V CB 2.010 34.027 31.823 0.325 0.000 0.996 19 V HN 0.399 nan 8.190 nan 0.000 0.425 20 F N 2.406 122.485 119.950 0.215 0.000 2.522 20 F HA 0.867 5.394 4.527 0.001 0.000 0.324 20 F C 0.384 176.300 175.800 0.194 0.000 1.077 20 F CA -0.597 57.508 58.000 0.174 0.000 0.944 20 F CB 2.143 41.176 39.000 0.055 0.000 1.175 20 F HN 0.571 nan 8.300 nan 0.000 0.468 21 A N 3.219 126.280 122.820 0.401 0.000 2.422 21 A HA 0.803 5.124 4.320 0.001 0.000 0.302 21 A C -1.152 176.569 177.584 0.229 0.000 1.041 21 A CA -0.607 51.611 52.037 0.302 0.000 0.708 21 A CB 1.015 20.230 19.000 0.358 0.000 1.257 21 A HN 0.725 nan 8.150 nan 0.000 0.414 22 I N 2.280 122.954 120.570 0.173 0.000 2.331 22 I HA 0.387 4.558 4.170 0.001 0.000 0.292 22 I C -1.147 175.040 176.117 0.117 0.000 0.998 22 I CA -0.457 60.931 61.300 0.147 0.000 1.267 22 I CB 1.333 39.418 38.000 0.142 0.000 1.386 22 I HN 0.476 nan 8.210 nan 0.000 0.476 23 I N 6.320 126.931 120.570 0.067 0.000 2.468 23 I HA 0.440 4.610 4.170 0.001 0.000 0.285 23 I C 0.199 176.175 176.117 -0.235 0.000 1.039 23 I CA -0.636 60.646 61.300 -0.030 0.000 1.074 23 I CB 1.418 39.406 38.000 -0.019 0.000 1.228 23 I HN 0.584 nan 8.210 nan 0.000 0.436 24 K N 3.751 123.832 120.400 -0.532 0.000 1.867 24 K HA -0.296 4.025 4.320 0.001 0.000 0.140 24 K C 0.518 176.984 176.600 -0.223 0.000 1.408 24 K CA 2.166 57.941 56.287 -0.854 0.000 0.461 24 K CB -0.489 31.310 32.500 -1.167 0.000 0.594 24 K HN 1.030 nan 8.250 nan 0.000 0.888 25 N N 1.191 119.784 118.700 -0.178 0.000 2.346 25 N HA 0.119 4.860 4.740 0.001 0.000 0.225 25 N C -0.629 174.901 175.510 0.034 0.000 1.144 25 N CA 0.123 53.199 53.050 0.044 0.000 0.837 25 N CB -0.453 38.065 38.487 0.052 0.000 1.069 25 N HN 0.336 nan 8.380 nan 0.000 0.487 26 C N 0.314 119.643 119.300 0.049 0.000 2.802 26 C HA 0.618 5.079 4.460 0.001 0.000 0.307 26 C C -0.010 175.111 174.990 0.217 0.000 1.222 26 C CA -0.981 58.106 59.018 0.114 0.000 1.580 26 C CB 1.426 29.174 27.740 0.013 0.000 2.119 26 C HN 0.293 nan 8.230 nan 0.000 0.479 27 I N 2.329 123.085 120.570 0.311 0.000 2.406 27 I HA 0.469 4.640 4.170 0.001 0.000 0.290 27 I C -0.746 175.483 176.117 0.186 0.000 0.999 27 I CA -0.230 61.200 61.300 0.217 0.000 1.124 27 I CB 0.998 39.047 38.000 0.083 0.000 1.289 27 I HN 0.373 nan 8.210 nan 0.000 0.441 28 L N 5.257 126.593 121.223 0.188 0.000 2.317 28 L HA 0.550 4.891 4.340 0.001 0.000 0.281 28 L C -0.175 176.708 176.870 0.022 0.000 1.024 28 L CA -0.405 54.483 54.840 0.081 0.000 0.810 28 L CB 1.791 43.974 42.059 0.207 0.000 1.240 28 L HN 0.539 nan 8.230 nan 0.000 0.427 29 S N 1.859 117.370 115.700 -0.316 0.000 2.501 29 S HA 0.772 5.243 4.470 0.001 0.000 0.301 29 S C -0.895 173.334 174.600 -0.618 0.000 1.096 29 S CA -0.483 57.505 58.200 -0.354 0.000 1.063 29 S CB 1.310 64.323 63.200 -0.311 0.000 1.042 29 S HN 0.255 nan 8.310 nan 0.000 0.494 30 F N 1.227 121.112 119.950 -0.110 0.000 2.578 30 F HA 0.464 4.992 4.527 0.001 0.000 0.311 30 F C 0.223 176.079 175.800 0.093 0.000 1.094 30 F CA -0.941 57.124 58.000 0.109 0.000 0.923 30 F CB 1.757 41.008 39.000 0.417 0.000 1.230 30 F HN 0.288 nan 8.300 nan 0.000 0.450 31 K N 1.755 122.320 120.400 0.275 0.000 2.123 31 K HA 0.496 4.817 4.320 0.001 0.000 0.259 31 K C -1.765 174.947 176.600 0.186 0.000 0.960 31 K CA -0.969 55.408 56.287 0.149 0.000 0.872 31 K CB 2.237 34.766 32.500 0.048 0.000 1.079 31 K HN 0.632 nan 8.250 nan 0.000 0.440 32 Y N 1.055 121.275 120.300 -0.134 0.000 2.442 32 Y HA 0.225 4.775 4.550 0.001 0.000 0.344 32 Y C -1.373 174.358 175.900 -0.282 0.000 0.976 32 Y CA -0.508 57.352 58.100 -0.399 0.000 1.040 32 Y CB 2.082 40.092 38.460 -0.750 0.000 1.228 32 Y HN 0.534 nan 8.280 nan 0.000 0.451 33 Q N 3.543 122.754 119.800 -0.983 0.000 2.305 33 Q HA 0.444 4.785 4.340 0.001 0.000 0.271 33 Q C -0.992 174.471 176.000 -0.894 0.000 1.046 33 Q CA -0.942 54.428 55.803 -0.722 0.000 0.798 33 Q CB 2.538 31.070 28.738 -0.344 0.000 1.286 33 Q HN 0.710 nan 8.270 nan 0.000 0.435 34 S N 2.093 117.398 115.700 -0.660 0.000 2.614 34 S HA 0.389 4.860 4.470 0.001 0.000 0.265 34 S C -2.280 172.272 174.600 -0.080 0.000 1.303 34 S CA -0.840 57.124 58.200 -0.394 0.000 1.000 34 S CB 0.356 63.468 63.200 -0.147 0.000 0.935 34 S HN 0.356 nan 8.310 nan 0.000 0.551 35 P HA 0.404 nan 4.420 nan 0.000 0.288 35 P C -0.762 176.254 177.300 -0.473 0.000 1.363 35 P CA -0.290 62.684 63.100 -0.211 0.000 0.837 35 P CB -0.428 31.208 31.700 -0.106 0.000 0.981 36 N N 0.428 118.859 118.700 -0.449 0.000 2.921 36 N HA -0.116 4.624 4.740 0.001 0.000 0.248 36 N C -0.598 174.632 175.510 -0.466 0.000 1.118 36 N CA -0.084 52.795 53.050 -0.285 0.000 0.740 36 N CB -1.535 36.896 38.487 -0.095 0.000 1.091 36 N HN 0.603 nan 8.380 nan 0.000 0.553 37 H N -0.300 118.477 119.070 -0.488 0.000 2.594 37 H HA 0.220 4.776 4.556 0.001 0.000 0.304 37 H C -0.519 174.616 175.328 -0.322 0.000 1.068 37 H CA 0.081 55.951 56.048 -0.296 0.000 1.308 37 H CB 0.264 29.861 29.762 -0.275 0.000 1.409 37 H HN 0.199 nan 8.280 nan 0.000 0.460 38 W N 2.382 123.798 121.300 0.195 0.000 2.417 38 W HA 0.273 4.934 4.660 0.001 0.000 0.315 38 W C 0.321 176.992 176.519 0.253 0.000 1.045 38 W CA -0.635 56.870 57.345 0.266 0.000 1.221 38 W CB 1.468 31.074 29.460 0.245 0.000 1.309 38 W HN 0.541 nan 8.180 nan 0.000 0.453 39 E N 4.045 124.529 120.200 0.473 0.000 2.165 39 E HA 0.242 4.592 4.350 0.001 0.000 0.266 39 E C -1.093 175.732 176.600 0.374 0.000 0.889 39 E CA -1.024 55.583 56.400 0.345 0.000 0.756 39 E CB 1.035 30.840 29.700 0.175 0.000 1.131 39 E HN 0.318 nan 8.360 nan 0.000 0.411 40 F N 3.830 123.875 119.950 0.159 0.000 2.572 40 F HA 0.250 4.777 4.527 0.001 0.000 0.370 40 F C 0.262 175.979 175.800 -0.138 0.000 1.103 40 F CA 0.544 58.469 58.000 -0.126 0.000 1.286 40 F CB 1.050 39.974 39.000 -0.128 0.000 1.105 40 F HN 0.538 nan 8.300 nan 0.000 0.583 41 A N 4.271 126.511 122.820 -0.967 0.000 2.594 41 A HA 0.640 4.960 4.320 0.001 0.000 0.292 41 A C 0.261 177.391 177.584 -0.756 0.000 1.026 41 A CA 0.268 51.931 52.037 -0.622 0.000 0.983 41 A CB -0.666 18.139 19.000 -0.326 0.000 1.233 41 A HN 1.728 nan 8.150 nan 0.000 0.519 42 G N -0.199 107.752 108.800 -1.416 0.000 2.402 42 G HA2 0.298 4.259 3.960 0.001 0.000 0.666 42 G HA3 0.298 4.259 3.960 0.001 0.000 0.666 42 G C -1.026 173.560 174.900 -0.524 0.000 1.402 42 G CA -0.409 44.258 45.100 -0.722 0.000 0.920 42 G HN 0.674 nan 8.290 nan 0.000 0.651 43 K N -0.105 120.287 120.400 -0.014 0.000 2.507 43 K HA 0.578 4.898 4.320 0.001 0.000 0.252 43 K C -1.239 175.475 176.600 0.190 0.000 0.943 43 K CA -1.014 55.365 56.287 0.153 0.000 0.808 43 K CB 1.477 34.148 32.500 0.285 0.000 1.142 43 K HN 0.714 nan 8.250 nan 0.000 0.426 44 W N 4.208 125.525 121.300 0.028 0.000 2.478 44 W HA 0.429 5.089 4.660 0.001 0.000 0.318 44 W C -0.973 175.596 176.519 0.084 0.000 1.062 44 W CA -0.233 57.160 57.345 0.079 0.000 1.210 44 W CB 1.345 30.877 29.460 0.119 0.000 1.325 44 W HN 0.593 nan 8.180 nan 0.000 0.496 45 S N 3.383 118.585 115.700 -0.830 0.000 2.532 45 S HA 0.315 4.785 4.470 0.001 0.000 0.301 45 S C -1.136 172.580 174.600 -1.473 0.000 1.083 45 S CA -0.950 56.754 58.200 -0.827 0.000 1.025 45 S CB 1.811 64.774 63.200 -0.395 0.000 1.056 45 S HN 0.498 nan 8.310 nan 0.000 0.494 46 D N 0.975 120.797 120.400 -0.962 0.000 2.336 46 D HA 0.244 4.885 4.640 0.001 0.000 0.249 46 D C -0.898 175.263 176.300 -0.232 0.000 1.213 46 D CA 0.093 53.745 54.000 -0.579 0.000 0.870 46 D CB 0.405 41.185 40.800 -0.032 0.000 1.076 46 D HN 0.384 nan 8.370 nan 0.000 0.483 47 D N 4.758 125.069 120.400 -0.148 0.000 2.772 47 D HA 0.117 4.757 4.640 0.001 0.000 0.273 47 D C -0.485 175.878 176.300 0.105 0.000 1.233 47 D CA -0.308 53.667 54.000 -0.041 0.000 0.984 47 D CB -0.106 40.644 40.800 -0.082 0.000 1.000 47 D HN 0.291 nan 8.370 nan 0.000 0.514 101 I N 0.526 120.764 120.570 -0.554 0.000 2.497 101 I HA 0.302 4.473 4.170 0.001 0.000 0.284 101 I C -1.345 174.398 176.117 -0.624 0.000 1.060 101 I CA -0.355 60.683 61.300 -0.435 0.000 1.071 101 I CB 1.353 39.246 38.000 -0.179 0.000 1.216 101 I HN 0.296 nan 8.210 nan 0.000 0.442 102 Y N 3.883 124.007 120.300 -0.293 0.000 2.334 102 Y HA 0.203 4.753 4.550 0.001 0.000 0.336 102 Y C 0.946 176.451 175.900 -0.658 0.000 0.960 102 Y CA -0.668 56.935 58.100 -0.829 0.000 1.164 102 Y CB 1.879 39.525 38.460 -1.357 0.000 1.155 102 Y HN 0.438 nan 8.280 nan 0.000 0.478 103 S N 4.805 120.345 115.700 -0.267 0.000 4.175 103 S HA 0.148 4.619 4.470 0.001 0.000 0.193 103 S C -0.329 174.349 174.600 0.130 0.000 1.373 103 S CA -0.347 57.873 58.200 0.033 0.000 0.908 103 S CB -1.182 62.113 63.200 0.158 0.000 1.547 103 S HN 0.487 nan 8.310 nan 0.000 0.440 104 Y N 2.423 122.781 120.300 0.096 0.000 2.578 104 Y HA 0.176 4.727 4.550 0.001 0.000 0.339 104 Y C 0.895 176.903 175.900 0.181 0.000 1.231 104 Y CA -0.071 58.130 58.100 0.169 0.000 1.461 104 Y CB 0.433 38.940 38.460 0.078 0.000 1.323 104 Y HN 0.319 nan 8.280 nan 0.000 0.590 105 I N 4.085 124.883 120.570 0.380 0.000 2.509 105 I HA 0.482 4.653 4.170 0.001 0.000 0.293 105 I C -0.400 175.849 176.117 0.219 0.000 1.020 105 I CA -0.835 60.633 61.300 0.280 0.000 1.088 105 I CB 1.911 40.087 38.000 0.294 0.000 1.267 105 I HN 0.733 nan 8.210 nan 0.000 0.430 106 R N 4.073 124.657 120.500 0.140 0.000 2.734 106 R HA 0.471 4.812 4.340 0.001 0.000 0.271 106 R C -0.953 175.370 176.300 0.040 0.000 1.021 106 R CA -0.663 55.485 56.100 0.080 0.000 0.893 106 R CB 1.323 31.647 30.300 0.039 0.000 1.244 106 R HN 0.547 nan 8.270 nan 0.000 0.464 107 N N 0.530 119.242 118.700 0.020 0.000 2.780 107 N HA -0.136 4.605 4.740 0.001 0.000 0.247 107 N C -0.543 174.960 175.510 -0.011 0.000 1.076 107 N CA 0.634 53.681 53.050 -0.005 0.000 0.688 107 N CB -1.239 37.229 38.487 -0.033 0.000 0.957 107 N HN 0.581 nan 8.380 nan 0.000 0.551 108 L N -0.141 121.079 121.223 -0.004 0.000 2.525 108 L HA 0.122 4.463 4.340 0.001 0.000 0.278 108 L C 1.004 177.851 176.870 -0.039 0.000 1.218 108 L CA 0.727 55.541 54.840 -0.044 0.000 0.878 108 L CB 0.250 42.285 42.059 -0.040 0.000 1.127 108 L HN 0.147 nan 8.230 nan 0.000 0.492 109 R N 2.993 123.452 120.500 -0.069 0.000 2.566 109 R HA 0.559 4.899 4.340 0.001 0.000 0.271 109 R C -1.577 174.686 176.300 -0.063 0.000 1.071 109 R CA -0.449 55.625 56.100 -0.042 0.000 0.915 109 R CB 1.356 31.636 30.300 -0.034 0.000 1.228 109 R HN 0.467 nan 8.270 nan 0.000 0.449 110 L N 3.150 124.357 121.223 -0.028 0.000 2.309 110 L HA 0.517 4.858 4.340 0.001 0.000 0.282 110 L C 0.665 177.537 176.870 0.004 0.000 1.036 110 L CA -0.760 54.069 54.840 -0.018 0.000 0.806 110 L CB 1.891 43.971 42.059 0.035 0.000 1.220 110 L HN 0.880 nan 8.230 nan 0.000 0.429 111 T N -1.243 113.314 114.554 0.004 0.000 2.663 111 T HA -0.068 4.283 4.350 0.001 0.000 0.325 111 T C 1.210 175.924 174.700 0.024 0.000 1.059 111 T CA -0.049 62.058 62.100 0.012 0.000 1.039 111 T CB 0.756 69.632 68.868 0.015 0.000 0.996 111 T HN 0.573 nan 8.240 nan 0.000 0.539 112 S N 0.362 116.076 115.700 0.022 0.000 2.406 112 S HA -0.094 4.377 4.470 0.001 0.000 0.228 112 S C 1.448 176.069 174.600 0.035 0.000 1.020 112 S CA 1.308 59.525 58.200 0.028 0.000 0.965 112 S CB -0.890 62.323 63.200 0.022 0.000 0.798 112 S HN 0.917 nan 8.310 nan 0.000 0.488 113 D N 0.106 120.526 120.400 0.033 0.000 2.340 113 D HA 0.075 4.716 4.640 0.001 0.000 0.220 113 D C 0.391 176.719 176.300 0.047 0.000 1.039 113 D CA 0.153 54.175 54.000 0.037 0.000 0.866 113 D CB -0.573 40.246 40.800 0.032 0.000 0.913 113 D HN 0.470 nan 8.370 nan 0.000 0.523 114 E N -0.805 119.425 120.200 0.051 0.000 3.065 114 E HA -0.312 4.038 4.350 0.001 0.000 0.277 114 E C 1.019 177.658 176.600 0.064 0.000 1.008 114 E CA 0.777 57.217 56.400 0.066 0.000 0.864 114 E CB -1.555 28.200 29.700 0.092 0.000 1.439 114 E HN 0.561 nan 8.360 nan 0.000 0.445 115 S N -0.345 115.384 115.700 0.049 0.000 2.383 115 S HA -0.078 4.392 4.470 0.001 0.000 0.227 115 S C 1.032 175.659 174.600 0.045 0.000 1.026 115 S CA 0.678 58.906 58.200 0.047 0.000 0.981 115 S CB 0.274 63.498 63.200 0.039 0.000 0.818 115 S HN 0.248 nan 8.310 nan 0.000 0.472 116 R N -0.353 120.167 120.500 0.034 0.000 2.854 116 R HA 0.738 5.079 4.340 0.001 0.000 0.271 116 R C -1.784 174.511 176.300 -0.008 0.000 0.994 116 R CA -0.872 55.245 56.100 0.027 0.000 0.945 116 R CB 1.772 32.091 30.300 0.032 0.000 1.194 116 R HN 0.309 nan 8.270 nan 0.000 0.476 117 L N 3.161 124.372 121.223 -0.021 0.000 2.386 117 L HA 0.629 4.970 4.340 0.001 0.000 0.271 117 L C -1.040 175.834 176.870 0.007 0.000 0.993 117 L CA -0.484 54.288 54.840 -0.113 0.000 0.819 117 L CB 1.679 43.508 42.059 -0.383 0.000 1.294 117 L HN 0.661 nan 8.230 nan 0.000 0.414 118 I N 2.123 122.680 120.570 -0.022 0.000 2.797 118 I HA 1.065 5.236 4.170 0.001 0.000 0.307 118 I C -0.519 175.602 176.117 0.007 0.000 1.033 118 I CA -0.564 60.754 61.300 0.029 0.000 1.071 118 I CB 2.007 40.012 38.000 0.009 0.000 1.255 118 I HN 0.836 nan 8.210 nan 0.000 0.445 119 A N 2.592 125.436 122.820 0.041 0.000 2.540 119 A HA 0.723 5.044 4.320 0.001 0.000 0.291 119 A C -1.661 175.949 177.584 0.042 0.000 1.083 119 A CA -0.591 51.466 52.037 0.033 0.000 0.650 119 A CB 1.123 20.150 19.000 0.045 0.000 1.292 119 A HN 0.860 nan 8.150 nan 0.000 0.435 120 C N 0.799 120.125 119.300 0.044 0.000 2.417 120 C HA 0.850 5.311 4.460 0.001 0.000 0.324 120 C C 0.655 175.699 174.990 0.090 0.000 1.240 120 C CA -0.094 58.946 59.018 0.037 0.000 1.632 120 C CB 0.613 28.347 27.740 -0.010 0.000 2.241 120 C HN 1.282 nan 8.230 nan 0.000 0.499 121 A N 2.197 125.068 122.820 0.085 0.000 2.273 121 A HA 0.506 4.827 4.320 0.001 0.000 0.315 121 A C 0.451 178.070 177.584 0.059 0.000 1.256 121 A CA -0.205 51.903 52.037 0.118 0.000 0.851 121 A CB 0.377 19.457 19.000 0.134 0.000 1.172 121 A HN 0.883 nan 8.150 nan 0.000 0.508 122 D N 1.419 121.881 120.400 0.103 0.000 2.144 122 D HA -0.132 4.508 4.640 0.001 0.000 0.200 122 D C 2.344 178.659 176.300 0.024 0.000 0.978 122 D CA 2.025 56.074 54.000 0.082 0.000 0.833 122 D CB -0.002 40.903 40.800 0.175 0.000 0.961 122 D HN 0.650 nan 8.370 nan 0.000 0.470 123 S N -0.323 115.387 115.700 0.017 0.000 2.420 123 S HA -0.206 4.265 4.470 0.001 0.000 0.237 123 S C 1.424 175.861 174.600 -0.272 0.000 1.023 123 S CA 1.542 59.725 58.200 -0.028 0.000 0.991 123 S CB 0.017 63.246 63.200 0.048 0.000 0.792 123 S HN 0.057 nan 8.310 nan 0.000 0.488 124 D N 0.284 120.481 120.400 -0.338 0.000 2.520 124 D HA 0.216 4.856 4.640 0.001 0.000 0.223 124 D C -0.334 175.822 176.300 -0.239 0.000 1.186 124 D CA -0.172 53.492 54.000 -0.560 0.000 0.821 124 D CB -0.025 40.412 40.800 -0.605 0.000 1.072 124 D HN 0.332 nan 8.370 nan 0.000 0.518 125 K N 0.433 120.766 120.400 -0.112 0.000 3.177 125 K HA -0.164 4.157 4.320 0.001 0.000 0.266 125 K C -0.447 176.175 176.600 0.037 0.000 0.937 125 K CA 0.764 57.032 56.287 -0.032 0.000 0.702 125 K CB -2.055 30.435 32.500 -0.017 0.000 1.365 125 K HN 0.298 nan 8.250 nan 0.000 0.466 126 S N -0.463 115.247 115.700 0.016 0.000 2.648 126 S HA 0.623 5.094 4.470 0.001 0.000 0.305 126 S C -0.313 174.359 174.600 0.120 0.000 1.094 126 S CA -1.310 56.942 58.200 0.086 0.000 0.983 126 S CB 2.346 65.531 63.200 -0.025 0.000 1.101 126 S HN 0.248 nan 8.310 nan 0.000 0.514 127 L N 2.721 124.081 121.223 0.229 0.000 2.264 127 L HA 0.459 4.799 4.340 0.001 0.000 0.287 127 L C -1.200 175.758 176.870 0.147 0.000 1.039 127 L CA -0.746 54.207 54.840 0.188 0.000 0.829 127 L CB 0.400 42.626 42.059 0.278 0.000 1.211 127 L HN 0.756 nan 8.230 nan 0.000 0.427 128 L N 5.579 126.819 121.223 0.028 0.000 2.380 128 L HA 0.368 4.709 4.340 0.001 0.000 0.273 128 L C -0.202 176.598 176.870 -0.117 0.000 1.138 128 L CA -0.480 54.275 54.840 -0.141 0.000 0.832 128 L CB 1.382 43.311 42.059 -0.218 0.000 1.124 128 L HN 0.283 nan 8.230 nan 0.000 0.454 129 V N 3.533 123.308 119.914 -0.232 0.000 2.448 129 V HA 0.450 4.571 4.120 0.001 0.000 0.295 129 V C -0.412 175.466 176.094 -0.360 0.000 1.025 129 V CA -0.438 61.784 62.300 -0.131 0.000 0.859 129 V CB 1.564 33.408 31.823 0.035 0.000 0.988 129 V HN 0.375 nan 8.190 nan 0.000 0.431 130 F N 1.457 121.309 119.950 -0.164 0.000 2.492 130 F HA 0.548 5.075 4.527 0.001 0.000 0.327 130 F C 0.364 176.100 175.800 -0.107 0.000 1.079 130 F CA -0.723 57.166 58.000 -0.185 0.000 0.967 130 F CB 1.490 40.323 39.000 -0.278 0.000 1.169 130 F HN 0.375 nan 8.300 nan 0.000 0.472 131 D N 1.232 121.697 120.400 0.109 0.000 2.256 131 D HA 0.395 5.035 4.640 0.001 0.000 0.250 131 D C -0.842 175.514 176.300 0.095 0.000 1.093 131 D CA 0.055 54.102 54.000 0.078 0.000 0.882 131 D CB 1.896 42.727 40.800 0.052 0.000 1.185 131 D HN 0.087 nan 8.370 nan 0.000 0.437 132 V N 3.371 123.332 119.914 0.078 0.000 2.313 132 V HA 0.109 4.229 4.120 0.001 0.000 0.278 132 V C -0.228 175.919 176.094 0.087 0.000 1.017 132 V CA -0.737 61.621 62.300 0.097 0.000 0.823 132 V CB 1.422 33.313 31.823 0.113 0.000 1.010 132 V HN 0.398 nan 8.190 nan 0.000 0.443 133 D N 4.624 125.071 120.400 0.079 0.000 2.411 133 D HA 0.152 4.792 4.640 0.001 0.000 0.225 133 D C 1.066 177.396 176.300 0.049 0.000 1.156 133 D CA -0.244 53.789 54.000 0.055 0.000 0.874 133 D CB 1.144 41.970 40.800 0.043 0.000 1.034 133 D HN 0.262 nan 8.370 nan 0.000 0.502 134 K N 1.770 122.199 120.400 0.048 0.000 2.442 134 K HA -0.075 4.245 4.320 0.001 0.000 0.198 134 K C 1.340 177.949 176.600 0.014 0.000 1.042 134 K CA 0.947 57.256 56.287 0.036 0.000 0.958 134 K CB 0.207 32.731 32.500 0.041 0.000 0.766 134 K HN 0.571 nan 8.250 nan 0.000 0.474 135 T N -3.952 110.610 114.554 0.014 0.000 3.026 135 T HA 0.076 4.427 4.350 0.001 0.000 0.245 135 T C 1.135 175.835 174.700 0.000 0.000 1.004 135 T CA -0.072 62.031 62.100 0.005 0.000 1.069 135 T CB -0.008 68.865 68.868 0.008 0.000 1.005 135 T HN 0.007 nan 8.240 nan 0.000 0.472 136 S N 0.843 116.547 115.700 0.005 0.000 2.569 136 S HA 0.134 4.604 4.470 0.001 0.000 0.274 136 S C 1.281 175.872 174.600 -0.016 0.000 1.353 136 S CA -0.265 57.936 58.200 0.002 0.000 1.023 136 S CB 0.638 63.846 63.200 0.013 0.000 0.876 136 S HN 0.474 nan 8.310 nan 0.000 0.540 137 K N 1.494 121.886 120.400 -0.014 0.000 2.025 137 K HA -0.038 4.282 4.320 0.001 0.000 0.207 137 K C 0.470 177.026 176.600 -0.073 0.000 1.049 137 K CA 0.904 57.173 56.287 -0.029 0.000 0.933 137 K CB -0.153 32.347 32.500 -0.000 0.000 0.714 137 K HN 0.504 nan 8.250 nan 0.000 0.438 138 N N 0.518 119.193 118.700 -0.042 0.000 2.439 138 N HA 0.047 4.788 4.740 0.001 0.000 0.249 138 N C 0.421 175.920 175.510 -0.019 0.000 1.003 138 N CA -0.049 52.970 53.050 -0.053 0.000 0.942 138 N CB 1.502 39.993 38.487 0.007 0.000 1.115 138 N HN -0.231 nan 8.380 nan 0.000 0.505 139 V N 3.453 123.342 119.914 -0.042 0.000 2.591 139 V HA 0.048 4.168 4.120 0.001 0.000 0.249 139 V C 1.010 177.151 176.094 0.078 0.000 1.053 139 V CA 0.904 63.216 62.300 0.020 0.000 1.068 139 V CB -0.249 31.583 31.823 0.015 0.000 0.689 139 V HN 0.572 nan 8.190 nan 0.000 0.462 140 L N 1.234 122.503 121.223 0.076 0.000 2.282 140 L HA 0.449 4.789 4.340 0.001 0.000 0.288 140 L C -0.650 176.337 176.870 0.196 0.000 1.033 140 L CA -0.422 54.472 54.840 0.091 0.000 0.807 140 L CB 1.407 43.402 42.059 -0.107 0.000 1.209 140 L HN 0.123 nan 8.230 nan 0.000 0.423 141 K N 4.076 124.610 120.400 0.224 0.000 2.507 141 K HA 0.347 4.668 4.320 0.001 0.000 0.253 141 K C -0.754 175.911 176.600 0.108 0.000 0.969 141 K CA -0.573 55.826 56.287 0.187 0.000 0.908 141 K CB 1.669 34.231 32.500 0.103 0.000 1.127 141 K HN 0.250 nan 8.250 nan 0.000 0.437 142 L N 3.271 124.488 121.223 -0.010 0.000 2.615 142 L HA 0.033 4.374 4.340 0.001 0.000 0.271 142 L C 0.272 176.981 176.870 -0.267 0.000 1.183 142 L CA 1.176 55.687 54.840 -0.548 0.000 0.933 142 L CB 0.059 41.845 42.059 -0.455 0.000 1.199 142 L HN 0.653 nan 8.230 nan 0.000 0.487 143 R N 3.380 123.699 120.500 -0.301 0.000 2.394 143 R HA 0.293 4.633 4.340 0.001 0.000 0.220 143 R C -0.224 175.958 176.300 -0.197 0.000 0.887 143 R CA -0.072 55.927 56.100 -0.168 0.000 1.034 143 R CB 0.700 30.944 30.300 -0.094 0.000 1.179 143 R HN 0.543 nan 8.270 nan 0.000 0.561 144 K N 0.579 120.814 120.400 -0.275 0.000 2.532 144 K HA 0.447 4.767 4.320 0.001 0.000 0.265 144 K C -0.885 175.504 176.600 -0.353 0.000 0.948 144 K CA -0.800 55.286 56.287 -0.334 0.000 0.842 144 K CB 2.845 35.130 32.500 -0.358 0.000 1.392 144 K HN -0.181 nan 8.250 nan 0.000 0.436 145 R N 2.147 122.396 120.500 -0.417 0.000 2.521 145 R HA 0.272 4.613 4.340 0.001 0.000 0.295 145 R C -1.301 174.784 176.300 -0.359 0.000 1.183 145 R CA -0.515 55.416 56.100 -0.283 0.000 0.957 145 R CB 0.689 30.891 30.300 -0.163 0.000 1.171 145 R HN 0.444 nan 8.270 nan 0.000 0.494 146 F N 2.387 122.274 119.950 -0.105 0.000 2.413 146 F HA 0.239 4.766 4.527 0.001 0.000 0.359 146 F C 0.740 176.363 175.800 -0.295 0.000 1.122 146 F CA -0.339 57.544 58.000 -0.196 0.000 1.160 146 F CB 0.684 39.591 39.000 -0.156 0.000 1.146 146 F HN 0.275 nan 8.300 nan 0.000 0.514 147 C N 4.083 123.228 119.300 -0.259 0.000 2.398 147 C HA 0.643 5.104 4.460 0.001 0.000 0.364 147 C C 0.009 174.572 174.990 -0.712 0.000 1.219 147 C CA -0.785 58.066 59.018 -0.278 0.000 2.312 147 C CB 0.178 27.822 27.740 -0.160 0.000 2.428 147 C HN 0.667 nan 8.230 nan 0.000 0.564 148 F N -0.061 119.656 119.950 -0.388 0.000 2.640 148 F HA 0.380 4.908 4.527 0.001 0.000 0.324 148 F C 1.356 177.006 175.800 -0.250 0.000 1.077 148 F CA -0.600 57.087 58.000 -0.522 0.000 0.965 148 F CB 1.463 40.121 39.000 -0.570 0.000 1.351 148 F HN 0.615 nan 8.300 nan 0.000 0.487 149 S N -0.664 115.043 115.700 0.013 0.000 2.377 149 S HA 0.132 4.603 4.470 0.001 0.000 0.223 149 S C 0.357 174.927 174.600 -0.050 0.000 1.030 149 S CA 0.486 58.683 58.200 -0.004 0.000 0.970 149 S CB -0.141 63.070 63.200 0.018 0.000 0.830 149 S HN 0.329 nan 8.310 nan 0.000 0.473 150 K N 2.068 122.442 120.400 -0.044 0.000 2.208 150 K HA 0.390 4.710 4.320 0.001 0.000 0.247 150 K C -0.307 176.281 176.600 -0.020 0.000 0.953 150 K CA -0.708 55.542 56.287 -0.062 0.000 0.837 150 K CB 1.508 33.966 32.500 -0.070 0.000 1.131 150 K HN 0.477 nan 8.250 nan 0.000 0.431 151 R N 0.684 121.188 120.500 0.006 0.000 2.389 151 R HA 0.281 4.621 4.340 0.001 0.000 0.295 151 R C -2.374 173.877 176.300 -0.080 0.000 1.075 151 R CA -1.393 54.690 56.100 -0.028 0.000 1.005 151 R CB -0.298 30.007 30.300 0.010 0.000 0.987 151 R HN 0.135 nan 8.270 nan 0.000 0.452 152 P HA -0.057 nan 4.420 nan 0.000 0.266 152 P C -0.712 176.512 177.300 -0.127 0.000 1.193 152 P CA -0.001 62.960 63.100 -0.233 0.000 0.770 152 P CB 0.580 32.101 31.700 -0.298 0.000 0.836 153 N N 0.528 119.155 118.700 -0.122 0.000 2.474 153 N HA 0.192 4.933 4.740 0.001 0.000 0.224 153 N C -0.390 175.055 175.510 -0.108 0.000 1.092 153 N CA 0.049 53.041 53.050 -0.096 0.000 0.844 153 N CB 0.580 39.019 38.487 -0.080 0.000 1.381 153 N HN 0.420 nan 8.380 nan 0.000 0.458 154 A N 1.122 123.862 122.820 -0.133 0.000 2.539 154 A HA 0.701 5.022 4.320 0.001 0.000 0.296 154 A C -1.093 176.391 177.584 -0.167 0.000 1.073 154 A CA -0.710 51.239 52.037 -0.148 0.000 0.700 154 A CB 1.240 20.138 19.000 -0.171 0.000 1.296 154 A HN 0.256 nan 8.150 nan 0.000 0.405 155 I N -2.101 118.368 120.570 -0.169 0.000 3.095 155 I HA 0.906 5.076 4.170 0.001 0.000 0.310 155 I C -0.717 175.293 176.117 -0.178 0.000 1.196 155 I CA -0.711 60.490 61.300 -0.164 0.000 0.985 155 I CB 2.153 40.076 38.000 -0.129 0.000 1.250 155 I HN 0.617 nan 8.210 nan 0.000 0.446 156 S N 2.835 118.437 115.700 -0.163 0.000 2.533 156 S HA 0.710 5.181 4.470 0.001 0.000 0.271 156 S C -1.082 173.443 174.600 -0.124 0.000 1.143 156 S CA -0.510 57.599 58.200 -0.152 0.000 0.891 156 S CB 1.510 64.593 63.200 -0.195 0.000 1.105 156 S HN 0.540 nan 8.310 nan 0.000 0.468 157 I N 3.488 124.003 120.570 -0.092 0.000 2.440 157 I HA 0.594 4.764 4.170 0.001 0.000 0.294 157 I C 0.861 176.919 176.117 -0.098 0.000 0.995 157 I CA -0.292 60.959 61.300 -0.081 0.000 1.306 157 I CB 1.272 39.244 38.000 -0.047 0.000 1.407 157 I HN 0.723 nan 8.210 nan 0.000 0.501 158 A N 3.835 126.590 122.820 -0.108 0.000 2.327 158 A HA 0.289 4.610 4.320 0.001 0.000 0.255 158 A C 1.130 178.681 177.584 -0.054 0.000 1.099 158 A CA -0.230 51.728 52.037 -0.131 0.000 0.801 158 A CB 0.188 19.113 19.000 -0.124 0.000 1.062 158 A HN 0.780 nan 8.150 nan 0.000 0.496 159 E N 0.549 120.729 120.200 -0.033 0.000 2.118 159 E HA -0.198 4.152 4.350 0.001 0.000 0.195 159 E C 1.419 178.030 176.600 0.018 0.000 0.992 159 E CA 1.836 58.240 56.400 0.006 0.000 0.804 159 E CB -0.288 29.430 29.700 0.031 0.000 0.741 159 E HN 0.808 nan 8.360 nan 0.000 0.458 160 D N -0.138 120.280 120.400 0.031 0.000 2.311 160 D HA -0.201 4.440 4.640 0.001 0.000 0.212 160 D C 0.355 176.667 176.300 0.021 0.000 0.972 160 D CA 1.215 55.235 54.000 0.033 0.000 0.887 160 D CB -0.206 40.623 40.800 0.049 0.000 0.915 160 D HN 0.085 nan 8.370 nan 0.000 0.497 161 D N -2.106 118.300 120.400 0.009 0.000 3.076 161 D HA -0.192 4.448 4.640 0.001 0.000 0.218 161 D C 0.639 176.942 176.300 0.005 0.000 1.156 161 D CA 1.633 55.636 54.000 0.005 0.000 0.921 161 D CB -1.550 39.258 40.800 0.012 0.000 1.113 161 D HN 0.391 nan 8.370 nan 0.000 0.418 162 T N -2.356 112.201 114.554 0.006 0.000 2.992 162 T HA 0.189 4.540 4.350 0.001 0.000 0.255 162 T C 0.179 174.872 174.700 -0.011 0.000 0.938 162 T CA 0.883 62.985 62.100 0.004 0.000 0.895 162 T CB 0.393 69.270 68.868 0.016 0.000 1.221 162 T HN 0.093 nan 8.240 nan 0.000 0.512 163 T N 2.176 116.727 114.554 -0.004 0.000 2.767 163 T HA 0.641 4.992 4.350 0.001 0.000 0.284 163 T C -0.706 173.970 174.700 -0.039 0.000 0.973 163 T CA -0.297 61.800 62.100 -0.005 0.000 0.996 163 T CB 1.626 70.527 68.868 0.056 0.000 0.927 163 T HN -0.011 nan 8.240 nan 0.000 0.456 164 V N 5.238 125.120 119.914 -0.053 0.000 2.435 164 V HA 0.391 4.511 4.120 0.001 0.000 0.290 164 V C -0.128 175.934 176.094 -0.053 0.000 1.030 164 V CA -0.970 61.289 62.300 -0.069 0.000 0.881 164 V CB 1.467 33.241 31.823 -0.082 0.000 0.983 164 V HN 0.720 nan 8.190 nan 0.000 0.445 165 I N 6.214 126.729 120.570 -0.092 0.000 2.312 165 I HA 0.359 4.529 4.170 0.001 0.000 0.291 165 I C -0.173 175.883 176.117 -0.102 0.000 1.031 165 I CA -0.308 60.941 61.300 -0.085 0.000 1.293 165 I CB 0.946 38.854 38.000 -0.153 0.000 1.403 165 I HN 0.395 nan 8.210 nan 0.000 0.484 166 I N 5.815 126.339 120.570 -0.076 0.000 2.321 166 I HA 0.465 4.636 4.170 0.001 0.000 0.291 166 I C 0.532 176.582 176.117 -0.112 0.000 0.998 166 I CA -0.174 61.024 61.300 -0.170 0.000 1.227 166 I CB 1.541 39.303 38.000 -0.397 0.000 1.368 166 I HN 0.612 nan 8.210 nan 0.000 0.466 167 A N 5.021 127.757 122.820 -0.141 0.000 2.260 167 A HA 0.651 4.971 4.320 0.001 0.000 0.314 167 A C -0.527 176.999 177.584 -0.097 0.000 1.257 167 A CA -0.603 51.368 52.037 -0.110 0.000 0.871 167 A CB 0.286 19.199 19.000 -0.145 0.000 1.166 167 A HN 0.732 nan 8.150 nan 0.000 0.522 168 D N 1.421 121.808 120.400 -0.021 0.000 2.437 168 D HA 0.163 4.803 4.640 0.001 0.000 0.259 168 D C 0.881 177.217 176.300 0.060 0.000 1.118 168 D CA -0.664 53.344 54.000 0.013 0.000 1.017 168 D CB 0.805 41.659 40.800 0.090 0.000 1.120 168 D HN 0.379 nan 8.370 nan 0.000 0.541 169 K N -0.656 119.813 120.400 0.116 0.000 2.211 169 K HA -0.124 4.196 4.320 0.001 0.000 0.204 169 K C 1.042 177.737 176.600 0.158 0.000 1.047 169 K CA 1.093 57.461 56.287 0.136 0.000 0.935 169 K CB -0.202 32.423 32.500 0.208 0.000 0.728 169 K HN 0.374 nan 8.250 nan 0.000 0.452 170 F N -0.783 119.179 119.950 0.019 0.000 2.765 170 F HA 0.233 4.761 4.527 0.001 0.000 0.302 170 F C 1.461 177.285 175.800 0.041 0.000 1.111 170 F CA 0.638 58.661 58.000 0.039 0.000 1.359 170 F CB 1.183 40.222 39.000 0.065 0.000 1.097 170 F HN 0.275 nan 8.300 nan 0.000 0.577 171 G N -0.513 108.379 108.800 0.154 0.000 2.192 171 G HA2 -0.190 3.770 3.960 0.001 0.000 0.193 171 G HA3 -0.190 3.770 3.960 0.001 0.000 0.193 171 G C -0.170 174.773 174.900 0.071 0.000 0.999 171 G CA -0.338 44.811 45.100 0.081 0.000 0.659 171 G HN 0.215 nan 8.290 nan 0.000 0.503 172 D N 0.143 120.591 120.400 0.080 0.000 2.253 172 D HA 0.576 5.216 4.640 0.001 0.000 0.249 172 D C 0.035 176.252 176.300 -0.138 0.000 1.049 172 D CA -0.083 53.885 54.000 -0.053 0.000 0.929 172 D CB 2.364 43.114 40.800 -0.083 0.000 1.176 172 D HN 0.107 nan 8.370 nan 0.000 0.437 173 V N 2.152 121.898 119.914 -0.279 0.000 2.487 173 V HA 0.313 4.433 4.120 0.001 0.000 0.298 173 V C -0.943 174.965 176.094 -0.311 0.000 1.028 173 V CA -0.712 61.473 62.300 -0.192 0.000 0.860 173 V CB 0.867 32.631 31.823 -0.098 0.000 0.991 173 V HN 0.395 nan 8.190 nan 0.000 0.427 174 Y N 1.605 121.949 120.300 0.074 0.000 2.587 174 Y HA 0.720 5.270 4.550 0.001 0.000 0.337 174 Y C 0.626 176.611 175.900 0.141 0.000 1.065 174 Y CA -0.823 57.389 58.100 0.186 0.000 1.126 174 Y CB 2.137 40.839 38.460 0.402 0.000 1.279 174 Y HN 0.648 nan 8.280 nan 0.000 0.489 175 S N 1.836 117.742 115.700 0.343 0.000 2.568 175 S HA 0.827 5.298 4.470 0.001 0.000 0.302 175 S C -1.327 173.404 174.600 0.219 0.000 1.082 175 S CA -0.630 57.704 58.200 0.223 0.000 1.009 175 S CB 1.546 64.870 63.200 0.207 0.000 1.069 175 S HN 0.479 nan 8.310 nan 0.000 0.500 176 I N 1.929 122.551 120.570 0.088 0.000 2.607 176 I HA 0.371 4.541 4.170 0.001 0.000 0.290 176 I C -1.264 174.774 176.117 -0.132 0.000 1.129 176 I CA -0.348 60.922 61.300 -0.050 0.000 1.042 176 I CB 2.118 40.003 38.000 -0.192 0.000 1.242 176 I HN 0.879 nan 8.210 nan 0.000 0.421 177 D N 5.991 126.310 120.400 -0.136 0.000 2.347 177 D HA 0.268 4.908 4.640 0.001 0.000 0.235 177 D C 1.400 177.591 176.300 -0.181 0.000 1.149 177 D CA -0.391 53.551 54.000 -0.097 0.000 0.850 177 D CB 0.835 41.627 40.800 -0.014 0.000 1.061 177 D HN 0.514 nan 8.370 nan 0.000 0.487 178 I N 1.162 121.642 120.570 -0.150 0.000 2.614 178 I HA -0.095 4.075 4.170 0.001 0.000 0.258 178 I C 0.911 177.115 176.117 0.145 0.000 1.189 178 I CA 0.434 61.688 61.300 -0.078 0.000 1.462 178 I CB -0.182 37.809 38.000 -0.014 0.000 1.092 178 I HN 0.125 nan 8.210 nan 0.000 0.442 179 N N 1.975 120.726 118.700 0.086 0.000 2.309 179 N HA -0.078 4.663 4.740 0.001 0.000 0.182 179 N C 1.238 176.832 175.510 0.140 0.000 1.018 179 N CA 1.110 54.220 53.050 0.101 0.000 0.876 179 N CB -0.288 38.234 38.487 0.059 0.000 0.972 179 N HN 0.653 nan 8.380 nan 0.000 0.434 180 S N 0.314 116.116 115.700 0.170 0.000 2.600 180 S HA 0.272 4.742 4.470 0.001 0.000 0.265 180 S C 0.383 175.140 174.600 0.262 0.000 1.325 180 S CA -0.656 57.654 58.200 0.183 0.000 1.002 180 S CB 0.670 63.963 63.200 0.155 0.000 0.921 180 S HN 0.089 nan 8.310 nan 0.000 0.554 181 I N 2.108 122.768 120.570 0.150 0.000 2.371 181 I HA 0.275 4.446 4.170 0.001 0.000 0.290 181 I C -2.136 174.016 176.117 0.058 0.000 1.028 181 I CA -2.273 59.061 61.300 0.056 0.000 1.345 181 I CB 0.552 38.560 38.000 0.014 0.000 1.407 181 I HN 0.474 nan 8.210 nan 0.000 0.501 182 P HA -0.029 nan 4.420 nan 0.000 0.257 182 P C -0.772 176.491 177.300 -0.061 0.000 1.189 182 P CA 0.221 63.166 63.100 -0.258 0.000 0.780 182 P CB 0.120 31.465 31.700 -0.592 0.000 0.772 183 E N 2.918 123.149 120.200 0.052 0.000 2.299 183 E HA -0.026 4.325 4.350 0.001 0.000 0.272 183 E C 0.998 177.605 176.600 0.012 0.000 1.043 183 E CA -0.114 56.306 56.400 0.034 0.000 0.895 183 E CB 0.553 30.285 29.700 0.054 0.000 1.011 183 E HN 0.479 nan 8.360 nan 0.000 0.432 184 E N 2.612 122.807 120.200 -0.009 0.000 2.086 184 E HA -0.183 4.168 4.350 0.001 0.000 0.200 184 E C 0.020 176.624 176.600 0.006 0.000 1.012 184 E CA 1.262 57.656 56.400 -0.010 0.000 0.812 184 E CB 0.138 29.833 29.700 -0.010 0.000 0.743 184 E HN 0.301 nan 8.360 nan 0.000 0.453 185 K N 0.890 121.298 120.400 0.013 0.000 2.235 185 K HA 0.198 4.519 4.320 0.001 0.000 0.266 185 K C -0.624 176.005 176.600 0.049 0.000 0.980 185 K CA -0.649 55.654 56.287 0.026 0.000 0.849 185 K CB 1.195 33.700 32.500 0.007 0.000 1.098 185 K HN -0.090 nan 8.250 nan 0.000 0.445 186 F N 2.858 122.737 119.950 -0.118 0.000 2.467 186 F HA 0.067 4.594 4.527 0.001 0.000 0.362 186 F C 0.165 175.903 175.800 -0.105 0.000 1.090 186 F CA 0.028 57.929 58.000 -0.166 0.000 1.202 186 F CB 0.497 39.323 39.000 -0.289 0.000 1.113 186 F HN 0.446 nan 8.300 nan 0.000 0.541 187 T N 3.562 117.685 114.554 -0.718 0.000 3.305 187 T HA 0.461 4.812 4.350 0.001 0.000 0.348 187 T C -1.088 173.259 174.700 -0.589 0.000 1.394 187 T CA -0.785 61.016 62.100 -0.498 0.000 1.549 187 T CB 0.080 68.806 68.868 -0.237 0.000 0.962 187 T HN 0.680 nan 8.240 nan 0.000 0.609 188 Q N -0.155 119.215 119.800 -0.718 0.000 2.438 188 Q HA 0.527 4.867 4.340 0.001 0.000 0.272 188 Q C -1.441 174.552 176.000 -0.013 0.000 0.994 188 Q CA -1.130 54.480 55.803 -0.322 0.000 0.887 188 Q CB 1.533 30.104 28.738 -0.279 0.000 1.432 188 Q HN 0.134 nan 8.270 nan 0.000 0.392 189 E N 1.898 122.138 120.200 0.068 0.000 2.373 189 E HA 0.289 4.640 4.350 0.001 0.000 0.263 189 E C -2.155 174.527 176.600 0.136 0.000 1.073 189 E CA -1.632 54.849 56.400 0.136 0.000 0.894 189 E CB 0.265 29.997 29.700 0.053 0.000 1.008 189 E HN 0.446 nan 8.360 nan 0.000 0.420 190 P HA 0.017 nan 4.420 nan 0.000 0.267 190 P C 0.632 177.854 177.300 -0.129 0.000 1.201 190 P CA 0.274 63.138 63.100 -0.393 0.000 0.775 190 P CB 0.610 32.083 31.700 -0.378 0.000 0.854 191 I N 1.075 121.576 120.570 -0.115 0.000 2.703 191 I HA 0.005 4.176 4.170 0.001 0.000 0.259 191 I C 0.630 176.745 176.117 -0.003 0.000 1.151 191 I CA 0.741 62.039 61.300 -0.004 0.000 1.470 191 I CB 0.199 38.234 38.000 0.059 0.000 1.112 191 I HN 0.212 nan 8.210 nan 0.000 0.437 192 L N -2.170 119.029 121.223 -0.041 0.000 2.828 192 L HA 0.787 5.128 4.340 0.001 0.000 0.264 192 L C -0.969 175.893 176.870 -0.013 0.000 1.106 192 L CA -0.367 54.465 54.840 -0.013 0.000 0.955 192 L CB 0.973 43.031 42.059 -0.001 0.000 1.558 192 L HN -0.043 nan 8.230 nan 0.000 0.386 193 G N -1.061 107.774 108.800 0.058 0.000 2.632 193 G HA2 0.571 4.532 3.960 0.001 0.000 0.292 193 G HA3 0.571 4.532 3.960 0.001 0.000 0.292 193 G C -1.954 173.090 174.900 0.239 0.000 1.465 193 G CA -0.572 44.603 45.100 0.126 0.000 0.824 193 G HN 0.969 nan 8.290 nan 0.000 0.509 194 H N -0.558 118.532 119.070 0.034 0.000 2.737 194 H HA 0.457 5.013 4.556 0.001 0.000 0.358 194 H C 0.092 175.464 175.328 0.073 0.000 1.187 194 H CA -0.881 55.210 56.048 0.072 0.000 1.221 194 H CB 2.882 32.696 29.762 0.087 0.000 1.799 194 H HN 0.191 nan 8.280 nan 0.000 0.568 195 V N 0.661 120.696 119.914 0.202 0.000 3.647 195 V HA -0.049 4.072 4.120 0.001 0.000 0.279 195 V C 1.003 177.165 176.094 0.113 0.000 1.314 195 V CA 0.438 62.819 62.300 0.134 0.000 1.125 195 V CB 0.199 32.079 31.823 0.095 0.000 0.907 195 V HN 0.665 nan 8.190 nan 0.000 0.434 196 S N -0.180 115.616 115.700 0.159 0.000 2.745 196 S HA 0.546 5.017 4.470 0.001 0.000 0.292 196 S C -0.156 174.467 174.600 0.038 0.000 1.133 196 S CA -0.559 57.700 58.200 0.098 0.000 0.998 196 S CB 1.428 64.718 63.200 0.151 0.000 1.087 196 S HN 0.235 nan 8.310 nan 0.000 0.551 197 M N 2.235 121.820 119.600 -0.025 0.000 2.219 197 M HA 0.298 4.778 4.480 0.001 0.000 0.353 197 M C -1.402 174.856 176.300 -0.070 0.000 1.304 197 M CA -0.673 54.587 55.300 -0.067 0.000 1.115 197 M CB 0.098 32.636 32.600 -0.104 0.000 1.664 197 M HN 0.612 nan 8.290 nan 0.000 0.459 198 L N 4.998 126.160 121.223 -0.102 0.000 2.349 198 L HA 0.232 4.573 4.340 0.001 0.000 0.275 198 L C 0.976 177.773 176.870 -0.122 0.000 1.115 198 L CA 0.699 55.438 54.840 -0.168 0.000 0.820 198 L CB 1.181 43.120 42.059 -0.200 0.000 1.135 198 L HN 0.849 nan 8.230 nan 0.000 0.445 199 T N 0.771 115.252 114.554 -0.121 0.000 2.978 199 T HA 0.167 4.517 4.350 0.001 0.000 0.248 199 T C -0.419 174.229 174.700 -0.087 0.000 1.018 199 T CA 0.258 62.313 62.100 -0.075 0.000 1.026 199 T CB 0.171 69.022 68.868 -0.027 0.000 1.032 199 T HN 0.578 nan 8.240 nan 0.000 0.485 200 D N 0.007 120.332 120.400 -0.125 0.000 2.706 200 D HA 0.386 5.026 4.640 0.001 0.000 0.227 200 D C -1.636 174.537 176.300 -0.211 0.000 1.233 200 D CA -0.320 53.590 54.000 -0.151 0.000 0.768 200 D CB 1.963 42.727 40.800 -0.061 0.000 1.490 200 D HN 0.023 nan 8.370 nan 0.000 0.458 201 V N 1.223 120.932 119.914 -0.342 0.000 2.735 201 V HA 0.694 4.815 4.120 0.001 0.000 0.310 201 V C -0.726 175.016 176.094 -0.586 0.000 1.061 201 V CA -0.693 61.404 62.300 -0.338 0.000 0.913 201 V CB 2.252 33.916 31.823 -0.264 0.000 1.005 201 V HN 0.595 nan 8.190 nan 0.000 0.428 202 H N 3.360 122.330 119.070 -0.166 0.000 2.877 202 H HA 0.512 5.069 4.556 0.001 0.000 0.347 202 H C -1.000 174.209 175.328 -0.200 0.000 1.042 202 H CA -0.496 55.450 56.048 -0.169 0.000 1.276 202 H CB 2.494 32.152 29.762 -0.172 0.000 1.681 202 H HN 0.552 nan 8.280 nan 0.000 0.521 203 L N 3.703 124.869 121.223 -0.095 0.000 2.417 203 L HA 0.248 4.589 4.340 0.001 0.000 0.268 203 L C -0.120 176.701 176.870 -0.081 0.000 1.158 203 L CA 0.044 54.797 54.840 -0.145 0.000 0.819 203 L CB 0.527 42.458 42.059 -0.212 0.000 1.112 203 L HN 0.420 nan 8.230 nan 0.000 0.458 204 I N 2.266 122.799 120.570 -0.062 0.000 3.149 204 I HA 0.390 4.560 4.170 0.001 0.000 0.310 204 I C -1.145 175.071 176.117 0.165 0.000 1.343 204 I CA -0.747 60.539 61.300 -0.022 0.000 0.955 204 I CB 2.452 40.289 38.000 -0.272 0.000 1.309 204 I HN 0.531 nan 8.210 nan 0.000 0.478 205 K N 2.218 122.801 120.400 0.304 0.000 2.535 205 K HA 0.348 4.668 4.320 0.001 0.000 0.251 205 K C -1.333 175.596 176.600 0.548 0.000 0.942 205 K CA -0.627 55.898 56.287 0.396 0.000 0.798 205 K CB 2.057 34.680 32.500 0.205 0.000 1.267 205 K HN 0.650 nan 8.250 nan 0.000 0.434 206 D N 0.778 121.585 120.400 0.678 0.000 2.451 206 D HA 0.048 4.688 4.640 0.001 0.000 0.259 206 D C 0.905 177.382 176.300 0.295 0.000 1.201 206 D CA -0.263 54.083 54.000 0.576 0.000 1.028 206 D CB 0.762 41.948 40.800 0.644 0.000 1.095 206 D HN 0.405 nan 8.370 nan 0.000 0.539 207 S N -0.553 115.292 115.700 0.242 0.000 2.402 207 S HA -0.221 4.249 4.470 0.001 0.000 0.233 207 S C 0.894 175.533 174.600 0.065 0.000 1.030 207 S CA 1.194 59.459 58.200 0.108 0.000 1.003 207 S CB -0.461 62.803 63.200 0.106 0.000 0.813 207 S HN 0.530 nan 8.310 nan 0.000 0.477 208 D N 1.361 121.796 120.400 0.058 0.000 2.336 208 D HA 0.270 4.911 4.640 0.001 0.000 0.229 208 D C 1.486 177.645 176.300 -0.235 0.000 1.061 208 D CA 0.778 54.713 54.000 -0.107 0.000 0.875 208 D CB -0.305 40.386 40.800 -0.181 0.000 0.904 208 D HN 0.617 nan 8.370 nan 0.000 0.525 209 G N 0.817 109.575 108.800 -0.070 0.000 2.159 209 G HA2 -0.264 3.696 3.960 0.001 0.000 0.256 209 G HA3 -0.264 3.696 3.960 0.001 0.000 0.256 209 G C 0.164 175.060 174.900 -0.007 0.000 0.977 209 G CA -0.271 44.807 45.100 -0.037 0.000 0.652 209 G HN 0.392 nan 8.290 nan 0.000 0.531 210 H N 1.186 120.343 119.070 0.144 0.000 2.803 210 H HA 0.344 4.900 4.556 0.001 0.000 0.330 210 H C 0.924 176.267 175.328 0.024 0.000 1.057 210 H CA 0.431 56.518 56.048 0.064 0.000 1.458 210 H CB 0.549 30.370 29.762 0.099 0.000 1.470 210 H HN 0.551 nan 8.280 nan 0.000 0.560 211 Q N 2.531 122.337 119.800 0.009 0.000 2.230 211 Q HA 0.451 4.791 4.340 0.001 0.000 0.253 211 Q C -0.760 175.021 176.000 -0.365 0.000 0.919 211 Q CA -0.310 55.494 55.803 0.000 0.000 0.908 211 Q CB 1.380 30.214 28.738 0.161 0.000 1.245 211 Q HN 0.390 nan 8.270 nan 0.000 0.437 212 F N 1.249 121.216 119.950 0.028 0.000 2.565 212 F HA 0.504 5.031 4.527 0.001 0.000 0.313 212 F C -0.296 175.395 175.800 -0.183 0.000 1.091 212 F CA -1.057 56.877 58.000 -0.110 0.000 0.915 212 F CB 1.479 40.341 39.000 -0.231 0.000 1.208 212 F HN 0.419 nan 8.300 nan 0.000 0.453 213 I N 4.382 124.949 120.570 -0.006 0.000 2.354 213 I HA 0.560 4.731 4.170 0.001 0.000 0.292 213 I C -1.271 174.760 176.117 -0.143 0.000 0.989 213 I CA -0.492 60.745 61.300 -0.105 0.000 1.188 213 I CB 0.801 38.739 38.000 -0.104 0.000 1.342 213 I HN 0.506 nan 8.210 nan 0.000 0.457 214 I N 7.229 127.688 120.570 -0.184 0.000 2.321 214 I HA 0.326 4.497 4.170 0.001 0.000 0.291 214 I C -0.047 175.982 176.117 -0.146 0.000 0.998 214 I CA -0.330 60.843 61.300 -0.211 0.000 1.227 214 I CB 1.739 39.575 38.000 -0.274 0.000 1.368 214 I HN 0.593 nan 8.210 nan 0.000 0.466 215 T N 1.695 116.169 114.554 -0.134 0.000 2.841 215 T HA 0.680 5.030 4.350 0.001 0.000 0.283 215 T C -0.257 174.384 174.700 -0.099 0.000 1.000 215 T CA -0.816 61.204 62.100 -0.134 0.000 0.977 215 T CB 1.751 70.528 68.868 -0.150 0.000 0.979 215 T HN 0.569 nan 8.240 nan 0.000 0.446 216 S N 1.344 116.965 115.700 -0.131 0.000 2.607 216 S HA 0.890 5.361 4.470 0.001 0.000 0.303 216 S C -1.266 173.276 174.600 -0.097 0.000 1.086 216 S CA -0.832 57.319 58.200 -0.081 0.000 0.995 216 S CB 1.703 64.843 63.200 -0.101 0.000 1.084 216 S HN 1.026 nan 8.310 nan 0.000 0.507 217 D N -0.741 119.657 120.400 -0.004 0.000 2.652 217 D HA 0.348 4.988 4.640 0.001 0.000 0.285 217 D C 0.487 176.819 176.300 0.054 0.000 1.173 217 D CA -1.045 52.963 54.000 0.014 0.000 0.981 217 D CB 0.856 41.722 40.800 0.110 0.000 1.440 217 D HN 0.453 nan 8.370 nan 0.000 0.485 218 R N -0.826 119.704 120.500 0.051 0.000 2.237 218 R HA -0.028 4.312 4.340 0.001 0.000 0.219 218 R C -0.237 176.115 176.300 0.087 0.000 1.080 218 R CA 0.764 56.906 56.100 0.071 0.000 0.995 218 R CB -0.028 30.262 30.300 -0.016 0.000 0.875 218 R HN 0.410 nan 8.270 nan 0.000 0.462 219 D N 0.826 121.255 120.400 0.047 0.000 2.587 219 D HA 0.030 4.671 4.640 0.001 0.000 0.233 219 D C -0.464 175.665 176.300 -0.285 0.000 1.213 219 D CA 0.142 54.110 54.000 -0.053 0.000 0.827 219 D CB 0.578 41.380 40.800 0.003 0.000 1.006 219 D HN 0.181 nan 8.370 nan 0.000 0.490 220 E N -1.299 118.812 120.200 -0.149 0.000 3.801 220 E HA -0.217 4.133 4.350 0.001 0.000 0.319 220 E C -0.332 176.143 176.600 -0.208 0.000 0.784 220 E CA 0.792 57.083 56.400 -0.182 0.000 1.183 220 E CB -2.033 27.579 29.700 -0.146 0.000 1.601 220 E HN 0.582 nan 8.360 nan 0.000 0.441 221 H N -0.226 118.875 119.070 0.052 0.000 2.525 221 H HA 0.569 5.126 4.556 0.001 0.000 0.339 221 H C 0.120 175.456 175.328 0.012 0.000 1.109 221 H CA -0.328 55.779 56.048 0.098 0.000 1.352 221 H CB 0.972 30.908 29.762 0.290 0.000 1.461 221 H HN 0.005 nan 8.280 nan 0.000 0.533 222 I N 2.778 123.386 120.570 0.064 0.000 2.448 222 I HA 0.180 4.350 4.170 0.001 0.000 0.281 222 I C -0.543 175.479 176.117 -0.158 0.000 1.027 222 I CA -0.558 60.667 61.300 -0.124 0.000 1.111 222 I CB 1.235 39.015 38.000 -0.367 0.000 1.236 222 I HN 0.436 nan 8.210 nan 0.000 0.452 223 K N 7.516 127.806 120.400 -0.183 0.000 2.185 223 K HA 0.666 4.986 4.320 0.001 0.000 0.269 223 K C -1.146 175.188 176.600 -0.443 0.000 0.987 223 K CA -0.396 55.560 56.287 -0.551 0.000 0.865 223 K CB 1.273 33.341 32.500 -0.720 0.000 1.090 223 K HN 0.544 nan 8.250 nan 0.000 0.450 224 I N 3.378 123.647 120.570 -0.500 0.000 2.355 224 I HA 0.230 4.400 4.170 0.001 0.000 0.288 224 I C -0.632 175.320 176.117 -0.275 0.000 0.999 224 I CA -0.667 60.429 61.300 -0.340 0.000 1.163 224 I CB 1.889 39.709 38.000 -0.300 0.000 1.316 224 I HN 0.561 nan 8.210 nan 0.000 0.454 225 S N 3.586 119.187 115.700 -0.166 0.000 2.532 225 S HA 0.478 4.949 4.470 0.001 0.000 0.301 225 S C -0.521 174.052 174.600 -0.046 0.000 1.083 225 S CA -0.721 57.410 58.200 -0.114 0.000 1.025 225 S CB 1.188 64.314 63.200 -0.123 0.000 1.056 225 S HN 0.488 nan 8.310 nan 0.000 0.494 226 H N 0.662 119.683 119.070 -0.081 0.000 2.790 226 H HA 0.282 4.839 4.556 0.001 0.000 0.358 226 H C -0.902 174.315 175.328 -0.186 0.000 1.103 226 H CA 0.878 56.765 56.048 -0.268 0.000 1.426 226 H CB 0.246 29.791 29.762 -0.361 0.000 1.424 226 H HN 0.568 nan 8.280 nan 0.000 0.599 227 Y N 3.942 124.112 120.300 -0.218 0.000 2.406 227 Y HA 0.276 4.827 4.550 0.001 0.000 0.340 227 Y C -2.241 173.583 175.900 -0.127 0.000 0.975 227 Y CA -2.649 55.363 58.100 -0.146 0.000 1.056 227 Y CB 2.088 40.478 38.460 -0.115 0.000 1.210 227 Y HN 0.474 nan 8.280 nan 0.000 0.448 228 P HA 0.008 nan 4.420 nan 0.000 0.245 228 P C -0.526 176.506 177.300 -0.447 0.000 1.206 228 P CA 0.657 63.136 63.100 -1.035 0.000 0.781 228 P CB 0.278 31.498 31.700 -0.800 0.000 0.994 229 Q N -0.524 119.063 119.800 -0.355 0.000 3.107 229 Q HA 0.039 4.380 4.340 0.001 0.000 0.268 229 Q C 0.688 176.350 176.000 -0.562 0.000 1.382 229 Q CA 0.123 55.623 55.803 -0.505 0.000 0.927 229 Q CB -1.564 26.774 28.738 -0.667 0.000 1.755 229 Q HN 0.169 nan 8.270 nan 0.000 0.545 230 C N 0.093 119.230 119.300 -0.271 0.000 2.491 230 C HA -0.068 4.393 4.460 0.001 0.000 0.277 230 C C 1.559 176.485 174.990 -0.106 0.000 1.455 230 C CA -0.133 58.806 59.018 -0.132 0.000 1.758 230 C CB -1.437 26.299 27.740 -0.006 0.000 1.745 230 C HN 0.862 nan 8.230 nan 0.000 0.558 231 F N -0.127 119.804 119.950 -0.032 0.000 2.771 231 F HA 0.358 4.885 4.527 0.001 0.000 0.299 231 F C 0.475 176.265 175.800 -0.017 0.000 1.177 231 F CA 0.076 58.059 58.000 -0.027 0.000 1.450 231 F CB -0.797 38.182 39.000 -0.034 0.000 1.114 231 F HN 0.052 nan 8.300 nan 0.000 0.587 232 I N 1.901 122.243 120.570 -0.380 0.000 2.390 232 I HA 0.240 4.411 4.170 0.001 0.000 0.283 232 I C -0.680 175.403 176.117 -0.057 0.000 1.016 232 I CA -0.997 60.184 61.300 -0.199 0.000 1.151 232 I CB 1.594 39.390 38.000 -0.341 0.000 1.293 232 I HN -0.271 nan 8.210 nan 0.000 0.458 233 V N 5.650 125.534 119.914 -0.050 0.000 2.470 233 V HA -0.037 4.084 4.120 0.001 0.000 0.276 233 V C 0.924 176.980 176.094 -0.062 0.000 1.040 233 V CA 0.258 62.476 62.300 -0.136 0.000 1.008 233 V CB 1.245 32.947 31.823 -0.201 0.000 0.990 233 V HN 0.785 nan 8.190 nan 0.000 0.477 234 D N 4.216 124.562 120.400 -0.090 0.000 2.107 234 D HA -0.008 4.632 4.640 0.001 0.000 0.204 234 D C 0.871 177.129 176.300 -0.071 0.000 0.978 234 D CA 1.296 55.284 54.000 -0.020 0.000 0.852 234 D CB 0.300 41.066 40.800 -0.057 0.000 1.008 234 D HN 0.616 nan 8.370 nan 0.000 0.458 235 K N -2.032 118.243 120.400 -0.209 0.000 2.580 235 K HA 0.239 4.560 4.320 0.001 0.000 0.288 235 K C -1.779 174.564 176.600 -0.429 0.000 1.041 235 K CA -0.773 55.416 56.287 -0.164 0.000 0.855 235 K CB 0.169 32.648 32.500 -0.034 0.000 1.543 235 K HN 0.111 nan 8.250 nan 0.000 0.388 236 W N 0.695 121.810 121.300 -0.309 0.000 2.781 236 W HA 0.602 5.263 4.660 0.001 0.000 0.345 236 W C -0.512 175.577 176.519 -0.718 0.000 1.085 236 W CA -0.791 56.206 57.345 -0.579 0.000 1.198 236 W CB 1.066 30.005 29.460 -0.869 0.000 1.423 236 W HN 0.248 nan 8.180 nan 0.000 0.532 237 L N 2.660 123.555 121.223 -0.547 0.000 2.272 237 L HA 0.511 4.851 4.340 0.001 0.000 0.289 237 L C -0.953 175.591 176.870 -0.542 0.000 1.032 237 L CA -0.602 53.829 54.840 -0.682 0.000 0.810 237 L CB 0.312 41.544 42.059 -1.377 0.000 1.205 237 L HN 0.292 nan 8.230 nan 0.000 0.422 238 F N 1.267 121.298 119.950 0.134 0.000 2.443 238 F HA 0.653 5.180 4.527 0.001 0.000 0.335 238 F C 0.980 177.009 175.800 0.382 0.000 1.104 238 F CA -0.078 58.048 58.000 0.210 0.000 1.013 238 F CB 2.092 41.181 39.000 0.148 0.000 1.136 238 F HN 0.616 nan 8.300 nan 0.000 0.470 239 G N 0.881 109.945 108.800 0.439 0.000 3.758 239 G HA2 -0.105 3.855 3.960 0.001 0.000 0.206 239 G HA3 -0.105 3.855 3.960 0.001 0.000 0.206 239 G C -0.661 174.173 174.900 -0.109 0.000 0.946 239 G CA -0.622 44.618 45.100 0.233 0.000 0.885 239 G HN 0.580 nan 8.290 nan 0.000 0.392 240 H N 1.263 120.144 119.070 -0.315 0.000 2.886 240 H HA 0.473 5.029 4.556 0.001 0.000 0.329 240 H C 1.178 176.414 175.328 -0.154 0.000 1.044 240 H CA 0.867 56.695 56.048 -0.367 0.000 1.456 240 H CB 1.549 31.129 29.762 -0.304 0.000 1.464 240 H HN 0.177 nan 8.280 nan 0.000 0.573 241 K N 1.872 122.238 120.400 -0.058 0.000 2.379 241 K HA 0.090 4.410 4.320 0.001 0.000 0.194 241 K C -0.060 176.205 176.600 -0.560 0.000 1.031 241 K CA 0.392 56.506 56.287 -0.289 0.000 1.037 241 K CB 0.480 32.768 32.500 -0.354 0.000 0.824 241 K HN 0.606 nan 8.250 nan 0.000 0.516 242 H N -1.148 117.941 119.070 0.032 0.000 2.949 242 H HA 0.143 4.699 4.556 0.000 0.000 0.356 242 H C -0.413 174.888 175.328 -0.044 0.000 1.212 242 H CA -1.370 54.677 56.048 -0.003 0.000 1.136 242 H CB 0.759 30.463 29.762 -0.097 0.000 1.869 242 H HN -0.090 nan 8.280 nan 0.000 0.556 243 F N 0.038 120.070 119.950 0.137 0.000 2.628 243 F HA 0.261 4.788 4.527 0.000 0.000 0.362 243 F C -0.211 175.597 175.800 0.013 0.000 1.148 243 F CA -0.629 57.390 58.000 0.031 0.000 1.352 243 F CB -0.224 38.787 39.000 0.019 0.000 1.081 243 F HN 0.002 nan 8.300 nan 0.000 0.605 244 V N 3.239 123.131 119.914 -0.037 0.000 2.398 244 V HA 0.240 4.360 4.120 0.001 0.000 0.286 244 V C 0.563 176.671 176.094 0.022 0.000 1.026 244 V CA 0.248 62.426 62.300 -0.204 0.000 0.868 244 V CB 1.149 32.722 31.823 -0.417 0.000 0.982 244 V HN 1.065 nan 8.190 nan 0.000 0.443 245 S N 2.135 117.856 115.700 0.034 0.000 2.514 245 S HA 0.230 4.701 4.470 0.001 0.000 0.223 245 S C 0.655 175.275 174.600 0.034 0.000 1.046 245 S CA 0.261 58.525 58.200 0.107 0.000 0.914 245 S CB 0.521 63.820 63.200 0.165 0.000 0.807 245 S HN 0.667 nan 8.310 nan 0.000 0.497 246 S N -0.205 115.503 115.700 0.014 0.000 2.543 246 S HA 0.726 5.197 4.470 0.001 0.000 0.271 246 S C -1.621 173.005 174.600 0.044 0.000 1.148 246 S CA -0.772 57.447 58.200 0.032 0.000 0.914 246 S CB 1.152 64.361 63.200 0.014 0.000 1.096 246 S HN 0.391 nan 8.310 nan 0.000 0.471 247 I N 3.118 123.734 120.570 0.076 0.000 2.730 247 I HA 0.622 4.793 4.170 0.001 0.000 0.298 247 I C -0.488 175.573 176.117 -0.092 0.000 1.089 247 I CA -0.732 60.577 61.300 0.015 0.000 1.041 247 I CB 2.085 40.077 38.000 -0.013 0.000 1.235 247 I HN 0.885 nan 8.210 nan 0.000 0.423 248 C N 3.491 122.720 119.300 -0.120 0.000 2.698 248 C HA 0.759 5.220 4.460 0.001 0.000 0.309 248 C C -0.423 174.472 174.990 -0.159 0.000 1.186 248 C CA -0.933 57.964 59.018 -0.202 0.000 1.474 248 C CB 0.275 27.986 27.740 -0.049 0.000 2.020 248 C HN 0.844 nan 8.230 nan 0.000 0.474 249 C N 3.180 122.353 119.300 -0.210 0.000 2.319 249 C HA 0.892 5.352 4.460 0.001 0.000 0.335 249 C C 1.189 176.178 174.990 -0.001 0.000 1.274 249 C CA 0.513 59.475 59.018 -0.093 0.000 1.806 249 C CB 0.310 27.959 27.740 -0.153 0.000 2.329 249 C HN 1.286 nan 8.230 nan 0.000 0.524 250 G N 2.026 110.866 108.800 0.066 0.000 2.990 250 G HA2 0.607 4.568 3.960 0.001 0.000 0.208 250 G HA3 0.607 4.568 3.960 0.001 0.000 0.208 250 G C -1.017 173.909 174.900 0.044 0.000 1.334 250 G CA -0.480 44.651 45.100 0.052 0.000 1.024 250 G HN 0.605 nan 8.290 nan 0.000 0.574 251 K N 0.007 120.414 120.400 0.012 0.000 2.144 251 K HA 0.395 4.715 4.320 0.001 0.000 0.270 251 K C -0.241 176.325 176.600 -0.056 0.000 1.005 251 K CA -0.033 56.235 56.287 -0.032 0.000 0.932 251 K CB 0.948 33.426 32.500 -0.036 0.000 1.021 251 K HN 0.525 nan 8.250 nan 0.000 0.462 252 D N 2.250 122.555 120.400 -0.158 0.000 2.735 252 D HA -0.255 4.385 4.640 0.001 0.000 0.235 252 D C -1.059 175.156 176.300 -0.141 0.000 1.175 252 D CA 0.976 54.842 54.000 -0.223 0.000 0.683 252 D CB -1.188 39.569 40.800 -0.071 0.000 1.008 252 D HN 0.728 nan 8.370 nan 0.000 0.416 253 Y N -3.823 116.424 120.300 -0.088 0.000 4.604 253 Y HA -0.346 4.204 4.550 0.001 0.000 0.230 253 Y C 0.869 176.767 175.900 -0.005 0.000 1.066 253 Y CA 0.317 58.231 58.100 -0.309 0.000 1.990 253 Y CB -1.604 36.441 38.460 -0.692 0.000 1.619 253 Y HN 0.403 nan 8.280 nan 0.000 0.649 254 L N 1.090 122.432 121.223 0.197 0.000 2.380 254 L HA 0.625 4.965 4.340 0.001 0.000 0.273 254 L C -0.324 176.736 176.870 0.317 0.000 1.138 254 L CA -0.451 54.524 54.840 0.225 0.000 0.832 254 L CB 0.888 43.021 42.059 0.123 0.000 1.124 254 L HN 0.192 nan 8.230 nan 0.000 0.454 255 L N 4.769 126.213 121.223 0.367 0.000 2.388 255 L HA 0.665 5.005 4.340 0.001 0.000 0.264 255 L C -1.584 175.510 176.870 0.374 0.000 0.998 255 L CA -0.387 54.654 54.840 0.334 0.000 0.817 255 L CB 1.952 44.215 42.059 0.340 0.000 1.338 255 L HN 0.574 nan 8.230 nan 0.000 0.414 256 L N 2.989 124.366 121.223 0.256 0.000 2.385 256 L HA 0.792 5.132 4.340 0.001 0.000 0.273 256 L C -0.680 176.347 176.870 0.262 0.000 0.990 256 L CA 0.025 55.011 54.840 0.243 0.000 0.821 256 L CB 2.081 44.206 42.059 0.111 0.000 1.279 256 L HN 0.730 nan 8.230 nan 0.000 0.412 257 S N 2.141 118.080 115.700 0.398 0.000 2.569 257 S HA 1.041 5.511 4.470 0.001 0.000 0.280 257 S C -0.836 174.014 174.600 0.415 0.000 1.111 257 S CA -0.227 58.203 58.200 0.383 0.000 0.887 257 S CB 2.297 65.809 63.200 0.520 0.000 1.095 257 S HN 0.984 nan 8.310 nan 0.000 0.476 258 A N 0.542 123.528 122.820 0.275 0.000 2.581 258 A HA 1.068 5.389 4.320 0.001 0.000 0.290 258 A C 0.174 177.825 177.584 0.111 0.000 1.119 258 A CA -0.273 51.908 52.037 0.240 0.000 0.670 258 A CB 0.760 19.745 19.000 -0.025 0.000 1.280 258 A HN 2.356 nan 8.150 nan 0.000 0.425 259 G N -1.079 107.742 108.800 0.036 0.000 2.579 259 G HA2 0.481 4.441 3.960 0.001 0.000 0.080 259 G HA3 0.481 4.441 3.960 0.001 0.000 0.080 259 G C 0.936 175.610 174.900 -0.377 0.000 1.040 259 G CA 0.721 45.700 45.100 -0.201 0.000 1.118 259 G HN 1.842 nan 8.290 nan 0.000 0.485 260 G N 0.282 108.438 108.800 -1.074 0.000 2.498 260 G HA2 0.202 4.163 3.960 0.001 0.000 0.219 260 G HA3 0.202 4.163 3.960 0.001 0.000 0.219 260 G C 0.434 175.119 174.900 -0.358 0.000 1.119 260 G CA 1.464 46.048 45.100 -0.860 0.000 0.766 260 G HN 0.571 nan 8.290 nan 0.000 0.552 261 D N -0.804 119.559 120.400 -0.061 0.000 2.363 261 D HA 0.254 4.894 4.640 0.001 0.000 0.240 261 D C 0.710 177.021 176.300 0.019 0.000 1.236 261 D CA -0.003 54.065 54.000 0.112 0.000 0.927 261 D CB 0.742 41.738 40.800 0.327 0.000 1.150 261 D HN -0.126 nan 8.370 nan 0.000 0.458 262 D N -0.806 119.551 120.400 -0.071 0.000 2.340 262 D HA 0.076 4.716 4.640 0.001 0.000 0.220 262 D C -0.520 175.548 176.300 -0.386 0.000 1.039 262 D CA 0.504 54.325 54.000 -0.299 0.000 0.866 262 D CB 0.288 40.954 40.800 -0.224 0.000 0.913 262 D HN 0.198 nan 8.370 nan 0.000 0.523 263 K N -0.534 119.826 120.400 -0.067 0.000 2.482 263 K HA 0.475 4.796 4.320 0.001 0.000 0.257 263 K C -1.109 175.508 176.600 0.028 0.000 0.969 263 K CA -1.029 55.201 56.287 -0.094 0.000 0.842 263 K CB 2.220 34.440 32.500 -0.467 0.000 1.359 263 K HN -0.239 nan 8.250 nan 0.000 0.441 264 I N 1.697 122.269 120.570 0.004 0.000 2.396 264 I HA 0.279 4.449 4.170 0.001 0.000 0.292 264 I C -0.779 175.226 176.117 -0.188 0.000 0.999 264 I CA -0.198 61.075 61.300 -0.045 0.000 1.310 264 I CB 0.297 38.212 38.000 -0.142 0.000 1.404 264 I HN 0.393 nan 8.210 nan 0.000 0.496 265 F N 4.626 124.519 119.950 -0.096 0.000 2.421 265 F HA 0.712 5.239 4.527 0.000 0.000 0.337 265 F C 0.404 176.008 175.800 -0.327 0.000 1.105 265 F CA -0.539 57.283 58.000 -0.297 0.000 1.049 265 F CB 1.440 40.249 39.000 -0.318 0.000 1.139 265 F HN 0.449 nan 8.300 nan 0.000 0.479 266 A N 3.606 126.203 122.820 -0.371 0.000 2.331 266 A HA 0.804 5.125 4.320 0.001 0.000 0.320 266 A C -1.890 175.476 177.584 -0.364 0.000 1.138 266 A CA -0.535 51.365 52.037 -0.228 0.000 0.790 266 A CB 0.502 19.448 19.000 -0.090 0.000 1.206 266 A HN 0.798 nan 8.150 nan 0.000 0.470 267 W N 0.366 121.754 121.300 0.146 0.000 2.962 267 W HA 0.520 5.180 4.660 0.001 0.000 0.341 267 W C -0.608 175.988 176.519 0.128 0.000 1.155 267 W CA -0.525 56.905 57.345 0.142 0.000 1.165 267 W CB 1.258 30.817 29.460 0.163 0.000 1.435 267 W HN 0.611 nan 8.180 nan 0.000 0.546 268 D N 2.169 122.767 120.400 0.329 0.000 2.317 268 D HA 0.081 4.721 4.640 0.001 0.000 0.234 268 D C 0.777 177.175 176.300 0.163 0.000 1.112 268 D CA -0.582 53.524 54.000 0.176 0.000 0.840 268 D CB 0.869 41.703 40.800 0.057 0.000 1.078 268 D HN 0.710 nan 8.370 nan 0.000 0.486 269 W N 4.545 125.895 121.300 0.083 0.000 2.770 269 W HA 0.078 4.739 4.660 0.001 0.000 0.256 269 W C 1.203 177.597 176.519 -0.208 0.000 1.291 269 W CA -0.284 57.024 57.345 -0.061 0.000 1.396 269 W CB -0.133 29.269 29.460 -0.097 0.000 1.114 269 W HN 0.340 nan 8.180 nan 0.000 0.637 270 K N 1.139 121.046 120.400 -0.821 0.000 2.007 270 K HA -0.102 4.218 4.320 0.001 0.000 0.206 270 K C 2.221 178.571 176.600 -0.418 0.000 1.047 270 K CA 2.285 58.028 56.287 -0.906 0.000 0.937 270 K CB -0.357 31.238 32.500 -1.508 0.000 0.718 270 K HN -0.147 nan 8.250 nan 0.000 0.438 271 T N -0.743 113.631 114.554 -0.300 0.000 2.821 271 T HA -0.042 4.308 4.350 0.001 0.000 0.267 271 T C 1.152 175.837 174.700 -0.024 0.000 1.046 271 T CA 1.422 63.446 62.100 -0.126 0.000 1.139 271 T CB -0.309 68.520 68.868 -0.065 0.000 0.871 271 T HN 0.646 nan 8.240 nan 0.000 0.454 272 G N 1.397 110.213 108.800 0.026 0.000 2.179 272 G HA2 -0.280 3.681 3.960 0.001 0.000 0.260 272 G HA3 -0.280 3.681 3.960 0.001 0.000 0.260 272 G C 0.191 175.232 174.900 0.235 0.000 0.977 272 G CA 0.503 45.666 45.100 0.107 0.000 0.641 272 G HN 0.620 nan 8.290 nan 0.000 0.533 273 K N 0.603 121.128 120.400 0.209 0.000 2.249 273 K HA 0.340 4.660 4.320 0.001 0.000 0.280 273 K C 0.117 176.907 176.600 0.318 0.000 1.033 273 K CA -0.570 55.855 56.287 0.230 0.000 0.946 273 K CB 0.261 32.834 32.500 0.122 0.000 1.005 273 K HN 0.095 nan 8.250 nan 0.000 0.469 274 N N 5.118 123.978 118.700 0.266 0.000 2.402 274 N HA 0.022 4.763 4.740 0.001 0.000 0.259 274 N C 0.815 176.284 175.510 -0.069 0.000 1.167 274 N CA 0.109 53.144 53.050 -0.025 0.000 0.949 274 N CB 0.163 38.540 38.487 -0.183 0.000 1.212 274 N HN 0.638 nan 8.380 nan 0.000 0.493 275 L N 1.485 122.669 121.223 -0.065 0.000 2.083 275 L HA -0.075 4.266 4.340 0.001 0.000 0.209 275 L C 0.929 177.747 176.870 -0.085 0.000 1.083 275 L CA 0.820 55.635 54.840 -0.042 0.000 0.752 275 L CB -0.614 41.438 42.059 -0.011 0.000 0.899 275 L HN 0.709 nan 8.230 nan 0.000 0.433 276 S N -1.860 113.744 115.700 -0.161 0.000 2.688 276 S HA 0.386 4.856 4.470 0.001 0.000 0.266 276 S C -0.663 173.776 174.600 -0.269 0.000 1.061 276 S CA -0.419 57.683 58.200 -0.164 0.000 0.844 276 S CB 1.368 64.514 63.200 -0.091 0.000 1.103 276 S HN 0.114 nan 8.310 nan 0.000 0.471 277 T N -0.641 113.747 114.554 -0.277 0.000 2.909 277 T HA 0.734 5.084 4.350 0.001 0.000 0.299 277 T C -1.345 173.239 174.700 -0.194 0.000 1.073 277 T CA -0.634 61.219 62.100 -0.411 0.000 0.999 277 T CB 1.423 69.867 68.868 -0.706 0.000 1.098 277 T HN 1.120 nan 8.240 nan 0.000 0.477 278 F N 2.390 122.175 119.950 -0.275 0.000 2.427 278 F HA 0.466 4.994 4.527 0.002 0.000 0.348 278 F C -0.379 175.371 175.800 -0.084 0.000 1.125 278 F CA -0.809 57.114 58.000 -0.127 0.000 0.989 278 F CB 1.171 40.141 39.000 -0.049 0.000 1.165 278 F HN 0.669 nan 8.300 nan 0.000 0.442 279 D N 5.413 125.441 120.400 -0.620 0.000 2.295 279 D HA 0.057 4.697 4.640 0.001 0.000 0.248 279 D C -0.124 175.915 176.300 -0.436 0.000 1.154 279 D CA 0.001 53.738 54.000 -0.439 0.000 0.857 279 D CB 0.788 41.364 40.800 -0.374 0.000 1.117 279 D HN 0.656 nan 8.370 nan 0.000 0.468 280 Y N 2.409 122.675 120.300 -0.056 0.000 2.584 280 Y HA 0.298 4.849 4.550 0.002 0.000 0.254 280 Y C 1.313 177.276 175.900 0.105 0.000 1.177 280 Y CA -0.672 57.520 58.100 0.154 0.000 1.216 280 Y CB -0.425 38.322 38.460 0.479 0.000 1.172 280 Y HN 0.230 nan 8.280 nan 0.000 0.529 281 N N 1.772 120.319 118.700 -0.256 0.000 2.120 281 N HA -0.190 4.550 4.740 0.001 0.000 0.188 281 N C 1.598 177.075 175.510 -0.055 0.000 1.024 281 N CA 1.871 54.831 53.050 -0.149 0.000 0.852 281 N CB -0.135 38.295 38.487 -0.093 0.000 1.003 281 N HN 0.531 nan 8.380 nan 0.000 0.424 282 S N -0.394 115.282 115.700 -0.039 0.000 2.720 282 S HA 0.119 4.589 4.470 0.001 0.000 0.222 282 S C 1.734 176.360 174.600 0.043 0.000 0.958 282 S CA -0.044 58.149 58.200 -0.011 0.000 0.943 282 S CB -0.142 63.042 63.200 -0.027 0.000 0.779 282 S HN 0.288 nan 8.310 nan 0.000 0.526 283 L N -0.359 120.922 121.223 0.096 0.000 2.519 283 L HA 0.316 4.657 4.340 0.001 0.000 0.194 283 L C 1.798 178.780 176.870 0.186 0.000 1.072 283 L CA 0.159 55.094 54.840 0.158 0.000 0.845 283 L CB -0.340 41.847 42.059 0.213 0.000 1.138 283 L HN 0.310 nan 8.230 nan 0.000 0.487 284 I N -1.758 118.887 120.570 0.124 0.000 3.428 284 I HA -0.024 4.146 4.170 0.001 0.000 0.286 284 I C 2.145 178.248 176.117 -0.023 0.000 1.287 284 I CA 0.862 62.205 61.300 0.071 0.000 1.396 284 I CB -0.876 37.067 38.000 -0.096 0.000 1.062 284 I HN 0.120 nan 8.210 nan 0.000 0.471 285 K N 1.777 122.128 120.400 -0.083 0.000 2.034 285 K HA -0.164 4.157 4.320 0.001 0.000 0.214 285 K C -0.402 176.147 176.600 -0.084 0.000 1.051 285 K CA 2.193 58.408 56.287 -0.120 0.000 0.931 285 K CB -1.160 31.297 32.500 -0.071 0.000 0.715 285 K HN 0.301 nan 8.250 nan 0.000 0.446 286 P HA -0.138 nan 4.420 nan 0.000 0.221 286 P C 0.398 177.543 177.300 -0.258 0.000 1.145 286 P CA 1.291 64.275 63.100 -0.193 0.000 0.795 286 P CB -0.045 31.471 31.700 -0.308 0.000 0.775 287 Y N -1.330 118.923 120.300 -0.078 0.000 2.523 287 Y HA 0.111 4.661 4.550 0.001 0.000 0.279 287 Y C 1.321 177.190 175.900 -0.051 0.000 1.139 287 Y CA -0.262 57.809 58.100 -0.047 0.000 1.296 287 Y CB -0.531 37.907 38.460 -0.036 0.000 1.045 287 Y HN -0.156 nan 8.280 nan 0.000 0.538 288 L N 2.030 123.229 121.223 -0.040 0.000 2.456 288 L HA 0.071 4.411 4.340 0.001 0.000 0.272 288 L C -0.020 176.921 176.870 0.118 0.000 1.189 288 L CA -0.157 54.593 54.840 -0.150 0.000 0.846 288 L CB 0.269 42.142 42.059 -0.310 0.000 1.111 288 L HN 0.316 nan 8.230 nan 0.000 0.475 289 N N -0.281 118.663 118.700 0.407 0.000 3.283 289 N HA 0.220 4.960 4.740 0.001 0.000 0.338 289 N C -0.327 175.306 175.510 0.205 0.000 1.517 289 N CA -0.757 52.432 53.050 0.232 0.000 0.733 289 N CB 0.278 38.864 38.487 0.164 0.000 1.797 289 N HN 0.491 nan 8.380 nan 0.000 0.637 290 D N -1.802 118.651 120.400 0.089 0.000 2.319 290 D HA -0.047 4.594 4.640 0.001 0.000 0.230 290 D C 0.590 176.888 176.300 -0.003 0.000 1.094 290 D CA 0.343 54.374 54.000 0.053 0.000 0.856 290 D CB -0.063 40.755 40.800 0.030 0.000 0.915 290 D HN 0.685 nan 8.370 nan 0.000 0.517 291 Q N -0.319 119.436 119.800 -0.074 0.000 2.392 291 Q HA -0.011 4.329 4.340 0.001 0.000 0.203 291 Q C 0.764 176.604 176.000 -0.266 0.000 0.917 291 Q CA 0.266 55.941 55.803 -0.214 0.000 0.939 291 Q CB 0.210 28.733 28.738 -0.358 0.000 1.063 291 Q HN 0.414 nan 8.270 nan 0.000 0.516 292 H N -0.500 118.605 119.070 0.057 0.000 2.529 292 H HA 0.158 4.714 4.556 0.000 0.000 0.277 292 H C -0.171 175.212 175.328 0.092 0.000 1.004 292 H CA 0.021 56.134 56.048 0.109 0.000 1.167 292 H CB 0.373 30.233 29.762 0.162 0.000 1.445 292 H HN 0.171 nan 8.280 nan 0.000 0.554 293 L N 1.891 123.188 121.223 0.123 0.000 2.369 293 L HA 0.327 4.667 4.340 0.001 0.000 0.279 293 L C 0.486 177.393 176.870 0.062 0.000 1.108 293 L CA -0.227 54.665 54.840 0.086 0.000 0.852 293 L CB 0.538 42.629 42.059 0.054 0.000 1.169 293 L HN 0.162 nan 8.230 nan 0.000 0.452 306 I N 4.571 125.199 120.570 0.097 0.000 2.792 306 I HA 0.024 4.195 4.170 0.001 0.000 0.284 306 I C 0.068 176.263 176.117 0.131 0.000 1.166 306 I CA 0.925 62.319 61.300 0.158 0.000 1.375 306 I CB -0.151 37.960 38.000 0.184 0.000 1.421 306 I HN 0.481 nan 8.210 nan 0.000 0.544 307 E N 7.585 127.899 120.200 0.190 0.000 2.255 307 E HA 0.450 4.800 4.350 0.001 0.000 0.256 307 E C -1.198 175.576 176.600 0.290 0.000 0.887 307 E CA -0.555 55.905 56.400 0.100 0.000 0.782 307 E CB 1.675 31.424 29.700 0.083 0.000 1.214 307 E HN 0.423 nan 8.360 nan 0.000 0.417 308 F N 0.823 120.873 119.950 0.166 0.000 2.629 308 F HA 0.922 5.449 4.527 0.000 0.000 0.316 308 F C -1.148 174.781 175.800 0.215 0.000 1.081 308 F CA -1.236 56.916 58.000 0.254 0.000 0.954 308 F CB 1.413 40.518 39.000 0.175 0.000 1.337 308 F HN 0.299 nan 8.300 nan 0.000 0.474 309 A N 1.316 124.419 122.820 0.472 0.000 2.488 309 A HA 0.646 4.966 4.320 0.001 0.000 0.295 309 A C -1.389 176.347 177.584 0.253 0.000 1.045 309 A CA -0.867 51.347 52.037 0.296 0.000 0.703 309 A CB 1.159 20.385 19.000 0.377 0.000 1.271 309 A HN 0.836 nan 8.150 nan 0.000 0.400 310 V N 1.955 121.957 119.914 0.147 0.000 2.673 310 V HA 0.168 4.288 4.120 0.001 0.000 0.303 310 V C 1.521 177.558 176.094 -0.095 0.000 1.046 310 V CA 1.267 63.560 62.300 -0.011 0.000 1.126 310 V CB 1.418 33.171 31.823 -0.117 0.000 0.934 310 V HN 1.111 nan 8.190 nan 0.000 0.487 311 S N 2.788 118.274 115.700 -0.358 0.000 2.497 311 S HA 0.231 4.701 4.470 0.001 0.000 0.221 311 S C 0.427 174.803 174.600 -0.373 0.000 1.037 311 S CA 0.184 58.123 58.200 -0.435 0.000 0.920 311 S CB 0.067 62.764 63.200 -0.839 0.000 0.800 311 S HN 0.760 nan 8.310 nan 0.000 0.505 312 K N 0.470 120.626 120.400 -0.406 0.000 2.583 312 K HA 0.498 4.818 4.320 0.001 0.000 0.260 312 K C -2.070 174.511 176.600 -0.030 0.000 0.931 312 K CA -0.385 55.818 56.287 -0.140 0.000 0.849 312 K CB 1.266 33.753 32.500 -0.023 0.000 1.347 312 K HN 0.214 nan 8.250 nan 0.000 0.425 313 I N 5.266 125.853 120.570 0.027 0.000 2.498 313 I HA 0.663 4.833 4.170 0.001 0.000 0.290 313 I C -1.484 174.677 176.117 0.075 0.000 1.032 313 I CA -0.931 60.409 61.300 0.067 0.000 1.073 313 I CB 1.054 39.053 38.000 -0.002 0.000 1.251 313 I HN 0.807 nan 8.210 nan 0.000 0.426 314 I N 6.661 127.285 120.570 0.090 0.000 2.913 314 I HA 0.413 4.584 4.170 0.001 0.000 0.302 314 I C -1.493 174.732 176.117 0.179 0.000 1.246 314 I CA -0.658 60.717 61.300 0.123 0.000 1.010 314 I CB 1.974 40.065 38.000 0.153 0.000 1.259 314 I HN 0.465 nan 8.210 nan 0.000 0.434 315 K N 3.376 123.893 120.400 0.194 0.000 2.207 315 K HA 0.404 4.725 4.320 0.001 0.000 0.255 315 K C -0.565 176.180 176.600 0.241 0.000 0.941 315 K CA -0.329 56.084 56.287 0.209 0.000 0.825 315 K CB 1.964 34.530 32.500 0.110 0.000 1.119 315 K HN 0.668 nan 8.250 nan 0.000 0.430 316 S N 1.887 117.741 115.700 0.258 0.000 2.579 316 S HA 0.022 4.493 4.470 0.001 0.000 0.275 316 S C 1.135 175.763 174.600 0.046 0.000 1.345 316 S CA 0.152 58.398 58.200 0.077 0.000 1.031 316 S CB 0.889 64.172 63.200 0.138 0.000 0.892 316 S HN 0.744 nan 8.310 nan 0.000 0.529 317 K N 2.136 122.531 120.400 -0.008 0.000 2.137 317 K HA 0.034 4.355 4.320 0.001 0.000 0.202 317 K C 0.731 177.325 176.600 -0.009 0.000 1.052 317 K CA 0.929 57.208 56.287 -0.014 0.000 0.961 317 K CB -0.134 32.336 32.500 -0.050 0.000 0.741 317 K HN 0.687 nan 8.250 nan 0.000 0.452 318 N N -0.118 118.579 118.700 -0.004 0.000 2.419 318 N HA 0.115 4.856 4.740 0.001 0.000 0.216 318 N C 0.332 175.837 175.510 -0.008 0.000 1.118 318 N CA -0.016 53.030 53.050 -0.006 0.000 0.850 318 N CB 0.629 39.114 38.487 -0.003 0.000 1.292 318 N HN 0.030 nan 8.380 nan 0.000 0.467 319 L N 2.471 123.707 121.223 0.021 0.000 2.436 319 L HA 0.284 4.625 4.340 0.001 0.000 0.265 319 L C -1.830 174.977 176.870 -0.105 0.000 1.168 319 L CA -1.444 53.398 54.840 0.003 0.000 0.815 319 L CB 0.308 42.482 42.059 0.192 0.000 1.109 319 L HN -0.165 nan 8.230 nan 0.000 0.462 320 P HA 0.192 nan 4.420 nan 0.000 0.220 320 P C -1.078 175.804 177.300 -0.697 0.000 1.778 320 P CA 0.239 63.052 63.100 -0.480 0.000 0.912 320 P CB -0.404 30.984 31.700 -0.521 0.000 1.861 321 F N -0.861 119.129 119.950 0.066 0.000 2.551 321 F HA 0.501 5.029 4.527 0.001 0.000 0.316 321 F C 0.162 176.070 175.800 0.180 0.000 1.089 321 F CA -1.308 56.778 58.000 0.142 0.000 0.915 321 F CB 1.897 41.066 39.000 0.282 0.000 1.186 321 F HN -0.330 nan 8.300 nan 0.000 0.456 322 V N 2.063 122.166 119.914 0.314 0.000 2.656 322 V HA 0.869 4.989 4.120 0.001 0.000 0.307 322 V C -0.667 175.453 176.094 0.043 0.000 1.051 322 V CA -0.724 61.687 62.300 0.185 0.000 0.893 322 V CB 1.771 33.655 31.823 0.102 0.000 0.999 322 V HN 0.949 nan 8.190 nan 0.000 0.426 323 A N 4.866 127.600 122.820 -0.143 0.000 2.380 323 A HA 1.072 5.392 4.320 0.001 0.000 0.315 323 A C -1.087 176.446 177.584 -0.085 0.000 1.101 323 A CA -0.480 51.303 52.037 -0.424 0.000 0.771 323 A CB 1.569 19.782 19.000 -1.312 0.000 1.287 323 A HN 1.246 nan 8.150 nan 0.000 0.436 324 F N -0.995 118.811 119.950 -0.240 0.000 2.711 324 F HA 0.843 5.370 4.527 0.000 0.000 0.313 324 F C -1.249 174.527 175.800 -0.040 0.000 1.141 324 F CA -1.829 56.085 58.000 -0.144 0.000 0.941 324 F CB 1.110 39.998 39.000 -0.186 0.000 1.349 324 F HN 0.730 nan 8.300 nan 0.000 0.464 325 F N -0.055 119.871 119.950 -0.040 0.000 2.588 325 F HA 0.852 5.380 4.527 0.001 0.000 0.310 325 F C -1.893 173.950 175.800 0.072 0.000 1.082 325 F CA -1.579 56.352 58.000 -0.116 0.000 0.929 325 F CB 1.424 40.346 39.000 -0.131 0.000 1.254 325 F HN 0.451 nan 8.300 nan 0.000 0.455 326 V N 2.449 122.446 119.914 0.138 0.000 2.465 326 V HA 0.194 4.315 4.120 0.001 0.000 0.279 326 V C 0.210 176.499 176.094 0.325 0.000 1.045 326 V CA -0.650 61.753 62.300 0.172 0.000 0.938 326 V CB 1.213 33.160 31.823 0.206 0.000 0.986 326 V HN 0.934 nan 8.190 nan 0.000 0.467 327 E N 4.309 124.682 120.200 0.289 0.000 2.414 327 E HA 0.322 4.672 4.350 0.001 0.000 0.263 327 E C 0.791 177.680 176.600 0.481 0.000 1.000 327 E CA 0.478 57.129 56.400 0.417 0.000 0.914 327 E CB 0.430 30.324 29.700 0.324 0.000 0.948 327 E HN 1.218 nan 8.360 nan 0.000 0.444 328 A N 2.654 125.796 122.820 0.536 0.000 2.822 328 A HA -0.188 4.133 4.320 0.001 0.000 0.287 328 A C 0.240 178.046 177.584 0.370 0.000 1.479 328 A CA 1.393 53.642 52.037 0.353 0.000 0.779 328 A CB -2.661 16.254 19.000 -0.141 0.000 1.022 328 A HN 0.783 nan 8.150 nan 0.000 0.532 329 T N -3.433 111.352 114.554 0.386 0.000 2.926 329 T HA 0.734 5.084 4.350 0.001 0.000 0.289 329 T C 0.052 174.887 174.700 0.225 0.000 1.054 329 T CA -0.425 61.859 62.100 0.308 0.000 1.015 329 T CB 1.609 70.610 68.868 0.221 0.000 1.167 329 T HN 0.325 nan 8.240 nan 0.000 0.526 330 K N 0.674 121.208 120.400 0.225 0.000 2.965 330 K HA 0.427 4.747 4.320 0.001 0.000 0.216 330 K C -0.104 176.632 176.600 0.227 0.000 1.164 330 K CA -0.591 55.833 56.287 0.227 0.000 1.153 330 K CB -0.592 32.054 32.500 0.243 0.000 1.045 330 K HN 0.775 nan 8.250 nan 0.000 0.460 331 C N -1.595 117.742 119.300 0.061 0.000 3.323 331 C HA 0.778 5.239 4.460 0.001 0.000 0.324 331 C C -0.735 174.252 174.990 -0.005 0.000 1.428 331 C CA -1.445 57.568 59.018 -0.009 0.000 1.368 331 C CB 0.740 28.162 27.740 -0.529 0.000 1.731 331 C HN 0.449 nan 8.230 nan 0.000 0.455 332 I N -0.840 119.714 120.570 -0.027 0.000 2.608 332 I HA 0.798 4.969 4.170 0.001 0.000 0.295 332 I C -1.197 174.682 176.117 -0.398 0.000 1.049 332 I CA -1.054 60.119 61.300 -0.212 0.000 1.063 332 I CB 1.743 39.639 38.000 -0.174 0.000 1.248 332 I HN 0.697 nan 8.210 nan 0.000 0.424 333 I N 5.690 125.844 120.570 -0.695 0.000 2.412 333 I HA 0.464 4.635 4.170 0.001 0.000 0.296 333 I C -0.527 175.247 176.117 -0.572 0.000 0.987 333 I CA -0.643 60.259 61.300 -0.663 0.000 1.180 333 I CB 2.064 39.552 38.000 -0.854 0.000 1.340 333 I HN 0.464 nan 8.210 nan 0.000 0.455 334 I N 7.027 127.415 120.570 -0.304 0.000 2.382 334 I HA 0.392 4.562 4.170 0.001 0.000 0.286 334 I C -0.525 175.576 176.117 -0.027 0.000 1.002 334 I CA -0.484 60.703 61.300 -0.188 0.000 1.135 334 I CB 1.239 39.124 38.000 -0.193 0.000 1.288 334 I HN 0.296 nan 8.210 nan 0.000 0.448 335 L N 5.194 126.423 121.223 0.010 0.000 2.334 335 L HA 0.562 4.902 4.340 0.001 0.000 0.270 335 L C -0.038 176.916 176.870 0.140 0.000 1.018 335 L CA -0.725 54.096 54.840 -0.031 0.000 0.811 335 L CB 1.651 43.564 42.059 -0.242 0.000 1.271 335 L HN 0.561 nan 8.230 nan 0.000 0.443 336 E N 1.485 121.741 120.200 0.093 0.000 2.191 336 E HA 0.437 4.788 4.350 0.001 0.000 0.278 336 E C -1.165 175.389 176.600 -0.077 0.000 0.972 336 E CA -0.663 55.745 56.400 0.015 0.000 0.804 336 E CB 1.428 31.149 29.700 0.036 0.000 1.110 336 E HN 0.459 nan 8.360 nan 0.000 0.394 337 M N 2.760 122.273 119.600 -0.146 0.000 2.108 337 M HA 0.152 4.632 4.480 0.001 0.000 0.354 337 M C 0.045 176.283 176.300 -0.102 0.000 1.229 337 M CA -0.369 54.871 55.300 -0.100 0.000 1.081 337 M CB 1.604 34.152 32.600 -0.087 0.000 1.606 337 M HN 0.391 nan 8.290 nan 0.000 0.467 338 S N 2.334 118.000 115.700 -0.057 0.000 2.525 338 S HA -0.011 4.459 4.470 0.001 0.000 0.285 338 S C 1.167 175.738 174.600 -0.048 0.000 1.283 338 S CA -0.198 57.976 58.200 -0.043 0.000 1.072 338 S CB 0.344 63.534 63.200 -0.017 0.000 0.867 338 S HN 0.790 nan 8.310 nan 0.000 0.492 339 E N 4.209 124.378 120.200 -0.052 0.000 2.442 339 E HA 0.037 4.387 4.350 0.001 0.000 0.195 339 E C 1.217 177.801 176.600 -0.026 0.000 1.030 339 E CA 0.044 56.417 56.400 -0.045 0.000 0.869 339 E CB 0.091 29.760 29.700 -0.051 0.000 0.857 339 E HN 0.462 nan 8.360 nan 0.000 0.505 340 K N 0.342 120.731 120.400 -0.019 0.000 2.067 340 K HA 0.040 4.361 4.320 0.001 0.000 0.203 340 K C 0.665 177.261 176.600 -0.008 0.000 1.048 340 K CA 0.699 56.980 56.287 -0.011 0.000 0.954 340 K CB 0.245 32.741 32.500 -0.006 0.000 0.737 340 K HN 0.078 nan 8.250 nan 0.000 0.444 341 Q N 1.385 121.180 119.800 -0.007 0.000 2.337 341 Q HA 0.161 4.501 4.340 0.001 0.000 0.264 341 Q C -1.288 174.710 176.000 -0.004 0.000 1.007 341 Q CA -0.262 55.539 55.803 -0.004 0.000 0.727 341 Q CB 1.411 30.148 28.738 -0.002 0.000 1.256 341 Q HN -0.056 nan 8.270 nan 0.000 0.467 342 K N 1.914 122.313 120.400 -0.001 0.000 2.511 342 K HA 0.246 4.567 4.320 0.001 0.000 0.280 342 K C 0.619 177.224 176.600 0.008 0.000 1.008 342 K CA 1.581 57.870 56.287 0.004 0.000 1.050 342 K CB -0.102 32.406 32.500 0.014 0.000 0.889 342 K HN 0.894 nan 8.250 nan 0.000 0.484 343 G N 3.171 111.975 108.800 0.008 0.000 2.213 343 G HA2 -0.196 3.764 3.960 0.001 0.000 0.236 343 G HA3 -0.196 3.764 3.960 0.001 0.000 0.236 343 G C -0.397 174.497 174.900 -0.010 0.000 0.991 343 G CA 0.033 45.135 45.100 0.004 0.000 0.629 343 G HN 0.699 nan 8.290 nan 0.000 0.517 344 D N 0.885 121.282 120.400 -0.005 0.000 2.351 344 D HA 0.593 5.234 4.640 0.001 0.000 0.251 344 D C 0.628 176.933 176.300 0.009 0.000 1.137 344 D CA 0.304 54.308 54.000 0.006 0.000 0.879 344 D CB 1.158 41.963 40.800 0.008 0.000 1.181 344 D HN 0.351 nan 8.370 nan 0.000 0.448 345 L N 1.214 122.462 121.223 0.042 0.000 2.333 345 L HA 0.820 5.160 4.340 0.001 0.000 0.269 345 L C -0.184 176.745 176.870 0.098 0.000 1.010 345 L CA -0.871 53.973 54.840 0.007 0.000 0.818 345 L CB 1.958 43.969 42.059 -0.079 0.000 1.306 345 L HN 0.358 nan 8.230 nan 0.000 0.430 346 A N 1.839 124.661 122.820 0.003 0.000 2.547 346 A HA 0.639 4.959 4.320 0.001 0.000 0.297 346 A C -1.326 176.277 177.584 0.032 0.000 1.056 346 A CA -0.573 51.545 52.037 0.135 0.000 0.688 346 A CB 1.553 20.630 19.000 0.128 0.000 1.282 346 A HN 0.569 nan 8.150 nan 0.000 0.400 347 L N 1.259 122.585 121.223 0.171 0.000 2.485 347 L HA 0.325 4.666 4.340 0.001 0.000 0.275 347 L C 1.099 178.043 176.870 0.124 0.000 1.207 347 L CA 0.816 55.727 54.840 0.118 0.000 0.855 347 L CB 0.407 42.624 42.059 0.264 0.000 1.114 347 L HN 0.786 nan 8.230 nan 0.000 0.485 348 K N 2.255 122.725 120.400 0.117 0.000 2.424 348 K HA 0.229 4.550 4.320 0.001 0.000 0.198 348 K C -0.258 176.418 176.600 0.127 0.000 1.190 348 K CA 0.399 56.790 56.287 0.173 0.000 0.935 348 K CB 0.540 33.216 32.500 0.294 0.000 1.087 348 K HN 0.844 nan 8.250 nan 0.000 0.524 349 Q N -0.053 119.793 119.800 0.075 0.000 2.805 349 Q HA 0.291 4.631 4.340 0.001 0.000 0.257 349 Q C -1.903 174.079 176.000 -0.030 0.000 0.977 349 Q CA -0.375 55.456 55.803 0.046 0.000 0.901 349 Q CB 1.297 30.091 28.738 0.093 0.000 1.778 349 Q HN 0.054 nan 8.270 nan 0.000 0.441 350 I N 3.622 124.166 120.570 -0.043 0.000 2.509 350 I HA 0.527 4.697 4.170 0.001 0.000 0.293 350 I C -0.557 175.479 176.117 -0.136 0.000 1.020 350 I CA -0.903 60.328 61.300 -0.115 0.000 1.088 350 I CB 1.818 39.769 38.000 -0.082 0.000 1.267 350 I HN 0.500 nan 8.210 nan 0.000 0.430 351 I N 4.637 125.076 120.570 -0.219 0.000 2.436 351 I HA 0.348 4.519 4.170 0.001 0.000 0.289 351 I C -0.280 175.489 176.117 -0.581 0.000 1.010 351 I CA -0.302 60.785 61.300 -0.356 0.000 1.098 351 I CB 2.189 39.994 38.000 -0.325 0.000 1.266 351 I HN 0.497 nan 8.210 nan 0.000 0.434 352 T N 5.567 119.758 114.554 -0.605 0.000 2.895 352 T HA 0.692 5.042 4.350 0.001 0.000 0.283 352 T C -0.674 173.591 174.700 -0.725 0.000 1.014 352 T CA -0.288 61.552 62.100 -0.433 0.000 1.037 352 T CB 1.104 69.925 68.868 -0.078 0.000 1.006 352 T HN 0.163 nan 8.240 nan 0.000 0.468 353 F N 0.897 120.834 119.950 -0.021 0.000 2.640 353 F HA 0.446 4.973 4.527 0.001 0.000 0.324 353 F C -1.835 173.919 175.800 -0.078 0.000 1.077 353 F CA -2.518 55.456 58.000 -0.042 0.000 0.965 353 F CB 0.999 39.973 39.000 -0.043 0.000 1.351 353 F HN 0.319 nan 8.300 nan 0.000 0.487 354 P HA 0.004 nan 4.420 nan 0.000 0.233 354 P C -1.101 175.883 177.300 -0.527 0.000 1.167 354 P CA 1.362 64.283 63.100 -0.298 0.000 0.770 354 P CB 0.087 31.523 31.700 -0.440 0.000 0.837 355 Y N -2.045 118.306 120.300 0.085 0.000 2.705 355 Y HA 0.303 4.854 4.550 0.001 0.000 0.332 355 Y C 0.555 176.491 175.900 0.059 0.000 1.157 355 Y CA -1.415 56.713 58.100 0.047 0.000 1.091 355 Y CB 0.319 38.769 38.460 -0.016 0.000 1.301 355 Y HN -0.391 nan 8.280 nan 0.000 0.488 356 N N 0.066 118.924 118.700 0.265 0.000 2.458 356 N HA 0.221 4.962 4.740 0.001 0.000 0.258 356 N C -1.179 174.331 175.510 0.000 0.000 1.219 356 N CA -0.240 52.922 53.050 0.186 0.000 0.902 356 N CB 0.649 39.325 38.487 0.316 0.000 1.076 356 N HN 0.163 nan 8.380 nan 0.000 0.455 357 V N 3.503 123.328 119.914 -0.148 0.000 2.572 357 V HA -0.008 4.112 4.120 0.001 0.000 0.291 357 V C 0.897 176.646 176.094 -0.575 0.000 1.039 357 V CA 0.264 62.244 62.300 -0.534 0.000 1.055 357 V CB 1.046 32.363 31.823 -0.844 0.000 0.969 357 V HN 0.652 nan 8.190 nan 0.000 0.482 358 I N 3.413 123.647 120.570 -0.559 0.000 4.139 358 I HA 0.166 4.337 4.170 0.001 0.000 0.320 358 I C 0.827 176.788 176.117 -0.261 0.000 1.290 358 I CA 0.719 61.809 61.300 -0.349 0.000 1.253 358 I CB 0.688 38.524 38.000 -0.273 0.000 1.122 358 I HN 0.789 nan 8.210 nan 0.000 0.421 359 S N 0.255 115.680 115.700 -0.459 0.000 2.547 359 S HA 0.716 5.187 4.470 0.001 0.000 0.270 359 S C -1.558 172.871 174.600 -0.285 0.000 1.150 359 S CA -0.702 57.391 58.200 -0.178 0.000 0.850 359 S CB 2.077 65.238 63.200 -0.065 0.000 1.118 359 S HN -0.034 nan 8.310 nan 0.000 0.461 360 L N 1.448 122.690 121.223 0.032 0.000 2.436 360 L HA 0.902 5.243 4.340 0.001 0.000 0.268 360 L C -0.985 175.933 176.870 0.079 0.000 0.974 360 L CA 0.230 55.078 54.840 0.013 0.000 0.826 360 L CB 1.753 43.930 42.059 0.197 0.000 1.291 360 L HN 0.946 nan 8.230 nan 0.000 0.406 361 S N 2.422 118.161 115.700 0.064 0.000 2.651 361 S HA 1.010 5.481 4.470 0.001 0.000 0.279 361 S C -1.288 173.441 174.600 0.214 0.000 1.148 361 S CA -0.277 57.993 58.200 0.118 0.000 0.837 361 S CB 1.907 65.147 63.200 0.067 0.000 1.138 361 S HN 0.999 nan 8.310 nan 0.000 0.478 362 A N 1.480 124.422 122.820 0.204 0.000 2.422 362 A HA 0.730 5.051 4.320 0.001 0.000 0.302 362 A C -1.428 176.247 177.584 0.152 0.000 1.041 362 A CA -0.463 51.688 52.037 0.189 0.000 0.708 362 A CB 1.182 20.305 19.000 0.205 0.000 1.257 362 A HN 0.834 nan 8.150 nan 0.000 0.414 363 H N 3.423 122.503 119.070 0.017 0.000 2.970 363 H HA 0.289 4.845 4.556 0.001 0.000 0.315 363 H C 0.157 175.484 175.328 -0.001 0.000 0.992 363 H CA -0.117 55.949 56.048 0.029 0.000 1.363 363 H CB 0.475 30.270 29.762 0.055 0.000 1.532 363 H HN 0.943 nan 8.280 nan 0.000 0.514 364 N N 3.145 121.617 118.700 -0.381 0.000 1.629 364 N HA -0.276 4.464 4.740 0.001 0.000 0.153 364 N C 0.085 175.520 175.510 -0.125 0.000 0.652 364 N CA 1.958 54.865 53.050 -0.238 0.000 1.156 364 N CB -0.846 37.495 38.487 -0.243 0.000 1.324 364 N HN 0.724 nan 8.380 nan 0.000 0.449 365 D N 2.495 122.851 120.400 -0.073 0.000 2.424 365 D HA 0.093 4.734 4.640 0.001 0.000 0.220 365 D C 0.168 176.416 176.300 -0.087 0.000 1.150 365 D CA 0.135 54.096 54.000 -0.065 0.000 0.831 365 D CB 0.112 40.926 40.800 0.023 0.000 0.981 365 D HN 0.575 nan 8.370 nan 0.000 0.500 366 E N -0.080 120.062 120.200 -0.098 0.000 2.207 366 E HA 0.429 4.780 4.350 0.001 0.000 0.270 366 E C -1.027 175.429 176.600 -0.240 0.000 0.927 366 E CA -0.760 55.599 56.400 -0.067 0.000 0.799 366 E CB 1.244 31.021 29.700 0.128 0.000 1.172 366 E HN -0.300 nan 8.360 nan 0.000 0.404 367 F N 1.537 121.539 119.950 0.086 0.000 2.421 367 F HA 0.331 4.859 4.527 0.001 0.000 0.337 367 F C -0.023 175.748 175.800 -0.049 0.000 1.105 367 F CA -0.660 57.330 58.000 -0.017 0.000 1.049 367 F CB 1.798 40.721 39.000 -0.128 0.000 1.139 367 F HN 0.437 nan 8.300 nan 0.000 0.479 368 Q N 1.297 121.136 119.800 0.064 0.000 2.266 368 Q HA 0.771 5.112 4.340 0.001 0.000 0.261 368 Q C -1.064 174.786 176.000 -0.250 0.000 0.985 368 Q CA -0.728 54.937 55.803 -0.231 0.000 0.873 368 Q CB 2.589 31.097 28.738 -0.383 0.000 1.306 368 Q HN 0.478 nan 8.270 nan 0.000 0.447 369 V N 0.626 120.297 119.914 -0.405 0.000 2.962 369 V HA 0.676 4.796 4.120 0.001 0.000 0.313 369 V C -0.808 175.012 176.094 -0.456 0.000 1.099 369 V CA -0.486 61.533 62.300 -0.468 0.000 0.971 369 V CB 2.739 34.153 31.823 -0.681 0.000 1.028 369 V HN 0.815 nan 8.190 nan 0.000 0.430 370 T N 4.738 119.045 114.554 -0.412 0.000 2.876 370 T HA 0.730 5.080 4.350 0.001 0.000 0.289 370 T C -0.995 173.523 174.700 -0.302 0.000 1.014 370 T CA -0.277 61.655 62.100 -0.280 0.000 0.986 370 T CB 1.061 69.824 68.868 -0.175 0.000 1.021 370 T HN 0.407 nan 8.240 nan 0.000 0.458 371 L N 1.969 123.071 121.223 -0.203 0.000 2.341 371 L HA 0.574 4.914 4.340 0.001 0.000 0.267 371 L C -0.312 176.448 176.870 -0.183 0.000 1.009 371 L CA -1.176 53.553 54.840 -0.185 0.000 0.819 371 L CB 1.626 43.635 42.059 -0.083 0.000 1.323 371 L HN 0.483 nan 8.230 nan 0.000 0.425 372 D N 1.775 122.080 120.400 -0.158 0.000 2.453 372 D HA 0.050 4.691 4.640 0.001 0.000 0.223 372 D C 0.065 176.082 176.300 -0.471 0.000 1.183 372 D CA -0.177 53.707 54.000 -0.194 0.000 0.933 372 D CB 0.324 41.116 40.800 -0.014 0.000 1.038 372 D HN 0.529 nan 8.370 nan 0.000 0.513 373 N N 2.920 121.208 118.700 -0.686 0.000 2.380 373 N HA 0.019 4.759 4.740 0.001 0.000 0.255 373 N C 0.879 175.994 175.510 -0.657 0.000 1.158 373 N CA -0.386 51.935 53.050 -1.215 0.000 0.878 373 N CB 0.271 38.050 38.487 -1.180 0.000 1.138 373 N HN 0.239 nan 8.380 nan 0.000 0.509 374 K N 0.658 120.823 120.400 -0.392 0.000 2.113 374 K HA -0.103 4.218 4.320 0.001 0.000 0.208 374 K C -0.047 176.452 176.600 -0.168 0.000 1.047 374 K CA 1.283 57.437 56.287 -0.222 0.000 0.928 374 K CB 0.091 32.509 32.500 -0.137 0.000 0.716 374 K HN 0.447 nan 8.250 nan 0.000 0.446 375 E N 0.951 121.059 120.200 -0.154 0.000 3.012 375 E HA 0.060 4.411 4.350 0.001 0.000 0.228 375 E C -0.748 175.868 176.600 0.028 0.000 1.184 375 E CA -0.439 55.938 56.400 -0.039 0.000 1.407 375 E CB 1.033 30.743 29.700 0.018 0.000 1.438 375 E HN 0.184 nan 8.360 nan 0.000 0.435 376 S N 0.207 115.889 115.700 -0.031 0.000 2.694 376 S HA 0.602 5.073 4.470 0.001 0.000 0.278 376 S C 0.290 174.906 174.600 0.027 0.000 1.152 376 S CA -0.837 57.400 58.200 0.062 0.000 1.010 376 S CB 1.269 64.478 63.200 0.015 0.000 1.104 376 S HN 0.162 nan 8.310 nan 0.000 0.547 377 S N -1.259 114.460 115.700 0.033 0.000 2.547 377 S HA 0.810 5.280 4.470 0.001 0.000 0.281 377 S C 0.485 175.095 174.600 0.015 0.000 1.118 377 S CA -0.412 57.799 58.200 0.019 0.000 0.947 377 S CB 0.875 64.088 63.200 0.021 0.000 1.053 377 S HN 2.069 nan 8.310 nan 0.000 0.482 378 G N 1.488 110.295 108.800 0.011 0.000 2.559 378 G HA2 -0.248 3.712 3.960 0.001 0.000 0.282 378 G HA3 -0.248 3.712 3.960 0.001 0.000 0.282 378 G C -0.370 174.539 174.900 0.015 0.000 1.177 378 G CA -0.172 44.935 45.100 0.012 0.000 0.960 378 G HN 1.593 nan 8.290 nan 0.000 0.540 379 V N 2.748 122.673 119.914 0.019 0.000 2.427 379 V HA 0.411 4.531 4.120 0.001 0.000 0.268 379 V C 0.914 177.021 176.094 0.021 0.000 1.046 379 V CA 0.446 62.762 62.300 0.027 0.000 0.970 379 V CB 1.181 33.024 31.823 0.032 0.000 1.001 379 V HN 0.679 nan 8.190 nan 0.000 0.476 380 Q N 5.448 125.259 119.800 0.020 0.000 2.262 380 Q HA 0.203 4.543 4.340 0.001 0.000 0.272 380 Q C -0.089 175.871 176.000 -0.066 0.000 1.076 380 Q CA 0.501 56.270 55.803 -0.057 0.000 0.905 380 Q CB 0.492 29.211 28.738 -0.032 0.000 1.182 380 Q HN 0.706 nan 8.270 nan 0.000 0.390 381 K N 2.641 122.948 120.400 -0.154 0.000 2.261 381 K HA 0.277 4.598 4.320 0.001 0.000 0.242 381 K C -0.504 175.983 176.600 -0.189 0.000 1.083 381 K CA -0.616 55.630 56.287 -0.068 0.000 0.880 381 K CB 1.173 33.695 32.500 0.035 0.000 1.353 381 K HN 0.724 nan 8.250 nan 0.000 0.486 382 N N 0.702 119.410 118.700 0.015 0.000 2.740 382 N HA -0.181 4.559 4.740 0.001 0.000 0.248 382 N C 0.313 175.800 175.510 -0.039 0.000 1.062 382 N CA 0.782 53.871 53.050 0.065 0.000 0.704 382 N CB -1.642 36.961 38.487 0.194 0.000 0.968 382 N HN 0.430 nan 8.380 nan 0.000 0.547 383 F N -0.243 119.718 119.950 0.019 0.000 2.259 383 F HA 0.110 4.638 4.527 0.001 0.000 0.298 383 F C 1.647 177.422 175.800 -0.042 0.000 1.088 383 F CA 1.342 59.324 58.000 -0.030 0.000 1.358 383 F CB 0.267 39.245 39.000 -0.036 0.000 1.040 383 F HN 0.311 nan 8.300 nan 0.000 0.505 384 A N -0.888 122.030 122.820 0.163 0.000 2.609 384 A HA 0.709 5.029 4.320 0.001 0.000 0.291 384 A C -1.131 176.385 177.584 -0.113 0.000 1.096 384 A CA -0.873 51.117 52.037 -0.078 0.000 0.684 384 A CB 1.513 20.406 19.000 -0.178 0.000 1.282 384 A HN -0.151 nan 8.150 nan 0.000 0.412 385 K N 0.311 120.525 120.400 -0.310 0.000 2.464 385 K HA 0.592 4.913 4.320 0.001 0.000 0.253 385 K C -1.925 174.468 176.600 -0.345 0.000 0.933 385 K CA -0.127 56.083 56.287 -0.129 0.000 0.801 385 K CB 1.656 34.205 32.500 0.081 0.000 1.271 385 K HN 0.504 nan 8.250 nan 0.000 0.430 386 F N 2.302 122.262 119.950 0.017 0.000 2.388 386 F HA 0.430 4.958 4.527 0.001 0.000 0.358 386 F C 0.330 176.191 175.800 0.102 0.000 1.122 386 F CA -0.861 57.153 58.000 0.023 0.000 1.056 386 F CB 0.702 39.689 39.000 -0.022 0.000 1.155 386 F HN 0.219 nan 8.300 nan 0.000 0.461 387 I N 3.145 123.874 120.570 0.264 0.000 2.336 387 I HA 0.319 4.489 4.170 0.001 0.000 0.292 387 I C -0.282 176.034 176.117 0.332 0.000 0.991 387 I CA -0.191 61.288 61.300 0.299 0.000 1.227 387 I CB 1.259 39.447 38.000 0.314 0.000 1.366 387 I HN 0.569 nan 8.210 nan 0.000 0.466 388 E N 4.016 124.409 120.200 0.322 0.000 2.277 388 E HA 0.339 4.690 4.350 0.001 0.000 0.266 388 E C -1.539 175.212 176.600 0.253 0.000 0.901 388 E CA -0.961 55.605 56.400 0.277 0.000 0.782 388 E CB 2.207 32.000 29.700 0.154 0.000 1.228 388 E HN 0.389 nan 8.360 nan 0.000 0.424 389 Y N 2.340 122.599 120.300 -0.069 0.000 2.316 389 Y HA 0.165 4.715 4.550 0.001 0.000 0.331 389 Y C -0.359 175.385 175.900 -0.260 0.000 1.083 389 Y CA -0.539 57.266 58.100 -0.492 0.000 1.206 389 Y CB 0.679 38.675 38.460 -0.773 0.000 1.195 389 Y HN 0.377 nan 8.280 nan 0.000 0.497 390 N N 6.954 125.146 118.700 -0.847 0.000 2.485 390 N HA 0.126 4.866 4.740 0.001 0.000 0.243 390 N C 0.443 175.500 175.510 -0.754 0.000 0.987 390 N CA -0.004 52.702 53.050 -0.573 0.000 0.940 390 N CB 0.701 38.972 38.487 -0.359 0.000 1.122 390 N HN 0.945 nan 8.380 nan 0.000 0.509 391 L N 2.752 123.698 121.223 -0.461 0.000 2.083 391 L HA -0.163 4.178 4.340 0.001 0.000 0.209 391 L C 2.107 178.851 176.870 -0.211 0.000 1.083 391 L CA 0.839 55.504 54.840 -0.291 0.000 0.752 391 L CB -0.420 41.586 42.059 -0.089 0.000 0.899 391 L HN 0.501 nan 8.230 nan 0.000 0.433 392 N N 0.706 119.297 118.700 -0.182 0.000 2.058 392 N HA -0.212 4.529 4.740 0.001 0.000 0.191 392 N C 1.643 177.073 175.510 -0.134 0.000 1.037 392 N CA 1.672 54.649 53.050 -0.122 0.000 0.848 392 N CB 0.027 38.455 38.487 -0.098 0.000 1.021 392 N HN 0.351 nan 8.380 nan 0.000 0.422 393 E N -0.560 119.525 120.200 -0.191 0.000 2.478 393 E HA 0.027 4.378 4.350 0.001 0.000 0.194 393 E C -0.157 176.333 176.600 -0.183 0.000 1.045 393 E CA -0.098 56.206 56.400 -0.161 0.000 0.868 393 E CB -0.057 29.551 29.700 -0.154 0.000 0.885 393 E HN 0.307 nan 8.360 nan 0.000 0.505 394 N N 0.976 119.505 118.700 -0.286 0.000 2.714 394 N HA -0.182 4.558 4.740 0.001 0.000 0.253 394 N C -1.738 173.679 175.510 -0.156 0.000 1.024 394 N CA 1.000 53.935 53.050 -0.192 0.000 0.726 394 N CB -0.931 37.564 38.487 0.013 0.000 0.908 394 N HN 0.144 nan 8.380 nan 0.000 0.542 395 S N -0.685 114.724 115.700 -0.486 0.000 2.587 395 S HA 0.637 5.107 4.470 0.001 0.000 0.269 395 S C -1.386 173.034 174.600 -0.301 0.000 1.154 395 S CA -0.759 57.333 58.200 -0.180 0.000 0.824 395 S CB 0.421 63.571 63.200 -0.085 0.000 1.118 395 S HN 0.144 nan 8.310 nan 0.000 0.462 396 F N 2.124 122.111 119.950 0.063 0.000 2.394 396 F HA 0.628 5.155 4.527 0.001 0.000 0.340 396 F C 0.398 176.212 175.800 0.022 0.000 1.105 396 F CA -0.181 57.875 58.000 0.092 0.000 1.124 396 F CB 1.877 40.951 39.000 0.125 0.000 1.145 396 F HN 0.444 nan 8.300 nan 0.000 0.505 397 V N 1.568 121.613 119.914 0.218 0.000 2.888 397 V HA 0.633 4.753 4.120 0.001 0.000 0.309 397 V C -0.830 175.354 176.094 0.150 0.000 1.114 397 V CA -1.071 61.300 62.300 0.118 0.000 0.940 397 V CB 1.149 32.992 31.823 0.034 0.000 1.021 397 V HN 0.446 nan 8.190 nan 0.000 0.426 398 V N 3.412 123.399 119.914 0.122 0.000 2.740 398 V HA 0.192 4.313 4.120 0.001 0.000 0.303 398 V C 0.815 176.994 176.094 0.141 0.000 1.054 398 V CA 0.071 62.465 62.300 0.156 0.000 1.106 398 V CB 0.906 32.813 31.823 0.140 0.000 0.957 398 V HN 1.019 nan 8.190 nan 0.000 0.486 399 N N 3.789 122.596 118.700 0.179 0.000 2.767 399 N HA 0.159 4.899 4.740 0.001 0.000 0.238 399 N C 0.788 176.394 175.510 0.160 0.000 1.083 399 N CA 0.055 53.193 53.050 0.147 0.000 0.964 399 N CB -0.025 38.547 38.487 0.141 0.000 1.252 399 N HN 0.672 nan 8.380 nan 0.000 0.512 400 N N 1.547 120.322 118.700 0.126 0.000 2.104 400 N HA -0.193 4.547 4.740 0.001 0.000 0.190 400 N C 0.768 176.355 175.510 0.129 0.000 1.024 400 N CA 1.482 54.608 53.050 0.126 0.000 0.853 400 N CB 0.256 38.796 38.487 0.089 0.000 1.008 400 N HN 0.504 nan 8.380 nan 0.000 0.424 401 E N 1.138 121.400 120.200 0.104 0.000 2.012 401 E HA -0.201 4.150 4.350 0.001 0.000 0.197 401 E C 1.760 178.453 176.600 0.156 0.000 1.007 401 E CA 1.076 57.537 56.400 0.101 0.000 0.816 401 E CB -0.133 29.603 29.700 0.060 0.000 0.762 401 E HN 0.255 nan 8.360 nan 0.000 0.451 402 K N 0.457 120.948 120.400 0.151 0.000 2.074 402 K HA -0.180 4.141 4.320 0.001 0.000 0.209 402 K C 2.138 178.901 176.600 0.272 0.000 1.048 402 K CA 1.744 58.156 56.287 0.208 0.000 0.926 402 K CB -0.088 32.391 32.500 -0.035 0.000 0.713 402 K HN 0.040 nan 8.250 nan 0.000 0.444 403 S N 1.109 116.975 115.700 0.277 0.000 2.355 403 S HA -0.081 4.390 4.470 0.001 0.000 0.222 403 S C 1.572 176.343 174.600 0.285 0.000 1.031 403 S CA 1.252 59.688 58.200 0.393 0.000 0.993 403 S CB -0.382 63.031 63.200 0.355 0.000 0.859 403 S HN 0.399 nan 8.310 nan 0.000 0.453 404 N N 1.303 120.132 118.700 0.214 0.000 2.142 404 N HA -0.053 4.688 4.740 0.001 0.000 0.186 404 N C 1.598 177.192 175.510 0.140 0.000 1.023 404 N CA 0.883 54.029 53.050 0.161 0.000 0.852 404 N CB -0.366 38.196 38.487 0.125 0.000 0.998 404 N HN 0.359 nan 8.380 nan 0.000 0.424 405 E N 0.315 120.630 120.200 0.191 0.000 2.153 405 E HA -0.120 4.231 4.350 0.001 0.000 0.194 405 E C 1.734 178.340 176.600 0.010 0.000 0.988 405 E CA 0.332 56.861 56.400 0.215 0.000 0.811 405 E CB -0.450 29.506 29.700 0.425 0.000 0.746 405 E HN 0.336 nan 8.360 nan 0.000 0.466 406 F N 2.680 122.398 119.950 -0.386 0.000 2.102 406 F HA -0.177 4.350 4.527 0.001 0.000 0.298 406 F C 1.697 177.201 175.800 -0.493 0.000 1.105 406 F CA 1.537 58.961 58.000 -0.959 0.000 1.239 406 F CB -0.090 38.362 39.000 -0.914 0.000 0.991 406 F HN -0.111 nan 8.300 nan 0.000 0.474 407 D N -0.535 119.798 120.400 -0.112 0.000 2.149 407 D HA -0.226 4.414 4.640 0.001 0.000 0.194 407 D C 2.490 178.703 176.300 -0.145 0.000 1.001 407 D CA 1.644 55.627 54.000 -0.029 0.000 0.849 407 D CB -0.775 40.143 40.800 0.197 0.000 0.939 407 D HN 0.323 nan 8.370 nan 0.000 0.449 408 S N -0.152 115.487 115.700 -0.102 0.000 2.355 408 S HA -0.103 4.367 4.470 0.001 0.000 0.222 408 S C 2.034 176.550 174.600 -0.140 0.000 1.031 408 S CA 1.438 59.597 58.200 -0.067 0.000 0.993 408 S CB -0.180 63.026 63.200 0.011 0.000 0.859 408 S HN 0.264 nan 8.310 nan 0.000 0.453 409 A N 1.523 124.207 122.820 -0.228 0.000 1.972 409 A HA 0.025 4.345 4.320 0.001 0.000 0.219 409 A C 2.069 179.488 177.584 -0.275 0.000 1.169 409 A CA 1.182 53.111 52.037 -0.181 0.000 0.635 409 A CB -0.564 18.318 19.000 -0.196 0.000 0.810 409 A HN 0.563 nan 8.150 nan 0.000 0.446 410 I N -0.110 120.088 120.570 -0.620 0.000 2.193 410 I HA -0.195 3.976 4.170 0.001 0.000 0.240 410 I C 2.424 178.300 176.117 -0.402 0.000 1.084 410 I CA 1.250 62.176 61.300 -0.624 0.000 1.365 410 I CB -1.076 36.297 38.000 -1.044 0.000 1.064 410 I HN 0.303 nan 8.210 nan 0.000 0.410 411 I N 1.022 121.391 120.570 -0.335 0.000 2.194 411 I HA -0.363 3.808 4.170 0.001 0.000 0.246 411 I C 2.567 178.594 176.117 -0.149 0.000 1.093 411 I CA 1.685 62.876 61.300 -0.183 0.000 1.355 411 I CB -0.360 37.602 38.000 -0.062 0.000 1.046 411 I HN 0.407 nan 8.210 nan 0.000 0.413 412 Q N 0.145 119.862 119.800 -0.139 0.000 2.424 412 Q HA -0.038 4.303 4.340 0.001 0.000 0.204 412 Q C 1.952 177.812 176.000 -0.233 0.000 0.933 412 Q CA 1.103 56.826 55.803 -0.134 0.000 0.929 412 Q CB -0.218 28.474 28.738 -0.077 0.000 1.037 412 Q HN 0.493 nan 8.270 nan 0.000 0.511 413 S N -0.564 114.965 115.700 -0.286 0.000 2.470 413 S HA 0.047 4.517 4.470 0.001 0.000 0.225 413 S C 1.636 175.914 174.600 -0.536 0.000 1.006 413 S CA 0.425 58.243 58.200 -0.636 0.000 0.934 413 S CB 0.363 63.306 63.200 -0.428 0.000 0.778 413 S HN 0.218 nan 8.310 nan 0.000 0.517 414 V N 0.618 120.357 119.914 -0.291 0.000 3.572 414 V HA 0.246 4.367 4.120 0.001 0.000 0.260 414 V C 0.665 176.671 176.094 -0.147 0.000 1.324 414 V CA -0.003 62.179 62.300 -0.198 0.000 1.068 414 V CB 0.267 31.993 31.823 -0.162 0.000 0.837 414 V HN 0.464 nan 8.190 nan 0.000 0.450 415 Q N -0.274 119.441 119.800 -0.141 0.000 2.364 415 Q HA 0.386 4.727 4.340 0.001 0.000 0.267 415 Q C 1.275 177.221 176.000 -0.090 0.000 0.999 415 Q CA 1.045 56.792 55.803 -0.094 0.000 0.886 415 Q CB 0.986 29.678 28.738 -0.076 0.000 1.243 415 Q HN 0.476 nan 8.270 nan 0.000 0.415 416 G N 2.335 111.097 108.800 -0.063 0.000 2.611 416 G HA2 -0.249 3.712 3.960 0.001 0.000 0.208 416 G HA3 -0.249 3.712 3.960 0.001 0.000 0.208 416 G C -0.043 174.827 174.900 -0.050 0.000 1.201 416 G CA -0.061 45.006 45.100 -0.055 0.000 0.739 416 G HN 0.669 nan 8.290 nan 0.000 0.528 417 D N 2.104 122.467 120.400 -0.061 0.000 2.426 417 D HA 0.397 5.038 4.640 0.001 0.000 0.261 417 D C 1.939 178.213 176.300 -0.043 0.000 1.245 417 D CA 0.845 54.812 54.000 -0.055 0.000 0.917 417 D CB 0.869 41.630 40.800 -0.065 0.000 1.123 417 D HN 0.497 nan 8.370 nan 0.000 0.508 418 S N 2.837 118.515 115.700 -0.036 0.000 2.522 418 S HA -0.164 4.307 4.470 0.001 0.000 0.227 418 S C 1.555 176.139 174.600 -0.027 0.000 0.986 418 S CA 0.303 58.487 58.200 -0.026 0.000 0.929 418 S CB 0.011 63.199 63.200 -0.021 0.000 0.769 418 S HN 0.493 nan 8.310 nan 0.000 0.529 419 N N 2.096 120.771 118.700 -0.042 0.000 2.109 419 N HA 0.081 4.821 4.740 0.001 0.000 0.188 419 N C 1.561 177.033 175.510 -0.063 0.000 1.034 419 N CA 1.552 54.568 53.050 -0.056 0.000 0.846 419 N CB -0.517 37.924 38.487 -0.078 0.000 1.010 419 N HN 0.454 nan 8.380 nan 0.000 0.425 420 L N -0.309 120.877 121.223 -0.061 0.000 2.209 420 L HA 0.170 4.510 4.340 0.001 0.000 0.207 420 L C 0.058 176.934 176.870 0.011 0.000 1.094 420 L CA 0.204 55.017 54.840 -0.046 0.000 0.790 420 L CB 0.050 42.075 42.059 -0.058 0.000 0.932 420 L HN -0.043 nan 8.230 nan 0.000 0.447 421 V N -0.079 119.833 119.914 -0.004 0.000 2.333 421 V HA 0.451 4.571 4.120 0.001 0.000 0.274 421 V C -0.005 176.094 176.094 0.009 0.000 1.028 421 V CA -0.060 62.245 62.300 0.009 0.000 0.851 421 V CB 1.141 32.960 31.823 -0.006 0.000 1.000 421 V HN 0.180 nan 8.190 nan 0.000 0.456 422 T N 3.801 118.367 114.554 0.019 0.000 2.693 422 T HA 0.377 4.728 4.350 0.001 0.000 0.304 422 T C -0.788 173.922 174.700 0.015 0.000 1.471 422 T CA -0.855 61.256 62.100 0.018 0.000 0.993 422 T CB 1.414 70.299 68.868 0.028 0.000 1.554 422 T HN 0.621 nan 8.240 nan 0.000 0.496 423 K N 1.483 121.894 120.400 0.019 0.000 2.440 423 K HA 0.153 4.473 4.320 0.001 0.000 0.270 423 K C 1.097 177.704 176.600 0.012 0.000 0.980 423 K CA -0.122 56.175 56.287 0.017 0.000 0.953 423 K CB 0.405 32.919 32.500 0.024 0.000 0.925 423 K HN 0.444 nan 8.250 nan 0.000 0.497 424 K N 1.704 122.106 120.400 0.003 0.000 2.211 424 K HA -0.183 4.138 4.320 0.001 0.000 0.203 424 K C 1.574 178.177 176.600 0.005 0.000 1.050 424 K CA 1.366 57.646 56.287 -0.012 0.000 0.945 424 K CB 0.182 32.675 32.500 -0.013 0.000 0.732 424 K HN 0.551 nan 8.250 nan 0.000 0.451 425 E N 0.437 120.655 120.200 0.030 0.000 2.371 425 E HA -0.078 4.272 4.350 0.001 0.000 0.194 425 E C 0.392 177.050 176.600 0.097 0.000 1.012 425 E CA 0.343 56.778 56.400 0.057 0.000 0.860 425 E CB 0.391 30.124 29.700 0.056 0.000 0.811 425 E HN 0.244 nan 8.360 nan 0.000 0.502 426 E N 0.505 120.758 120.200 0.089 0.000 2.359 426 E HA 0.092 4.443 4.350 0.001 0.000 0.187 426 E C -0.292 176.407 176.600 0.165 0.000 1.081 426 E CA -0.013 56.468 56.400 0.135 0.000 0.929 426 E CB 0.304 30.061 29.700 0.096 0.000 1.086 426 E HN 0.304 nan 8.360 nan 0.000 0.462 427 I N 1.391 122.028 120.570 0.111 0.000 2.336 427 I HA 0.132 4.303 4.170 0.001 0.000 0.292 427 I C 0.328 176.561 176.117 0.194 0.000 0.991 427 I CA -0.715 60.599 61.300 0.023 0.000 1.227 427 I CB 0.785 38.621 38.000 -0.273 0.000 1.366 427 I HN 0.023 nan 8.210 nan 0.000 0.466 428 Y N 6.450 126.881 120.300 0.217 0.000 2.903 428 Y HA -0.065 4.485 4.550 0.001 0.000 0.338 428 Y C -1.709 174.106 175.900 -0.142 0.000 1.265 428 Y CA -1.739 56.296 58.100 -0.108 0.000 1.532 428 Y CB -0.001 38.395 38.460 -0.106 0.000 1.293 428 Y HN 0.317 nan 8.280 nan 0.000 0.609 429 P HA -0.043 nan 4.420 nan 0.000 0.265 429 P C -0.063 177.310 177.300 0.121 0.000 1.193 429 P CA 0.611 63.702 63.100 -0.015 0.000 0.765 429 P CB 0.510 32.147 31.700 -0.105 0.000 0.823 430 L N 1.448 122.722 121.223 0.086 0.000 2.766 430 L HA 0.211 4.551 4.340 0.001 0.000 0.242 430 L C -0.092 176.575 176.870 -0.338 0.000 1.136 430 L CA 0.191 54.956 54.840 -0.125 0.000 0.933 430 L CB 0.041 41.915 42.059 -0.308 0.000 1.241 430 L HN 0.367 nan 8.230 nan 0.000 0.522 431 Y N 0.168 120.493 120.300 0.042 0.000 2.805 431 Y HA 0.336 4.887 4.550 0.001 0.000 0.339 431 Y C 0.635 176.543 175.900 0.013 0.000 1.012 431 Y CA -0.675 57.450 58.100 0.043 0.000 1.262 431 Y CB 0.321 38.802 38.460 0.035 0.000 1.100 431 Y HN -0.007 nan 8.280 nan 0.000 0.559 432 N N 1.225 119.971 118.700 0.076 0.000 2.200 432 N HA 0.028 4.769 4.740 0.001 0.000 0.224 432 N C 1.330 176.829 175.510 -0.019 0.000 1.179 432 N CA 0.365 53.416 53.050 0.002 0.000 0.877 432 N CB 1.305 39.737 38.487 -0.093 0.000 1.072 432 N HN 0.547 nan 8.380 nan 0.000 0.519 433 V N -1.175 118.757 119.914 0.031 0.000 3.307 433 V HA 0.057 4.178 4.120 0.001 0.000 0.253 433 V C 2.107 178.185 176.094 -0.027 0.000 1.149 433 V CA 1.183 63.494 62.300 0.019 0.000 1.112 433 V CB -0.248 31.636 31.823 0.103 0.000 0.777 433 V HN 0.163 nan 8.190 nan 0.000 0.464 434 S N 2.229 117.950 115.700 0.035 0.000 2.442 434 S HA -0.126 4.344 4.470 0.001 0.000 0.236 434 S C 1.732 176.258 174.600 -0.123 0.000 1.007 434 S CA 1.293 59.504 58.200 0.018 0.000 0.965 434 S CB -1.097 62.147 63.200 0.074 0.000 0.773 434 S HN 1.119 nan 8.310 nan 0.000 0.504 435 S N 1.137 116.755 115.700 -0.138 0.000 2.942 435 S HA 0.450 4.921 4.470 0.001 0.000 0.244 435 S C 0.139 174.577 174.600 -0.271 0.000 1.011 435 S CA -0.568 57.540 58.200 -0.154 0.000 1.102 435 S CB -0.950 62.194 63.200 -0.094 0.000 0.812 435 S HN 0.511 nan 8.310 nan 0.000 0.486 436 L N 0.000 120.921 121.223 -0.504 0.000 2.949 436 L HA 0.000 4.341 4.340 0.001 0.000 0.249 436 L CA 0.000 54.418 54.840 -0.704 0.000 0.813 436 L CB 0.000 41.392 42.059 -1.113 0.000 0.961 436 L HN 0.000 nan 8.230 nan 0.000 0.502