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 1jr3_1_A DATA FIRST_RESID 3 DATA SEQUENCE YQVLARKWRP QTFADVVGQE HVLTALANGL SLGRIHHAYL FSGTRGVGKT DATA SEQUENCE SIARLLAKGL NCETGITATP CGVCDNCREI EQGRFVDLIE IDAASRTKVE DATA SEQUENCE DTRDLLDNVQ YAPARGRFKV YLIDEVHMLS RHSFNALLKT LEEPPEHVKF DATA SEQUENCE LLATTDPQKL PVTILSRCLQ FHLKALDVEQ IRHQLEHILN EEHIAHEPRA DATA SEQUENCE LQLLARAAEG SLRDALSLTD QAIASGDGQV STQAVSAMLG TLDDDQALSL DATA SEQUENCE VEAMVEANGE RVMALINEAA ARGIEWEALL VEMLGLLHRI AMVQLSPAAL DATA SEQUENCE GNDMAAIELR MRELARTIPP TDIQLYYQTL LIGRKELPYA PDRRMGVEMT DATA SEQUENCE LLRALAFHPR MPLPEP 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.913 175.900 0.021 0.000 1.272 3 Y CA 0.000 58.110 58.100 0.017 0.000 1.940 3 Y CB 0.000 38.467 38.460 0.011 0.000 1.050 4 Q N 2.925 122.832 119.800 0.179 0.000 2.598 4 Q HA 0.371 4.711 4.340 0.000 0.000 0.237 4 Q C -1.474 174.584 176.000 0.097 0.000 0.914 4 Q CA -0.854 55.004 55.803 0.092 0.000 1.065 4 Q CB 3.351 32.144 28.738 0.092 0.000 1.586 4 Q HN 0.628 nan 8.270 nan 0.000 0.484 5 V N 1.090 121.050 119.914 0.078 0.000 2.398 5 V HA 0.419 4.539 4.120 0.000 0.000 0.286 5 V C 1.356 177.515 176.094 0.109 0.000 1.026 5 V CA -0.653 61.694 62.300 0.078 0.000 0.868 5 V CB 0.883 32.737 31.823 0.052 0.000 0.982 5 V HN 0.938 nan 8.190 nan 0.000 0.443 6 L N 3.326 124.627 121.223 0.131 0.000 2.123 6 L HA -0.294 4.046 4.340 0.000 0.000 0.217 6 L C 2.782 179.769 176.870 0.195 0.000 1.081 6 L CA 2.282 57.245 54.840 0.205 0.000 0.772 6 L CB -0.830 41.226 42.059 -0.005 0.000 0.890 6 L HN 0.898 nan 8.230 nan 0.000 0.437 7 A N -0.511 122.365 122.820 0.092 0.000 2.131 7 A HA -0.220 4.100 4.320 0.000 0.000 0.220 7 A C 2.501 180.139 177.584 0.090 0.000 1.158 7 A CA 1.894 53.974 52.037 0.073 0.000 0.665 7 A CB -0.490 18.532 19.000 0.036 0.000 0.795 7 A HN 0.488 nan 8.150 nan 0.000 0.460 8 R N -0.930 119.628 120.500 0.096 0.000 2.191 8 R HA 0.124 4.464 4.340 0.000 0.000 0.196 8 R C 2.018 178.354 176.300 0.060 0.000 0.991 8 R CA 0.746 56.882 56.100 0.060 0.000 1.075 8 R CB -0.183 30.131 30.300 0.023 0.000 1.040 8 R HN 0.385 nan 8.270 nan 0.000 0.526 9 K N -0.397 120.067 120.400 0.108 0.000 2.283 9 K HA -0.115 4.205 4.320 0.000 0.000 0.202 9 K C 0.129 176.651 176.600 -0.129 0.000 1.048 9 K CA 1.101 57.393 56.287 0.008 0.000 0.948 9 K CB 0.138 32.682 32.500 0.074 0.000 0.742 9 K HN 0.213 nan 8.250 nan 0.000 0.458 10 W N 1.059 122.349 121.300 -0.016 0.000 2.846 10 W HA 0.303 4.963 4.660 -0.000 0.000 0.391 10 W C -0.203 176.308 176.519 -0.013 0.000 1.011 10 W CA -0.754 56.584 57.345 -0.011 0.000 1.832 10 W CB 0.319 29.775 29.460 -0.007 0.000 1.151 10 W HN -0.173 nan 8.180 nan 0.000 0.582 11 R N 2.633 123.214 120.500 0.135 0.000 2.483 11 R HA 0.056 4.396 4.340 0.000 0.000 0.329 11 R C -2.128 174.200 176.300 0.046 0.000 0.961 11 R CA -1.220 54.924 56.100 0.073 0.000 1.041 11 R CB 0.136 30.455 30.300 0.033 0.000 0.930 11 R HN -0.222 nan 8.270 nan 0.000 0.413 12 P HA -0.140 nan 4.420 nan 0.000 0.257 12 P C -0.322 176.986 177.300 0.014 0.000 1.162 12 P CA 0.476 63.600 63.100 0.040 0.000 0.762 12 P CB 0.672 32.394 31.700 0.036 0.000 0.753 13 Q N 0.791 120.590 119.800 -0.001 0.000 2.396 13 Q HA 0.100 4.440 4.340 0.000 0.000 0.220 13 Q C 0.449 176.435 176.000 -0.024 0.000 0.900 13 Q CA 1.141 56.928 55.803 -0.027 0.000 0.925 13 Q CB 0.387 29.094 28.738 -0.051 0.000 1.065 13 Q HN 0.431 nan 8.270 nan 0.000 0.535 14 T N -0.053 114.506 114.554 0.009 0.000 2.930 14 T HA 0.329 4.679 4.350 0.000 0.000 0.290 14 T C 0.309 175.102 174.700 0.154 0.000 1.052 14 T CA -0.640 61.476 62.100 0.026 0.000 1.017 14 T CB 0.906 69.780 68.868 0.009 0.000 1.137 14 T HN -0.158 nan 8.240 nan 0.000 0.511 15 F N 1.109 121.018 119.950 -0.068 0.000 2.451 15 F HA 0.088 4.615 4.527 0.000 0.000 0.299 15 F C 2.373 178.132 175.800 -0.068 0.000 1.101 15 F CA 0.207 58.159 58.000 -0.080 0.000 1.436 15 F CB -1.032 37.917 39.000 -0.084 0.000 1.074 15 F HN 0.719 nan 8.300 nan 0.000 0.553 16 A N -0.510 122.390 122.820 0.133 0.000 1.975 16 A HA -0.085 4.235 4.320 0.000 0.000 0.215 16 A C 1.953 179.557 177.584 0.033 0.000 1.170 16 A CA 1.282 53.351 52.037 0.053 0.000 0.656 16 A CB -0.468 18.556 19.000 0.040 0.000 0.821 16 A HN 0.170 nan 8.150 nan 0.000 0.449 17 D N 0.076 120.505 120.400 0.048 0.000 2.219 17 D HA -0.012 4.628 4.640 0.000 0.000 0.205 17 D C 0.826 177.151 176.300 0.042 0.000 0.970 17 D CA 0.481 54.514 54.000 0.055 0.000 0.851 17 D CB -0.396 40.440 40.800 0.060 0.000 0.943 17 D HN 0.206 nan 8.370 nan 0.000 0.488 18 V N 1.250 121.169 119.914 0.007 0.000 2.963 18 V HA 0.026 4.146 4.120 0.000 0.000 0.306 18 V C 0.707 176.773 176.094 -0.047 0.000 1.077 18 V CA -0.313 61.966 62.300 -0.034 0.000 1.124 18 V CB 1.664 33.426 31.823 -0.102 0.000 0.987 18 V HN -0.173 nan 8.190 nan 0.000 0.487 19 V N 2.754 122.638 119.914 -0.050 0.000 2.532 19 V HA 0.625 4.745 4.120 0.000 0.000 0.295 19 V C 1.431 177.480 176.094 -0.075 0.000 1.041 19 V CA 0.407 62.675 62.300 -0.053 0.000 0.926 19 V CB 0.635 32.438 31.823 -0.033 0.000 0.992 19 V HN 1.151 nan 8.190 nan 0.000 0.457 20 G N 2.974 111.726 108.800 -0.081 0.000 2.524 20 G HA2 -0.367 3.593 3.960 0.000 0.000 0.252 20 G HA3 -0.367 3.593 3.960 0.000 0.000 0.252 20 G C 0.605 175.442 174.900 -0.104 0.000 0.990 20 G CA 1.072 46.118 45.100 -0.089 0.000 0.653 20 G HN 0.776 nan 8.290 nan 0.000 0.576 21 Q N 0.728 120.459 119.800 -0.116 0.000 3.170 21 Q HA 0.304 4.644 4.340 0.000 0.000 0.346 21 Q C 1.479 177.374 176.000 -0.176 0.000 1.333 21 Q CA 0.018 55.749 55.803 -0.119 0.000 0.958 21 Q CB 0.038 28.709 28.738 -0.112 0.000 1.600 21 Q HN 0.733 nan 8.270 nan 0.000 0.482 22 E N 0.362 120.430 120.200 -0.219 0.000 2.068 22 E HA -0.260 4.090 4.350 0.000 0.000 0.207 22 E C 1.228 177.650 176.600 -0.297 0.000 1.032 22 E CA 1.313 57.527 56.400 -0.311 0.000 0.839 22 E CB -0.076 29.340 29.700 -0.474 0.000 0.758 22 E HN 0.601 nan 8.360 nan 0.000 0.457 23 H N -0.452 118.573 119.070 -0.074 0.000 2.518 23 H HA -0.035 4.521 4.556 0.000 0.000 0.289 23 H C 1.955 177.224 175.328 -0.100 0.000 1.051 23 H CA 0.816 56.833 56.048 -0.052 0.000 1.280 23 H CB 0.088 29.850 29.762 -0.000 0.000 1.380 23 H HN 0.058 nan 8.280 nan 0.000 0.566 24 V N 0.384 120.230 119.914 -0.112 0.000 3.307 24 V HA -0.048 4.072 4.120 0.000 0.000 0.253 24 V C 2.419 178.227 176.094 -0.476 0.000 1.149 24 V CA 0.411 62.497 62.300 -0.356 0.000 1.112 24 V CB 0.072 31.702 31.823 -0.321 0.000 0.777 24 V HN 0.221 nan 8.190 nan 0.000 0.464 25 L N -0.393 120.593 121.223 -0.396 0.000 2.127 25 L HA -0.063 4.277 4.340 0.000 0.000 0.203 25 L C 2.610 179.299 176.870 -0.302 0.000 1.080 25 L CA 1.536 56.063 54.840 -0.522 0.000 0.768 25 L CB -0.966 40.815 42.059 -0.465 0.000 0.924 25 L HN 0.291 nan 8.230 nan 0.000 0.444 26 T N 0.422 114.877 114.554 -0.165 0.000 2.684 26 T HA -0.214 4.136 4.350 0.000 0.000 0.267 26 T C 2.060 176.753 174.700 -0.011 0.000 1.036 26 T CA 1.456 63.529 62.100 -0.045 0.000 1.148 26 T CB -0.310 68.569 68.868 0.018 0.000 0.863 26 T HN 0.425 nan 8.240 nan 0.000 0.436 27 A N 1.388 124.185 122.820 -0.038 0.000 1.892 27 A HA -0.049 4.271 4.320 0.000 0.000 0.218 27 A C 2.302 179.900 177.584 0.024 0.000 1.188 27 A CA 1.422 53.476 52.037 0.029 0.000 0.631 27 A CB -0.940 18.074 19.000 0.022 0.000 0.822 27 A HN 0.500 nan 8.150 nan 0.000 0.447 28 L N -1.066 120.092 121.223 -0.108 0.000 2.291 28 L HA -0.107 4.233 4.340 0.000 0.000 0.214 28 L C 2.981 179.950 176.870 0.165 0.000 1.120 28 L CA 0.617 55.460 54.840 0.004 0.000 0.799 28 L CB -0.502 41.509 42.059 -0.080 0.000 0.925 28 L HN 0.476 nan 8.230 nan 0.000 0.446 29 A N 0.370 123.277 122.820 0.144 0.000 1.855 29 A HA -0.208 4.112 4.320 0.000 0.000 0.215 29 A C 2.050 179.702 177.584 0.113 0.000 1.191 29 A CA 1.760 53.900 52.037 0.173 0.000 0.613 29 A CB -0.525 18.553 19.000 0.129 0.000 0.829 29 A HN 0.352 nan 8.150 nan 0.000 0.442 30 N N 0.188 118.947 118.700 0.098 0.000 2.007 30 N HA -0.143 4.597 4.740 0.000 0.000 0.197 30 N C 1.852 177.426 175.510 0.106 0.000 1.050 30 N CA 1.932 55.039 53.050 0.095 0.000 0.856 30 N CB -0.969 37.579 38.487 0.102 0.000 1.050 30 N HN 0.420 nan 8.380 nan 0.000 0.423 31 G N 0.483 109.365 108.800 0.136 0.000 2.450 31 G HA2 -0.174 3.786 3.960 0.000 0.000 0.220 31 G HA3 -0.174 3.786 3.960 0.000 0.000 0.220 31 G C 1.497 176.467 174.900 0.117 0.000 1.130 31 G CA 0.436 45.630 45.100 0.156 0.000 0.760 31 G HN 0.303 nan 8.290 nan 0.000 0.557 32 L N 0.613 121.892 121.223 0.093 0.000 2.478 32 L HA 0.070 4.410 4.340 0.000 0.000 0.223 32 L C 2.651 179.545 176.870 0.041 0.000 1.140 32 L CA 0.392 55.261 54.840 0.048 0.000 0.842 32 L CB 0.153 42.217 42.059 0.008 0.000 0.953 32 L HN 0.196 nan 8.230 nan 0.000 0.452 33 S N -0.438 115.295 115.700 0.055 0.000 2.444 33 S HA 0.111 4.581 4.470 0.000 0.000 0.223 33 S C 1.682 176.313 174.600 0.052 0.000 1.054 33 S CA 0.267 58.494 58.200 0.045 0.000 0.947 33 S CB 0.059 63.286 63.200 0.046 0.000 0.850 33 S HN 0.246 nan 8.310 nan 0.000 0.527 34 L N 1.405 122.666 121.223 0.064 0.000 2.552 34 L HA 0.192 4.532 4.340 0.000 0.000 0.227 34 L C 1.583 178.495 176.870 0.069 0.000 1.146 34 L CA 0.527 55.405 54.840 0.064 0.000 0.858 34 L CB -1.002 41.100 42.059 0.071 0.000 0.969 34 L HN 0.562 nan 8.230 nan 0.000 0.451 35 G N 1.319 110.166 108.800 0.077 0.000 2.176 35 G HA2 -0.316 3.644 3.960 0.000 0.000 0.252 35 G HA3 -0.316 3.644 3.960 0.000 0.000 0.252 35 G C 0.333 175.283 174.900 0.084 0.000 1.024 35 G CA -0.106 45.045 45.100 0.085 0.000 0.755 35 G HN 0.446 nan 8.290 nan 0.000 0.507 36 R N -0.030 120.531 120.500 0.101 0.000 3.657 36 R HA 0.391 4.731 4.340 0.000 0.000 0.220 36 R C 0.486 176.885 176.300 0.165 0.000 1.548 36 R CA -0.386 55.779 56.100 0.108 0.000 1.465 36 R CB 0.350 30.738 30.300 0.147 0.000 1.330 36 R HN 0.512 nan 8.270 nan 0.000 0.707 37 I N 2.320 122.932 120.570 0.070 0.000 2.325 37 I HA 0.112 4.282 4.170 0.000 0.000 0.291 37 I C 0.120 176.151 176.117 -0.143 0.000 1.019 37 I CA -0.457 60.882 61.300 0.066 0.000 1.302 37 I CB 0.374 38.344 38.000 -0.050 0.000 1.401 37 I HN 0.450 nan 8.210 nan 0.000 0.485 38 H N 6.819 125.723 119.070 -0.278 0.000 2.525 38 H HA 0.196 4.752 4.556 0.000 0.000 0.339 38 H C 0.456 175.498 175.328 -0.478 0.000 1.109 38 H CA -0.435 55.335 56.048 -0.462 0.000 1.352 38 H CB 1.144 30.530 29.762 -0.626 0.000 1.461 38 H HN 0.664 nan 8.280 nan 0.000 0.533 39 H N 0.909 119.933 119.070 -0.076 0.000 2.521 39 H HA 0.089 4.645 4.556 0.000 0.000 0.286 39 H C 0.269 175.635 175.328 0.063 0.000 1.034 39 H CA 0.701 56.753 56.048 0.007 0.000 1.278 39 H CB 0.462 30.237 29.762 0.022 0.000 1.386 39 H HN 0.499 nan 8.280 nan 0.000 0.567 40 A N 0.396 123.220 122.820 0.006 0.000 2.429 40 A HA 0.488 4.808 4.320 0.000 0.000 0.289 40 A C -1.747 175.699 177.584 -0.230 0.000 1.043 40 A CA -0.556 51.485 52.037 0.007 0.000 0.722 40 A CB 0.896 19.900 19.000 0.005 0.000 1.243 40 A HN 0.162 nan 8.150 nan 0.000 0.415 41 Y N 1.788 122.071 120.300 -0.029 0.000 2.328 41 Y HA 0.524 5.074 4.550 0.000 0.000 0.333 41 Y C -0.203 175.446 175.900 -0.418 0.000 0.958 41 Y CA -0.569 57.383 58.100 -0.247 0.000 1.167 41 Y CB 2.032 40.348 38.460 -0.240 0.000 1.151 41 Y HN 0.676 nan 8.280 nan 0.000 0.470 42 L N 5.116 126.164 121.223 -0.291 0.000 2.272 42 L HA 0.555 4.895 4.340 0.000 0.000 0.289 42 L C -1.704 174.976 176.870 -0.316 0.000 1.032 42 L CA -0.244 54.447 54.840 -0.248 0.000 0.810 42 L CB 0.049 42.020 42.059 -0.147 0.000 1.205 42 L HN 0.355 nan 8.230 nan 0.000 0.422 43 F N 3.876 123.892 119.950 0.110 0.000 2.375 43 F HA 0.522 5.049 4.527 0.000 0.000 0.361 43 F C 0.509 176.295 175.800 -0.024 0.000 1.117 43 F CA -0.520 57.525 58.000 0.076 0.000 1.037 43 F CB 1.424 40.465 39.000 0.068 0.000 1.192 43 F HN 0.532 nan 8.300 nan 0.000 0.452 44 S N 1.729 117.452 115.700 0.038 0.000 2.681 44 S HA 1.009 5.479 4.470 0.000 0.000 0.299 44 S C -0.098 174.307 174.600 -0.326 0.000 1.113 44 S CA -0.309 57.779 58.200 -0.187 0.000 1.013 44 S CB 2.006 65.005 63.200 -0.334 0.000 1.076 44 S HN 1.348 nan 8.310 nan 0.000 0.534 45 G N 0.460 109.092 108.800 -0.280 0.000 2.326 45 G HA2 0.314 4.274 3.960 0.000 0.000 0.413 45 G HA3 0.314 4.274 3.960 0.000 0.000 0.413 45 G C -0.510 174.377 174.900 -0.022 0.000 1.444 45 G CA -0.501 44.519 45.100 -0.133 0.000 1.002 45 G HN 0.995 nan 8.290 nan 0.000 0.649 46 T N 0.115 114.688 114.554 0.030 0.000 2.716 46 T HA 0.381 4.731 4.350 0.000 0.000 0.335 46 T C 1.145 175.859 174.700 0.024 0.000 1.081 46 T CA 0.736 62.855 62.100 0.032 0.000 1.073 46 T CB 0.282 69.174 68.868 0.040 0.000 0.993 46 T HN 1.070 nan 8.240 nan 0.000 0.547 47 R N -0.251 120.266 120.500 0.028 0.000 2.582 47 R HA 0.518 4.858 4.340 0.000 0.000 0.271 47 R C 1.204 177.516 176.300 0.019 0.000 1.078 47 R CA 0.369 56.485 56.100 0.028 0.000 1.127 47 R CB -0.032 30.289 30.300 0.035 0.000 1.038 47 R HN 0.885 nan 8.270 nan 0.000 0.500 48 G N 0.545 109.353 108.800 0.013 0.000 2.308 48 G HA2 -0.246 3.714 3.960 0.000 0.000 0.221 48 G HA3 -0.246 3.714 3.960 0.000 0.000 0.221 48 G C -0.183 174.715 174.900 -0.003 0.000 1.032 48 G CA -0.046 45.057 45.100 0.006 0.000 0.623 48 G HN 0.589 nan 8.290 nan 0.000 0.506 49 V N 1.865 121.778 119.914 -0.003 0.000 2.775 49 V HA 0.534 4.654 4.120 0.000 0.000 0.299 49 V C 1.726 177.799 176.094 -0.034 0.000 1.062 49 V CA 0.538 62.829 62.300 -0.015 0.000 1.063 49 V CB 1.529 33.350 31.823 -0.004 0.000 0.994 49 V HN 0.922 nan 8.190 nan 0.000 0.483 50 G N 2.784 111.548 108.800 -0.060 0.000 3.180 50 G HA2 -0.012 3.948 3.960 0.000 0.000 0.246 50 G HA3 -0.012 3.948 3.960 0.000 0.000 0.246 50 G C 0.926 175.741 174.900 -0.140 0.000 0.939 50 G CA -0.167 44.880 45.100 -0.088 0.000 1.920 50 G HN 0.857 nan 8.290 nan 0.000 0.612 51 K N -0.006 120.335 120.400 -0.099 0.000 2.001 51 K HA -0.121 4.199 4.320 0.000 0.000 0.208 51 K C 2.938 179.456 176.600 -0.137 0.000 1.048 51 K CA 1.795 58.012 56.287 -0.118 0.000 0.932 51 K CB -0.274 32.233 32.500 0.013 0.000 0.715 51 K HN 0.472 nan 8.250 nan 0.000 0.437 52 T N -0.947 113.580 114.554 -0.045 0.000 2.737 52 T HA -0.136 4.214 4.350 0.000 0.000 0.265 52 T C 2.245 176.910 174.700 -0.059 0.000 1.038 52 T CA 1.703 63.795 62.100 -0.014 0.000 1.144 52 T CB -0.389 68.492 68.868 0.022 0.000 0.866 52 T HN 0.104 nan 8.240 nan 0.000 0.434 53 S N 0.972 116.630 115.700 -0.070 0.000 2.365 53 S HA -0.059 4.411 4.470 0.000 0.000 0.225 53 S C 2.020 176.556 174.600 -0.107 0.000 1.039 53 S CA 1.563 59.722 58.200 -0.068 0.000 1.033 53 S CB -0.700 62.465 63.200 -0.058 0.000 0.887 53 S HN 0.619 nan 8.310 nan 0.000 0.447 54 I N 1.209 121.650 120.570 -0.215 0.000 2.676 54 I HA -0.050 4.120 4.170 0.000 0.000 0.259 54 I C 2.590 178.521 176.117 -0.311 0.000 1.194 54 I CA 0.776 61.893 61.300 -0.304 0.000 1.473 54 I CB -0.441 37.247 38.000 -0.519 0.000 1.096 54 I HN 0.365 nan 8.210 nan 0.000 0.443 55 A N 0.972 123.606 122.820 -0.310 0.000 1.969 55 A HA -0.146 4.174 4.320 0.000 0.000 0.218 55 A C 2.382 179.959 177.584 -0.011 0.000 1.169 55 A CA 1.118 53.079 52.037 -0.126 0.000 0.635 55 A CB -0.378 18.639 19.000 0.029 0.000 0.810 55 A HN 0.287 nan 8.150 nan 0.000 0.445 56 R N -0.427 120.059 120.500 -0.023 0.000 2.066 56 R HA 0.029 4.369 4.340 0.000 0.000 0.232 56 R C 1.757 178.043 176.300 -0.022 0.000 1.131 56 R CA 1.366 57.457 56.100 -0.014 0.000 0.955 56 R CB -0.465 29.823 30.300 -0.019 0.000 0.851 56 R HN 0.488 nan 8.270 nan 0.000 0.432 57 L N 0.985 122.222 121.223 0.023 0.000 2.549 57 L HA -0.129 4.211 4.340 0.000 0.000 0.229 57 L C 2.072 178.909 176.870 -0.056 0.000 1.158 57 L CA 0.249 55.108 54.840 0.032 0.000 0.842 57 L CB -0.268 41.953 42.059 0.269 0.000 0.952 57 L HN 0.213 nan 8.230 nan 0.000 0.452 58 L N 0.073 121.320 121.223 0.040 0.000 2.130 58 L HA 0.108 4.448 4.340 0.000 0.000 0.200 58 L C 2.577 179.400 176.870 -0.079 0.000 1.075 58 L CA 1.641 56.483 54.840 0.004 0.000 0.768 58 L CB -0.458 41.627 42.059 0.042 0.000 0.933 58 L HN 0.051 nan 8.230 nan 0.000 0.451 59 A N -0.878 121.914 122.820 -0.046 0.000 2.121 59 A HA -0.186 4.134 4.320 0.000 0.000 0.218 59 A C 2.311 179.824 177.584 -0.119 0.000 1.154 59 A CA 1.510 53.515 52.037 -0.053 0.000 0.679 59 A CB -0.591 18.402 19.000 -0.013 0.000 0.795 59 A HN 0.465 nan 8.150 nan 0.000 0.458 60 K N -0.962 119.349 120.400 -0.148 0.000 2.365 60 K HA 0.006 4.326 4.320 0.000 0.000 0.197 60 K C 1.495 177.977 176.600 -0.196 0.000 1.042 60 K CA 0.818 56.991 56.287 -0.190 0.000 0.987 60 K CB -0.107 32.287 32.500 -0.177 0.000 0.779 60 K HN 0.424 nan 8.250 nan 0.000 0.484 61 G N -0.359 108.320 108.800 -0.203 0.000 3.062 61 G HA2 0.067 4.027 3.960 0.000 0.000 0.228 61 G HA3 0.067 4.027 3.960 0.000 0.000 0.228 61 G C 1.091 175.939 174.900 -0.087 0.000 1.094 61 G CA -0.294 44.691 45.100 -0.191 0.000 0.782 61 G HN 0.064 nan 8.290 nan 0.000 0.541 62 L N 0.169 121.359 121.223 -0.054 0.000 2.145 62 L HA 0.132 4.472 4.340 0.000 0.000 0.201 62 L C 1.993 179.022 176.870 0.266 0.000 1.075 62 L CA 0.657 55.531 54.840 0.057 0.000 0.773 62 L CB 0.019 42.030 42.059 -0.079 0.000 0.936 62 L HN 0.080 nan 8.230 nan 0.000 0.451 63 N N -0.946 117.830 118.700 0.127 0.000 2.325 63 N HA -0.007 4.733 4.740 0.000 0.000 0.182 63 N C 0.514 176.023 175.510 -0.001 0.000 1.088 63 N CA 0.019 53.131 53.050 0.103 0.000 0.879 63 N CB -0.158 38.357 38.487 0.047 0.000 0.983 63 N HN 0.197 nan 8.380 nan 0.000 0.471 64 C N 2.293 121.562 119.300 -0.052 0.000 2.502 64 C HA -0.048 4.412 4.460 0.000 0.000 0.404 64 C C 1.877 176.851 174.990 -0.026 0.000 1.409 64 C CA 0.010 58.987 59.018 -0.070 0.000 1.648 64 C CB -0.250 27.439 27.740 -0.086 0.000 2.571 64 C HN 0.461 nan 8.230 nan 0.000 0.601 65 E N 1.717 121.901 120.200 -0.026 0.000 2.268 65 E HA -0.118 4.232 4.350 0.000 0.000 0.195 65 E C 1.824 178.417 176.600 -0.012 0.000 0.995 65 E CA 1.518 57.912 56.400 -0.009 0.000 0.836 65 E CB 0.032 29.728 29.700 -0.006 0.000 0.763 65 E HN 0.864 nan 8.360 nan 0.000 0.491 66 T N 0.265 114.805 114.554 -0.023 0.000 3.113 66 T HA 0.131 4.481 4.350 0.000 0.000 0.263 66 T C 0.567 175.259 174.700 -0.013 0.000 1.143 66 T CA 0.618 62.705 62.100 -0.022 0.000 1.090 66 T CB 0.100 68.947 68.868 -0.035 0.000 0.922 66 T HN 0.426 nan 8.240 nan 0.000 0.521 67 G N 0.982 109.779 108.800 -0.004 0.000 2.479 67 G HA2 -0.082 3.878 3.960 0.000 0.000 0.686 67 G HA3 -0.082 3.878 3.960 0.000 0.000 0.686 67 G C -0.772 174.141 174.900 0.021 0.000 1.295 67 G CA -1.184 43.923 45.100 0.012 0.000 0.922 67 G HN 0.319 nan 8.290 nan 0.000 0.582 68 I N 2.175 122.778 120.570 0.054 0.000 2.576 68 I HA 0.231 4.401 4.170 0.000 0.000 0.288 68 I C 0.753 176.874 176.117 0.006 0.000 1.126 68 I CA 0.525 61.864 61.300 0.065 0.000 1.362 68 I CB -0.265 37.810 38.000 0.126 0.000 1.419 68 I HN 0.532 nan 8.210 nan 0.000 0.533 69 T N 3.716 118.243 114.554 -0.045 0.000 2.907 69 T HA 0.512 4.862 4.350 0.000 0.000 0.292 69 T C 0.683 175.286 174.700 -0.162 0.000 1.043 69 T CA -0.670 61.381 62.100 -0.082 0.000 1.003 69 T CB 2.214 71.027 68.868 -0.090 0.000 1.084 69 T HN 0.550 nan 8.240 nan 0.000 0.483 70 A N 0.667 123.398 122.820 -0.149 0.000 2.220 70 A HA 0.341 4.661 4.320 0.000 0.000 0.211 70 A C 0.986 178.395 177.584 -0.291 0.000 1.176 70 A CA 0.162 52.062 52.037 -0.228 0.000 0.834 70 A CB 0.002 18.980 19.000 -0.037 0.000 0.868 70 A HN 0.716 nan 8.150 nan 0.000 0.488 71 T N 2.581 117.022 114.554 -0.187 0.000 3.331 71 T HA 0.423 4.773 4.350 0.000 0.000 0.381 71 T C -2.888 171.724 174.700 -0.148 0.000 1.656 71 T CA -1.041 60.971 62.100 -0.148 0.000 1.453 71 T CB 0.955 69.778 68.868 -0.075 0.000 1.066 71 T HN 0.088 nan 8.240 nan 0.000 0.655 72 P HA 0.236 nan 4.420 nan 0.000 0.272 72 P C 0.088 177.320 177.300 -0.114 0.000 1.223 72 P CA -0.679 62.326 63.100 -0.159 0.000 0.784 72 P CB 0.330 31.909 31.700 -0.200 0.000 0.923 73 C N 0.437 119.681 119.300 -0.093 0.000 2.325 73 C HA 0.615 5.075 4.460 0.000 0.000 0.347 73 C C 1.769 176.713 174.990 -0.077 0.000 1.263 73 C CA -0.084 58.890 59.018 -0.073 0.000 1.806 73 C CB -0.011 27.694 27.740 -0.058 0.000 2.405 73 C HN 0.764 nan 8.230 nan 0.000 0.537 74 G N 2.244 111.001 108.800 -0.071 0.000 2.708 74 G HA2 0.080 4.040 3.960 0.000 0.000 0.210 74 G HA3 0.080 4.040 3.960 0.000 0.000 0.210 74 G C 0.962 175.824 174.900 -0.063 0.000 1.141 74 G CA 1.134 46.191 45.100 -0.072 0.000 0.788 74 G HN 1.360 nan 8.290 nan 0.000 0.531 75 V N -1.362 118.519 119.914 -0.055 0.000 3.085 75 V HA 0.129 4.249 4.120 0.000 0.000 0.245 75 V C 1.857 177.927 176.094 -0.040 0.000 1.114 75 V CA -0.187 62.086 62.300 -0.044 0.000 1.108 75 V CB -1.150 30.651 31.823 -0.037 0.000 0.798 75 V HN 0.405 nan 8.190 nan 0.000 0.471 76 C N 2.226 121.500 119.300 -0.044 0.000 2.611 76 C HA 0.099 4.559 4.460 0.000 0.000 0.416 76 C C 1.740 176.709 174.990 -0.036 0.000 1.366 76 C CA 0.285 59.281 59.018 -0.036 0.000 1.761 76 C CB -0.540 27.176 27.740 -0.041 0.000 2.619 76 C HN 0.640 nan 8.230 nan 0.000 0.606 77 D N 2.717 123.109 120.400 -0.013 0.000 2.244 77 D HA -0.182 4.458 4.640 0.000 0.000 0.197 77 D C 1.571 177.874 176.300 0.005 0.000 1.006 77 D CA 2.005 56.010 54.000 0.009 0.000 0.888 77 D CB -0.050 40.771 40.800 0.036 0.000 0.912 77 D HN 0.748 nan 8.370 nan 0.000 0.452 78 N N 0.156 118.835 118.700 -0.035 0.000 2.142 78 N HA -0.094 4.646 4.740 0.000 0.000 0.186 78 N C 2.050 177.395 175.510 -0.275 0.000 1.023 78 N CA 0.516 53.459 53.050 -0.179 0.000 0.852 78 N CB -0.763 37.604 38.487 -0.200 0.000 0.998 78 N HN 0.248 nan 8.380 nan 0.000 0.424 79 C N 1.051 120.246 119.300 -0.175 0.000 2.432 79 C HA -0.014 4.446 4.460 0.000 0.000 0.277 79 C C 2.698 177.615 174.990 -0.122 0.000 1.249 79 C CA 0.404 59.327 59.018 -0.158 0.000 1.725 79 C CB -0.821 26.848 27.740 -0.118 0.000 2.028 79 C HN 0.473 nan 8.230 nan 0.000 0.477 80 R N 0.751 121.202 120.500 -0.082 0.000 2.073 80 R HA -0.127 4.213 4.340 0.000 0.000 0.234 80 R C 2.090 178.367 176.300 -0.038 0.000 1.134 80 R CA 1.469 57.537 56.100 -0.053 0.000 0.952 80 R CB -0.393 29.887 30.300 -0.033 0.000 0.850 80 R HN 0.655 nan 8.270 nan 0.000 0.433 81 E N 0.406 120.596 120.200 -0.017 0.000 2.204 81 E HA -0.163 4.187 4.350 0.000 0.000 0.195 81 E C 1.939 178.552 176.600 0.022 0.000 0.990 81 E CA 0.906 57.334 56.400 0.047 0.000 0.821 81 E CB -0.050 29.761 29.700 0.185 0.000 0.750 81 E HN 0.387 nan 8.360 nan 0.000 0.477 82 I N 0.689 121.198 120.570 -0.101 0.000 2.286 82 I HA -0.181 3.989 4.170 0.000 0.000 0.245 82 I C 2.311 178.396 176.117 -0.053 0.000 1.104 82 I CA 0.826 62.056 61.300 -0.116 0.000 1.397 82 I CB 0.052 37.907 38.000 -0.243 0.000 1.072 82 I HN -0.021 nan 8.210 nan 0.000 0.417 83 E N 1.004 121.168 120.200 -0.059 0.000 2.478 83 E HA -0.149 4.201 4.350 0.000 0.000 0.198 83 E C 1.317 177.904 176.600 -0.021 0.000 1.046 83 E CA 0.832 57.207 56.400 -0.041 0.000 0.870 83 E CB 0.045 29.715 29.700 -0.051 0.000 0.818 83 E HN 0.479 nan 8.360 nan 0.000 0.527 84 Q N -1.531 118.264 119.800 -0.009 0.000 2.172 84 Q HA 0.265 4.605 4.340 0.000 0.000 0.217 84 Q C 0.980 176.991 176.000 0.019 0.000 0.832 84 Q CA 0.204 56.009 55.803 0.002 0.000 1.010 84 Q CB 1.055 29.795 28.738 0.003 0.000 1.133 84 Q HN 0.332 nan 8.270 nan 0.000 0.489 85 G N 2.256 111.071 108.800 0.024 0.000 2.480 85 G HA2 -0.361 3.599 3.960 0.000 0.000 0.246 85 G HA3 -0.361 3.599 3.960 0.000 0.000 0.246 85 G C 0.466 175.403 174.900 0.062 0.000 1.073 85 G CA 0.133 45.256 45.100 0.038 0.000 0.643 85 G HN 0.318 nan 8.290 nan 0.000 0.525 86 R N 0.020 120.562 120.500 0.069 0.000 2.235 86 R HA 0.592 4.932 4.340 0.000 0.000 0.338 86 R C -1.198 175.211 176.300 0.181 0.000 1.087 86 R CA -0.352 55.801 56.100 0.089 0.000 0.948 86 R CB 0.350 30.684 30.300 0.056 0.000 1.099 86 R HN 0.185 nan 8.270 nan 0.000 0.483 87 F N 2.065 122.002 119.950 -0.021 0.000 2.591 87 F HA 0.168 4.695 4.527 0.000 0.000 0.309 87 F C 0.884 176.664 175.800 -0.033 0.000 1.098 87 F CA -1.125 56.860 58.000 -0.025 0.000 0.937 87 F CB 1.348 40.334 39.000 -0.022 0.000 1.250 87 F HN 0.109 nan 8.300 nan 0.000 0.447 88 V N 2.760 122.198 119.914 -0.794 0.000 2.250 88 V HA -0.301 3.819 4.120 0.000 0.000 0.250 88 V C 1.445 177.254 176.094 -0.474 0.000 1.060 88 V CA 2.622 64.566 62.300 -0.593 0.000 1.030 88 V CB -0.383 31.058 31.823 -0.636 0.000 0.643 88 V HN 0.742 nan 8.190 nan 0.000 0.445 89 D N -0.632 119.386 120.400 -0.636 0.000 2.305 89 D HA 0.077 4.717 4.640 0.000 0.000 0.206 89 D C 0.960 177.208 176.300 -0.088 0.000 0.974 89 D CA 0.097 53.957 54.000 -0.234 0.000 0.871 89 D CB 0.093 40.852 40.800 -0.069 0.000 0.947 89 D HN 0.327 nan 8.370 nan 0.000 0.516 90 L N 2.382 123.679 121.223 0.124 0.000 2.462 90 L HA 0.192 4.532 4.340 0.000 0.000 0.283 90 L C -0.326 176.529 176.870 -0.026 0.000 1.166 90 L CA 0.022 54.922 54.840 0.099 0.000 0.964 90 L CB -0.610 41.590 42.059 0.234 0.000 1.294 90 L HN -0.131 nan 8.230 nan 0.000 0.449 91 I N 4.673 125.134 120.570 -0.182 0.000 2.308 91 I HA 0.150 4.320 4.170 0.000 0.000 0.293 91 I C 0.163 176.282 176.117 0.004 0.000 1.078 91 I CA -0.173 61.043 61.300 -0.140 0.000 1.292 91 I CB 0.309 38.122 38.000 -0.310 0.000 1.423 91 I HN 0.529 nan 8.210 nan 0.000 0.493 92 E N 7.781 128.011 120.200 0.050 0.000 2.046 92 E HA 0.454 4.804 4.350 0.000 0.000 0.279 92 E C -0.670 175.993 176.600 0.105 0.000 0.989 92 E CA -0.296 56.158 56.400 0.089 0.000 0.798 92 E CB 1.344 31.088 29.700 0.073 0.000 1.086 92 E HN 0.511 nan 8.360 nan 0.000 0.399 93 I N 2.306 122.960 120.570 0.141 0.000 2.354 93 I HA 0.177 4.347 4.170 0.000 0.000 0.292 93 I C -0.233 175.957 176.117 0.121 0.000 0.989 93 I CA -0.797 60.585 61.300 0.136 0.000 1.188 93 I CB 1.378 39.483 38.000 0.174 0.000 1.342 93 I HN 0.357 nan 8.210 nan 0.000 0.457 94 D N 5.245 125.704 120.400 0.097 0.000 2.412 94 D HA 0.366 5.006 4.640 0.000 0.000 0.224 94 D C 0.671 177.019 176.300 0.079 0.000 1.093 94 D CA -0.337 53.715 54.000 0.087 0.000 0.850 94 D CB 1.920 42.762 40.800 0.070 0.000 1.046 94 D HN 0.634 nan 8.370 nan 0.000 0.507 95 A N 3.170 126.039 122.820 0.083 0.000 2.239 95 A HA 0.183 4.503 4.320 0.000 0.000 0.209 95 A C 1.638 179.247 177.584 0.040 0.000 1.171 95 A CA 1.061 53.139 52.037 0.069 0.000 0.768 95 A CB -0.057 18.989 19.000 0.076 0.000 0.790 95 A HN 0.535 nan 8.150 nan 0.000 0.478 96 A N 0.001 122.844 122.820 0.039 0.000 2.267 96 A HA 0.346 4.666 4.320 0.000 0.000 0.213 96 A C 1.315 178.916 177.584 0.028 0.000 1.192 96 A CA 0.612 52.663 52.037 0.023 0.000 0.851 96 A CB -0.395 18.622 19.000 0.028 0.000 0.881 96 A HN 0.653 nan 8.150 nan 0.000 0.494 97 S N -0.592 115.130 115.700 0.038 0.000 2.565 97 S HA 0.423 4.893 4.470 0.000 0.000 0.276 97 S C 0.548 175.169 174.600 0.034 0.000 1.326 97 S CA -0.570 57.651 58.200 0.036 0.000 1.045 97 S CB 1.153 64.378 63.200 0.041 0.000 0.918 97 S HN 0.422 nan 8.310 nan 0.000 0.505 98 R N 0.694 121.211 120.500 0.029 0.000 2.265 98 R HA 0.131 4.471 4.340 0.000 0.000 0.194 98 R C 0.139 176.455 176.300 0.027 0.000 0.931 98 R CA 0.367 56.483 56.100 0.027 0.000 1.032 98 R CB 0.162 30.475 30.300 0.022 0.000 0.980 98 R HN 0.640 nan 8.270 nan 0.000 0.497 99 T N 1.194 115.765 114.554 0.027 0.000 3.448 99 T HA 0.212 4.562 4.350 0.000 0.000 0.271 99 T C -0.361 174.356 174.700 0.029 0.000 1.002 99 T CA -0.319 61.797 62.100 0.025 0.000 0.995 99 T CB 0.429 69.309 68.868 0.021 0.000 1.153 99 T HN -0.000 nan 8.240 nan 0.000 0.510 100 K N 0.639 121.060 120.400 0.035 0.000 2.380 100 K HA 0.237 4.557 4.320 0.000 0.000 0.267 100 K C 1.284 177.905 176.600 0.035 0.000 0.990 100 K CA -0.441 55.870 56.287 0.040 0.000 0.946 100 K CB 0.781 33.312 32.500 0.051 0.000 0.937 100 K HN -0.097 nan 8.250 nan 0.000 0.491 101 V N 1.547 121.482 119.914 0.035 0.000 2.231 101 V HA -0.258 3.862 4.120 0.000 0.000 0.248 101 V C 0.417 176.531 176.094 0.033 0.000 1.054 101 V CA 1.738 64.057 62.300 0.031 0.000 1.015 101 V CB -0.394 31.447 31.823 0.031 0.000 0.638 101 V HN 0.762 nan 8.190 nan 0.000 0.444 102 E N -0.193 120.032 120.200 0.042 0.000 2.265 102 E HA 0.268 4.618 4.350 0.000 0.000 0.262 102 E C -1.413 175.222 176.600 0.058 0.000 0.889 102 E CA -0.648 55.780 56.400 0.046 0.000 0.789 102 E CB 1.376 31.106 29.700 0.050 0.000 1.221 102 E HN 0.305 nan 8.360 nan 0.000 0.414 103 D N 1.701 122.133 120.400 0.054 0.000 2.419 103 D HA -0.046 4.594 4.640 0.000 0.000 0.236 103 D C 1.157 177.505 176.300 0.081 0.000 1.165 103 D CA 0.377 54.417 54.000 0.066 0.000 0.882 103 D CB 0.755 41.591 40.800 0.060 0.000 1.201 103 D HN 0.371 nan 8.370 nan 0.000 0.443 104 T N 1.161 115.772 114.554 0.095 0.000 2.824 104 T HA -0.347 4.003 4.350 0.000 0.000 0.259 104 T C 1.766 176.520 174.700 0.090 0.000 1.024 104 T CA 2.020 64.182 62.100 0.104 0.000 1.164 104 T CB -0.158 68.768 68.868 0.098 0.000 0.836 104 T HN 0.436 nan 8.240 nan 0.000 0.485 105 R N 0.515 121.064 120.500 0.082 0.000 2.120 105 R HA -0.119 4.221 4.340 0.000 0.000 0.234 105 R C 2.046 178.386 176.300 0.066 0.000 1.123 105 R CA 1.642 57.784 56.100 0.070 0.000 0.975 105 R CB -0.113 30.232 30.300 0.074 0.000 0.866 105 R HN 0.389 nan 8.270 nan 0.000 0.446 106 D N 0.173 120.617 120.400 0.072 0.000 2.120 106 D HA -0.095 4.545 4.640 0.000 0.000 0.202 106 D C 1.891 178.254 176.300 0.104 0.000 0.972 106 D CA 0.973 55.019 54.000 0.077 0.000 0.837 106 D CB -0.003 40.837 40.800 0.068 0.000 0.989 106 D HN 0.246 nan 8.370 nan 0.000 0.469 107 L N 0.455 121.754 121.223 0.127 0.000 2.201 107 L HA -0.046 4.294 4.340 0.000 0.000 0.212 107 L C 2.316 179.310 176.870 0.207 0.000 1.105 107 L CA 0.389 55.341 54.840 0.186 0.000 0.775 107 L CB -0.132 42.059 42.059 0.220 0.000 0.913 107 L HN 0.010 nan 8.230 nan 0.000 0.440 108 L N -0.651 120.643 121.223 0.118 0.000 2.418 108 L HA -0.115 4.225 4.340 0.000 0.000 0.218 108 L C 1.935 178.830 176.870 0.041 0.000 1.125 108 L CA 0.476 55.338 54.840 0.036 0.000 0.835 108 L CB -0.320 41.743 42.059 0.006 0.000 0.953 108 L HN 0.234 nan 8.230 nan 0.000 0.454 109 D N 0.412 120.853 120.400 0.068 0.000 2.144 109 D HA -0.193 4.447 4.640 0.000 0.000 0.199 109 D C 1.878 178.213 176.300 0.058 0.000 0.984 109 D CA 1.153 55.184 54.000 0.052 0.000 0.834 109 D CB 0.210 41.049 40.800 0.066 0.000 0.955 109 D HN 0.152 nan 8.370 nan 0.000 0.465 110 N N -0.106 118.681 118.700 0.146 0.000 2.270 110 N HA -0.110 4.630 4.740 0.000 0.000 0.181 110 N C 1.996 177.618 175.510 0.186 0.000 1.016 110 N CA 0.628 53.829 53.050 0.253 0.000 0.870 110 N CB -0.371 38.337 38.487 0.367 0.000 0.979 110 N HN 0.119 nan 8.380 nan 0.000 0.431 111 V N 2.195 122.203 119.914 0.156 0.000 2.322 111 V HA -0.362 3.758 4.120 0.000 0.000 0.258 111 V C 2.303 178.480 176.094 0.137 0.000 1.102 111 V CA 2.017 64.383 62.300 0.110 0.000 1.106 111 V CB -0.678 31.119 31.823 -0.043 0.000 0.784 111 V HN 0.421 nan 8.190 nan 0.000 0.461 112 Q N -1.782 118.033 119.800 0.025 0.000 2.368 112 Q HA -0.109 4.231 4.340 0.000 0.000 0.210 112 Q C 0.783 176.872 176.000 0.149 0.000 0.982 112 Q CA 0.943 56.768 55.803 0.037 0.000 0.884 112 Q CB -0.290 28.373 28.738 -0.125 0.000 0.933 112 Q HN 0.730 nan 8.270 nan 0.000 0.460 113 Y N 0.130 120.548 120.300 0.197 0.000 2.357 113 Y HA 0.182 4.732 4.550 0.000 0.000 0.340 113 Y C 0.887 176.819 175.900 0.053 0.000 1.260 113 Y CA -0.690 57.472 58.100 0.104 0.000 1.425 113 Y CB 0.532 39.036 38.460 0.072 0.000 1.326 113 Y HN -0.018 nan 8.280 nan 0.000 0.580 114 A N 3.767 126.665 122.820 0.130 0.000 2.371 114 A HA 0.333 4.653 4.320 0.000 0.000 0.257 114 A C -2.393 175.181 177.584 -0.016 0.000 1.089 114 A CA -1.541 50.440 52.037 -0.093 0.000 0.794 114 A CB -0.356 18.571 19.000 -0.122 0.000 1.029 114 A HN 0.473 nan 8.150 nan 0.000 0.488 115 P HA 0.268 nan 4.420 nan 0.000 0.281 115 P C 0.486 177.749 177.300 -0.061 0.000 1.286 115 P CA 0.190 63.282 63.100 -0.014 0.000 0.772 115 P CB 1.336 33.056 31.700 0.033 0.000 0.862 116 A N 4.689 127.449 122.820 -0.099 0.000 1.972 116 A HA -0.150 4.170 4.320 0.000 0.000 0.219 116 A C 2.200 179.723 177.584 -0.102 0.000 1.169 116 A CA 1.263 53.232 52.037 -0.113 0.000 0.635 116 A CB -0.382 18.532 19.000 -0.143 0.000 0.810 116 A HN 0.507 nan 8.150 nan 0.000 0.446 117 R N -2.165 118.265 120.500 -0.117 0.000 2.493 117 R HA 0.165 4.505 4.340 0.000 0.000 0.177 117 R C 1.251 177.621 176.300 0.116 0.000 0.861 117 R CA 0.586 56.672 56.100 -0.024 0.000 1.083 117 R CB 0.169 30.428 30.300 -0.069 0.000 1.328 117 R HN 0.442 nan 8.270 nan 0.000 0.615 118 G N -0.010 108.931 108.800 0.235 0.000 2.580 118 G HA2 0.134 4.094 3.960 0.000 0.000 0.278 118 G HA3 0.134 4.094 3.960 0.000 0.000 0.278 118 G C 0.343 175.310 174.900 0.112 0.000 1.212 118 G CA -0.402 44.882 45.100 0.307 0.000 0.939 118 G HN 0.178 nan 8.290 nan 0.000 0.513 119 R N -0.932 119.597 120.500 0.049 0.000 2.090 119 R HA 0.079 4.419 4.340 0.000 0.000 0.228 119 R C -0.069 176.003 176.300 -0.380 0.000 1.110 119 R CA 0.782 56.752 56.100 -0.217 0.000 0.973 119 R CB -0.035 30.067 30.300 -0.330 0.000 0.869 119 R HN 0.403 nan 8.270 nan 0.000 0.440 120 F N 0.115 120.137 119.950 0.121 0.000 2.538 120 F HA 0.360 4.887 4.527 0.000 0.000 0.325 120 F C 0.297 176.175 175.800 0.129 0.000 1.066 120 F CA -1.098 56.978 58.000 0.127 0.000 0.946 120 F CB 1.409 40.470 39.000 0.102 0.000 1.199 120 F HN -0.371 nan 8.300 nan 0.000 0.473 121 K N 2.410 122.997 120.400 0.311 0.000 2.360 121 K HA 0.447 4.767 4.320 0.000 0.000 0.235 121 K C -1.243 175.401 176.600 0.073 0.000 1.077 121 K CA -0.255 56.127 56.287 0.158 0.000 1.035 121 K CB 0.291 32.917 32.500 0.209 0.000 1.623 121 K HN 0.492 nan 8.250 nan 0.000 0.462 122 V N 3.631 123.583 119.914 0.063 0.000 2.655 122 V HA -0.024 4.096 4.120 0.000 0.000 0.300 122 V C -0.279 175.732 176.094 -0.139 0.000 1.044 122 V CA 0.140 62.461 62.300 0.034 0.000 1.095 122 V CB 0.099 31.977 31.823 0.092 0.000 0.952 122 V HN 0.478 nan 8.190 nan 0.000 0.485 123 Y N 4.296 124.577 120.300 -0.031 0.000 2.805 123 Y HA 0.435 4.984 4.550 0.000 0.000 0.339 123 Y C -0.090 175.907 175.900 0.161 0.000 1.012 123 Y CA -0.787 57.332 58.100 0.032 0.000 1.262 123 Y CB 1.395 39.803 38.460 -0.087 0.000 1.100 123 Y HN 0.579 nan 8.280 nan 0.000 0.559 124 L N 5.220 126.580 121.223 0.227 0.000 2.385 124 L HA 0.429 4.769 4.340 0.000 0.000 0.281 124 L C -0.826 176.181 176.870 0.228 0.000 1.106 124 L CA 0.108 55.081 54.840 0.221 0.000 0.856 124 L CB -0.383 41.767 42.059 0.152 0.000 1.186 124 L HN 0.381 nan 8.230 nan 0.000 0.453 125 I N 4.671 125.388 120.570 0.245 0.000 2.410 125 I HA 0.294 4.464 4.170 0.000 0.000 0.286 125 I C -0.594 175.627 176.117 0.174 0.000 1.009 125 I CA -0.710 60.714 61.300 0.206 0.000 1.111 125 I CB 1.539 39.662 38.000 0.206 0.000 1.262 125 I HN 0.489 nan 8.210 nan 0.000 0.443 126 D N 7.297 127.786 120.400 0.148 0.000 2.295 126 D HA 0.127 4.767 4.640 0.000 0.000 0.248 126 D C -0.110 176.279 176.300 0.149 0.000 1.154 126 D CA 0.303 54.386 54.000 0.139 0.000 0.857 126 D CB 0.749 41.616 40.800 0.112 0.000 1.117 126 D HN 0.555 nan 8.370 nan 0.000 0.468 127 E N 1.877 122.186 120.200 0.183 0.000 2.613 127 E HA -0.151 4.199 4.350 0.000 0.000 0.161 127 E C 1.116 177.878 176.600 0.270 0.000 1.664 127 E CA 0.262 56.833 56.400 0.286 0.000 0.661 127 E CB -0.979 28.900 29.700 0.298 0.000 1.098 127 E HN 0.407 nan 8.360 nan 0.000 0.364 128 V N -0.517 119.560 119.914 0.271 0.000 3.041 128 V HA -0.179 3.941 4.120 0.000 0.000 0.260 128 V C 2.058 178.336 176.094 0.307 0.000 1.105 128 V CA 1.678 64.101 62.300 0.204 0.000 1.125 128 V CB -0.522 31.353 31.823 0.087 0.000 0.730 128 V HN 0.708 nan 8.190 nan 0.000 0.479 129 H N -0.570 118.594 119.070 0.156 0.000 2.563 129 H HA 0.182 4.738 4.556 0.000 0.000 0.272 129 H C 1.313 176.703 175.328 0.102 0.000 1.005 129 H CA 0.686 56.831 56.048 0.162 0.000 1.171 129 H CB -0.190 29.627 29.762 0.091 0.000 1.351 129 H HN 0.497 nan 8.280 nan 0.000 0.602 130 M N 0.743 120.205 119.600 -0.230 0.000 2.496 130 M HA 0.282 4.762 4.480 0.000 0.000 0.330 130 M C -0.461 175.824 176.300 -0.025 0.000 1.133 130 M CA -0.082 55.084 55.300 -0.222 0.000 0.964 130 M CB 0.737 33.152 32.600 -0.308 0.000 1.401 130 M HN 0.017 nan 8.290 nan 0.000 0.520 131 L N 0.805 122.089 121.223 0.101 0.000 2.397 131 L HA 0.272 4.612 4.340 0.000 0.000 0.271 131 L C 0.700 177.650 176.870 0.132 0.000 1.148 131 L CA -0.577 54.358 54.840 0.159 0.000 0.825 131 L CB 1.044 43.259 42.059 0.260 0.000 1.117 131 L HN 0.307 nan 8.230 nan 0.000 0.456 132 S N 2.278 118.050 115.700 0.120 0.000 2.552 132 S HA 0.052 4.522 4.470 0.000 0.000 0.289 132 S C 1.060 175.667 174.600 0.013 0.000 1.304 132 S CA -0.488 57.767 58.200 0.091 0.000 1.063 132 S CB 0.627 63.992 63.200 0.275 0.000 0.848 132 S HN 0.618 nan 8.310 nan 0.000 0.499 133 R N 1.380 121.741 120.500 -0.231 0.000 2.211 133 R HA -0.177 4.163 4.340 0.000 0.000 0.240 133 R C 1.575 177.758 176.300 -0.195 0.000 1.144 133 R CA 2.139 58.071 56.100 -0.280 0.000 0.992 133 R CB -0.681 29.382 30.300 -0.395 0.000 0.869 133 R HN 0.837 nan 8.270 nan 0.000 0.462 134 H N -0.446 118.662 119.070 0.063 0.000 2.307 134 H HA -0.010 4.546 4.556 0.000 0.000 0.303 134 H C 2.284 177.656 175.328 0.074 0.000 1.073 134 H CA 1.520 57.602 56.048 0.058 0.000 1.338 134 H CB -0.106 29.679 29.762 0.039 0.000 1.389 134 H HN 0.200 nan 8.280 nan 0.000 0.503 135 S N -0.105 115.725 115.700 0.216 0.000 2.562 135 S HA -0.067 4.403 4.470 0.000 0.000 0.221 135 S C 1.745 176.408 174.600 0.106 0.000 0.975 135 S CA 0.030 58.312 58.200 0.137 0.000 0.918 135 S CB -0.422 62.853 63.200 0.126 0.000 0.772 135 S HN 0.361 nan 8.310 nan 0.000 0.531 136 F N 3.074 123.015 119.950 -0.015 0.000 2.187 136 F HA 0.130 4.657 4.527 0.000 0.000 0.295 136 F C 2.144 177.910 175.800 -0.058 0.000 1.091 136 F CA 1.084 59.057 58.000 -0.046 0.000 1.308 136 F CB -0.221 38.745 39.000 -0.057 0.000 1.030 136 F HN 0.171 nan 8.300 nan 0.000 0.487 137 N N 0.682 119.497 118.700 0.192 0.000 2.244 137 N HA -0.133 4.607 4.740 0.000 0.000 0.183 137 N C 1.963 177.468 175.510 -0.009 0.000 1.016 137 N CA 1.154 54.260 53.050 0.093 0.000 0.866 137 N CB -0.458 38.079 38.487 0.084 0.000 0.980 137 N HN 0.383 nan 8.380 nan 0.000 0.430 138 A N 1.068 123.880 122.820 -0.013 0.000 1.933 138 A HA -0.099 4.221 4.320 0.000 0.000 0.218 138 A C 2.233 179.747 177.584 -0.116 0.000 1.175 138 A CA 0.876 52.889 52.037 -0.040 0.000 0.628 138 A CB -0.554 18.441 19.000 -0.007 0.000 0.814 138 A HN 0.202 nan 8.150 nan 0.000 0.444 139 L N -0.406 120.691 121.223 -0.211 0.000 2.093 139 L HA -0.037 4.303 4.340 0.000 0.000 0.208 139 L C 2.298 178.950 176.870 -0.363 0.000 1.085 139 L CA 1.375 55.988 54.840 -0.379 0.000 0.755 139 L CB -0.428 41.304 42.059 -0.545 0.000 0.904 139 L HN 0.406 nan 8.230 nan 0.000 0.435 140 L N -0.582 120.471 121.223 -0.285 0.000 1.970 140 L HA -0.287 4.053 4.340 0.000 0.000 0.212 140 L C 2.571 179.358 176.870 -0.138 0.000 1.071 140 L CA 1.791 56.514 54.840 -0.194 0.000 0.751 140 L CB -0.605 41.402 42.059 -0.086 0.000 0.889 140 L HN 0.216 nan 8.230 nan 0.000 0.432 141 K N -0.831 119.510 120.400 -0.098 0.000 2.152 141 K HA -0.145 4.175 4.320 0.000 0.000 0.206 141 K C 1.888 178.444 176.600 -0.074 0.000 1.048 141 K CA 1.778 58.023 56.287 -0.069 0.000 0.933 141 K CB -0.277 32.196 32.500 -0.045 0.000 0.721 141 K HN 0.374 nan 8.250 nan 0.000 0.447 142 T N 1.224 115.722 114.554 -0.093 0.000 3.043 142 T HA 0.069 4.419 4.350 0.000 0.000 0.263 142 T C 1.763 176.434 174.700 -0.048 0.000 1.094 142 T CA 0.445 62.515 62.100 -0.050 0.000 1.127 142 T CB 0.101 68.969 68.868 0.001 0.000 0.905 142 T HN 0.092 nan 8.240 nan 0.000 0.490 143 L N 0.676 121.817 121.223 -0.136 0.000 2.131 143 L HA 0.035 4.375 4.340 0.000 0.000 0.206 143 L C 2.755 179.562 176.870 -0.105 0.000 1.087 143 L CA 1.045 55.805 54.840 -0.134 0.000 0.767 143 L CB -0.265 41.655 42.059 -0.231 0.000 0.917 143 L HN 0.203 nan 8.230 nan 0.000 0.441 144 E N 1.125 121.264 120.200 -0.101 0.000 2.085 144 E HA -0.182 4.168 4.350 0.000 0.000 0.194 144 E C 0.170 176.711 176.600 -0.097 0.000 0.994 144 E CA 1.281 57.628 56.400 -0.087 0.000 0.801 144 E CB 0.245 29.903 29.700 -0.070 0.000 0.743 144 E HN 0.354 nan 8.360 nan 0.000 0.453 145 E N 0.636 120.780 120.200 -0.093 0.000 2.761 145 E HA 0.242 4.592 4.350 0.000 0.000 0.266 145 E C -2.516 174.027 176.600 -0.095 0.000 1.097 145 E CA -1.703 54.635 56.400 -0.103 0.000 0.773 145 E CB 1.875 31.531 29.700 -0.073 0.000 1.453 145 E HN 0.207 nan 8.360 nan 0.000 0.388 146 P HA 0.357 nan 4.420 nan 0.000 0.296 146 P C -2.547 174.689 177.300 -0.106 0.000 1.301 146 P CA -1.742 61.311 63.100 -0.079 0.000 0.862 146 P CB 1.245 32.938 31.700 -0.013 0.000 1.046 147 P HA 0.158 nan 4.420 nan 0.000 0.272 147 P C 0.543 177.785 177.300 -0.096 0.000 1.240 147 P CA -0.027 62.975 63.100 -0.163 0.000 0.791 147 P CB 1.154 32.606 31.700 -0.413 0.000 0.978 148 E N -0.152 120.074 120.200 0.044 0.000 2.204 148 E HA -0.215 4.135 4.350 0.000 0.000 0.194 148 E C 1.726 178.444 176.600 0.195 0.000 0.989 148 E CA 1.403 57.907 56.400 0.173 0.000 0.824 148 E CB -0.633 29.173 29.700 0.177 0.000 0.756 148 E HN 0.689 nan 8.360 nan 0.000 0.477 149 H N -1.375 117.780 119.070 0.141 0.000 2.482 149 H HA 0.175 4.731 4.556 0.000 0.000 0.286 149 H C 0.538 176.011 175.328 0.242 0.000 1.017 149 H CA -0.042 56.080 56.048 0.123 0.000 1.322 149 H CB -0.068 29.722 29.762 0.047 0.000 1.426 149 H HN -0.135 nan 8.280 nan 0.000 0.546 150 V N 2.364 122.198 119.914 -0.134 0.000 2.546 150 V HA 0.249 4.369 4.120 0.000 0.000 0.284 150 V C -0.078 176.039 176.094 0.039 0.000 1.050 150 V CA -0.619 61.669 62.300 -0.019 0.000 0.981 150 V CB 1.353 33.078 31.823 -0.164 0.000 0.990 150 V HN 0.334 nan 8.190 nan 0.000 0.474 151 K N 3.587 123.985 120.400 -0.003 0.000 2.469 151 K HA 0.596 4.916 4.320 0.000 0.000 0.254 151 K C -1.405 175.131 176.600 -0.107 0.000 0.939 151 K CA -0.476 55.820 56.287 0.014 0.000 0.812 151 K CB 2.515 35.038 32.500 0.038 0.000 1.301 151 K HN 0.392 nan 8.250 nan 0.000 0.433 152 F N 1.148 121.200 119.950 0.170 0.000 2.492 152 F HA 0.509 5.036 4.527 0.000 0.000 0.327 152 F C 0.263 176.183 175.800 0.200 0.000 1.079 152 F CA -0.863 57.241 58.000 0.174 0.000 0.967 152 F CB 1.330 40.373 39.000 0.071 0.000 1.169 152 F HN 0.095 nan 8.300 nan 0.000 0.472 153 L N 5.003 126.482 121.223 0.426 0.000 2.462 153 L HA 0.396 4.736 4.340 0.000 0.000 0.255 153 L C -1.066 175.997 176.870 0.322 0.000 1.076 153 L CA -0.260 54.800 54.840 0.368 0.000 0.920 153 L CB 0.656 42.935 42.059 0.366 0.000 1.214 153 L HN 0.439 nan 8.230 nan 0.000 0.472 154 L N 2.169 123.524 121.223 0.220 0.000 2.371 154 L HA 0.729 5.069 4.340 0.000 0.000 0.272 154 L C 0.511 177.490 176.870 0.182 0.000 1.124 154 L CA -0.153 54.782 54.840 0.158 0.000 0.816 154 L CB 1.417 43.505 42.059 0.048 0.000 1.129 154 L HN 0.580 nan 8.230 nan 0.000 0.448 155 A N 2.169 125.097 122.820 0.180 0.000 2.423 155 A HA 0.957 5.277 4.320 0.000 0.000 0.304 155 A C -0.587 177.069 177.584 0.119 0.000 1.104 155 A CA -0.428 51.716 52.037 0.179 0.000 0.757 155 A CB 2.008 21.119 19.000 0.184 0.000 1.313 155 A HN 0.650 nan 8.150 nan 0.000 0.423 156 T N 0.043 114.636 114.554 0.064 0.000 2.893 156 T HA 0.365 4.715 4.350 0.000 0.000 0.337 156 T C 0.257 174.913 174.700 -0.073 0.000 1.587 156 T CA -0.077 62.011 62.100 -0.021 0.000 1.066 156 T CB 1.561 70.351 68.868 -0.131 0.000 1.414 156 T HN 0.514 nan 8.240 nan 0.000 0.488 157 T N 0.574 115.061 114.554 -0.112 0.000 3.037 157 T HA 0.184 4.534 4.350 0.000 0.000 0.252 157 T C -0.095 174.533 174.700 -0.119 0.000 1.073 157 T CA 0.448 62.512 62.100 -0.060 0.000 1.091 157 T CB 0.056 68.949 68.868 0.041 0.000 0.935 157 T HN 0.509 nan 8.240 nan 0.000 0.488 158 D N 0.514 120.731 120.400 -0.305 0.000 2.336 158 D HA 0.331 4.971 4.640 0.000 0.000 0.248 158 D C -2.242 173.891 176.300 -0.278 0.000 1.326 158 D CA -2.075 51.789 54.000 -0.226 0.000 0.973 158 D CB 1.843 42.561 40.800 -0.138 0.000 1.255 158 D HN -0.116 nan 8.370 nan 0.000 0.558 159 P HA -0.083 nan 4.420 nan 0.000 0.222 159 P C 1.103 178.377 177.300 -0.043 0.000 1.147 159 P CA 0.907 63.954 63.100 -0.089 0.000 0.790 159 P CB 0.384 32.062 31.700 -0.036 0.000 0.780 160 Q N -0.390 119.392 119.800 -0.030 0.000 2.230 160 Q HA -0.046 4.294 4.340 0.000 0.000 0.202 160 Q C 1.544 177.549 176.000 0.009 0.000 0.963 160 Q CA 0.874 56.675 55.803 -0.003 0.000 0.866 160 Q CB -0.223 28.518 28.738 0.005 0.000 0.931 160 Q HN 0.353 nan 8.270 nan 0.000 0.452 161 K N 0.333 120.743 120.400 0.016 0.000 2.551 161 K HA 0.105 4.425 4.320 0.000 0.000 0.192 161 K C -0.016 176.640 176.600 0.093 0.000 1.027 161 K CA 0.141 56.471 56.287 0.073 0.000 1.059 161 K CB 0.227 32.845 32.500 0.196 0.000 0.831 161 K HN 0.129 nan 8.250 nan 0.000 0.508 162 L N 3.066 124.335 121.223 0.076 0.000 2.272 162 L HA 0.280 4.620 4.340 0.000 0.000 0.289 162 L C -2.081 174.841 176.870 0.088 0.000 1.032 162 L CA -2.297 52.620 54.840 0.128 0.000 0.810 162 L CB 1.251 43.375 42.059 0.108 0.000 1.205 162 L HN -0.071 nan 8.230 nan 0.000 0.422 163 P HA -0.024 nan 4.420 nan 0.000 0.266 163 P C 0.966 178.301 177.300 0.058 0.000 1.195 163 P CA -0.223 62.917 63.100 0.067 0.000 0.768 163 P CB 1.130 32.883 31.700 0.087 0.000 0.838 164 V N 2.378 122.307 119.914 0.025 0.000 2.660 164 V HA -0.254 3.866 4.120 0.000 0.000 0.257 164 V C 2.596 178.694 176.094 0.006 0.000 1.088 164 V CA 2.602 64.907 62.300 0.009 0.000 1.106 164 V CB -2.254 29.568 31.823 -0.001 0.000 0.686 164 V HN 0.715 nan 8.190 nan 0.000 0.481 165 T N -1.953 112.614 114.554 0.020 0.000 2.881 165 T HA -0.061 4.289 4.350 0.000 0.000 0.270 165 T C 1.739 176.435 174.700 -0.007 0.000 1.068 165 T CA 1.478 63.585 62.100 0.011 0.000 1.131 165 T CB -0.229 68.658 68.868 0.031 0.000 0.871 165 T HN 0.453 nan 8.240 nan 0.000 0.479 166 I N -0.005 120.569 120.570 0.007 0.000 2.556 166 I HA 0.124 4.294 4.170 0.000 0.000 0.251 166 I C 2.493 178.575 176.117 -0.057 0.000 1.105 166 I CA 0.336 61.608 61.300 -0.047 0.000 1.436 166 I CB -0.175 37.799 38.000 -0.043 0.000 1.139 166 I HN 0.168 nan 8.210 nan 0.000 0.438 167 L N 0.976 122.181 121.223 -0.031 0.000 2.021 167 L HA -0.273 4.067 4.340 0.000 0.000 0.215 167 L C 2.742 179.575 176.870 -0.063 0.000 1.074 167 L CA 2.167 56.979 54.840 -0.047 0.000 0.760 167 L CB -0.716 41.326 42.059 -0.029 0.000 0.889 167 L HN 0.387 nan 8.230 nan 0.000 0.433 168 S N -0.762 114.909 115.700 -0.049 0.000 2.469 168 S HA -0.149 4.321 4.470 0.000 0.000 0.238 168 S C 1.811 176.378 174.600 -0.055 0.000 0.998 168 S CA 0.662 58.833 58.200 -0.049 0.000 0.957 168 S CB -0.317 62.862 63.200 -0.035 0.000 0.764 168 S HN 0.437 nan 8.310 nan 0.000 0.514 169 R N -0.397 120.063 120.500 -0.066 0.000 2.317 169 R HA 0.309 4.649 4.340 0.000 0.000 0.208 169 R C -0.342 175.912 176.300 -0.076 0.000 0.914 169 R CA -0.040 56.019 56.100 -0.068 0.000 1.060 169 R CB 0.008 30.257 30.300 -0.084 0.000 1.015 169 R HN 0.388 nan 8.270 nan 0.000 0.498 170 C N 0.254 119.490 119.300 -0.106 0.000 2.667 170 C HA 0.387 4.847 4.460 0.000 0.000 0.323 170 C C -0.308 174.551 174.990 -0.218 0.000 1.214 170 C CA -1.146 57.781 59.018 -0.152 0.000 1.721 170 C CB 1.540 29.188 27.740 -0.152 0.000 2.275 170 C HN 0.215 nan 8.230 nan 0.000 0.491 171 L N 2.858 123.875 121.223 -0.343 0.000 2.302 171 L HA 0.299 4.639 4.340 0.000 0.000 0.285 171 L C 0.168 176.731 176.870 -0.511 0.000 1.090 171 L CA 0.669 55.215 54.840 -0.491 0.000 0.866 171 L CB -0.231 41.385 42.059 -0.738 0.000 1.244 171 L HN 0.696 nan 8.230 nan 0.000 0.435 172 Q N 3.834 123.353 119.800 -0.468 0.000 2.373 172 Q HA 0.396 4.736 4.340 0.000 0.000 0.255 172 Q C -1.309 174.333 176.000 -0.596 0.000 0.980 172 Q CA 0.408 55.977 55.803 -0.390 0.000 0.882 172 Q CB 1.014 29.626 28.738 -0.210 0.000 1.249 172 Q HN 0.457 nan 8.270 nan 0.000 0.438 173 F N 0.642 120.580 119.950 -0.021 0.000 2.617 173 F HA 0.178 4.705 4.527 0.000 0.000 0.325 173 F C -0.414 175.466 175.800 0.134 0.000 1.179 173 F CA -0.712 57.347 58.000 0.098 0.000 0.965 173 F CB 1.440 40.565 39.000 0.209 0.000 1.232 173 F HN 0.522 nan 8.300 nan 0.000 0.461 174 H N 5.380 124.619 119.070 0.282 0.000 2.594 174 H HA 0.436 4.992 4.556 0.000 0.000 0.304 174 H C -0.765 174.656 175.328 0.155 0.000 1.068 174 H CA -0.233 55.920 56.048 0.175 0.000 1.308 174 H CB 0.957 30.779 29.762 0.100 0.000 1.409 174 H HN 0.548 nan 8.280 nan 0.000 0.460 175 L N 6.163 127.501 121.223 0.191 0.000 2.282 175 L HA 0.241 4.581 4.340 0.000 0.000 0.287 175 L C 0.839 177.819 176.870 0.183 0.000 1.075 175 L CA -0.350 54.574 54.840 0.139 0.000 0.839 175 L CB 0.515 42.595 42.059 0.035 0.000 1.219 175 L HN 0.362 nan 8.230 nan 0.000 0.434 176 K N 1.945 122.450 120.400 0.174 0.000 2.219 176 K HA 0.437 4.757 4.320 0.000 0.000 0.258 176 K C 0.241 176.880 176.600 0.065 0.000 1.008 176 K CA -0.434 55.929 56.287 0.127 0.000 0.928 176 K CB 1.013 33.556 32.500 0.072 0.000 0.983 176 K HN 0.637 nan 8.250 nan 0.000 0.484 177 A N 2.877 125.728 122.820 0.053 0.000 2.363 177 A HA 0.254 4.574 4.320 0.000 0.000 0.270 177 A C 0.092 177.682 177.584 0.011 0.000 1.121 177 A CA -0.537 51.517 52.037 0.027 0.000 0.800 177 A CB -0.005 19.011 19.000 0.027 0.000 1.052 177 A HN 0.629 nan 8.150 nan 0.000 0.493 178 L N 1.425 122.648 121.223 -0.001 0.000 2.482 178 L HA 0.101 4.441 4.340 0.000 0.000 0.273 178 L C 0.765 177.630 176.870 -0.009 0.000 1.228 178 L CA -0.240 54.594 54.840 -0.010 0.000 0.827 178 L CB 0.202 42.250 42.059 -0.018 0.000 1.099 178 L HN 0.899 nan 8.230 nan 0.000 0.494 179 D N 0.186 120.578 120.400 -0.013 0.000 2.357 179 D HA 0.129 4.769 4.640 0.000 0.000 0.242 179 D C 0.845 177.139 176.300 -0.010 0.000 1.153 179 D CA -0.509 53.484 54.000 -0.011 0.000 0.918 179 D CB 1.295 42.085 40.800 -0.017 0.000 1.181 179 D HN 0.218 nan 8.370 nan 0.000 0.435 180 V N 1.842 121.753 119.914 -0.005 0.000 2.220 180 V HA -0.192 3.928 4.120 0.000 0.000 0.246 180 V C 1.882 177.977 176.094 0.001 0.000 1.049 180 V CA 1.776 64.075 62.300 -0.003 0.000 1.003 180 V CB -0.790 31.034 31.823 0.002 0.000 0.634 180 V HN 0.710 nan 8.190 nan 0.000 0.444 181 E N -0.580 119.624 120.200 0.006 0.000 2.461 181 E HA -0.143 4.207 4.350 0.000 0.000 0.196 181 E C 1.881 178.493 176.600 0.020 0.000 1.129 181 E CA 0.132 56.544 56.400 0.019 0.000 0.902 181 E CB 0.071 29.782 29.700 0.018 0.000 0.963 181 E HN 0.612 nan 8.360 nan 0.000 0.503 182 Q N -0.280 119.521 119.800 0.001 0.000 2.378 182 Q HA 0.089 4.429 4.340 0.000 0.000 0.229 182 Q C 1.764 177.770 176.000 0.010 0.000 0.882 182 Q CA 0.066 55.862 55.803 -0.012 0.000 0.936 182 Q CB 0.574 29.292 28.738 -0.034 0.000 1.092 182 Q HN 0.286 nan 8.270 nan 0.000 0.535 183 I N 0.219 120.789 120.570 0.001 0.000 2.731 183 I HA -0.100 4.070 4.170 0.000 0.000 0.260 183 I C 2.554 178.660 176.117 -0.019 0.000 1.138 183 I CA 0.205 61.496 61.300 -0.016 0.000 1.461 183 I CB -0.182 37.803 38.000 -0.025 0.000 1.128 183 I HN 0.146 nan 8.210 nan 0.000 0.438 184 R N 0.964 121.462 120.500 -0.002 0.000 2.082 184 R HA -0.267 4.073 4.340 0.000 0.000 0.234 184 R C 2.387 178.681 176.300 -0.009 0.000 1.136 184 R CA 1.945 58.037 56.100 -0.015 0.000 0.935 184 R CB -0.989 29.316 30.300 0.007 0.000 0.842 184 R HN 0.400 nan 8.270 nan 0.000 0.430 185 H N 0.178 119.217 119.070 -0.052 0.000 2.426 185 H HA -0.179 4.377 4.556 0.000 0.000 0.298 185 H C 1.956 177.254 175.328 -0.050 0.000 1.107 185 H CA 2.317 58.339 56.048 -0.044 0.000 1.298 185 H CB 0.268 30.005 29.762 -0.042 0.000 1.377 185 H HN 0.313 nan 8.280 nan 0.000 0.519 186 Q N 0.692 120.513 119.800 0.034 0.000 2.049 186 Q HA -0.039 4.301 4.340 0.000 0.000 0.198 186 Q C 2.724 178.657 176.000 -0.112 0.000 0.971 186 Q CA 1.222 57.012 55.803 -0.022 0.000 0.833 186 Q CB -0.401 28.319 28.738 -0.030 0.000 0.896 186 Q HN 0.493 nan 8.270 nan 0.000 0.434 187 L N 0.442 121.576 121.223 -0.149 0.000 2.079 187 L HA -0.181 4.159 4.340 0.000 0.000 0.210 187 L C 2.529 179.224 176.870 -0.291 0.000 1.081 187 L CA 1.791 56.494 54.840 -0.228 0.000 0.752 187 L CB -0.514 41.428 42.059 -0.195 0.000 0.896 187 L HN 0.460 nan 8.230 nan 0.000 0.433 188 E N -0.559 119.479 120.200 -0.270 0.000 2.047 188 E HA -0.280 4.070 4.350 0.000 0.000 0.191 188 E C 2.237 178.704 176.600 -0.223 0.000 0.987 188 E CA 1.062 57.265 56.400 -0.328 0.000 0.799 188 E CB -0.097 29.468 29.700 -0.226 0.000 0.752 188 E HN 0.495 nan 8.360 nan 0.000 0.449 189 H N 0.758 119.658 119.070 -0.283 0.000 2.290 189 H HA -0.133 4.423 4.556 0.000 0.000 0.298 189 H C 2.231 177.431 175.328 -0.213 0.000 1.087 189 H CA 1.972 57.890 56.048 -0.216 0.000 1.291 189 H CB -0.146 29.503 29.762 -0.189 0.000 1.369 189 H HN 0.239 nan 8.280 nan 0.000 0.492 190 I N 0.803 121.153 120.570 -0.367 0.000 2.208 190 I HA -0.307 3.863 4.170 0.000 0.000 0.245 190 I C 2.749 178.614 176.117 -0.421 0.000 1.097 190 I CA 0.911 61.809 61.300 -0.669 0.000 1.363 190 I CB -0.239 37.138 38.000 -1.038 0.000 1.051 190 I HN 0.251 nan 8.210 nan 0.000 0.413 191 L N 0.368 121.394 121.223 -0.329 0.000 2.141 191 L HA -0.191 4.149 4.340 0.000 0.000 0.209 191 L C 2.171 178.972 176.870 -0.114 0.000 1.094 191 L CA 1.019 55.741 54.840 -0.198 0.000 0.763 191 L CB -0.666 41.249 42.059 -0.239 0.000 0.908 191 L HN 0.334 nan 8.230 nan 0.000 0.437 192 N N 0.033 118.643 118.700 -0.150 0.000 2.244 192 N HA -0.157 4.583 4.740 0.000 0.000 0.183 192 N C 1.607 176.954 175.510 -0.272 0.000 1.016 192 N CA 1.039 54.006 53.050 -0.138 0.000 0.866 192 N CB 0.008 38.427 38.487 -0.113 0.000 0.980 192 N HN 0.412 nan 8.380 nan 0.000 0.430 193 E N 0.178 120.220 120.200 -0.264 0.000 2.435 193 E HA -0.013 4.337 4.350 0.000 0.000 0.195 193 E C 0.603 177.141 176.600 -0.103 0.000 1.029 193 E CA 0.355 56.629 56.400 -0.210 0.000 0.865 193 E CB 0.290 29.930 29.700 -0.100 0.000 0.833 193 E HN 0.258 nan 8.360 nan 0.000 0.510 194 E N -0.205 119.971 120.200 -0.040 0.000 2.474 194 E HA -0.003 4.347 4.350 0.000 0.000 0.195 194 E C -0.397 176.275 176.600 0.120 0.000 1.039 194 E CA 0.066 56.515 56.400 0.082 0.000 0.881 194 E CB 0.285 30.053 29.700 0.114 0.000 0.970 194 E HN 0.248 nan 8.360 nan 0.000 0.486 195 H N -0.324 118.769 119.070 0.038 0.000 2.819 195 H HA -0.160 4.396 4.556 0.000 0.000 0.315 195 H C -0.333 175.015 175.328 0.033 0.000 1.242 195 H CA 0.666 56.731 56.048 0.030 0.000 1.157 195 H CB -2.048 27.728 29.762 0.023 0.000 1.451 195 H HN 0.178 nan 8.280 nan 0.000 0.430 196 I N 0.111 120.749 120.570 0.114 0.000 2.406 196 I HA 0.499 4.669 4.170 0.000 0.000 0.290 196 I C 1.043 177.233 176.117 0.122 0.000 0.999 196 I CA -0.578 60.780 61.300 0.097 0.000 1.124 196 I CB 1.847 39.886 38.000 0.065 0.000 1.289 196 I HN 0.292 nan 8.210 nan 0.000 0.441 197 A N 6.416 129.286 122.820 0.082 0.000 2.429 197 A HA 0.426 4.746 4.320 0.000 0.000 0.242 197 A C -0.165 177.490 177.584 0.119 0.000 1.088 197 A CA 0.402 52.464 52.037 0.042 0.000 0.784 197 A CB 0.130 19.134 19.000 0.006 0.000 1.038 197 A HN 0.981 nan 8.150 nan 0.000 0.501 198 H N -1.457 117.604 119.070 -0.016 0.000 2.984 198 H HA 0.433 4.989 4.556 0.000 0.000 0.298 198 H C -1.751 173.565 175.328 -0.019 0.000 1.378 198 H CA -0.722 55.312 56.048 -0.022 0.000 1.241 198 H CB 0.441 30.182 29.762 -0.035 0.000 1.894 198 H HN 0.602 nan 8.280 nan 0.000 0.511 199 E N 2.205 122.488 120.200 0.138 0.000 2.176 199 E HA 0.209 4.559 4.350 0.000 0.000 0.267 199 E C -1.816 174.874 176.600 0.150 0.000 0.893 199 E CA -2.275 54.169 56.400 0.072 0.000 0.761 199 E CB 2.532 32.251 29.700 0.032 0.000 1.133 199 E HN 0.372 nan 8.360 nan 0.000 0.409 200 P HA -0.213 nan 4.420 nan 0.000 0.218 200 P C 1.036 178.370 177.300 0.057 0.000 1.146 200 P CA 1.127 64.297 63.100 0.116 0.000 0.813 200 P CB 0.307 32.058 31.700 0.084 0.000 0.778 201 R N -0.579 119.946 120.500 0.042 0.000 2.275 201 R HA 0.148 4.488 4.340 0.000 0.000 0.199 201 R C 2.067 178.377 176.300 0.018 0.000 0.989 201 R CA 0.698 56.812 56.100 0.025 0.000 1.016 201 R CB -0.222 30.089 30.300 0.019 0.000 0.918 201 R HN 0.078 nan 8.270 nan 0.000 0.473 202 A N 0.529 123.364 122.820 0.025 0.000 1.903 202 A HA -0.018 4.302 4.320 0.000 0.000 0.213 202 A C 1.966 179.546 177.584 -0.007 0.000 1.185 202 A CA 0.545 52.589 52.037 0.012 0.000 0.628 202 A CB -0.202 18.813 19.000 0.025 0.000 0.830 202 A HN 0.238 nan 8.150 nan 0.000 0.446 203 L N -0.885 120.331 121.223 -0.012 0.000 2.093 203 L HA -0.203 4.137 4.340 0.000 0.000 0.208 203 L C 2.825 179.674 176.870 -0.035 0.000 1.085 203 L CA 1.625 56.434 54.840 -0.053 0.000 0.755 203 L CB -0.390 41.612 42.059 -0.095 0.000 0.904 203 L HN 0.471 nan 8.230 nan 0.000 0.435 204 Q N 0.590 120.382 119.800 -0.012 0.000 2.084 204 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 204 Q C 2.169 178.165 176.000 -0.008 0.000 0.978 204 Q CA 1.743 57.543 55.803 -0.004 0.000 0.844 204 Q CB -0.299 28.444 28.738 0.009 0.000 0.898 204 Q HN 0.440 nan 8.270 nan 0.000 0.426 205 L N -0.463 120.756 121.223 -0.008 0.000 2.083 205 L HA -0.185 4.155 4.340 0.000 0.000 0.209 205 L C 2.293 179.152 176.870 -0.018 0.000 1.083 205 L CA 0.969 55.803 54.840 -0.010 0.000 0.752 205 L CB -0.381 41.673 42.059 -0.010 0.000 0.899 205 L HN 0.296 nan 8.230 nan 0.000 0.433 206 L N -0.760 120.447 121.223 -0.027 0.000 2.156 206 L HA -0.105 4.235 4.340 0.000 0.000 0.208 206 L C 2.731 179.580 176.870 -0.036 0.000 1.095 206 L CA 0.854 55.672 54.840 -0.036 0.000 0.770 206 L CB -0.463 41.565 42.059 -0.052 0.000 0.914 206 L HN 0.200 nan 8.230 nan 0.000 0.439 207 A N -0.238 122.562 122.820 -0.033 0.000 2.014 207 A HA -0.129 4.191 4.320 0.000 0.000 0.218 207 A C 2.352 179.925 177.584 -0.018 0.000 1.163 207 A CA 1.100 53.120 52.037 -0.029 0.000 0.652 207 A CB -0.268 18.718 19.000 -0.023 0.000 0.808 207 A HN 0.312 nan 8.150 nan 0.000 0.449 208 R N -0.844 119.648 120.500 -0.014 0.000 2.090 208 R HA 0.144 4.484 4.340 0.000 0.000 0.219 208 R C 2.545 178.839 176.300 -0.010 0.000 1.100 208 R CA 0.820 56.915 56.100 -0.008 0.000 0.991 208 R CB -0.417 29.881 30.300 -0.004 0.000 0.893 208 R HN 0.450 nan 8.270 nan 0.000 0.443 209 A N 2.014 124.826 122.820 -0.014 0.000 1.881 209 A HA -0.163 4.157 4.320 0.000 0.000 0.219 209 A C 1.295 178.871 177.584 -0.012 0.000 1.215 209 A CA 1.856 53.884 52.037 -0.014 0.000 0.648 209 A CB -0.789 18.200 19.000 -0.019 0.000 0.832 209 A HN 0.404 nan 8.150 nan 0.000 0.455 210 A N -0.375 122.436 122.820 -0.015 0.000 2.363 210 A HA 0.488 4.808 4.320 0.000 0.000 0.270 210 A C 0.050 177.628 177.584 -0.009 0.000 1.121 210 A CA -0.188 51.841 52.037 -0.013 0.000 0.800 210 A CB 0.134 19.123 19.000 -0.018 0.000 1.052 210 A HN 0.482 nan 8.150 nan 0.000 0.493 211 E N 1.999 122.197 120.200 -0.004 0.000 1.993 211 E HA 0.427 4.777 4.350 0.000 0.000 0.271 211 E C 0.959 177.559 176.600 0.001 0.000 1.008 211 E CA 0.395 56.795 56.400 -0.000 0.000 0.814 211 E CB -0.047 29.655 29.700 0.004 0.000 1.098 211 E HN 1.269 nan 8.360 nan 0.000 0.407 212 G N 3.669 112.467 108.800 -0.003 0.000 2.203 212 G HA2 -0.306 3.654 3.960 0.000 0.000 0.263 212 G HA3 -0.306 3.654 3.960 0.000 0.000 0.263 212 G C 0.068 174.964 174.900 -0.005 0.000 1.012 212 G CA 0.725 45.823 45.100 -0.003 0.000 0.749 212 G HN 0.621 nan 8.290 nan 0.000 0.512 213 S N -0.976 114.719 115.700 -0.009 0.000 2.406 213 S HA 0.554 5.024 4.470 0.000 0.000 0.224 213 S C 1.051 175.640 174.600 -0.017 0.000 1.426 213 S CA -0.154 58.040 58.200 -0.010 0.000 1.179 213 S CB 1.585 64.783 63.200 -0.005 0.000 1.042 213 S HN 0.619 nan 8.310 nan 0.000 0.479 214 L N 3.169 124.379 121.223 -0.021 0.000 2.129 214 L HA -0.086 4.254 4.340 0.000 0.000 0.212 214 L C 2.457 179.313 176.870 -0.024 0.000 1.087 214 L CA 1.736 56.559 54.840 -0.028 0.000 0.757 214 L CB -0.542 41.500 42.059 -0.027 0.000 0.896 214 L HN 0.633 nan 8.230 nan 0.000 0.434 215 R N -0.483 120.009 120.500 -0.013 0.000 2.103 215 R HA -0.181 4.159 4.340 0.000 0.000 0.234 215 R C 1.946 178.240 176.300 -0.010 0.000 1.132 215 R CA 1.815 57.913 56.100 -0.004 0.000 0.925 215 R CB -0.914 29.386 30.300 0.000 0.000 0.842 215 R HN 0.405 nan 8.270 nan 0.000 0.430 216 D N 0.616 121.010 120.400 -0.010 0.000 2.182 216 D HA -0.163 4.477 4.640 0.000 0.000 0.201 216 D C 1.843 178.130 176.300 -0.023 0.000 0.986 216 D CA 1.501 55.494 54.000 -0.012 0.000 0.847 216 D CB -0.228 40.568 40.800 -0.008 0.000 0.942 216 D HN 0.343 nan 8.370 nan 0.000 0.467 217 A N 0.962 123.763 122.820 -0.032 0.000 1.877 217 A HA -0.144 4.176 4.320 0.000 0.000 0.216 217 A C 2.439 179.985 177.584 -0.062 0.000 1.186 217 A CA 0.973 52.981 52.037 -0.049 0.000 0.620 217 A CB -0.774 18.191 19.000 -0.058 0.000 0.822 217 A HN 0.181 nan 8.150 nan 0.000 0.443 218 L N -0.739 120.446 121.223 -0.065 0.000 1.994 218 L HA -0.167 4.173 4.340 0.000 0.000 0.208 218 L C 2.878 179.723 176.870 -0.042 0.000 1.071 218 L CA 1.541 56.336 54.840 -0.074 0.000 0.745 218 L CB -0.730 41.294 42.059 -0.059 0.000 0.892 218 L HN 0.304 nan 8.230 nan 0.000 0.431 219 S N 0.137 115.824 115.700 -0.021 0.000 2.380 219 S HA -0.189 4.281 4.470 0.000 0.000 0.229 219 S C 1.983 176.574 174.600 -0.016 0.000 1.043 219 S CA 1.445 59.640 58.200 -0.009 0.000 1.038 219 S CB -0.399 62.799 63.200 -0.003 0.000 0.872 219 S HN 0.276 nan 8.310 nan 0.000 0.456 220 L N 0.585 121.794 121.223 -0.024 0.000 2.093 220 L HA -0.094 4.246 4.340 0.000 0.000 0.208 220 L C 2.496 179.346 176.870 -0.033 0.000 1.085 220 L CA 1.142 55.966 54.840 -0.026 0.000 0.755 220 L CB -0.880 41.162 42.059 -0.029 0.000 0.904 220 L HN 0.305 nan 8.230 nan 0.000 0.435 221 T N -1.296 113.230 114.554 -0.048 0.000 2.995 221 T HA -0.113 4.237 4.350 0.000 0.000 0.269 221 T C 1.318 175.995 174.700 -0.038 0.000 1.091 221 T CA 0.864 62.930 62.100 -0.058 0.000 1.128 221 T CB -0.114 68.695 68.868 -0.098 0.000 0.891 221 T HN 0.299 nan 8.240 nan 0.000 0.492 222 D N 1.205 121.590 120.400 -0.024 0.000 2.194 222 D HA -0.015 4.625 4.640 0.000 0.000 0.204 222 D C 2.278 178.578 176.300 -0.001 0.000 0.964 222 D CA 0.734 54.731 54.000 -0.005 0.000 0.846 222 D CB -0.070 40.734 40.800 0.008 0.000 0.962 222 D HN 0.433 nan 8.370 nan 0.000 0.490 223 Q N 0.576 120.373 119.800 -0.005 0.000 2.016 223 Q HA -0.076 4.264 4.340 0.000 0.000 0.200 223 Q C 2.272 178.269 176.000 -0.005 0.000 0.978 223 Q CA 1.277 57.078 55.803 -0.004 0.000 0.833 223 Q CB -0.118 28.616 28.738 -0.007 0.000 0.895 223 Q HN 0.174 nan 8.270 nan 0.000 0.427 224 A N 0.816 123.629 122.820 -0.011 0.000 1.948 224 A HA -0.209 4.111 4.320 0.000 0.000 0.220 224 A C 1.982 179.563 177.584 -0.005 0.000 1.177 224 A CA 1.300 53.330 52.037 -0.011 0.000 0.636 224 A CB -0.640 18.349 19.000 -0.019 0.000 0.815 224 A HN 0.321 nan 8.150 nan 0.000 0.449 225 I N -0.691 119.877 120.570 -0.003 0.000 2.193 225 I HA -0.206 3.964 4.170 0.000 0.000 0.240 225 I C 2.983 179.106 176.117 0.009 0.000 1.084 225 I CA 0.946 62.250 61.300 0.005 0.000 1.365 225 I CB -0.376 37.629 38.000 0.009 0.000 1.064 225 I HN 0.334 nan 8.210 nan 0.000 0.410 226 A N 0.523 123.349 122.820 0.009 0.000 1.948 226 A HA -0.244 4.076 4.320 0.000 0.000 0.220 226 A C 2.384 179.972 177.584 0.006 0.000 1.177 226 A CA 2.396 54.440 52.037 0.010 0.000 0.636 226 A CB -0.761 18.246 19.000 0.011 0.000 0.815 226 A HN 0.546 nan 8.150 nan 0.000 0.449 227 S N -1.849 113.852 115.700 0.003 0.000 2.548 227 S HA 0.291 4.761 4.470 0.000 0.000 0.215 227 S C 1.386 175.986 174.600 -0.000 0.000 0.976 227 S CA 0.720 58.920 58.200 -0.000 0.000 0.908 227 S CB 0.030 63.227 63.200 -0.004 0.000 0.781 227 S HN 0.664 nan 8.310 nan 0.000 0.519 228 G N 0.413 109.214 108.800 0.002 0.000 3.453 228 G HA2 0.254 4.214 3.960 0.000 0.000 0.263 228 G HA3 0.254 4.214 3.960 0.000 0.000 0.263 228 G C -0.266 174.638 174.900 0.006 0.000 1.060 228 G CA -0.237 44.865 45.100 0.003 0.000 0.793 228 G HN 0.358 nan 8.290 nan 0.000 0.532 229 D N 0.038 120.442 120.400 0.007 0.000 3.003 229 D HA -0.110 4.530 4.640 0.000 0.000 0.223 229 D C 1.606 177.913 176.300 0.011 0.000 1.204 229 D CA 1.790 55.795 54.000 0.008 0.000 0.828 229 D CB -1.198 39.605 40.800 0.005 0.000 0.918 229 D HN 0.940 nan 8.370 nan 0.000 0.401 230 G N 1.229 110.038 108.800 0.016 0.000 2.225 230 G HA2 -0.323 3.637 3.960 0.000 0.000 0.254 230 G HA3 -0.323 3.637 3.960 0.000 0.000 0.254 230 G C 0.270 175.185 174.900 0.025 0.000 0.988 230 G CA 0.546 45.658 45.100 0.021 0.000 0.625 230 G HN 0.587 nan 8.290 nan 0.000 0.527 231 Q N -0.384 119.429 119.800 0.021 0.000 2.353 231 Q HA 0.583 4.923 4.340 0.000 0.000 0.268 231 Q C -0.395 175.621 176.000 0.027 0.000 1.045 231 Q CA -0.816 55.003 55.803 0.027 0.000 0.811 231 Q CB 2.926 31.675 28.738 0.019 0.000 1.305 231 Q HN 0.146 nan 8.270 nan 0.000 0.447 232 V N 2.667 122.607 119.914 0.043 0.000 2.162 232 V HA 0.116 4.236 4.120 0.000 0.000 0.255 232 V C 0.014 176.135 176.094 0.046 0.000 1.304 232 V CA -0.241 62.079 62.300 0.034 0.000 1.198 232 V CB -0.446 31.392 31.823 0.025 0.000 1.333 232 V HN 0.734 nan 8.190 nan 0.000 0.493 233 S N 1.493 117.208 115.700 0.026 0.000 2.578 233 S HA 0.294 4.764 4.470 0.000 0.000 0.283 233 S C 1.246 175.852 174.600 0.011 0.000 1.195 233 S CA -0.256 57.956 58.200 0.020 0.000 1.050 233 S CB 1.601 64.808 63.200 0.010 0.000 1.012 233 S HN 0.499 nan 8.310 nan 0.000 0.511 234 T N 1.987 116.548 114.554 0.011 0.000 2.737 234 T HA -0.183 4.167 4.350 0.000 0.000 0.269 234 T C 1.593 176.290 174.700 -0.004 0.000 1.040 234 T CA 1.769 63.872 62.100 0.004 0.000 1.142 234 T CB -0.430 68.441 68.868 0.005 0.000 0.861 234 T HN 0.738 nan 8.240 nan 0.000 0.456 235 Q N -0.043 119.755 119.800 -0.004 0.000 2.488 235 Q HA 0.204 4.544 4.340 0.000 0.000 0.211 235 Q C 2.318 178.312 176.000 -0.010 0.000 0.967 235 Q CA 0.758 56.556 55.803 -0.008 0.000 0.926 235 Q CB -0.061 28.673 28.738 -0.007 0.000 0.992 235 Q HN 0.601 nan 8.270 nan 0.000 0.506 236 A N -0.479 122.336 122.820 -0.007 0.000 1.993 236 A HA 0.057 4.377 4.320 0.000 0.000 0.207 236 A C 2.063 179.640 177.584 -0.012 0.000 1.224 236 A CA 0.121 52.153 52.037 -0.008 0.000 0.749 236 A CB 0.071 19.069 19.000 -0.003 0.000 0.884 236 A HN 0.132 nan 8.150 nan 0.000 0.467 237 V N 1.107 121.014 119.914 -0.011 0.000 2.255 237 V HA -0.196 3.924 4.120 0.000 0.000 0.243 237 V C 2.942 179.023 176.094 -0.021 0.000 1.038 237 V CA 2.351 64.642 62.300 -0.016 0.000 1.008 237 V CB -0.847 30.968 31.823 -0.013 0.000 0.645 237 V HN 0.758 nan 8.190 nan 0.000 0.449 238 S N 1.269 116.957 115.700 -0.020 0.000 2.441 238 S HA -0.238 4.232 4.470 0.000 0.000 0.242 238 S C 1.867 176.443 174.600 -0.038 0.000 1.018 238 S CA 1.668 59.852 58.200 -0.027 0.000 0.988 238 S CB -0.552 62.633 63.200 -0.025 0.000 0.778 238 S HN 0.613 nan 8.310 nan 0.000 0.498 239 A N 0.977 123.776 122.820 -0.035 0.000 1.984 239 A HA 0.389 4.709 4.320 0.000 0.000 0.214 239 A C 2.245 179.804 177.584 -0.042 0.000 1.173 239 A CA 0.714 52.727 52.037 -0.042 0.000 0.673 239 A CB -0.481 18.498 19.000 -0.034 0.000 0.830 239 A HN 0.509 nan 8.150 nan 0.000 0.453 240 M N -0.212 119.369 119.600 -0.032 0.000 2.067 240 M HA -0.090 4.390 4.480 0.000 0.000 0.260 240 M C 1.823 178.101 176.300 -0.036 0.000 1.069 240 M CA 1.558 56.840 55.300 -0.029 0.000 1.117 240 M CB -0.444 32.142 32.600 -0.023 0.000 1.334 240 M HN 0.397 nan 8.290 nan 0.000 0.407 241 L N -0.712 120.489 121.223 -0.037 0.000 2.456 241 L HA 0.024 4.364 4.340 0.000 0.000 0.224 241 L C 1.381 178.215 176.870 -0.059 0.000 1.148 241 L CA 0.525 55.341 54.840 -0.040 0.000 0.825 241 L CB -1.078 40.961 42.059 -0.033 0.000 0.937 241 L HN 0.656 nan 8.230 nan 0.000 0.450 242 G N 0.534 109.291 108.800 -0.072 0.000 2.160 242 G HA2 -0.255 3.705 3.960 0.000 0.000 0.251 242 G HA3 -0.255 3.705 3.960 0.000 0.000 0.251 242 G C 0.173 175.000 174.900 -0.121 0.000 1.008 242 G CA 0.423 45.457 45.100 -0.110 0.000 0.724 242 G HN 0.326 nan 8.290 nan 0.000 0.514 243 T N 1.305 115.810 114.554 -0.082 0.000 2.795 243 T HA 0.595 4.945 4.350 0.000 0.000 0.282 243 T C 0.947 175.612 174.700 -0.059 0.000 0.980 243 T CA -0.681 61.378 62.100 -0.069 0.000 1.012 243 T CB 1.660 70.502 68.868 -0.043 0.000 0.936 243 T HN 0.360 nan 8.240 nan 0.000 0.457 244 L N 2.611 123.800 121.223 -0.058 0.000 2.514 244 L HA 0.106 4.446 4.340 0.000 0.000 0.280 244 L C 0.602 177.458 176.870 -0.023 0.000 1.223 244 L CA -0.321 54.493 54.840 -0.042 0.000 0.864 244 L CB 0.087 42.126 42.059 -0.034 0.000 1.118 244 L HN 0.578 nan 8.230 nan 0.000 0.494 245 D N 1.228 121.616 120.400 -0.020 0.000 2.414 245 D HA -0.028 4.612 4.640 0.000 0.000 0.242 245 D C 0.732 177.029 176.300 -0.004 0.000 1.129 245 D CA -0.071 53.923 54.000 -0.010 0.000 0.885 245 D CB 0.743 41.538 40.800 -0.010 0.000 1.198 245 D HN 0.394 nan 8.370 nan 0.000 0.437 246 D N 0.760 121.161 120.400 0.001 0.000 2.411 246 D HA -0.147 4.493 4.640 0.000 0.000 0.226 246 D C 1.113 177.416 176.300 0.005 0.000 0.988 246 D CA 0.718 54.722 54.000 0.006 0.000 0.938 246 D CB 0.242 41.048 40.800 0.010 0.000 0.883 246 D HN 0.398 nan 8.370 nan 0.000 0.525 247 D N -0.345 120.056 120.400 0.002 0.000 2.323 247 D HA -0.028 4.612 4.640 0.000 0.000 0.218 247 D C 1.783 178.084 176.300 0.002 0.000 0.973 247 D CA 0.606 54.607 54.000 0.002 0.000 0.890 247 D CB 0.269 41.069 40.800 0.000 0.000 1.011 247 D HN 0.096 nan 8.370 nan 0.000 0.499 248 Q N 0.274 120.074 119.800 -0.000 0.000 2.050 248 Q HA -0.067 4.273 4.340 0.000 0.000 0.202 248 Q C 2.231 178.234 176.000 0.006 0.000 0.980 248 Q CA 1.686 57.489 55.803 0.000 0.000 0.840 248 Q CB -0.194 28.538 28.738 -0.009 0.000 0.898 248 Q HN 0.290 nan 8.270 nan 0.000 0.424 249 A N 0.883 123.706 122.820 0.005 0.000 1.898 249 A HA -0.144 4.176 4.320 0.000 0.000 0.216 249 A C 2.065 179.658 177.584 0.013 0.000 1.181 249 A CA 1.047 53.092 52.037 0.013 0.000 0.620 249 A CB -0.565 18.443 19.000 0.013 0.000 0.819 249 A HN 0.329 nan 8.150 nan 0.000 0.442 250 L N 0.683 121.912 121.223 0.009 0.000 2.131 250 L HA -0.117 4.223 4.340 0.000 0.000 0.210 250 L C 2.484 179.354 176.870 0.001 0.000 1.092 250 L CA 2.575 57.417 54.840 0.005 0.000 0.759 250 L CB -0.512 41.549 42.059 0.003 0.000 0.903 250 L HN 0.391 nan 8.230 nan 0.000 0.435 251 S N -0.906 114.797 115.700 0.005 0.000 2.387 251 S HA -0.121 4.349 4.470 0.000 0.000 0.226 251 S C 2.013 176.618 174.600 0.008 0.000 1.026 251 S CA 1.168 59.371 58.200 0.005 0.000 0.972 251 S CB -0.644 62.561 63.200 0.008 0.000 0.814 251 S HN 0.442 nan 8.310 nan 0.000 0.477 252 L N 1.397 122.629 121.223 0.015 0.000 2.012 252 L HA -0.117 4.223 4.340 0.000 0.000 0.210 252 L C 2.497 179.372 176.870 0.009 0.000 1.073 252 L CA 1.149 56.004 54.840 0.024 0.000 0.748 252 L CB -0.673 41.409 42.059 0.038 0.000 0.891 252 L HN 0.222 nan 8.230 nan 0.000 0.431 253 V N -0.334 119.577 119.914 -0.006 0.000 2.392 253 V HA -0.294 3.826 4.120 0.000 0.000 0.249 253 V C 2.267 178.316 176.094 -0.075 0.000 1.059 253 V CA 1.911 64.184 62.300 -0.046 0.000 1.051 253 V CB -0.533 31.267 31.823 -0.038 0.000 0.658 253 V HN 0.482 nan 8.190 nan 0.000 0.455 254 E N 0.196 120.373 120.200 -0.039 0.000 2.072 254 E HA -0.085 4.265 4.350 0.000 0.000 0.190 254 E C 2.365 178.958 176.600 -0.012 0.000 0.982 254 E CA 1.085 57.466 56.400 -0.031 0.000 0.803 254 E CB -0.368 29.324 29.700 -0.014 0.000 0.755 254 E HN 0.586 nan 8.360 nan 0.000 0.453 255 A N 1.643 124.464 122.820 0.001 0.000 1.873 255 A HA -0.266 4.054 4.320 0.000 0.000 0.218 255 A C 2.189 179.793 177.584 0.034 0.000 1.193 255 A CA 1.700 53.748 52.037 0.018 0.000 0.629 255 A CB -0.619 18.396 19.000 0.025 0.000 0.826 255 A HN 0.244 nan 8.150 nan 0.000 0.447 256 M N -0.272 119.346 119.600 0.031 0.000 2.082 256 M HA -0.163 4.317 4.480 0.000 0.000 0.258 256 M C 1.922 178.303 176.300 0.134 0.000 1.069 256 M CA 2.096 57.442 55.300 0.078 0.000 1.102 256 M CB -0.236 32.380 32.600 0.026 0.000 1.336 256 M HN 0.255 nan 8.290 nan 0.000 0.404 257 V N 0.179 120.083 119.914 -0.017 0.000 2.667 257 V HA -0.201 3.919 4.120 0.000 0.000 0.252 257 V C 1.618 177.884 176.094 0.285 0.000 1.065 257 V CA 1.685 64.024 62.300 0.064 0.000 1.083 257 V CB -0.773 30.957 31.823 -0.155 0.000 0.692 257 V HN 0.519 nan 8.190 nan 0.000 0.468 258 E N 0.256 120.527 120.200 0.117 0.000 2.435 258 E HA 0.314 4.664 4.350 0.000 0.000 0.195 258 E C 1.305 177.881 176.600 -0.040 0.000 1.029 258 E CA 0.567 56.998 56.400 0.052 0.000 0.865 258 E CB -0.016 29.695 29.700 0.020 0.000 0.833 258 E HN 0.498 nan 8.360 nan 0.000 0.510 259 A N 2.337 125.141 122.820 -0.026 0.000 2.872 259 A HA -0.195 4.125 4.320 0.000 0.000 0.273 259 A C -0.162 177.378 177.584 -0.074 0.000 1.442 259 A CA 0.756 52.707 52.037 -0.143 0.000 0.801 259 A CB -2.569 16.070 19.000 -0.602 0.000 1.031 259 A HN 0.463 nan 8.150 nan 0.000 0.582 260 N N 0.229 118.916 118.700 -0.021 0.000 2.485 260 N HA 0.491 5.231 4.740 0.000 0.000 0.243 260 N C 1.025 176.538 175.510 0.006 0.000 0.987 260 N CA -0.044 52.998 53.050 -0.014 0.000 0.940 260 N CB 0.897 39.379 38.487 -0.009 0.000 1.122 260 N HN 0.446 nan 8.380 nan 0.000 0.509 261 G N 1.924 110.726 108.800 0.004 0.000 2.421 261 G HA2 -0.305 3.655 3.960 0.000 0.000 0.216 261 G HA3 -0.305 3.655 3.960 0.000 0.000 0.216 261 G C 0.970 175.881 174.900 0.018 0.000 1.171 261 G CA 0.597 45.706 45.100 0.016 0.000 0.775 261 G HN 0.712 nan 8.290 nan 0.000 0.543 262 E N 0.139 120.346 120.200 0.011 0.000 2.049 262 E HA -0.237 4.113 4.350 0.000 0.000 0.198 262 E C 2.495 179.106 176.600 0.019 0.000 1.007 262 E CA 1.172 57.579 56.400 0.013 0.000 0.809 262 E CB -0.188 29.517 29.700 0.008 0.000 0.749 262 E HN 0.402 nan 8.360 nan 0.000 0.450 263 R N 0.013 120.523 120.500 0.017 0.000 2.103 263 R HA -0.175 4.165 4.340 0.000 0.000 0.242 263 R C 2.320 178.638 176.300 0.030 0.000 1.142 263 R CA 1.668 57.781 56.100 0.021 0.000 0.960 263 R CB -0.205 30.105 30.300 0.017 0.000 0.858 263 R HN 0.133 nan 8.270 nan 0.000 0.439 264 V N 0.896 120.831 119.914 0.035 0.000 2.237 264 V HA -0.308 3.812 4.120 0.000 0.000 0.245 264 V C 2.445 178.572 176.094 0.054 0.000 1.046 264 V CA 1.766 64.094 62.300 0.047 0.000 1.007 264 V CB -0.395 31.460 31.823 0.054 0.000 0.638 264 V HN 0.344 nan 8.190 nan 0.000 0.445 265 M N 0.060 119.687 119.600 0.045 0.000 2.202 265 M HA -0.110 4.370 4.480 0.000 0.000 0.262 265 M C 2.307 178.639 176.300 0.053 0.000 1.063 265 M CA 1.991 57.319 55.300 0.046 0.000 1.097 265 M CB -1.791 30.826 32.600 0.029 0.000 1.382 265 M HN 0.416 nan 8.290 nan 0.000 0.413 266 A N 0.186 123.032 122.820 0.043 0.000 1.898 266 A HA -0.088 4.232 4.320 0.000 0.000 0.216 266 A C 2.341 179.956 177.584 0.052 0.000 1.181 266 A CA 1.200 53.263 52.037 0.042 0.000 0.620 266 A CB -0.826 18.192 19.000 0.030 0.000 0.819 266 A HN 0.475 nan 8.150 nan 0.000 0.442 267 L N -0.515 120.741 121.223 0.054 0.000 2.093 267 L HA -0.128 4.212 4.340 0.000 0.000 0.208 267 L C 2.372 179.293 176.870 0.085 0.000 1.085 267 L CA 0.960 55.834 54.840 0.056 0.000 0.755 267 L CB -0.480 41.608 42.059 0.048 0.000 0.904 267 L HN 0.375 nan 8.230 nan 0.000 0.435 268 I N -0.278 120.363 120.570 0.118 0.000 2.315 268 I HA -0.255 3.915 4.170 0.000 0.000 0.248 268 I C 2.426 178.687 176.117 0.240 0.000 1.117 268 I CA 0.945 62.370 61.300 0.209 0.000 1.404 268 I CB -0.427 37.692 38.000 0.198 0.000 1.071 268 I HN 0.373 nan 8.210 nan 0.000 0.419 269 N N 1.382 120.172 118.700 0.149 0.000 2.109 269 N HA -0.238 4.502 4.740 0.000 0.000 0.188 269 N C 1.825 177.401 175.510 0.110 0.000 1.034 269 N CA 1.580 54.710 53.050 0.132 0.000 0.846 269 N CB -0.080 38.455 38.487 0.079 0.000 1.010 269 N HN 0.364 nan 8.380 nan 0.000 0.425 270 E N -0.153 120.092 120.200 0.075 0.000 2.209 270 E HA -0.133 4.217 4.350 0.000 0.000 0.196 270 E C 1.587 178.208 176.600 0.034 0.000 0.993 270 E CA 1.080 57.508 56.400 0.047 0.000 0.819 270 E CB -0.064 29.656 29.700 0.034 0.000 0.745 270 E HN 0.436 nan 8.360 nan 0.000 0.477 271 A N 0.873 123.720 122.820 0.046 0.000 1.930 271 A HA 0.110 4.430 4.320 0.000 0.000 0.215 271 A C 2.365 179.913 177.584 -0.061 0.000 1.176 271 A CA 1.153 53.179 52.037 -0.018 0.000 0.632 271 A CB -0.521 18.466 19.000 -0.022 0.000 0.819 271 A HN 0.380 nan 8.150 nan 0.000 0.445 272 A N 0.155 123.017 122.820 0.071 0.000 1.978 272 A HA 0.130 4.450 4.320 0.000 0.000 0.220 272 A C 2.430 180.046 177.584 0.052 0.000 1.170 272 A CA 1.966 54.080 52.037 0.128 0.000 0.636 272 A CB -0.912 18.333 19.000 0.407 0.000 0.810 272 A HN 1.038 nan 8.150 nan 0.000 0.448 273 A N 0.806 123.653 122.820 0.045 0.000 1.940 273 A HA -0.187 4.133 4.320 0.000 0.000 0.219 273 A C 2.023 179.604 177.584 -0.005 0.000 1.176 273 A CA 1.516 53.568 52.037 0.026 0.000 0.631 273 A CB -0.460 18.555 19.000 0.025 0.000 0.814 273 A HN 0.701 nan 8.150 nan 0.000 0.446 274 R N -0.662 119.818 120.500 -0.034 0.000 2.449 274 R HA 0.355 4.695 4.340 0.000 0.000 0.262 274 R C 0.732 176.982 176.300 -0.083 0.000 1.006 274 R CA 0.314 56.384 56.100 -0.050 0.000 1.104 274 R CB -0.941 29.329 30.300 -0.050 0.000 1.206 274 R HN 0.649 nan 8.270 nan 0.000 0.538 275 G N 2.517 111.262 108.800 -0.093 0.000 2.363 275 G HA2 -0.263 3.697 3.960 0.000 0.000 0.286 275 G HA3 -0.263 3.697 3.960 0.000 0.000 0.286 275 G C 0.112 174.875 174.900 -0.228 0.000 0.975 275 G CA 0.107 45.131 45.100 -0.126 0.000 1.309 275 G HN 0.417 nan 8.290 nan 0.000 0.491 276 I N -0.634 119.682 120.570 -0.424 0.000 3.378 276 I HA 0.337 4.507 4.170 0.000 0.000 0.284 276 I C 0.657 176.446 176.117 -0.547 0.000 1.157 276 I CA -0.333 60.646 61.300 -0.535 0.000 1.193 276 I CB 0.439 37.920 38.000 -0.865 0.000 1.461 276 I HN 0.065 nan 8.210 nan 0.000 0.674 277 E N 1.392 121.337 120.200 -0.426 0.000 2.183 277 E HA 0.100 4.450 4.350 0.000 0.000 0.250 277 E C -0.027 176.447 176.600 -0.211 0.000 0.901 277 E CA -0.312 55.943 56.400 -0.243 0.000 0.741 277 E CB 0.848 30.479 29.700 -0.115 0.000 1.182 277 E HN 0.513 nan 8.360 nan 0.000 0.425 278 W N 1.651 122.952 121.300 0.001 0.000 2.296 278 W HA -0.257 4.403 4.660 0.000 0.000 0.296 278 W C 2.081 178.601 176.519 0.001 0.000 1.220 278 W CA 1.280 58.626 57.345 0.002 0.000 1.223 278 W CB 0.014 29.476 29.460 0.003 0.000 1.139 278 W HN 0.566 nan 8.180 nan 0.000 0.534 279 E N 0.577 120.880 120.200 0.171 0.000 2.051 279 E HA -0.208 4.142 4.350 0.000 0.000 0.192 279 E C 2.288 178.925 176.600 0.062 0.000 0.991 279 E CA 1.889 58.350 56.400 0.102 0.000 0.799 279 E CB -0.489 29.248 29.700 0.062 0.000 0.748 279 E HN 0.112 nan 8.360 nan 0.000 0.449 280 A N 0.891 123.725 122.820 0.022 0.000 1.940 280 A HA -0.183 4.137 4.320 0.000 0.000 0.219 280 A C 2.280 179.867 177.584 0.005 0.000 1.176 280 A CA 1.457 53.492 52.037 -0.003 0.000 0.631 280 A CB -0.866 18.110 19.000 -0.040 0.000 0.814 280 A HN 0.450 nan 8.150 nan 0.000 0.446 281 L N -0.896 120.333 121.223 0.010 0.000 2.191 281 L HA -0.127 4.213 4.340 0.000 0.000 0.212 281 L C 2.266 179.175 176.870 0.064 0.000 1.103 281 L CA 0.995 55.854 54.840 0.033 0.000 0.769 281 L CB -0.126 41.972 42.059 0.066 0.000 0.908 281 L HN 0.434 nan 8.230 nan 0.000 0.438 282 L N -2.073 119.194 121.223 0.073 0.000 2.102 282 L HA -0.133 4.207 4.340 0.000 0.000 0.202 282 L C 2.372 179.262 176.870 0.033 0.000 1.076 282 L CA 0.532 55.406 54.840 0.057 0.000 0.761 282 L CB -0.343 41.748 42.059 0.054 0.000 0.921 282 L HN 0.013 nan 8.230 nan 0.000 0.444 283 V N -0.184 119.747 119.914 0.028 0.000 2.233 283 V HA -0.278 3.842 4.120 0.000 0.000 0.247 283 V C 2.519 178.637 176.094 0.040 0.000 1.050 283 V CA 1.753 64.068 62.300 0.024 0.000 1.010 283 V CB -0.528 31.305 31.823 0.017 0.000 0.637 283 V HN 0.436 nan 8.190 nan 0.000 0.444 284 E N -0.555 119.666 120.200 0.034 0.000 2.160 284 E HA -0.203 4.147 4.350 0.000 0.000 0.195 284 E C 2.114 178.748 176.600 0.057 0.000 0.991 284 E CA 1.333 57.757 56.400 0.040 0.000 0.810 284 E CB -0.327 29.386 29.700 0.023 0.000 0.742 284 E HN 0.565 nan 8.360 nan 0.000 0.466 285 M N -0.121 119.513 119.600 0.058 0.000 2.200 285 M HA -0.075 4.405 4.480 0.000 0.000 0.265 285 M C 2.318 178.683 176.300 0.109 0.000 1.066 285 M CA 0.852 56.193 55.300 0.069 0.000 1.127 285 M CB -0.159 32.478 32.600 0.061 0.000 1.379 285 M HN 0.074 nan 8.290 nan 0.000 0.420 286 L N -0.599 120.691 121.223 0.112 0.000 1.976 286 L HA -0.129 4.211 4.340 0.000 0.000 0.209 286 L C 2.681 179.741 176.870 0.317 0.000 1.071 286 L CA 1.574 56.539 54.840 0.208 0.000 0.746 286 L CB -1.318 40.785 42.059 0.072 0.000 0.890 286 L HN 0.366 nan 8.230 nan 0.000 0.432 287 G N -0.178 108.743 108.800 0.201 0.000 2.442 287 G HA2 -0.233 3.727 3.960 0.000 0.000 0.219 287 G HA3 -0.233 3.727 3.960 0.000 0.000 0.219 287 G C 1.654 176.673 174.900 0.197 0.000 1.141 287 G CA 0.674 45.889 45.100 0.192 0.000 0.763 287 G HN 0.217 nan 8.290 nan 0.000 0.554 288 L N -0.265 121.040 121.223 0.136 0.000 2.046 288 L HA -0.007 4.333 4.340 0.000 0.000 0.208 288 L C 2.897 179.824 176.870 0.095 0.000 1.077 288 L CA 0.594 55.490 54.840 0.093 0.000 0.747 288 L CB -0.279 41.816 42.059 0.060 0.000 0.896 288 L HN 0.201 nan 8.230 nan 0.000 0.432 289 L N -1.159 120.150 121.223 0.144 0.000 2.141 289 L HA -0.248 4.092 4.340 0.000 0.000 0.209 289 L C 2.605 179.531 176.870 0.094 0.000 1.094 289 L CA 1.050 55.973 54.840 0.138 0.000 0.763 289 L CB -0.581 41.627 42.059 0.249 0.000 0.908 289 L HN 0.361 nan 8.230 nan 0.000 0.437 290 H N 0.274 119.350 119.070 0.010 0.000 2.293 290 H HA -0.138 4.418 4.556 0.000 0.000 0.300 290 H C 2.428 177.722 175.328 -0.058 0.000 1.082 290 H CA 1.712 57.699 56.048 -0.103 0.000 1.308 290 H CB 0.059 29.780 29.762 -0.068 0.000 1.375 290 H HN 0.020 nan 8.280 nan 0.000 0.495 291 R N -0.164 120.271 120.500 -0.109 0.000 2.105 291 R HA -0.093 4.247 4.340 0.000 0.000 0.239 291 R C 2.446 178.659 176.300 -0.146 0.000 1.135 291 R CA 1.656 57.648 56.100 -0.181 0.000 0.967 291 R CB -0.233 30.043 30.300 -0.041 0.000 0.861 291 R HN 0.448 nan 8.270 nan 0.000 0.442 292 I N 0.106 120.628 120.570 -0.080 0.000 2.394 292 I HA -0.220 3.950 4.170 0.000 0.000 0.251 292 I C 2.501 178.570 176.117 -0.080 0.000 1.136 292 I CA 1.016 62.280 61.300 -0.060 0.000 1.425 292 I CB -0.344 37.640 38.000 -0.027 0.000 1.079 292 I HN 0.168 nan 8.210 nan 0.000 0.425 293 A N 0.881 123.632 122.820 -0.115 0.000 1.898 293 A HA -0.151 4.169 4.320 0.000 0.000 0.216 293 A C 2.397 179.897 177.584 -0.140 0.000 1.181 293 A CA 1.205 53.172 52.037 -0.117 0.000 0.620 293 A CB -0.347 18.570 19.000 -0.138 0.000 0.819 293 A HN 0.230 nan 8.150 nan 0.000 0.442 294 M N -0.381 119.088 119.600 -0.218 0.000 2.086 294 M HA -0.105 4.375 4.480 0.000 0.000 0.261 294 M C 2.163 178.395 176.300 -0.114 0.000 1.067 294 M CA 1.307 56.492 55.300 -0.191 0.000 1.116 294 M CB -1.196 31.240 32.600 -0.272 0.000 1.348 294 M HN 0.228 nan 8.290 nan 0.000 0.407 295 V N 0.597 120.450 119.914 -0.102 0.000 2.688 295 V HA -0.252 3.868 4.120 0.000 0.000 0.256 295 V C 2.102 178.167 176.094 -0.048 0.000 1.084 295 V CA 1.479 63.740 62.300 -0.064 0.000 1.103 295 V CB -0.933 30.858 31.823 -0.053 0.000 0.688 295 V HN 0.565 nan 8.190 nan 0.000 0.480 296 Q N -1.220 118.549 119.800 -0.051 0.000 2.432 296 Q HA 0.015 4.355 4.340 0.000 0.000 0.205 296 Q C 1.885 177.865 176.000 -0.033 0.000 0.945 296 Q CA 0.545 56.327 55.803 -0.035 0.000 0.924 296 Q CB 0.135 28.854 28.738 -0.030 0.000 1.016 296 Q HN 0.513 nan 8.270 nan 0.000 0.503 297 L N -0.278 120.920 121.223 -0.043 0.000 2.265 297 L HA 0.109 4.449 4.340 0.000 0.000 0.195 297 L C 0.413 177.264 176.870 -0.031 0.000 1.083 297 L CA 1.005 55.823 54.840 -0.037 0.000 0.798 297 L CB 0.477 42.509 42.059 -0.044 0.000 0.989 297 L HN -0.019 nan 8.230 nan 0.000 0.472 298 S N -0.141 115.537 115.700 -0.037 0.000 2.718 298 S HA 0.439 4.909 4.470 0.000 0.000 0.294 298 S C -1.900 172.682 174.600 -0.030 0.000 1.157 298 S CA -1.240 56.943 58.200 -0.029 0.000 1.121 298 S CB 0.946 64.130 63.200 -0.027 0.000 1.015 298 S HN 0.187 nan 8.310 nan 0.000 0.479 299 P HA -0.124 nan 4.420 nan 0.000 0.227 299 P C 1.028 178.317 177.300 -0.019 0.000 1.145 299 P CA 1.075 64.162 63.100 -0.021 0.000 0.769 299 P CB -0.056 31.634 31.700 -0.015 0.000 0.769 300 A N -0.361 122.447 122.820 -0.019 0.000 2.251 300 A HA 0.384 4.704 4.320 0.000 0.000 0.209 300 A C 2.324 179.898 177.584 -0.018 0.000 1.187 300 A CA 0.697 52.725 52.037 -0.015 0.000 0.823 300 A CB -0.785 18.208 19.000 -0.012 0.000 0.846 300 A HN 0.199 nan 8.150 nan 0.000 0.486 301 A N 0.294 123.097 122.820 -0.028 0.000 1.948 301 A HA 0.000 4.320 4.320 0.000 0.000 0.220 301 A C 1.122 178.689 177.584 -0.027 0.000 1.177 301 A CA 0.598 52.614 52.037 -0.035 0.000 0.636 301 A CB -0.684 18.279 19.000 -0.062 0.000 0.815 301 A HN 0.495 nan 8.150 nan 0.000 0.449 302 L N 0.140 121.349 121.223 -0.023 0.000 2.559 302 L HA 0.200 4.540 4.340 0.000 0.000 0.282 302 L C 1.309 178.177 176.870 -0.002 0.000 1.232 302 L CA -0.146 54.686 54.840 -0.013 0.000 0.885 302 L CB -0.067 41.986 42.059 -0.010 0.000 1.131 302 L HN 0.360 nan 8.230 nan 0.000 0.498 303 G N 1.403 110.206 108.800 0.005 0.000 2.616 303 G HA2 -0.022 3.938 3.960 0.000 0.000 0.268 303 G HA3 -0.022 3.938 3.960 0.000 0.000 0.268 303 G C 0.720 175.627 174.900 0.012 0.000 1.213 303 G CA -0.424 44.684 45.100 0.012 0.000 0.926 303 G HN 0.789 nan 8.290 nan 0.000 0.523 304 N N -0.575 118.135 118.700 0.016 0.000 2.106 304 N HA -0.130 4.610 4.740 0.000 0.000 0.188 304 N C 1.357 176.875 175.510 0.014 0.000 1.029 304 N CA 1.183 54.242 53.050 0.015 0.000 0.848 304 N CB 0.033 38.532 38.487 0.020 0.000 1.007 304 N HN 0.502 nan 8.380 nan 0.000 0.423 305 D N 0.242 120.653 120.400 0.018 0.000 2.363 305 D HA 0.006 4.646 4.640 0.000 0.000 0.220 305 D C 1.710 178.017 176.300 0.012 0.000 0.994 305 D CA 0.111 54.120 54.000 0.016 0.000 0.890 305 D CB 0.036 40.849 40.800 0.022 0.000 0.906 305 D HN 0.196 nan 8.370 nan 0.000 0.530 306 M N -0.056 119.551 119.600 0.012 0.000 2.446 306 M HA -0.040 4.440 4.480 0.000 0.000 0.263 306 M C 2.097 178.400 176.300 0.005 0.000 1.066 306 M CA 0.369 55.674 55.300 0.009 0.000 1.087 306 M CB -0.848 31.757 32.600 0.008 0.000 1.406 306 M HN 0.026 nan 8.290 nan 0.000 0.459 307 A N 0.733 123.555 122.820 0.004 0.000 1.997 307 A HA -0.160 4.160 4.320 0.000 0.000 0.221 307 A C 2.453 180.037 177.584 0.001 0.000 1.172 307 A CA 2.175 54.213 52.037 0.002 0.000 0.645 307 A CB -0.767 18.233 19.000 0.001 0.000 0.813 307 A HN 0.511 nan 8.150 nan 0.000 0.454 308 A N 0.085 122.905 122.820 0.001 0.000 1.933 308 A HA -0.047 4.273 4.320 0.000 0.000 0.218 308 A C 2.034 179.618 177.584 0.001 0.000 1.175 308 A CA 1.561 53.598 52.037 0.000 0.000 0.628 308 A CB -0.530 18.470 19.000 0.001 0.000 0.814 308 A HN 1.199 nan 8.150 nan 0.000 0.444 309 I N -2.843 117.728 120.570 0.002 0.000 3.956 309 I HA 0.241 4.411 4.170 0.000 0.000 0.333 309 I C 1.476 177.593 176.117 -0.000 0.000 1.302 309 I CA 0.862 62.163 61.300 0.001 0.000 1.122 309 I CB -0.002 38.000 38.000 0.003 0.000 1.013 309 I HN 0.385 nan 8.210 nan 0.000 0.405 310 E N 1.441 121.641 120.200 -0.001 0.000 2.130 310 E HA -0.284 4.066 4.350 0.000 0.000 0.196 310 E C 2.066 178.664 176.600 -0.003 0.000 0.998 310 E CA 1.907 58.306 56.400 -0.002 0.000 0.806 310 E CB -0.072 29.627 29.700 -0.002 0.000 0.738 310 E HN 0.626 nan 8.360 nan 0.000 0.459 311 L N 0.723 121.944 121.223 -0.002 0.000 2.056 311 L HA -0.084 4.256 4.340 0.000 0.000 0.207 311 L C 2.303 179.171 176.870 -0.003 0.000 1.078 311 L CA 1.648 56.486 54.840 -0.002 0.000 0.749 311 L CB -0.179 41.879 42.059 -0.002 0.000 0.901 311 L HN -0.014 nan 8.230 nan 0.000 0.433 312 R N -1.717 118.781 120.500 -0.003 0.000 2.073 312 R HA -0.047 4.293 4.340 0.000 0.000 0.229 312 R C 2.195 178.492 176.300 -0.006 0.000 1.120 312 R CA 1.461 57.559 56.100 -0.004 0.000 0.967 312 R CB -0.319 29.980 30.300 -0.003 0.000 0.862 312 R HN 0.262 nan 8.270 nan 0.000 0.436 313 M N 0.418 120.014 119.600 -0.006 0.000 2.108 313 M HA -0.188 4.292 4.480 0.000 0.000 0.261 313 M C 2.049 178.342 176.300 -0.011 0.000 1.066 313 M CA 1.736 57.031 55.300 -0.009 0.000 1.107 313 M CB -0.763 31.832 32.600 -0.008 0.000 1.356 313 M HN 0.114 nan 8.290 nan 0.000 0.406 314 R N -0.468 120.026 120.500 -0.009 0.000 2.115 314 R HA -0.169 4.171 4.340 0.000 0.000 0.230 314 R C 2.125 178.421 176.300 -0.007 0.000 1.111 314 R CA 1.267 57.361 56.100 -0.010 0.000 0.976 314 R CB -0.215 30.080 30.300 -0.008 0.000 0.870 314 R HN 0.332 nan 8.270 nan 0.000 0.445 315 E N 1.179 121.376 120.200 -0.005 0.000 2.028 315 E HA -0.134 4.216 4.350 0.000 0.000 0.191 315 E C 1.884 178.483 176.600 -0.002 0.000 0.988 315 E CA 1.165 57.563 56.400 -0.002 0.000 0.799 315 E CB -0.239 29.460 29.700 -0.001 0.000 0.755 315 E HN 0.176 nan 8.360 nan 0.000 0.447 316 L N 0.266 121.486 121.223 -0.006 0.000 1.990 316 L HA -0.281 4.059 4.340 0.000 0.000 0.213 316 L C 2.595 179.463 176.870 -0.004 0.000 1.072 316 L CA 1.433 56.268 54.840 -0.007 0.000 0.755 316 L CB -0.905 41.142 42.059 -0.020 0.000 0.889 316 L HN 0.257 nan 8.230 nan 0.000 0.432 317 A N 1.192 124.007 122.820 -0.009 0.000 1.929 317 A HA -0.316 4.004 4.320 0.000 0.000 0.221 317 A C 2.283 179.864 177.584 -0.004 0.000 1.211 317 A CA 2.812 54.843 52.037 -0.010 0.000 0.657 317 A CB -0.714 18.276 19.000 -0.017 0.000 0.827 317 A HN 0.637 nan 8.150 nan 0.000 0.462 318 R N -0.883 119.616 120.500 -0.001 0.000 2.210 318 R HA 0.025 4.365 4.340 0.000 0.000 0.203 318 R C 1.746 178.052 176.300 0.009 0.000 1.010 318 R CA 1.680 57.782 56.100 0.002 0.000 1.008 318 R CB -0.979 29.322 30.300 0.001 0.000 0.923 318 R HN 0.490 nan 8.270 nan 0.000 0.469 319 T N -1.507 113.054 114.554 0.012 0.000 3.044 319 T HA 0.280 4.630 4.350 0.000 0.000 0.255 319 T C 0.858 175.577 174.700 0.031 0.000 1.073 319 T CA 0.006 62.118 62.100 0.020 0.000 1.125 319 T CB -0.043 68.837 68.868 0.020 0.000 0.908 319 T HN 0.111 nan 8.240 nan 0.000 0.480 320 I N 2.862 123.450 120.570 0.031 0.000 2.321 320 I HA 0.375 4.545 4.170 0.000 0.000 0.291 320 I C -2.661 173.484 176.117 0.048 0.000 0.998 320 I CA -2.959 58.370 61.300 0.049 0.000 1.227 320 I CB 1.524 39.553 38.000 0.048 0.000 1.368 320 I HN -0.121 nan 8.210 nan 0.000 0.466 321 P HA 0.016 nan 4.420 nan 0.000 0.264 321 P C -1.802 175.524 177.300 0.043 0.000 1.193 321 P CA -0.885 62.238 63.100 0.039 0.000 0.763 321 P CB 0.122 31.844 31.700 0.036 0.000 0.810 322 P HA -0.201 nan 4.420 nan 0.000 0.218 322 P C 1.205 178.520 177.300 0.025 0.000 1.146 322 P CA 1.674 64.787 63.100 0.022 0.000 0.813 322 P CB -0.188 31.513 31.700 0.003 0.000 0.778 323 T N 0.264 114.827 114.554 0.015 0.000 2.674 323 T HA -0.132 4.218 4.350 0.000 0.000 0.265 323 T C 1.373 176.070 174.700 -0.005 0.000 1.039 323 T CA 2.011 64.112 62.100 0.001 0.000 1.150 323 T CB -0.869 67.996 68.868 -0.006 0.000 0.864 323 T HN 0.130 nan 8.240 nan 0.000 0.427 324 D N 0.924 121.327 120.400 0.005 0.000 2.104 324 D HA -0.033 4.607 4.640 0.000 0.000 0.194 324 D C 2.009 178.371 176.300 0.103 0.000 0.994 324 D CA 0.797 54.781 54.000 -0.027 0.000 0.830 324 D CB -0.453 40.395 40.800 0.079 0.000 0.959 324 D HN 0.358 nan 8.370 nan 0.000 0.452 325 I N 0.639 121.333 120.570 0.208 0.000 2.454 325 I HA -0.240 3.930 4.170 0.000 0.000 0.254 325 I C 2.259 178.502 176.117 0.210 0.000 1.156 325 I CA 0.842 62.308 61.300 0.276 0.000 1.433 325 I CB -0.079 38.002 38.000 0.134 0.000 1.082 325 I HN 0.009 nan 8.210 nan 0.000 0.432 326 Q N 0.183 120.046 119.800 0.106 0.000 2.123 326 Q HA -0.157 4.183 4.340 0.000 0.000 0.199 326 Q C 2.210 178.270 176.000 0.100 0.000 0.966 326 Q CA 1.237 57.097 55.803 0.095 0.000 0.845 326 Q CB -0.349 28.412 28.738 0.039 0.000 0.907 326 Q HN 0.474 nan 8.270 nan 0.000 0.439 327 L N -0.581 120.635 121.223 -0.012 0.000 1.994 327 L HA -0.155 4.185 4.340 0.000 0.000 0.208 327 L C 1.971 178.800 176.870 -0.068 0.000 1.071 327 L CA 1.856 56.626 54.840 -0.116 0.000 0.745 327 L CB -1.404 40.492 42.059 -0.271 0.000 0.892 327 L HN 0.030 nan 8.230 nan 0.000 0.431 328 Y N -1.160 119.165 120.300 0.042 0.000 2.165 328 Y HA -0.281 4.269 4.550 0.000 0.000 0.286 328 Y C 2.644 178.598 175.900 0.089 0.000 1.155 328 Y CA 2.375 60.507 58.100 0.054 0.000 1.164 328 Y CB -1.245 37.248 38.460 0.054 0.000 0.978 328 Y HN 0.349 nan 8.280 nan 0.000 0.513 329 Y N 0.737 121.137 120.300 0.167 0.000 2.242 329 Y HA -0.272 4.278 4.550 0.000 0.000 0.291 329 Y C 2.593 178.528 175.900 0.059 0.000 1.137 329 Y CA 1.883 60.045 58.100 0.104 0.000 1.181 329 Y CB -0.381 38.134 38.460 0.091 0.000 0.989 329 Y HN 0.214 nan 8.280 nan 0.000 0.527 330 Q N -0.746 119.111 119.800 0.095 0.000 2.049 330 Q HA -0.145 4.195 4.340 0.000 0.000 0.198 330 Q C 2.040 177.994 176.000 -0.075 0.000 0.971 330 Q CA 2.272 58.067 55.803 -0.013 0.000 0.833 330 Q CB -0.162 28.588 28.738 0.020 0.000 0.896 330 Q HN 0.434 nan 8.270 nan 0.000 0.434 331 T N 1.591 116.117 114.554 -0.047 0.000 2.635 331 T HA -0.189 4.161 4.350 0.000 0.000 0.267 331 T C 1.740 176.419 174.700 -0.035 0.000 1.040 331 T CA 1.548 63.622 62.100 -0.043 0.000 1.156 331 T CB -0.327 68.542 68.868 0.002 0.000 0.863 331 T HN 0.260 nan 8.240 nan 0.000 0.430 332 L N -0.017 121.188 121.223 -0.031 0.000 2.201 332 L HA -0.001 4.339 4.340 0.000 0.000 0.212 332 L C 2.405 179.203 176.870 -0.119 0.000 1.105 332 L CA 0.586 55.397 54.840 -0.048 0.000 0.775 332 L CB -0.460 41.584 42.059 -0.025 0.000 0.913 332 L HN 0.206 nan 8.230 nan 0.000 0.440 333 L N -0.020 121.073 121.223 -0.216 0.000 2.049 333 L HA -0.116 4.224 4.340 0.000 0.000 0.203 333 L C 2.347 179.152 176.870 -0.108 0.000 1.074 333 L CA 1.450 56.155 54.840 -0.225 0.000 0.749 333 L CB -0.178 41.685 42.059 -0.328 0.000 0.907 333 L HN 0.008 nan 8.230 nan 0.000 0.439 334 I N -0.107 120.408 120.570 -0.091 0.000 2.236 334 I HA -0.314 3.856 4.170 0.000 0.000 0.249 334 I C 2.322 178.422 176.117 -0.028 0.000 1.102 334 I CA 1.544 62.812 61.300 -0.054 0.000 1.365 334 I CB -0.895 37.068 38.000 -0.062 0.000 1.051 334 I HN 0.488 nan 8.210 nan 0.000 0.420 335 G N -0.071 108.713 108.800 -0.027 0.000 2.470 335 G HA2 -0.254 3.706 3.960 0.000 0.000 0.220 335 G HA3 -0.254 3.706 3.960 0.000 0.000 0.220 335 G C 1.759 176.667 174.900 0.013 0.000 1.121 335 G CA 0.448 45.549 45.100 0.001 0.000 0.766 335 G HN 0.322 nan 8.290 nan 0.000 0.553 336 R N 0.308 120.805 120.500 -0.005 0.000 2.127 336 R HA 0.104 4.444 4.340 0.000 0.000 0.217 336 R C 2.361 178.680 176.300 0.032 0.000 1.074 336 R CA 0.807 56.913 56.100 0.009 0.000 0.991 336 R CB -0.128 30.162 30.300 -0.017 0.000 0.895 336 R HN 0.242 nan 8.270 nan 0.000 0.450 337 K N 0.468 120.886 120.400 0.030 0.000 2.026 337 K HA -0.159 4.161 4.320 0.000 0.000 0.208 337 K C 1.898 178.583 176.600 0.142 0.000 1.048 337 K CA 1.907 58.233 56.287 0.066 0.000 0.929 337 K CB -0.045 32.475 32.500 0.033 0.000 0.713 337 K HN 0.337 nan 8.250 nan 0.000 0.439 338 E N 1.059 121.327 120.200 0.113 0.000 2.031 338 E HA -0.220 4.130 4.350 0.000 0.000 0.193 338 E C 2.007 178.720 176.600 0.188 0.000 0.994 338 E CA 0.825 57.325 56.400 0.166 0.000 0.800 338 E CB -0.321 29.427 29.700 0.079 0.000 0.752 338 E HN 0.069 nan 8.360 nan 0.000 0.447 339 L N 1.418 122.698 121.223 0.094 0.000 2.223 339 L HA -0.252 4.088 4.340 0.000 0.000 0.230 339 L C -0.907 175.966 176.870 0.004 0.000 1.110 339 L CA 2.425 57.295 54.840 0.049 0.000 0.834 339 L CB -1.225 40.859 42.059 0.042 0.000 0.915 339 L HN 0.118 nan 8.230 nan 0.000 0.450 340 P HA -0.073 nan 4.420 nan 0.000 0.231 340 P C 0.755 177.861 177.300 -0.323 0.000 1.168 340 P CA 1.241 64.194 63.100 -0.244 0.000 0.779 340 P CB -0.051 31.398 31.700 -0.417 0.000 0.844 341 Y N -0.698 119.601 120.300 -0.003 0.000 2.497 341 Y HA 0.358 4.908 4.550 0.000 0.000 0.265 341 Y C 1.500 177.393 175.900 -0.010 0.000 1.111 341 Y CA -0.460 57.636 58.100 -0.005 0.000 1.288 341 Y CB -0.701 37.755 38.460 -0.005 0.000 1.082 341 Y HN -0.182 nan 8.280 nan 0.000 0.536 342 A N 2.363 125.248 122.820 0.108 0.000 2.483 342 A HA 0.067 4.387 4.320 0.000 0.000 0.238 342 A C -0.955 176.639 177.584 0.016 0.000 1.070 342 A CA -0.901 51.165 52.037 0.048 0.000 0.770 342 A CB -0.191 18.817 19.000 0.013 0.000 1.008 342 A HN 0.168 nan 8.150 nan 0.000 0.497 343 P HA -0.096 nan 4.420 nan 0.000 0.219 343 P C -0.016 177.267 177.300 -0.028 0.000 1.146 343 P CA 1.887 64.982 63.100 -0.008 0.000 0.808 343 P CB -0.037 31.656 31.700 -0.012 0.000 0.779 344 D N -2.444 117.926 120.400 -0.051 0.000 2.937 344 D HA 0.160 4.801 4.640 0.000 0.000 0.215 344 D C 1.156 177.383 176.300 -0.121 0.000 1.274 344 D CA -0.739 53.214 54.000 -0.079 0.000 0.869 344 D CB 1.278 42.023 40.800 -0.092 0.000 1.675 344 D HN -0.387 nan 8.370 nan 0.000 0.538 345 R N 1.889 122.325 120.500 -0.106 0.000 2.096 345 R HA -0.171 4.169 4.340 0.000 0.000 0.240 345 R C 1.994 178.084 176.300 -0.350 0.000 1.139 345 R CA 1.462 57.495 56.100 -0.112 0.000 0.952 345 R CB -0.227 30.096 30.300 0.038 0.000 0.854 345 R HN 0.510 nan 8.270 nan 0.000 0.436 346 R N 0.499 120.565 120.500 -0.723 0.000 2.152 346 R HA -0.089 4.251 4.340 0.000 0.000 0.232 346 R C 2.231 178.105 176.300 -0.710 0.000 1.117 346 R CA 1.312 56.591 56.100 -1.369 0.000 0.981 346 R CB -0.081 29.431 30.300 -1.313 0.000 0.870 346 R HN 0.219 nan 8.270 nan 0.000 0.451 347 M N -0.588 118.778 119.600 -0.391 0.000 2.193 347 M HA -0.009 4.471 4.480 0.000 0.000 0.265 347 M C 2.034 178.242 176.300 -0.153 0.000 1.071 347 M CA 1.694 56.857 55.300 -0.228 0.000 1.140 347 M CB -0.178 32.333 32.600 -0.148 0.000 1.369 347 M HN 0.366 nan 8.290 nan 0.000 0.423 348 G N -0.166 108.560 108.800 -0.124 0.000 2.469 348 G HA2 -0.218 3.742 3.960 0.000 0.000 0.219 348 G HA3 -0.218 3.742 3.960 0.000 0.000 0.219 348 G C 1.257 176.131 174.900 -0.042 0.000 1.150 348 G CA 1.346 46.414 45.100 -0.053 0.000 0.763 348 G HN 0.410 nan 8.290 nan 0.000 0.561 349 V N 0.668 120.539 119.914 -0.073 0.000 2.515 349 V HA -0.142 3.978 4.120 0.000 0.000 0.250 349 V C 2.574 178.659 176.094 -0.015 0.000 1.058 349 V CA 2.080 64.376 62.300 -0.007 0.000 1.064 349 V CB -0.493 31.371 31.823 0.069 0.000 0.675 349 V HN 0.485 nan 8.190 nan 0.000 0.461 350 E N -0.320 119.830 120.200 -0.083 0.000 2.107 350 E HA -0.194 4.156 4.350 0.000 0.000 0.191 350 E C 2.092 178.687 176.600 -0.008 0.000 0.982 350 E CA 1.306 57.677 56.400 -0.048 0.000 0.809 350 E CB -0.196 29.448 29.700 -0.092 0.000 0.756 350 E HN 0.475 nan 8.360 nan 0.000 0.459 351 M N 0.701 120.292 119.600 -0.015 0.000 2.200 351 M HA -0.087 4.393 4.480 0.000 0.000 0.265 351 M C 2.096 178.420 176.300 0.040 0.000 1.066 351 M CA 1.537 56.844 55.300 0.012 0.000 1.127 351 M CB -0.171 32.430 32.600 0.003 0.000 1.379 351 M HN -0.096 nan 8.290 nan 0.000 0.420 352 T N 0.626 115.202 114.554 0.036 0.000 2.759 352 T HA -0.123 4.227 4.350 0.000 0.000 0.269 352 T C 1.745 176.492 174.700 0.078 0.000 1.042 352 T CA 1.576 63.707 62.100 0.051 0.000 1.140 352 T CB -0.348 68.545 68.868 0.042 0.000 0.864 352 T HN 0.355 nan 8.240 nan 0.000 0.455 353 L N 0.067 121.336 121.223 0.077 0.000 2.095 353 L HA 0.143 4.483 4.340 0.000 0.000 0.204 353 L C 2.294 179.228 176.870 0.108 0.000 1.080 353 L CA 0.755 55.655 54.840 0.099 0.000 0.759 353 L CB -0.337 41.774 42.059 0.086 0.000 0.914 353 L HN 0.211 nan 8.230 nan 0.000 0.439 354 L N -0.567 120.704 121.223 0.080 0.000 2.353 354 L HA -0.204 4.136 4.340 0.000 0.000 0.220 354 L C 2.662 179.593 176.870 0.102 0.000 1.133 354 L CA 0.881 55.764 54.840 0.073 0.000 0.798 354 L CB -0.395 41.689 42.059 0.042 0.000 0.922 354 L HN 0.269 nan 8.230 nan 0.000 0.445 355 R N -0.203 120.384 120.500 0.146 0.000 2.057 355 R HA -0.038 4.302 4.340 0.000 0.000 0.224 355 R C 2.453 178.940 176.300 0.312 0.000 1.136 355 R CA 1.081 57.335 56.100 0.256 0.000 0.968 355 R CB -0.206 30.231 30.300 0.228 0.000 0.863 355 R HN 0.287 nan 8.270 nan 0.000 0.433 356 A N 1.060 124.017 122.820 0.228 0.000 1.948 356 A HA -0.188 4.132 4.320 0.000 0.000 0.220 356 A C 1.925 179.679 177.584 0.283 0.000 1.177 356 A CA 1.248 53.431 52.037 0.243 0.000 0.636 356 A CB -0.432 18.732 19.000 0.274 0.000 0.815 356 A HN 0.193 nan 8.150 nan 0.000 0.449 357 L N -0.865 120.497 121.223 0.231 0.000 2.072 357 L HA -0.001 4.339 4.340 0.000 0.000 0.205 357 L C 2.894 179.843 176.870 0.131 0.000 1.079 357 L CA 1.843 56.800 54.840 0.196 0.000 0.752 357 L CB -1.153 40.975 42.059 0.114 0.000 0.906 357 L HN 0.393 nan 8.230 nan 0.000 0.436 358 A N -2.069 120.788 122.820 0.061 0.000 2.014 358 A HA -0.092 4.228 4.320 0.000 0.000 0.218 358 A C 1.612 179.060 177.584 -0.226 0.000 1.163 358 A CA 0.956 52.917 52.037 -0.126 0.000 0.652 358 A CB -0.593 18.252 19.000 -0.258 0.000 0.808 358 A HN 0.364 nan 8.150 nan 0.000 0.449 359 F N -0.903 119.078 119.950 0.052 0.000 2.684 359 F HA 0.221 4.748 4.527 0.000 0.000 0.298 359 F C 0.685 176.491 175.800 0.010 0.000 1.120 359 F CA -0.633 57.377 58.000 0.016 0.000 1.332 359 F CB -0.255 38.732 39.000 -0.023 0.000 0.986 359 F HN 0.309 nan 8.300 nan 0.000 0.524 360 H N 3.342 122.474 119.070 0.104 0.000 2.964 360 H HA 0.036 4.592 4.556 0.000 0.000 0.328 360 H C -1.342 174.011 175.328 0.042 0.000 1.030 360 H CA -1.156 54.936 56.048 0.073 0.000 1.445 360 H CB 1.076 30.906 29.762 0.113 0.000 1.449 360 H HN -0.070 nan 8.280 nan 0.000 0.581 361 P HA -0.139 nan 4.420 nan 0.000 0.217 361 P C 0.910 178.291 177.300 0.135 0.000 1.151 361 P CA 1.066 64.157 63.100 -0.016 0.000 0.828 361 P CB 0.512 32.124 31.700 -0.146 0.000 0.788 362 R N -1.113 119.583 120.500 0.326 0.000 2.223 362 R HA 0.355 4.695 4.340 0.000 0.000 0.198 362 R C 1.000 177.430 176.300 0.217 0.000 0.984 362 R CA 0.391 56.656 56.100 0.275 0.000 1.018 362 R CB -0.214 30.260 30.300 0.290 0.000 0.945 362 R HN 0.345 nan 8.270 nan 0.000 0.479 363 M N -0.071 119.689 119.600 0.266 0.000 2.389 363 M HA 0.333 4.813 4.480 0.000 0.000 0.291 363 M C -2.851 173.449 176.300 0.001 0.000 1.128 363 M CA -1.455 53.863 55.300 0.030 0.000 0.942 363 M CB 3.867 36.405 32.600 -0.102 0.000 1.783 363 M HN -0.183 nan 8.290 nan 0.000 0.501 364 P HA 0.563 nan 4.420 nan 0.000 0.300 364 P C -1.602 175.676 177.300 -0.035 0.000 1.233 364 P CA -0.819 62.287 63.100 0.010 0.000 1.182 364 P CB 1.584 33.300 31.700 0.028 0.000 1.704 365 L N 1.753 122.947 121.223 -0.048 0.000 2.513 365 L HA 0.248 4.588 4.340 0.000 0.000 0.272 365 L C -1.296 175.537 176.870 -0.062 0.000 1.187 365 L CA -0.989 53.817 54.840 -0.056 0.000 0.895 365 L CB -0.544 41.477 42.059 -0.063 0.000 1.147 365 L HN 0.300 nan 8.230 nan 0.000 0.483 366 P HA 0.454 nan 4.420 nan 0.000 0.280 366 P C -0.897 176.379 177.300 -0.039 0.000 1.272 366 P CA -0.569 62.507 63.100 -0.040 0.000 0.819 366 P CB 1.927 33.610 31.700 -0.030 0.000 1.122 367 E N -0.354 119.827 120.200 -0.033 0.000 2.401 367 E HA 0.404 4.754 4.350 0.000 0.000 0.280 367 E C -2.115 174.472 176.600 -0.022 0.000 1.039 367 E CA -0.984 55.399 56.400 -0.029 0.000 0.814 367 E CB 1.545 31.224 29.700 -0.035 0.000 1.275 367 E HN 0.587 nan 8.360 nan 0.000 0.448 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.092 63.100 -0.014 0.000 0.800 368 P CB 0.000 31.693 31.700 -0.012 0.000 0.726