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 3glh_1_N DATA FIRST_RESID 4 DATA SEQUENCE QVLARKWRPQ TFADVVGQEH VLTALANGLS LGRIHHAYLF SGTRGVGKTS DATA SEQUENCE IARLLAKGLN CETGITATPC GVCDNCREIE QGRFVDLIEI DAASRTKVED DATA SEQUENCE TRDLLDNVQY APARGRFKVY LIDEVHMLSR HSFNALLKTL EEPPEHVKFL DATA SEQUENCE LATTDPQKLP VTILSRCLQF HLKXLDVEQI RHQLEHILNE EHIAHEPRAL DATA SEQUENCE QLLARAAEGS LRDALSLTDQ AIASGDGQVS TQAVSAMLXT LDDDQALSLV DATA SEQUENCE EAMVEANGER VMALINEAAA RGIEWEALLV EMLGLLHRIA MVQLSPAALG DATA SEQUENCE NDMAAIELRM RELARTIPPT DIQLYYQTLL IGRKELPYAP DRRMGVEMTL DATA SEQUENCE LRALAFHPRM PLPEP 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.031 176.000 0.051 0.000 1.003 4 Q CA 0.000 55.826 55.803 0.039 0.000 1.022 4 Q CB 0.000 28.763 28.738 0.042 0.000 1.108 5 V N 2.886 122.835 119.914 0.058 0.000 2.495 5 V HA 0.457 4.577 4.120 0.000 0.000 0.298 5 V C 0.139 176.290 176.094 0.095 0.000 1.031 5 V CA -0.812 61.523 62.300 0.059 0.000 0.871 5 V CB 1.633 33.481 31.823 0.042 0.000 0.988 5 V HN 0.603 nan 8.190 nan 0.000 0.432 6 L N 4.422 125.699 121.223 0.090 0.000 2.395 6 L HA 0.629 4.969 4.340 0.000 0.000 0.268 6 L C 0.791 177.708 176.870 0.079 0.000 1.223 6 L CA 0.464 55.380 54.840 0.127 0.000 1.093 6 L CB -0.560 41.495 42.059 -0.007 0.000 1.349 6 L HN 0.823 nan 8.230 nan 0.000 0.427 7 A N 1.376 124.264 122.820 0.113 0.000 1.429 7 A HA 0.091 4.411 4.320 0.000 0.000 0.212 7 A C 1.863 179.504 177.584 0.095 0.000 1.863 7 A CA 0.030 52.112 52.037 0.075 0.000 1.494 7 A CB -0.103 18.923 19.000 0.043 0.000 1.413 7 A HN 0.492 nan 8.150 nan 0.000 0.338 8 R N 1.265 121.816 120.500 0.085 0.000 2.052 8 R HA 0.127 4.467 4.340 0.000 0.000 0.226 8 R C 1.881 178.223 176.300 0.069 0.000 1.145 8 R CA 2.148 58.285 56.100 0.062 0.000 0.952 8 R CB -0.565 29.758 30.300 0.038 0.000 0.847 8 R HN 0.373 nan 8.270 nan 0.000 0.431 9 K N -1.083 119.374 120.400 0.095 0.000 2.362 9 K HA -0.154 4.166 4.320 0.000 0.000 0.202 9 K C 0.208 176.757 176.600 -0.084 0.000 1.045 9 K CA 1.349 57.654 56.287 0.030 0.000 0.936 9 K CB -0.064 32.484 32.500 0.079 0.000 0.747 9 K HN 0.284 nan 8.250 nan 0.000 0.467 10 W N 1.348 122.635 121.300 -0.021 0.000 2.966 10 W HA 0.244 4.904 4.660 0.000 0.000 0.406 10 W C -0.418 176.083 176.519 -0.030 0.000 1.027 10 W CA -0.654 56.678 57.345 -0.022 0.000 1.930 10 W CB 0.472 29.922 29.460 -0.015 0.000 1.144 10 W HN -0.244 nan 8.180 nan 0.000 0.626 11 R N 3.088 123.639 120.500 0.085 0.000 2.480 11 R HA 0.011 4.351 4.340 0.000 0.000 0.303 11 R C -2.014 174.280 176.300 -0.010 0.000 0.985 11 R CA -0.938 55.182 56.100 0.034 0.000 1.051 11 R CB -0.211 30.084 30.300 -0.008 0.000 0.935 11 R HN -0.162 nan 8.270 nan 0.000 0.410 12 P HA -0.076 nan 4.420 nan 0.000 0.265 12 P C -0.381 176.857 177.300 -0.104 0.000 1.193 12 P CA 0.095 63.174 63.100 -0.035 0.000 0.765 12 P CB 0.901 32.592 31.700 -0.014 0.000 0.823 13 Q N 0.600 120.317 119.800 -0.138 0.000 2.352 13 Q HA 0.152 4.492 4.340 0.000 0.000 0.212 13 Q C 0.319 176.170 176.000 -0.249 0.000 0.888 13 Q CA 0.847 56.542 55.803 -0.179 0.000 0.934 13 Q CB 0.501 29.140 28.738 -0.164 0.000 1.093 13 Q HN 0.510 nan 8.270 nan 0.000 0.523 14 T N -0.955 113.450 114.554 -0.248 0.000 2.864 14 T HA 0.370 4.721 4.350 0.000 0.000 0.299 14 T C 0.245 174.771 174.700 -0.291 0.000 1.166 14 T CA -0.632 61.261 62.100 -0.345 0.000 1.007 14 T CB 0.624 69.376 68.868 -0.194 0.000 1.219 14 T HN -0.209 nan 8.240 nan 0.000 0.506 15 F N 0.821 120.730 119.950 -0.069 0.000 2.365 15 F HA 0.097 4.624 4.527 0.000 0.000 0.300 15 F C 2.638 178.399 175.800 -0.065 0.000 1.090 15 F CA 0.682 58.635 58.000 -0.077 0.000 1.408 15 F CB -1.075 37.874 39.000 -0.085 0.000 1.060 15 F HN 0.746 nan 8.300 nan 0.000 0.534 16 A N 0.651 123.515 122.820 0.073 0.000 1.940 16 A HA -0.235 4.085 4.320 0.000 0.000 0.219 16 A C 1.190 178.784 177.584 0.016 0.000 1.176 16 A CA 2.089 54.146 52.037 0.032 0.000 0.631 16 A CB -1.044 17.957 19.000 0.002 0.000 0.814 16 A HN 0.476 nan 8.150 nan 0.000 0.446 17 D N -1.370 119.033 120.400 0.004 0.000 2.463 17 D HA 0.373 5.013 4.640 0.000 0.000 0.224 17 D C -0.109 176.211 176.300 0.034 0.000 1.174 17 D CA -0.329 53.683 54.000 0.021 0.000 0.829 17 D CB 0.325 41.140 40.800 0.025 0.000 0.993 17 D HN 0.135 nan 8.370 nan 0.000 0.497 18 V N 0.560 120.493 119.914 0.031 0.000 2.904 18 V HA 0.338 4.458 4.120 0.000 0.000 0.305 18 V C 0.324 176.425 176.094 0.012 0.000 1.067 18 V CA -0.815 61.502 62.300 0.028 0.000 1.044 18 V CB 2.024 33.875 31.823 0.046 0.000 1.050 18 V HN 0.033 nan 8.190 nan 0.000 0.475 19 V N 1.960 121.876 119.914 0.003 0.000 2.448 19 V HA 0.696 4.817 4.120 0.000 0.000 0.295 19 V C 0.993 177.074 176.094 -0.022 0.000 1.025 19 V CA 0.372 62.665 62.300 -0.011 0.000 0.859 19 V CB 0.621 32.440 31.823 -0.005 0.000 0.988 19 V HN 1.181 nan 8.190 nan 0.000 0.431 20 G N 3.544 112.322 108.800 -0.036 0.000 2.189 20 G HA2 -0.251 3.709 3.960 0.000 0.000 0.267 20 G HA3 -0.251 3.709 3.960 0.000 0.000 0.267 20 G C 0.590 175.461 174.900 -0.048 0.000 0.975 20 G CA 0.443 45.518 45.100 -0.041 0.000 0.644 20 G HN 0.617 nan 8.290 nan 0.000 0.537 21 Q N 0.210 119.973 119.800 -0.061 0.000 2.222 21 Q HA 0.234 4.574 4.340 0.000 0.000 0.206 21 Q C 1.757 177.665 176.000 -0.153 0.000 0.877 21 Q CA 0.613 56.373 55.803 -0.072 0.000 0.958 21 Q CB 0.001 28.701 28.738 -0.063 0.000 1.075 21 Q HN 0.797 nan 8.270 nan 0.000 0.483 22 E N 0.436 120.515 120.200 -0.200 0.000 2.598 22 E HA -0.318 4.032 4.350 0.000 0.000 0.250 22 E C 1.436 177.736 176.600 -0.500 0.000 1.037 22 E CA 2.307 58.496 56.400 -0.352 0.000 1.274 22 E CB -0.363 29.083 29.700 -0.423 0.000 1.177 22 E HN 0.573 nan 8.360 nan 0.000 0.490 23 H N -0.516 118.513 119.070 -0.069 0.000 2.326 23 H HA -0.033 4.523 4.556 0.000 0.000 0.301 23 H C 2.445 177.672 175.328 -0.169 0.000 1.081 23 H CA 1.416 57.416 56.048 -0.081 0.000 1.334 23 H CB -0.510 29.236 29.762 -0.028 0.000 1.385 23 H HN 0.069 nan 8.280 nan 0.000 0.504 24 V N 1.548 121.363 119.914 -0.164 0.000 2.794 24 V HA -0.208 3.912 4.120 0.000 0.000 0.260 24 V C 2.459 178.235 176.094 -0.530 0.000 1.103 24 V CA 1.293 63.339 62.300 -0.424 0.000 1.125 24 V CB -0.638 31.031 31.823 -0.258 0.000 0.702 24 V HN 0.257 nan 8.190 nan 0.000 0.494 25 L N -1.271 119.723 121.223 -0.382 0.000 2.408 25 L HA 0.039 4.379 4.340 0.000 0.000 0.215 25 L C 2.414 179.059 176.870 -0.376 0.000 1.081 25 L CA 0.723 55.292 54.840 -0.452 0.000 0.840 25 L CB -0.639 41.226 42.059 -0.323 0.000 1.002 25 L HN 0.205 nan 8.230 nan 0.000 0.468 26 T N 0.426 114.830 114.554 -0.251 0.000 2.915 26 T HA -0.082 4.268 4.350 0.000 0.000 0.269 26 T C 1.917 176.544 174.700 -0.122 0.000 1.071 26 T CA 1.300 63.312 62.100 -0.147 0.000 1.132 26 T CB -0.002 68.826 68.868 -0.067 0.000 0.878 26 T HN 0.401 nan 8.240 nan 0.000 0.479 27 A N 0.513 123.232 122.820 -0.168 0.000 2.030 27 A HA 0.318 4.638 4.320 0.000 0.000 0.215 27 A C 2.101 179.617 177.584 -0.114 0.000 1.164 27 A CA 0.483 52.474 52.037 -0.078 0.000 0.697 27 A CB -0.313 18.685 19.000 -0.004 0.000 0.827 27 A HN 0.451 nan 8.150 nan 0.000 0.457 28 L N -1.282 119.748 121.223 -0.322 0.000 2.249 28 L HA 0.068 4.408 4.340 0.000 0.000 0.207 28 L C 2.874 179.541 176.870 -0.339 0.000 1.090 28 L CA 0.751 55.367 54.840 -0.373 0.000 0.802 28 L CB -0.286 41.395 42.059 -0.629 0.000 0.947 28 L HN 0.374 nan 8.230 nan 0.000 0.453 29 A N 0.451 123.057 122.820 -0.357 0.000 1.929 29 A HA -0.149 4.171 4.320 0.000 0.000 0.216 29 A C 1.956 179.502 177.584 -0.063 0.000 1.176 29 A CA 1.543 53.467 52.037 -0.189 0.000 0.628 29 A CB -0.386 18.526 19.000 -0.146 0.000 0.816 29 A HN 0.369 nan 8.150 nan 0.000 0.444 30 N N 0.349 119.016 118.700 -0.055 0.000 2.216 30 N HA -0.043 4.697 4.740 0.000 0.000 0.183 30 N C 1.809 177.336 175.510 0.028 0.000 1.017 30 N CA 1.320 54.370 53.050 -0.000 0.000 0.861 30 N CB -0.758 37.736 38.487 0.012 0.000 0.986 30 N HN 0.431 nan 8.380 nan 0.000 0.428 31 G N 1.210 110.030 108.800 0.033 0.000 2.421 31 G HA2 -0.162 3.798 3.960 0.000 0.000 0.216 31 G HA3 -0.162 3.798 3.960 0.000 0.000 0.216 31 G C 1.565 176.505 174.900 0.068 0.000 1.171 31 G CA 0.461 45.614 45.100 0.088 0.000 0.775 31 G HN 0.222 nan 8.290 nan 0.000 0.543 32 L N 0.599 121.845 121.223 0.038 0.000 2.056 32 L HA -0.055 4.285 4.340 0.000 0.000 0.207 32 L C 3.231 180.140 176.870 0.066 0.000 1.078 32 L CA 1.084 55.960 54.840 0.059 0.000 0.749 32 L CB -0.482 41.625 42.059 0.080 0.000 0.901 32 L HN 0.178 nan 8.230 nan 0.000 0.433 33 S N 0.395 116.127 115.700 0.053 0.000 2.351 33 S HA -0.167 4.303 4.470 0.000 0.000 0.220 33 S C 1.945 176.574 174.600 0.049 0.000 1.035 33 S CA 1.417 59.646 58.200 0.049 0.000 1.031 33 S CB -0.397 62.825 63.200 0.037 0.000 0.928 33 S HN 0.292 nan 8.310 nan 0.000 0.433 34 L N 0.117 121.368 121.223 0.047 0.000 2.217 34 L HA 0.094 4.435 4.340 0.000 0.000 0.211 34 L C 1.934 178.834 176.870 0.049 0.000 1.107 34 L CA 0.879 55.745 54.840 0.045 0.000 0.783 34 L CB -0.551 41.534 42.059 0.043 0.000 0.919 34 L HN 0.622 nan 8.230 nan 0.000 0.442 35 G N 0.019 108.855 108.800 0.059 0.000 2.192 35 G HA2 -0.213 3.747 3.960 0.000 0.000 0.193 35 G HA3 -0.213 3.747 3.960 0.000 0.000 0.193 35 G C 0.189 175.119 174.900 0.049 0.000 0.999 35 G CA -0.566 44.574 45.100 0.067 0.000 0.659 35 G HN 0.312 nan 8.290 nan 0.000 0.503 36 R N 0.395 120.917 120.500 0.037 0.000 2.429 36 R HA 0.523 4.863 4.340 0.000 0.000 0.302 36 R C -0.511 175.794 176.300 0.009 0.000 1.268 36 R CA 0.025 56.115 56.100 -0.016 0.000 1.090 36 R CB 0.133 30.449 30.300 0.028 0.000 1.102 36 R HN 0.264 nan 8.270 nan 0.000 0.522 37 I N 2.656 123.200 120.570 -0.044 0.000 2.382 37 I HA 0.184 4.354 4.170 0.000 0.000 0.286 37 I C 0.551 176.603 176.117 -0.108 0.000 1.002 37 I CA -0.572 60.770 61.300 0.070 0.000 1.135 37 I CB 1.024 39.034 38.000 0.017 0.000 1.288 37 I HN 0.404 nan 8.210 nan 0.000 0.448 38 H N 4.701 123.705 119.070 -0.111 0.000 2.546 38 H HA 0.226 4.782 4.556 0.000 0.000 0.365 38 H C 0.615 175.778 175.328 -0.276 0.000 1.220 38 H CA -0.378 55.433 56.048 -0.394 0.000 1.386 38 H CB 0.953 30.339 29.762 -0.628 0.000 1.510 38 H HN 0.563 nan 8.280 nan 0.000 0.591 39 H N 0.378 119.424 119.070 -0.039 0.000 2.387 39 H HA 0.028 4.584 4.556 0.000 0.000 0.299 39 H C 0.536 175.916 175.328 0.085 0.000 1.099 39 H CA 1.143 57.207 56.048 0.027 0.000 1.315 39 H CB 0.087 29.874 29.762 0.041 0.000 1.380 39 H HN 0.586 nan 8.280 nan 0.000 0.513 40 A N -0.493 122.329 122.820 0.003 0.000 2.517 40 A HA 0.522 4.842 4.320 0.000 0.000 0.297 40 A C -1.749 175.664 177.584 -0.285 0.000 1.050 40 A CA -0.648 51.396 52.037 0.012 0.000 0.694 40 A CB 1.014 20.055 19.000 0.068 0.000 1.277 40 A HN 0.111 nan 8.150 nan 0.000 0.400 41 Y N 1.873 122.142 120.300 -0.053 0.000 2.335 41 Y HA 0.530 5.080 4.550 0.000 0.000 0.338 41 Y C 0.036 175.711 175.900 -0.376 0.000 0.977 41 Y CA -0.687 57.243 58.100 -0.284 0.000 1.114 41 Y CB 2.037 40.310 38.460 -0.311 0.000 1.182 41 Y HN 0.585 nan 8.280 nan 0.000 0.463 42 L N 5.904 126.942 121.223 -0.308 0.000 2.277 42 L HA 0.461 4.801 4.340 0.000 0.000 0.284 42 L C -1.659 175.064 176.870 -0.245 0.000 1.028 42 L CA -0.503 54.209 54.840 -0.214 0.000 0.835 42 L CB -0.055 41.913 42.059 -0.152 0.000 1.215 42 L HN 0.541 nan 8.230 nan 0.000 0.425 43 F N 2.950 122.956 119.950 0.094 0.000 2.411 43 F HA 0.371 4.898 4.527 0.000 0.000 0.350 43 F C 1.046 176.826 175.800 -0.033 0.000 1.114 43 F CA -0.200 57.844 58.000 0.073 0.000 1.135 43 F CB 1.663 40.716 39.000 0.088 0.000 1.120 43 F HN 0.515 nan 8.300 nan 0.000 0.495 44 S N 1.499 117.222 115.700 0.038 0.000 2.768 44 S HA 0.997 5.467 4.470 0.000 0.000 0.300 44 S C -0.033 174.381 174.600 -0.311 0.000 1.122 44 S CA -0.382 57.683 58.200 -0.225 0.000 0.995 44 S CB 1.636 64.554 63.200 -0.470 0.000 1.195 44 S HN 1.440 nan 8.310 nan 0.000 0.547 45 G N -0.266 108.303 108.800 -0.385 0.000 2.459 45 G HA2 0.239 4.199 3.960 0.000 0.000 0.685 45 G HA3 0.239 4.199 3.960 0.000 0.000 0.685 45 G C -0.507 174.390 174.900 -0.004 0.000 1.303 45 G CA -0.547 44.488 45.100 -0.109 0.000 0.907 45 G HN 0.988 nan 8.290 nan 0.000 0.632 46 T N 0.238 114.827 114.554 0.059 0.000 2.748 46 T HA 0.490 4.840 4.350 0.000 0.000 0.304 46 T C 1.109 175.830 174.700 0.035 0.000 1.041 46 T CA 0.378 62.505 62.100 0.046 0.000 1.033 46 T CB 0.575 69.477 68.868 0.056 0.000 0.995 46 T HN 1.102 nan 8.240 nan 0.000 0.536 47 R N -0.008 120.513 120.500 0.035 0.000 2.590 47 R HA 0.465 4.805 4.340 0.000 0.000 0.274 47 R C 1.112 177.429 176.300 0.029 0.000 1.061 47 R CA 0.659 56.779 56.100 0.034 0.000 1.081 47 R CB -0.308 30.015 30.300 0.038 0.000 0.984 47 R HN 0.881 nan 8.270 nan 0.000 0.448 48 G N 1.307 110.121 108.800 0.024 0.000 2.561 48 G HA2 -0.242 3.718 3.960 0.000 0.000 0.203 48 G HA3 -0.242 3.718 3.960 0.000 0.000 0.203 48 G C -0.165 174.744 174.900 0.014 0.000 1.101 48 G CA -0.217 44.895 45.100 0.019 0.000 0.711 48 G HN 0.647 nan 8.290 nan 0.000 0.511 49 V N 2.354 122.279 119.914 0.018 0.000 3.139 49 V HA 0.424 4.544 4.120 0.000 0.000 0.307 49 V C 2.152 178.242 176.094 -0.006 0.000 1.095 49 V CA 0.839 63.147 62.300 0.013 0.000 1.160 49 V CB 1.049 32.890 31.823 0.030 0.000 1.003 49 V HN 1.106 nan 8.190 nan 0.000 0.489 50 G N 1.304 110.091 108.800 -0.021 0.000 2.736 50 G HA2 -0.167 3.793 3.960 0.000 0.000 0.206 50 G HA3 -0.167 3.793 3.960 0.000 0.000 0.206 50 G C 1.303 176.140 174.900 -0.105 0.000 1.158 50 G CA 0.442 45.511 45.100 -0.052 0.000 0.801 50 G HN 0.846 nan 8.290 nan 0.000 0.528 51 K N 0.117 120.464 120.400 -0.088 0.000 2.023 51 K HA -0.288 4.032 4.320 0.000 0.000 0.227 51 K C 2.909 179.392 176.600 -0.194 0.000 1.054 51 K CA 2.510 58.719 56.287 -0.129 0.000 0.977 51 K CB -0.640 31.853 32.500 -0.012 0.000 0.733 51 K HN 0.523 nan 8.250 nan 0.000 0.451 52 T N -1.753 112.753 114.554 -0.080 0.000 2.904 52 T HA -0.102 4.249 4.350 0.000 0.000 0.267 52 T C 2.091 176.741 174.700 -0.083 0.000 1.059 52 T CA 1.573 63.640 62.100 -0.054 0.000 1.137 52 T CB -0.174 68.698 68.868 0.006 0.000 0.879 52 T HN 0.195 nan 8.240 nan 0.000 0.467 53 S N 1.346 116.995 115.700 -0.085 0.000 2.356 53 S HA -0.017 4.453 4.470 0.000 0.000 0.223 53 S C 1.994 176.530 174.600 -0.107 0.000 1.032 53 S CA 1.123 59.278 58.200 -0.077 0.000 1.005 53 S CB -0.653 62.515 63.200 -0.054 0.000 0.867 53 S HN 0.615 nan 8.310 nan 0.000 0.449 54 I N 1.521 121.992 120.570 -0.166 0.000 2.676 54 I HA -0.051 4.120 4.170 0.000 0.000 0.259 54 I C 2.658 178.632 176.117 -0.239 0.000 1.194 54 I CA 0.706 61.902 61.300 -0.174 0.000 1.473 54 I CB -0.476 37.347 38.000 -0.295 0.000 1.096 54 I HN 0.376 nan 8.210 nan 0.000 0.443 55 A N 1.327 123.959 122.820 -0.314 0.000 1.855 55 A HA -0.176 4.144 4.320 0.000 0.000 0.215 55 A C 2.425 179.995 177.584 -0.023 0.000 1.191 55 A CA 1.263 53.198 52.037 -0.170 0.000 0.613 55 A CB -0.505 18.456 19.000 -0.066 0.000 0.829 55 A HN 0.253 nan 8.150 nan 0.000 0.442 56 R N -0.350 120.124 120.500 -0.042 0.000 2.115 56 R HA -0.150 4.190 4.340 0.000 0.000 0.239 56 R C 2.032 178.289 176.300 -0.071 0.000 1.133 56 R CA 1.770 57.844 56.100 -0.044 0.000 0.935 56 R CB -0.841 29.420 30.300 -0.065 0.000 0.853 56 R HN 0.522 nan 8.270 nan 0.000 0.433 57 L N 0.913 122.070 121.223 -0.111 0.000 2.270 57 L HA -0.219 4.121 4.340 0.000 0.000 0.217 57 L C 2.409 179.210 176.870 -0.115 0.000 1.107 57 L CA 0.635 55.322 54.840 -0.254 0.000 0.772 57 L CB -0.496 41.313 42.059 -0.416 0.000 0.902 57 L HN 0.234 nan 8.230 nan 0.000 0.439 58 L N 0.135 121.429 121.223 0.119 0.000 2.068 58 L HA -0.011 4.329 4.340 0.000 0.000 0.204 58 L C 2.653 179.569 176.870 0.076 0.000 1.076 58 L CA 1.877 56.841 54.840 0.208 0.000 0.753 58 L CB -0.583 41.557 42.059 0.135 0.000 0.910 58 L HN 0.090 nan 8.230 nan 0.000 0.439 59 A N -0.808 122.032 122.820 0.034 0.000 1.969 59 A HA -0.223 4.097 4.320 0.000 0.000 0.218 59 A C 2.409 179.977 177.584 -0.026 0.000 1.169 59 A CA 1.742 53.791 52.037 0.019 0.000 0.635 59 A CB -0.557 18.462 19.000 0.031 0.000 0.810 59 A HN 0.468 nan 8.150 nan 0.000 0.445 60 K N -0.660 119.689 120.400 -0.085 0.000 2.097 60 K HA -0.082 4.238 4.320 0.000 0.000 0.205 60 K C 1.765 178.309 176.600 -0.093 0.000 1.050 60 K CA 1.180 57.380 56.287 -0.145 0.000 0.938 60 K CB -0.353 32.023 32.500 -0.206 0.000 0.718 60 K HN 0.412 nan 8.250 nan 0.000 0.442 61 G N 0.084 108.856 108.800 -0.047 0.000 2.813 61 G HA2 -0.009 3.951 3.960 0.000 0.000 0.209 61 G HA3 -0.009 3.951 3.960 0.000 0.000 0.209 61 G C 1.169 176.115 174.900 0.077 0.000 1.150 61 G CA 0.019 45.132 45.100 0.021 0.000 0.785 61 G HN 0.133 nan 8.290 nan 0.000 0.535 62 L N -0.331 120.943 121.223 0.084 0.000 2.265 62 L HA 0.163 4.503 4.340 0.000 0.000 0.195 62 L C 2.357 179.419 176.870 0.319 0.000 1.083 62 L CA 0.206 55.156 54.840 0.183 0.000 0.798 62 L CB -0.249 41.827 42.059 0.028 0.000 0.989 62 L HN -0.020 nan 8.230 nan 0.000 0.472 63 N N -0.066 118.771 118.700 0.229 0.000 2.244 63 N HA -0.110 4.630 4.740 0.000 0.000 0.183 63 N C 0.793 176.362 175.510 0.098 0.000 1.016 63 N CA 0.348 53.518 53.050 0.200 0.000 0.866 63 N CB -0.522 38.076 38.487 0.184 0.000 0.980 63 N HN 0.243 nan 8.380 nan 0.000 0.430 64 C N 2.378 121.699 119.300 0.036 0.000 2.348 64 C HA -0.104 4.356 4.460 0.000 0.000 0.391 64 C C 1.845 176.851 174.990 0.027 0.000 1.463 64 C CA -0.022 58.999 59.018 0.006 0.000 1.550 64 C CB -0.292 27.440 27.740 -0.013 0.000 2.539 64 C HN 0.466 nan 8.230 nan 0.000 0.588 65 E N 1.442 121.649 120.200 0.012 0.000 2.347 65 E HA -0.099 4.251 4.350 0.000 0.000 0.196 65 E C 1.585 178.192 176.600 0.011 0.000 1.008 65 E CA 1.298 57.706 56.400 0.014 0.000 0.852 65 E CB 0.029 29.735 29.700 0.009 0.000 0.783 65 E HN 0.835 nan 8.360 nan 0.000 0.505 66 T N 0.408 114.967 114.554 0.008 0.000 3.169 66 T HA 0.266 4.616 4.350 0.000 0.000 0.250 66 T C 0.479 175.191 174.700 0.021 0.000 1.111 66 T CA 0.373 62.478 62.100 0.009 0.000 1.010 66 T CB 0.433 69.301 68.868 0.000 0.000 0.984 66 T HN 0.395 nan 8.240 nan 0.000 0.537 67 G N 1.524 110.344 108.800 0.032 0.000 2.498 67 G HA2 -0.101 3.859 3.960 0.000 0.000 0.651 67 G HA3 -0.101 3.859 3.960 0.000 0.000 0.651 67 G C -0.846 174.100 174.900 0.076 0.000 1.284 67 G CA -1.148 43.982 45.100 0.050 0.000 0.950 67 G HN 0.339 nan 8.290 nan 0.000 0.511 68 I N 2.252 122.884 120.570 0.103 0.000 2.260 68 I HA 0.373 4.543 4.170 0.000 0.000 0.297 68 I C 0.424 176.600 176.117 0.098 0.000 1.143 68 I CA 0.016 61.398 61.300 0.136 0.000 1.271 68 I CB 0.241 38.357 38.000 0.194 0.000 1.461 68 I HN 0.484 nan 8.210 nan 0.000 0.530 69 T N 3.154 117.758 114.554 0.083 0.000 2.916 69 T HA 0.407 4.757 4.350 0.000 0.000 0.292 69 T C 0.966 175.725 174.700 0.099 0.000 1.055 69 T CA -0.539 61.606 62.100 0.074 0.000 1.009 69 T CB 2.142 71.040 68.868 0.049 0.000 1.118 69 T HN 0.490 nan 8.240 nan 0.000 0.497 70 A N 0.888 123.781 122.820 0.122 0.000 2.119 70 A HA 0.154 4.474 4.320 0.000 0.000 0.217 70 A C 1.107 178.787 177.584 0.159 0.000 1.153 70 A CA 0.543 52.719 52.037 0.231 0.000 0.692 70 A CB -0.479 18.634 19.000 0.188 0.000 0.799 70 A HN 0.739 nan 8.150 nan 0.000 0.458 71 T N 1.945 116.536 114.554 0.061 0.000 3.145 71 T HA 0.489 4.839 4.350 0.000 0.000 0.362 71 T C -2.933 171.745 174.700 -0.037 0.000 1.340 71 T CA -1.424 60.674 62.100 -0.003 0.000 1.069 71 T CB 0.912 69.783 68.868 0.005 0.000 1.129 71 T HN 0.078 nan 8.240 nan 0.000 0.585 72 P HA 0.290 nan 4.420 nan 0.000 0.280 72 P C 0.495 177.739 177.300 -0.092 0.000 1.244 72 P CA -0.842 62.202 63.100 -0.094 0.000 0.784 72 P CB 0.284 31.891 31.700 -0.155 0.000 0.913 73 C N 1.665 120.923 119.300 -0.069 0.000 2.653 73 C HA 0.468 4.928 4.460 0.000 0.000 0.421 73 C C 1.758 176.696 174.990 -0.087 0.000 1.334 73 C CA 0.341 59.320 59.018 -0.066 0.000 1.885 73 C CB -0.496 27.215 27.740 -0.048 0.000 2.645 73 C HN 0.782 nan 8.230 nan 0.000 0.601 74 G N 1.948 110.695 108.800 -0.088 0.000 2.985 74 G HA2 0.216 4.176 3.960 0.000 0.000 0.209 74 G HA3 0.216 4.176 3.960 0.000 0.000 0.209 74 G C 0.900 175.749 174.900 -0.086 0.000 1.165 74 G CA 0.810 45.850 45.100 -0.100 0.000 0.776 74 G HN 1.401 nan 8.290 nan 0.000 0.541 75 V N -1.589 118.283 119.914 -0.069 0.000 3.379 75 V HA 0.165 4.285 4.120 0.000 0.000 0.249 75 V C 1.838 177.903 176.094 -0.048 0.000 1.184 75 V CA -0.406 61.860 62.300 -0.056 0.000 1.106 75 V CB -1.180 30.616 31.823 -0.046 0.000 0.826 75 V HN 0.381 nan 8.190 nan 0.000 0.465 76 C N 1.826 121.097 119.300 -0.049 0.000 2.796 76 C HA 0.074 4.534 4.460 0.000 0.000 0.394 76 C C 1.807 176.775 174.990 -0.037 0.000 1.276 76 C CA 0.715 59.710 59.018 -0.037 0.000 2.038 76 C CB -0.034 27.685 27.740 -0.036 0.000 2.709 76 C HN 0.608 nan 8.230 nan 0.000 0.709 77 D N 1.270 121.663 120.400 -0.012 0.000 2.263 77 D HA -0.090 4.550 4.640 0.000 0.000 0.208 77 D C 1.762 178.068 176.300 0.011 0.000 0.971 77 D CA 1.267 55.272 54.000 0.009 0.000 0.867 77 D CB -0.159 40.662 40.800 0.034 0.000 0.929 77 D HN 0.640 nan 8.370 nan 0.000 0.492 78 N N 0.018 118.699 118.700 -0.032 0.000 2.132 78 N HA -0.081 4.659 4.740 0.000 0.000 0.187 78 N C 2.059 177.360 175.510 -0.349 0.000 1.038 78 N CA 0.555 53.502 53.050 -0.170 0.000 0.846 78 N CB -0.694 37.709 38.487 -0.141 0.000 1.012 78 N HN 0.186 nan 8.380 nan 0.000 0.429 79 C N 1.519 120.679 119.300 -0.232 0.000 2.376 79 C HA -0.108 4.352 4.460 0.000 0.000 0.275 79 C C 2.709 177.588 174.990 -0.186 0.000 1.200 79 C CA 0.576 59.461 59.018 -0.221 0.000 1.756 79 C CB -1.149 26.498 27.740 -0.155 0.000 2.050 79 C HN 0.488 nan 8.230 nan 0.000 0.460 80 R N 0.771 121.196 120.500 -0.124 0.000 2.113 80 R HA -0.192 4.149 4.340 0.000 0.000 0.244 80 R C 2.050 178.306 176.300 -0.073 0.000 1.142 80 R CA 1.930 57.980 56.100 -0.084 0.000 0.953 80 R CB -0.415 29.855 30.300 -0.050 0.000 0.860 80 R HN 0.692 nan 8.270 nan 0.000 0.438 81 E N 0.140 120.298 120.200 -0.069 0.000 2.208 81 E HA -0.103 4.248 4.350 0.000 0.000 0.193 81 E C 1.974 178.540 176.600 -0.057 0.000 0.988 81 E CA 0.720 57.124 56.400 0.007 0.000 0.828 81 E CB 0.022 29.837 29.700 0.193 0.000 0.763 81 E HN 0.358 nan 8.360 nan 0.000 0.478 82 I N 0.872 121.280 120.570 -0.269 0.000 2.133 82 I HA -0.227 3.943 4.170 0.000 0.000 0.238 82 I C 2.549 178.593 176.117 -0.121 0.000 1.074 82 I CA 1.040 62.180 61.300 -0.267 0.000 1.342 82 I CB -0.061 37.703 38.000 -0.395 0.000 1.053 82 I HN 0.029 nan 8.210 nan 0.000 0.404 83 E N 1.108 121.232 120.200 -0.126 0.000 2.110 83 E HA -0.258 4.092 4.350 0.000 0.000 0.193 83 E C 2.124 178.694 176.600 -0.051 0.000 0.988 83 E CA 1.547 57.894 56.400 -0.089 0.000 0.804 83 E CB -0.144 29.496 29.700 -0.101 0.000 0.745 83 E HN 0.400 nan 8.360 nan 0.000 0.458 84 Q N -1.167 118.610 119.800 -0.039 0.000 2.226 84 Q HA -0.030 4.310 4.340 0.000 0.000 0.204 84 Q C 0.873 176.876 176.000 0.005 0.000 0.975 84 Q CA 0.923 56.719 55.803 -0.013 0.000 0.866 84 Q CB 0.007 28.744 28.738 -0.002 0.000 0.915 84 Q HN 0.467 nan 8.270 nan 0.000 0.440 85 G N 1.048 109.855 108.800 0.012 0.000 2.165 85 G HA2 -0.266 3.695 3.960 0.000 0.000 0.226 85 G HA3 -0.266 3.695 3.960 0.000 0.000 0.226 85 G C -0.092 174.843 174.900 0.059 0.000 1.035 85 G CA -0.044 45.076 45.100 0.033 0.000 0.744 85 G HN 0.216 nan 8.290 nan 0.000 0.501 86 R N -0.583 119.967 120.500 0.085 0.000 2.687 86 R HA 0.458 4.798 4.340 0.000 0.000 0.264 86 R C -1.247 175.171 176.300 0.196 0.000 1.715 86 R CA -0.561 55.600 56.100 0.102 0.000 1.633 86 R CB 0.236 30.577 30.300 0.069 0.000 1.353 86 R HN 0.132 nan 8.270 nan 0.000 0.653 87 F N 0.758 120.701 119.950 -0.012 0.000 2.508 87 F HA 0.280 4.807 4.527 0.000 0.000 0.325 87 F C 0.998 176.784 175.800 -0.023 0.000 1.090 87 F CA -0.957 57.033 58.000 -0.017 0.000 0.945 87 F CB 1.727 40.716 39.000 -0.018 0.000 1.156 87 F HN -0.075 nan 8.300 nan 0.000 0.463 88 V N 2.616 122.183 119.914 -0.577 0.000 2.307 88 V HA -0.197 3.924 4.120 0.000 0.000 0.245 88 V C 1.396 177.236 176.094 -0.423 0.000 1.045 88 V CA 2.102 64.136 62.300 -0.443 0.000 1.024 88 V CB -0.366 31.194 31.823 -0.438 0.000 0.651 88 V HN 0.680 nan 8.190 nan 0.000 0.449 89 D N -0.353 119.648 120.400 -0.666 0.000 2.323 89 D HA 0.069 4.709 4.640 0.000 0.000 0.209 89 D C 0.770 177.018 176.300 -0.086 0.000 0.973 89 D CA 0.353 54.176 54.000 -0.296 0.000 0.874 89 D CB 0.227 40.917 40.800 -0.183 0.000 0.930 89 D HN 0.301 nan 8.370 nan 0.000 0.521 90 L N 1.934 123.230 121.223 0.121 0.000 2.352 90 L HA 0.309 4.649 4.340 0.000 0.000 0.272 90 L C -0.537 176.350 176.870 0.028 0.000 1.109 90 L CA -0.293 54.632 54.840 0.141 0.000 0.952 90 L CB -0.179 42.055 42.059 0.291 0.000 1.314 90 L HN -0.178 nan 8.230 nan 0.000 0.427 91 I N 3.552 124.053 120.570 -0.116 0.000 2.416 91 I HA 0.203 4.373 4.170 0.000 0.000 0.288 91 I C 0.142 176.298 176.117 0.067 0.000 1.051 91 I CA -0.172 61.093 61.300 -0.058 0.000 1.375 91 I CB 0.727 38.631 38.000 -0.159 0.000 1.407 91 I HN 0.519 nan 8.210 nan 0.000 0.516 92 E N 6.911 127.168 120.200 0.095 0.000 2.145 92 E HA 0.542 4.892 4.350 0.000 0.000 0.270 92 E C -1.228 175.448 176.600 0.127 0.000 0.906 92 E CA -0.645 55.826 56.400 0.119 0.000 0.761 92 E CB 2.064 31.820 29.700 0.092 0.000 1.116 92 E HN 0.361 nan 8.360 nan 0.000 0.408 93 I N 2.067 122.727 120.570 0.149 0.000 2.410 93 I HA 0.155 4.325 4.170 0.000 0.000 0.286 93 I C -0.624 175.561 176.117 0.113 0.000 1.009 93 I CA -0.636 60.742 61.300 0.131 0.000 1.111 93 I CB 1.627 39.716 38.000 0.149 0.000 1.262 93 I HN 0.371 nan 8.210 nan 0.000 0.443 94 D N 4.839 125.294 120.400 0.092 0.000 2.359 94 D HA 0.502 5.142 4.640 0.000 0.000 0.230 94 D C 0.897 177.241 176.300 0.073 0.000 1.118 94 D CA -0.294 53.755 54.000 0.083 0.000 0.844 94 D CB 1.574 42.416 40.800 0.070 0.000 1.059 94 D HN 0.649 nan 8.370 nan 0.000 0.493 95 A N 3.458 126.325 122.820 0.078 0.000 2.239 95 A HA 0.223 4.543 4.320 0.000 0.000 0.209 95 A C 1.789 179.393 177.584 0.033 0.000 1.171 95 A CA 0.935 53.008 52.037 0.060 0.000 0.768 95 A CB -0.234 18.810 19.000 0.073 0.000 0.790 95 A HN 0.613 nan 8.150 nan 0.000 0.478 96 A N 0.048 122.891 122.820 0.039 0.000 2.147 96 A HA 0.296 4.616 4.320 0.000 0.000 0.211 96 A C 1.400 178.998 177.584 0.024 0.000 1.160 96 A CA 0.705 52.757 52.037 0.024 0.000 0.781 96 A CB -0.406 18.617 19.000 0.037 0.000 0.842 96 A HN 0.695 nan 8.150 nan 0.000 0.475 97 S N -0.558 115.161 115.700 0.032 0.000 2.545 97 S HA 0.431 4.901 4.470 0.000 0.000 0.275 97 S C 0.456 175.072 174.600 0.027 0.000 1.299 97 S CA -0.626 57.593 58.200 0.030 0.000 1.048 97 S CB 1.156 64.378 63.200 0.036 0.000 0.938 97 S HN 0.406 nan 8.310 nan 0.000 0.496 98 R N 0.954 121.468 120.500 0.024 0.000 2.300 98 R HA 0.106 4.446 4.340 0.000 0.000 0.199 98 R C 0.097 176.413 176.300 0.027 0.000 0.920 98 R CA 0.359 56.472 56.100 0.023 0.000 1.046 98 R CB 0.038 30.348 30.300 0.018 0.000 0.984 98 R HN 0.623 nan 8.270 nan 0.000 0.493 99 T N 1.306 115.877 114.554 0.029 0.000 3.316 99 T HA 0.202 4.552 4.350 0.000 0.000 0.253 99 T C -0.279 174.441 174.700 0.035 0.000 0.995 99 T CA -0.264 61.854 62.100 0.030 0.000 1.031 99 T CB 0.280 69.164 68.868 0.026 0.000 1.125 99 T HN 0.015 nan 8.240 nan 0.000 0.539 100 K N 0.641 121.065 120.400 0.039 0.000 2.237 100 K HA 0.347 4.667 4.320 0.000 0.000 0.270 100 K C 1.066 177.693 176.600 0.045 0.000 1.015 100 K CA -0.526 55.788 56.287 0.045 0.000 0.949 100 K CB 1.220 33.751 32.500 0.052 0.000 0.976 100 K HN -0.084 nan 8.250 nan 0.000 0.472 101 V N 1.796 121.737 119.914 0.046 0.000 2.214 101 V HA -0.224 3.896 4.120 0.000 0.000 0.244 101 V C 0.481 176.605 176.094 0.049 0.000 1.045 101 V CA 1.562 63.888 62.300 0.044 0.000 0.993 101 V CB -0.245 31.604 31.823 0.043 0.000 0.633 101 V HN 0.751 nan 8.190 nan 0.000 0.449 102 E N 0.577 120.811 120.200 0.057 0.000 2.183 102 E HA 0.221 4.571 4.350 0.000 0.000 0.250 102 E C -1.221 175.421 176.600 0.070 0.000 0.901 102 E CA -0.517 55.922 56.400 0.064 0.000 0.741 102 E CB 0.682 30.423 29.700 0.068 0.000 1.182 102 E HN 0.442 nan 8.360 nan 0.000 0.425 103 D N 1.655 122.096 120.400 0.067 0.000 2.515 103 D HA -0.090 4.550 4.640 0.000 0.000 0.232 103 D C 1.271 177.602 176.300 0.051 0.000 1.157 103 D CA 0.509 54.545 54.000 0.061 0.000 0.871 103 D CB 0.626 41.464 40.800 0.063 0.000 1.200 103 D HN 0.345 nan 8.370 nan 0.000 0.466 104 T N 1.182 115.758 114.554 0.037 0.000 2.780 104 T HA -0.370 3.981 4.350 0.000 0.000 0.255 104 T C 1.756 176.446 174.700 -0.016 0.000 1.065 104 T CA 2.043 64.151 62.100 0.013 0.000 1.155 104 T CB -0.207 68.651 68.868 -0.017 0.000 0.837 104 T HN 0.476 nan 8.240 nan 0.000 0.479 105 R N 0.977 121.449 120.500 -0.045 0.000 2.091 105 R HA -0.162 4.178 4.340 0.000 0.000 0.238 105 R C 1.693 178.019 176.300 0.044 0.000 1.136 105 R CA 2.089 58.168 56.100 -0.035 0.000 0.959 105 R CB -0.333 29.981 30.300 0.022 0.000 0.856 105 R HN 0.470 nan 8.270 nan 0.000 0.437 106 D N 0.204 120.646 120.400 0.071 0.000 2.249 106 D HA -0.061 4.579 4.640 0.000 0.000 0.205 106 D C 1.936 178.298 176.300 0.104 0.000 0.962 106 D CA 0.666 54.718 54.000 0.088 0.000 0.860 106 D CB 0.033 40.885 40.800 0.087 0.000 0.955 106 D HN 0.292 nan 8.370 nan 0.000 0.505 107 L N 0.172 121.460 121.223 0.109 0.000 2.341 107 L HA 0.064 4.404 4.340 0.000 0.000 0.214 107 L C 2.079 179.050 176.870 0.168 0.000 1.115 107 L CA 0.323 55.267 54.840 0.173 0.000 0.820 107 L CB 0.057 42.236 42.059 0.201 0.000 0.944 107 L HN -0.053 nan 8.230 nan 0.000 0.452 108 L N -0.691 120.557 121.223 0.042 0.000 2.592 108 L HA -0.041 4.299 4.340 0.000 0.000 0.227 108 L C 1.637 178.501 176.870 -0.010 0.000 1.127 108 L CA 0.202 54.999 54.840 -0.071 0.000 0.884 108 L CB -0.070 41.914 42.059 -0.126 0.000 1.065 108 L HN 0.211 nan 8.230 nan 0.000 0.457 109 D N 0.334 120.765 120.400 0.052 0.000 2.123 109 D HA -0.163 4.477 4.640 0.000 0.000 0.200 109 D C 1.765 178.111 176.300 0.077 0.000 0.976 109 D CA 0.990 55.027 54.000 0.061 0.000 0.831 109 D CB 0.268 41.123 40.800 0.093 0.000 0.974 109 D HN 0.096 nan 8.370 nan 0.000 0.469 110 N N 0.138 118.944 118.700 0.177 0.000 2.550 110 N HA -0.076 4.664 4.740 0.000 0.000 0.186 110 N C 1.702 177.337 175.510 0.209 0.000 1.110 110 N CA 0.062 53.296 53.050 0.305 0.000 0.912 110 N CB 0.277 39.001 38.487 0.395 0.000 0.968 110 N HN 0.143 nan 8.380 nan 0.000 0.448 111 V N 2.089 122.091 119.914 0.147 0.000 2.233 111 V HA -0.339 3.781 4.120 0.000 0.000 0.256 111 V C 2.107 178.289 176.094 0.148 0.000 1.069 111 V CA 1.900 64.295 62.300 0.159 0.000 1.054 111 V CB -0.551 31.295 31.823 0.038 0.000 0.664 111 V HN 0.469 nan 8.190 nan 0.000 0.453 112 Q N -1.754 118.027 119.800 -0.031 0.000 2.561 112 Q HA -0.080 4.260 4.340 0.000 0.000 0.217 112 Q C 0.061 176.106 176.000 0.075 0.000 0.980 112 Q CA 0.486 56.288 55.803 -0.002 0.000 0.927 112 Q CB -0.189 28.465 28.738 -0.140 0.000 0.980 112 Q HN 0.694 nan 8.270 nan 0.000 0.525 113 Y N 0.231 120.658 120.300 0.212 0.000 2.301 113 Y HA 0.314 4.864 4.550 0.000 0.000 0.325 113 Y C 0.766 176.620 175.900 -0.077 0.000 1.203 113 Y CA -1.151 56.985 58.100 0.061 0.000 1.255 113 Y CB 0.673 39.160 38.460 0.045 0.000 1.232 113 Y HN -0.007 nan 8.280 nan 0.000 0.501 114 A N 4.657 127.443 122.820 -0.056 0.000 2.483 114 A HA 0.186 4.506 4.320 0.000 0.000 0.238 114 A C -2.325 175.190 177.584 -0.116 0.000 1.070 114 A CA -1.205 50.667 52.037 -0.276 0.000 0.770 114 A CB -0.549 18.329 19.000 -0.203 0.000 1.008 114 A HN 0.481 nan 8.150 nan 0.000 0.497 115 P HA 0.287 nan 4.420 nan 0.000 0.281 115 P C 0.607 177.852 177.300 -0.092 0.000 1.286 115 P CA 0.343 63.404 63.100 -0.064 0.000 0.772 115 P CB 1.321 33.010 31.700 -0.018 0.000 0.862 116 A N 6.013 128.762 122.820 -0.117 0.000 1.859 116 A HA -0.166 4.154 4.320 0.000 0.000 0.217 116 A C 1.046 178.564 177.584 -0.111 0.000 1.198 116 A CA 1.313 53.276 52.037 -0.125 0.000 0.629 116 A CB -0.440 18.466 19.000 -0.157 0.000 0.830 116 A HN 0.585 nan 8.150 nan 0.000 0.446 117 R N -1.442 118.973 120.500 -0.140 0.000 2.407 117 R HA 0.517 4.857 4.340 0.000 0.000 0.298 117 R C -0.279 176.051 176.300 0.049 0.000 1.166 117 R CA 0.350 56.419 56.100 -0.051 0.000 1.006 117 R CB 1.182 31.455 30.300 -0.046 0.000 1.145 117 R HN 0.809 nan 8.270 nan 0.000 0.538 118 G N 1.124 109.951 108.800 0.044 0.000 2.340 118 G HA2 -0.125 3.835 3.960 0.000 0.000 0.527 118 G HA3 -0.125 3.835 3.960 0.000 0.000 0.527 118 G C -0.045 174.839 174.900 -0.025 0.000 1.381 118 G CA -1.038 44.111 45.100 0.082 0.000 1.001 118 G HN 0.520 nan 8.290 nan 0.000 0.626 119 R N -0.830 119.614 120.500 -0.092 0.000 2.153 119 R HA 0.260 4.600 4.340 0.000 0.000 0.218 119 R C 0.279 176.183 176.300 -0.660 0.000 1.072 119 R CA 1.028 56.872 56.100 -0.427 0.000 0.990 119 R CB 0.057 29.997 30.300 -0.600 0.000 0.889 119 R HN 0.291 nan 8.270 nan 0.000 0.452 120 F N 0.135 120.143 119.950 0.096 0.000 2.577 120 F HA 0.377 4.904 4.527 0.000 0.000 0.318 120 F C 0.036 175.880 175.800 0.073 0.000 1.065 120 F CA -1.272 56.784 58.000 0.094 0.000 0.929 120 F CB 1.770 40.821 39.000 0.085 0.000 1.237 120 F HN -0.359 nan 8.300 nan 0.000 0.468 121 K N 2.592 123.141 120.400 0.249 0.000 2.432 121 K HA 0.517 4.837 4.320 0.000 0.000 0.226 121 K C -1.361 175.207 176.600 -0.052 0.000 1.057 121 K CA -0.235 56.089 56.287 0.062 0.000 1.034 121 K CB 0.462 33.017 32.500 0.092 0.000 1.561 121 K HN 0.525 nan 8.250 nan 0.000 0.492 122 V N 3.675 123.579 119.914 -0.016 0.000 2.715 122 V HA 0.074 4.194 4.120 0.000 0.000 0.299 122 V C -0.354 175.635 176.094 -0.175 0.000 1.054 122 V CA -0.103 62.176 62.300 -0.036 0.000 1.077 122 V CB 0.223 32.087 31.823 0.069 0.000 0.972 122 V HN 0.462 nan 8.190 nan 0.000 0.484 123 Y N 4.270 124.563 120.300 -0.012 0.000 2.388 123 Y HA 0.503 5.053 4.550 0.000 0.000 0.328 123 Y C -0.193 175.811 175.900 0.173 0.000 0.963 123 Y CA -0.637 57.514 58.100 0.085 0.000 1.240 123 Y CB 1.650 40.181 38.460 0.118 0.000 1.118 123 Y HN 0.504 nan 8.280 nan 0.000 0.484 124 L N 6.324 127.710 121.223 0.271 0.000 2.259 124 L HA 0.536 4.877 4.340 0.000 0.000 0.288 124 L C -0.945 176.065 176.870 0.234 0.000 1.051 124 L CA -0.457 54.528 54.840 0.241 0.000 0.824 124 L CB -0.065 42.096 42.059 0.169 0.000 1.206 124 L HN 0.448 nan 8.230 nan 0.000 0.429 125 I N 4.095 124.808 120.570 0.239 0.000 2.355 125 I HA 0.279 4.449 4.170 0.000 0.000 0.288 125 I C -0.572 175.646 176.117 0.169 0.000 0.999 125 I CA -0.683 60.731 61.300 0.190 0.000 1.163 125 I CB 1.509 39.607 38.000 0.164 0.000 1.316 125 I HN 0.493 nan 8.210 nan 0.000 0.454 126 D N 6.926 127.414 120.400 0.147 0.000 2.249 126 D HA 0.158 4.798 4.640 0.000 0.000 0.246 126 D C -0.078 176.311 176.300 0.149 0.000 1.114 126 D CA 0.379 54.461 54.000 0.138 0.000 0.854 126 D CB 0.739 41.606 40.800 0.111 0.000 1.132 126 D HN 0.409 nan 8.370 nan 0.000 0.461 127 E N 2.275 122.585 120.200 0.182 0.000 2.298 127 E HA -0.140 4.210 4.350 0.000 0.000 0.235 127 E C 1.324 178.112 176.600 0.313 0.000 1.167 127 E CA 0.751 57.322 56.400 0.284 0.000 0.708 127 E CB -2.050 27.789 29.700 0.231 0.000 1.236 127 E HN 0.455 nan 8.360 nan 0.000 0.386 128 V N -0.906 119.177 119.914 0.283 0.000 2.568 128 V HA -0.306 3.814 4.120 0.000 0.000 0.253 128 V C 2.328 178.651 176.094 0.380 0.000 1.072 128 V CA 2.236 64.681 62.300 0.243 0.000 1.084 128 V CB -0.859 31.044 31.823 0.134 0.000 0.676 128 V HN 0.593 nan 8.190 nan 0.000 0.469 129 H N -0.587 118.587 119.070 0.172 0.000 2.559 129 H HA 0.118 4.674 4.556 0.000 0.000 0.273 129 H C 1.643 177.020 175.328 0.081 0.000 1.000 129 H CA 1.055 57.197 56.048 0.156 0.000 1.195 129 H CB -0.448 29.363 29.762 0.083 0.000 1.368 129 H HN 0.404 nan 8.280 nan 0.000 0.592 130 M N 0.930 120.378 119.600 -0.252 0.000 2.495 130 M HA 0.205 4.685 4.480 0.000 0.000 0.237 130 M C 0.458 176.723 176.300 -0.060 0.000 1.131 130 M CA -0.129 55.014 55.300 -0.261 0.000 1.032 130 M CB 0.045 32.495 32.600 -0.251 0.000 1.513 130 M HN 0.116 nan 8.290 nan 0.000 0.488 131 L N 1.784 123.057 121.223 0.083 0.000 2.485 131 L HA 0.024 4.364 4.340 0.000 0.000 0.275 131 L C 1.034 177.938 176.870 0.056 0.000 1.207 131 L CA -0.255 54.674 54.840 0.148 0.000 0.855 131 L CB 0.339 42.629 42.059 0.385 0.000 1.114 131 L HN 0.269 nan 8.230 nan 0.000 0.485 132 S N 3.057 118.777 115.700 0.034 0.000 2.549 132 S HA 0.148 4.618 4.470 0.000 0.000 0.279 132 S C 1.149 175.757 174.600 0.013 0.000 1.321 132 S CA -0.640 57.563 58.200 0.006 0.000 1.054 132 S CB 1.001 64.221 63.200 0.034 0.000 0.899 132 S HN 0.639 nan 8.310 nan 0.000 0.497 133 R N 1.597 122.089 120.500 -0.012 0.000 2.134 133 R HA -0.224 4.116 4.340 0.000 0.000 0.248 133 R C 2.284 178.639 176.300 0.092 0.000 1.143 133 R CA 2.186 58.291 56.100 0.008 0.000 0.957 133 R CB -1.044 29.245 30.300 -0.019 0.000 0.867 133 R HN 0.990 nan 8.270 nan 0.000 0.441 134 H N 0.361 119.459 119.070 0.047 0.000 2.518 134 H HA 0.013 4.569 4.556 0.000 0.000 0.289 134 H C 1.545 176.904 175.328 0.053 0.000 1.051 134 H CA 1.571 57.645 56.048 0.044 0.000 1.280 134 H CB 0.033 29.810 29.762 0.024 0.000 1.380 134 H HN 0.288 nan 8.280 nan 0.000 0.566 135 S N -0.255 115.209 115.700 -0.393 0.000 2.456 135 S HA -0.062 4.408 4.470 0.000 0.000 0.224 135 S C 2.034 176.577 174.600 -0.096 0.000 1.035 135 S CA -0.080 57.947 58.200 -0.288 0.000 0.940 135 S CB -0.910 62.105 63.200 -0.308 0.000 0.799 135 S HN 0.269 nan 8.310 nan 0.000 0.508 136 F N 4.887 124.741 119.950 -0.160 0.000 2.063 136 F HA -0.247 4.280 4.527 0.000 0.000 0.298 136 F C 2.068 177.800 175.800 -0.112 0.000 1.109 136 F CA 2.313 60.242 58.000 -0.119 0.000 1.212 136 F CB -0.632 38.319 39.000 -0.082 0.000 0.973 136 F HN 0.366 nan 8.300 nan 0.000 0.480 137 N N 0.465 119.228 118.700 0.106 0.000 2.309 137 N HA -0.096 4.644 4.740 0.000 0.000 0.182 137 N C 1.668 177.140 175.510 -0.063 0.000 1.018 137 N CA 1.094 54.158 53.050 0.024 0.000 0.876 137 N CB -1.158 37.361 38.487 0.053 0.000 0.972 137 N HN 0.292 nan 8.380 nan 0.000 0.434 138 A N 1.106 123.879 122.820 -0.077 0.000 2.032 138 A HA -0.064 4.256 4.320 0.000 0.000 0.221 138 A C 2.161 179.643 177.584 -0.171 0.000 1.165 138 A CA 0.996 52.972 52.037 -0.100 0.000 0.645 138 A CB -0.826 18.117 19.000 -0.094 0.000 0.807 138 A HN 0.319 nan 8.150 nan 0.000 0.453 139 L N -0.817 120.246 121.223 -0.267 0.000 2.093 139 L HA -0.113 4.227 4.340 0.000 0.000 0.208 139 L C 2.304 178.984 176.870 -0.317 0.000 1.085 139 L CA 0.797 55.393 54.840 -0.406 0.000 0.755 139 L CB -0.469 41.246 42.059 -0.575 0.000 0.904 139 L HN 0.360 nan 8.230 nan 0.000 0.435 140 L N -0.060 121.027 121.223 -0.227 0.000 2.362 140 L HA -0.170 4.170 4.340 0.000 0.000 0.219 140 L C 2.570 179.375 176.870 -0.109 0.000 1.134 140 L CA 0.941 55.690 54.840 -0.153 0.000 0.807 140 L CB -0.493 41.507 42.059 -0.098 0.000 0.927 140 L HN 0.329 nan 8.230 nan 0.000 0.447 141 K N 0.071 120.409 120.400 -0.103 0.000 2.103 141 K HA -0.107 4.213 4.320 0.000 0.000 0.204 141 K C 1.884 178.436 176.600 -0.079 0.000 1.052 141 K CA 1.581 57.825 56.287 -0.073 0.000 0.945 141 K CB 0.163 32.628 32.500 -0.060 0.000 0.722 141 K HN 0.191 nan 8.250 nan 0.000 0.443 142 T N 1.730 116.224 114.554 -0.101 0.000 2.894 142 T HA 0.013 4.363 4.350 0.000 0.000 0.258 142 T C 1.858 176.507 174.700 -0.084 0.000 1.043 142 T CA 0.526 62.581 62.100 -0.074 0.000 1.141 142 T CB -0.094 68.757 68.868 -0.027 0.000 0.873 142 T HN 0.104 nan 8.240 nan 0.000 0.449 143 L N 0.801 121.940 121.223 -0.141 0.000 2.043 143 L HA -0.167 4.173 4.340 0.000 0.000 0.212 143 L C 2.581 179.409 176.870 -0.070 0.000 1.075 143 L CA 1.633 56.406 54.840 -0.112 0.000 0.752 143 L CB -0.390 41.568 42.059 -0.169 0.000 0.891 143 L HN 0.338 nan 8.230 nan 0.000 0.432 144 E N -0.724 119.434 120.200 -0.070 0.000 2.435 144 E HA -0.048 4.302 4.350 0.000 0.000 0.195 144 E C -0.031 176.526 176.600 -0.072 0.000 1.029 144 E CA 0.364 56.736 56.400 -0.047 0.000 0.865 144 E CB 0.407 30.085 29.700 -0.036 0.000 0.833 144 E HN 0.438 nan 8.360 nan 0.000 0.510 145 E N 0.872 121.013 120.200 -0.098 0.000 3.832 145 E HA 0.139 4.489 4.350 0.000 0.000 0.250 145 E C -2.620 173.909 176.600 -0.119 0.000 1.215 145 E CA -1.136 55.202 56.400 -0.105 0.000 1.179 145 E CB 1.367 31.027 29.700 -0.065 0.000 1.270 145 E HN 0.082 nan 8.360 nan 0.000 0.405 146 P HA 0.318 nan 4.420 nan 0.000 0.286 146 P C -2.312 174.889 177.300 -0.165 0.000 1.261 146 P CA -1.422 61.597 63.100 -0.134 0.000 0.821 146 P CB 0.992 32.630 31.700 -0.103 0.000 1.013 147 P HA 0.119 nan 4.420 nan 0.000 0.271 147 P C 0.582 177.747 177.300 -0.226 0.000 1.244 147 P CA 0.059 63.021 63.100 -0.229 0.000 0.793 147 P CB 1.047 32.487 31.700 -0.433 0.000 0.984 148 E N -0.373 119.754 120.200 -0.122 0.000 2.107 148 E HA -0.190 4.160 4.350 0.000 0.000 0.191 148 E C 1.790 178.432 176.600 0.071 0.000 0.982 148 E CA 1.260 57.666 56.400 0.010 0.000 0.809 148 E CB -0.693 29.051 29.700 0.073 0.000 0.756 148 E HN 0.684 nan 8.360 nan 0.000 0.459 149 H N -1.058 118.064 119.070 0.087 0.000 2.547 149 H HA 0.155 4.711 4.556 0.000 0.000 0.272 149 H C 0.297 175.739 175.328 0.190 0.000 0.989 149 H CA 0.017 56.123 56.048 0.097 0.000 1.214 149 H CB -0.092 29.681 29.762 0.018 0.000 1.389 149 H HN -0.123 nan 8.280 nan 0.000 0.577 150 V N 1.530 121.357 119.914 -0.145 0.000 2.612 150 V HA 0.331 4.451 4.120 0.000 0.000 0.301 150 V C -0.047 175.981 176.094 -0.110 0.000 1.046 150 V CA -0.929 61.307 62.300 -0.107 0.000 0.946 150 V CB 1.740 33.414 31.823 -0.248 0.000 1.003 150 V HN 0.273 nan 8.190 nan 0.000 0.459 151 K N 2.820 123.098 120.400 -0.204 0.000 2.464 151 K HA 0.589 4.909 4.320 0.000 0.000 0.253 151 K C -1.627 174.794 176.600 -0.297 0.000 0.933 151 K CA -0.398 55.796 56.287 -0.156 0.000 0.801 151 K CB 2.422 34.884 32.500 -0.064 0.000 1.271 151 K HN 0.434 nan 8.250 nan 0.000 0.430 152 F N 2.291 122.349 119.950 0.180 0.000 2.449 152 F HA 0.459 4.986 4.527 0.000 0.000 0.342 152 F C 0.108 176.029 175.800 0.202 0.000 1.127 152 F CA -0.767 57.340 58.000 0.177 0.000 0.975 152 F CB 1.157 40.201 39.000 0.073 0.000 1.146 152 F HN 0.073 nan 8.300 nan 0.000 0.444 153 L N 5.684 127.149 121.223 0.403 0.000 2.294 153 L HA 0.566 4.906 4.340 0.000 0.000 0.283 153 L C -0.785 176.293 176.870 0.347 0.000 1.015 153 L CA -0.478 54.597 54.840 0.391 0.000 0.831 153 L CB 1.059 43.340 42.059 0.370 0.000 1.217 153 L HN 0.500 nan 8.230 nan 0.000 0.420 154 L N 2.960 124.355 121.223 0.286 0.000 2.330 154 L HA 0.945 5.285 4.340 0.000 0.000 0.271 154 L C 0.004 177.035 176.870 0.268 0.000 1.013 154 L CA -0.595 54.372 54.840 0.212 0.000 0.816 154 L CB 1.981 44.094 42.059 0.090 0.000 1.287 154 L HN 0.680 nan 8.230 nan 0.000 0.435 155 A N 0.898 123.846 122.820 0.213 0.000 2.486 155 A HA 0.808 5.128 4.320 0.000 0.000 0.300 155 A C -0.786 176.871 177.584 0.120 0.000 1.048 155 A CA -0.496 51.660 52.037 0.199 0.000 0.696 155 A CB 2.183 21.297 19.000 0.190 0.000 1.278 155 A HN 0.582 nan 8.150 nan 0.000 0.405 156 T N 0.055 114.639 114.554 0.049 0.000 3.097 156 T HA 0.421 4.771 4.350 0.000 0.000 0.332 156 T C 0.643 175.260 174.700 -0.139 0.000 1.269 156 T CA 0.395 62.456 62.100 -0.066 0.000 1.076 156 T CB 1.249 70.020 68.868 -0.161 0.000 1.209 156 T HN 0.582 nan 8.240 nan 0.000 0.474 157 T N 2.849 117.305 114.554 -0.162 0.000 2.995 157 T HA 0.100 4.450 4.350 0.000 0.000 0.269 157 T C 0.136 174.742 174.700 -0.157 0.000 1.091 157 T CA 1.034 63.075 62.100 -0.098 0.000 1.128 157 T CB -0.184 68.686 68.868 0.003 0.000 0.891 157 T HN 0.618 nan 8.240 nan 0.000 0.492 158 D N -0.408 119.777 120.400 -0.358 0.000 2.602 158 D HA 0.313 4.953 4.640 0.000 0.000 0.245 158 D C -2.269 173.871 176.300 -0.266 0.000 1.325 158 D CA -1.985 51.866 54.000 -0.248 0.000 0.952 158 D CB 1.981 42.693 40.800 -0.146 0.000 1.317 158 D HN -0.195 nan 8.370 nan 0.000 0.577 159 P HA -0.059 nan 4.420 nan 0.000 0.217 159 P C 1.050 178.338 177.300 -0.019 0.000 1.154 159 P CA 0.829 63.887 63.100 -0.069 0.000 0.841 159 P CB 0.335 32.012 31.700 -0.038 0.000 0.788 160 Q N 0.082 119.878 119.800 -0.007 0.000 2.325 160 Q HA -0.183 4.157 4.340 0.000 0.000 0.211 160 Q C 1.345 177.365 176.000 0.032 0.000 0.988 160 Q CA 1.424 57.236 55.803 0.015 0.000 0.887 160 Q CB -0.661 28.087 28.738 0.017 0.000 0.915 160 Q HN 0.311 nan 8.270 nan 0.000 0.440 161 K N -0.153 120.281 120.400 0.057 0.000 2.437 161 K HA 0.168 4.488 4.320 0.000 0.000 0.198 161 K C -0.485 176.180 176.600 0.107 0.000 1.024 161 K CA -0.033 56.311 56.287 0.095 0.000 1.148 161 K CB 0.379 32.991 32.500 0.188 0.000 0.860 161 K HN 0.135 nan 8.250 nan 0.000 0.515 162 L N 3.126 124.412 121.223 0.105 0.000 2.287 162 L HA 0.325 4.665 4.340 0.000 0.000 0.287 162 L C -2.108 174.827 176.870 0.108 0.000 1.022 162 L CA -2.302 52.635 54.840 0.162 0.000 0.814 162 L CB 1.281 43.428 42.059 0.147 0.000 1.217 162 L HN -0.058 nan 8.230 nan 0.000 0.420 163 P HA -0.008 nan 4.420 nan 0.000 0.269 163 P C 0.904 178.242 177.300 0.063 0.000 1.209 163 P CA -0.292 62.856 63.100 0.081 0.000 0.776 163 P CB 1.150 32.912 31.700 0.103 0.000 0.876 164 V N 1.704 121.635 119.914 0.028 0.000 2.828 164 V HA -0.229 3.891 4.120 0.000 0.000 0.260 164 V C 2.523 178.617 176.094 -0.001 0.000 1.101 164 V CA 2.388 64.692 62.300 0.006 0.000 1.123 164 V CB -2.338 29.483 31.823 -0.003 0.000 0.704 164 V HN 0.703 nan 8.190 nan 0.000 0.493 165 T N -1.289 113.274 114.554 0.015 0.000 2.788 165 T HA -0.093 4.257 4.350 0.000 0.000 0.268 165 T C 1.786 176.469 174.700 -0.028 0.000 1.044 165 T CA 1.649 63.749 62.100 -0.000 0.000 1.139 165 T CB -0.264 68.616 68.868 0.020 0.000 0.867 165 T HN 0.458 nan 8.240 nan 0.000 0.454 166 I N 0.226 120.784 120.570 -0.020 0.000 2.628 166 I HA 0.144 4.314 4.170 0.000 0.000 0.255 166 I C 2.367 178.438 176.117 -0.077 0.000 1.119 166 I CA 0.466 61.720 61.300 -0.076 0.000 1.448 166 I CB -0.173 37.763 38.000 -0.106 0.000 1.133 166 I HN 0.167 nan 8.210 nan 0.000 0.438 167 L N 0.905 122.100 121.223 -0.046 0.000 2.353 167 L HA -0.172 4.168 4.340 0.000 0.000 0.220 167 L C 2.548 179.366 176.870 -0.086 0.000 1.133 167 L CA 1.536 56.338 54.840 -0.063 0.000 0.798 167 L CB -0.448 41.589 42.059 -0.038 0.000 0.922 167 L HN 0.394 nan 8.230 nan 0.000 0.445 168 S N -1.210 114.445 115.700 -0.075 0.000 2.470 168 S HA -0.014 4.456 4.470 0.000 0.000 0.222 168 S C 1.878 176.420 174.600 -0.095 0.000 1.024 168 S CA -0.292 57.860 58.200 -0.080 0.000 0.931 168 S CB 0.019 63.186 63.200 -0.055 0.000 0.791 168 S HN 0.370 nan 8.310 nan 0.000 0.513 169 R N -0.062 120.382 120.500 -0.093 0.000 2.240 169 R HA 0.267 4.607 4.340 0.000 0.000 0.203 169 R C 0.053 176.274 176.300 -0.132 0.000 1.011 169 R CA 0.231 56.279 56.100 -0.087 0.000 1.007 169 R CB -0.295 29.963 30.300 -0.070 0.000 0.911 169 R HN 0.371 nan 8.270 nan 0.000 0.468 170 C N 0.649 119.844 119.300 -0.175 0.000 2.399 170 C HA 0.391 4.851 4.460 0.000 0.000 0.348 170 C C -0.065 174.719 174.990 -0.343 0.000 1.183 170 C CA -1.109 57.758 59.018 -0.252 0.000 2.023 170 C CB 1.256 28.865 27.740 -0.218 0.000 2.361 170 C HN 0.243 nan 8.230 nan 0.000 0.521 171 L N 3.552 124.477 121.223 -0.497 0.000 2.314 171 L HA 0.323 4.663 4.340 0.000 0.000 0.275 171 L C 0.274 176.749 176.870 -0.659 0.000 1.068 171 L CA 0.319 54.788 54.840 -0.618 0.000 0.894 171 L CB -0.082 41.495 42.059 -0.802 0.000 1.275 171 L HN 0.827 nan 8.230 nan 0.000 0.432 172 Q N 2.448 121.929 119.800 -0.532 0.000 2.261 172 Q HA 0.504 4.844 4.340 0.000 0.000 0.252 172 Q C -1.400 174.301 176.000 -0.498 0.000 0.915 172 Q CA -0.308 55.231 55.803 -0.441 0.000 0.915 172 Q CB 1.163 29.764 28.738 -0.229 0.000 1.204 172 Q HN 0.424 nan 8.270 nan 0.000 0.421 173 F N 1.040 120.939 119.950 -0.085 0.000 2.495 173 F HA 0.288 4.815 4.527 0.000 0.000 0.327 173 F C -0.039 175.833 175.800 0.120 0.000 1.103 173 F CA -0.921 57.108 58.000 0.048 0.000 0.949 173 F CB 1.669 40.735 39.000 0.111 0.000 1.142 173 F HN 0.643 nan 8.300 nan 0.000 0.457 174 H N 4.762 124.011 119.070 0.298 0.000 2.519 174 H HA 0.461 5.017 4.556 0.000 0.000 0.316 174 H C -1.020 174.415 175.328 0.180 0.000 1.065 174 H CA -0.490 55.674 56.048 0.194 0.000 1.264 174 H CB 0.954 30.785 29.762 0.116 0.000 1.413 174 H HN 0.548 nan 8.280 nan 0.000 0.465 175 L N 6.069 127.495 121.223 0.337 0.000 2.257 175 L HA 0.237 4.577 4.340 0.000 0.000 0.290 175 L C 0.695 177.746 176.870 0.301 0.000 1.044 175 L CA -0.723 54.263 54.840 0.243 0.000 0.810 175 L CB 0.665 42.797 42.059 0.122 0.000 1.193 175 L HN 0.358 nan 8.230 nan 0.000 0.425 179 D N 0.310 120.708 120.400 -0.003 0.000 2.361 179 D HA 0.227 4.867 4.640 0.000 0.000 0.239 179 D C 0.808 177.106 176.300 -0.003 0.000 1.200 179 D CA -0.080 53.918 54.000 -0.004 0.000 0.915 179 D CB 1.635 42.430 40.800 -0.007 0.000 1.170 179 D HN 0.228 nan 8.370 nan 0.000 0.444 180 V N 1.875 121.787 119.914 -0.004 0.000 2.220 180 V HA -0.246 3.874 4.120 0.000 0.000 0.246 180 V C 2.283 178.380 176.094 0.005 0.000 1.049 180 V CA 2.393 64.692 62.300 -0.002 0.000 1.003 180 V CB -0.785 31.035 31.823 -0.005 0.000 0.634 180 V HN 0.727 nan 8.190 nan 0.000 0.444 181 E N -0.748 119.457 120.200 0.008 0.000 2.147 181 E HA -0.343 4.007 4.350 0.000 0.000 0.199 181 E C 2.306 178.927 176.600 0.035 0.000 1.005 181 E CA 1.886 58.301 56.400 0.025 0.000 0.810 181 E CB -0.146 29.568 29.700 0.024 0.000 0.736 181 E HN 0.607 nan 8.360 nan 0.000 0.460 182 Q N -0.134 119.671 119.800 0.008 0.000 2.112 182 Q HA -0.203 4.137 4.340 0.000 0.000 0.206 182 Q C 2.107 178.121 176.000 0.023 0.000 0.987 182 Q CA 1.643 57.447 55.803 0.001 0.000 0.858 182 Q CB -0.017 28.712 28.738 -0.016 0.000 0.905 182 Q HN 0.417 nan 8.270 nan 0.000 0.420 183 I N -0.233 120.343 120.570 0.010 0.000 2.277 183 I HA -0.226 3.944 4.170 0.000 0.000 0.243 183 I C 2.607 178.719 176.117 -0.007 0.000 1.094 183 I CA 0.542 61.839 61.300 -0.005 0.000 1.393 183 I CB -0.418 37.573 38.000 -0.015 0.000 1.078 183 I HN 0.216 nan 8.210 nan 0.000 0.417 184 R N 0.969 121.473 120.500 0.006 0.000 2.112 184 R HA -0.294 4.046 4.340 0.000 0.000 0.242 184 R C 2.355 178.653 176.300 -0.003 0.000 1.137 184 R CA 2.090 58.189 56.100 -0.003 0.000 0.944 184 R CB -1.141 29.170 30.300 0.019 0.000 0.857 184 R HN 0.441 nan 8.270 nan 0.000 0.435 185 H N 0.002 119.045 119.070 -0.045 0.000 2.422 185 H HA -0.152 4.404 4.556 0.000 0.000 0.298 185 H C 1.954 177.253 175.328 -0.048 0.000 1.098 185 H CA 2.215 58.239 56.048 -0.039 0.000 1.315 185 H CB 0.284 30.028 29.762 -0.031 0.000 1.382 185 H HN 0.305 nan 8.280 nan 0.000 0.523 186 Q N 0.650 120.472 119.800 0.037 0.000 2.096 186 Q HA -0.023 4.317 4.340 0.000 0.000 0.197 186 Q C 2.707 178.632 176.000 -0.125 0.000 0.964 186 Q CA 0.971 56.756 55.803 -0.031 0.000 0.838 186 Q CB -0.339 28.374 28.738 -0.042 0.000 0.906 186 Q HN 0.468 nan 8.270 nan 0.000 0.444 187 L N 0.495 121.630 121.223 -0.148 0.000 1.990 187 L HA -0.252 4.088 4.340 0.000 0.000 0.213 187 L C 2.555 179.262 176.870 -0.271 0.000 1.072 187 L CA 2.071 56.784 54.840 -0.211 0.000 0.755 187 L CB -0.675 41.285 42.059 -0.166 0.000 0.889 187 L HN 0.450 nan 8.230 nan 0.000 0.432 188 E N -0.394 119.640 120.200 -0.276 0.000 2.035 188 E HA -0.356 3.994 4.350 0.000 0.000 0.204 188 E C 2.265 178.664 176.600 -0.335 0.000 1.025 188 E CA 1.800 57.965 56.400 -0.391 0.000 0.835 188 E CB -0.289 29.215 29.700 -0.328 0.000 0.764 188 E HN 0.476 nan 8.360 nan 0.000 0.457 189 H N 0.385 119.260 119.070 -0.327 0.000 2.431 189 H HA -0.174 4.382 4.556 0.000 0.000 0.297 189 H C 2.084 177.274 175.328 -0.231 0.000 1.115 189 H CA 1.928 57.831 56.048 -0.242 0.000 1.277 189 H CB -0.090 29.562 29.762 -0.184 0.000 1.372 189 H HN 0.290 nan 8.280 nan 0.000 0.516 190 I N 0.145 120.530 120.570 -0.309 0.000 2.406 190 I HA -0.217 3.953 4.170 0.000 0.000 0.249 190 I C 2.491 178.416 176.117 -0.321 0.000 1.122 190 I CA 0.447 61.489 61.300 -0.431 0.000 1.431 190 I CB -0.058 37.532 38.000 -0.684 0.000 1.087 190 I HN 0.150 nan 8.210 nan 0.000 0.424 191 L N 0.317 121.353 121.223 -0.311 0.000 2.240 191 L HA -0.092 4.248 4.340 0.000 0.000 0.211 191 L C 2.177 178.957 176.870 -0.151 0.000 1.106 191 L CA 0.674 55.382 54.840 -0.219 0.000 0.793 191 L CB -0.626 41.268 42.059 -0.274 0.000 0.927 191 L HN 0.296 nan 8.230 nan 0.000 0.446 192 N N 0.420 118.989 118.700 -0.219 0.000 2.092 192 N HA -0.202 4.538 4.740 0.000 0.000 0.189 192 N C 1.760 177.098 175.510 -0.286 0.000 1.040 192 N CA 1.231 54.193 53.050 -0.147 0.000 0.845 192 N CB -0.115 38.276 38.487 -0.160 0.000 1.017 192 N HN 0.304 nan 8.380 nan 0.000 0.426 193 E N 0.553 120.542 120.200 -0.351 0.000 2.209 193 E HA -0.149 4.201 4.350 0.000 0.000 0.196 193 E C 0.773 177.179 176.600 -0.323 0.000 0.993 193 E CA 0.855 57.047 56.400 -0.347 0.000 0.819 193 E CB 0.221 29.759 29.700 -0.270 0.000 0.745 193 E HN 0.186 nan 8.360 nan 0.000 0.477 194 E N -0.219 119.857 120.200 -0.206 0.000 2.489 194 E HA -0.040 4.310 4.350 0.000 0.000 0.193 194 E C -0.556 176.033 176.600 -0.019 0.000 1.057 194 E CA 0.166 56.519 56.400 -0.078 0.000 0.866 194 E CB 0.128 29.828 29.700 0.001 0.000 0.916 194 E HN 0.275 nan 8.360 nan 0.000 0.500 195 H N -0.485 118.592 119.070 0.012 0.000 2.702 195 H HA -0.186 4.370 4.556 0.000 0.000 0.328 195 H C -0.306 175.036 175.328 0.024 0.000 1.111 195 H CA 0.699 56.758 56.048 0.018 0.000 1.109 195 H CB -2.052 27.717 29.762 0.011 0.000 1.606 195 H HN 0.164 nan 8.280 nan 0.000 0.399 196 I N -0.071 120.577 120.570 0.130 0.000 2.582 196 I HA 0.470 4.641 4.170 0.000 0.000 0.292 196 I C 0.560 176.749 176.117 0.120 0.000 1.066 196 I CA -0.897 60.461 61.300 0.097 0.000 1.053 196 I CB 2.071 40.108 38.000 0.060 0.000 1.241 196 I HN 0.432 nan 8.210 nan 0.000 0.421 197 A N 6.253 129.112 122.820 0.065 0.000 2.524 197 A HA 0.350 4.670 4.320 0.000 0.000 0.250 197 A C -0.312 177.302 177.584 0.050 0.000 1.078 197 A CA 0.368 52.413 52.037 0.015 0.000 0.761 197 A CB -0.294 18.700 19.000 -0.010 0.000 1.012 197 A HN 0.849 nan 8.150 nan 0.000 0.500 198 H N 0.690 119.750 119.070 -0.016 0.000 2.961 198 H HA 0.644 5.200 4.556 0.000 0.000 0.371 198 H C -1.267 174.049 175.328 -0.021 0.000 1.190 198 H CA -0.751 55.283 56.048 -0.024 0.000 1.138 198 H CB 1.224 30.964 29.762 -0.038 0.000 1.816 198 H HN 0.623 nan 8.280 nan 0.000 0.551 199 E N 1.444 121.688 120.200 0.073 0.000 2.249 199 E HA 0.254 4.604 4.350 0.000 0.000 0.263 199 E C -1.901 174.763 176.600 0.107 0.000 0.950 199 E CA -2.285 54.133 56.400 0.029 0.000 0.827 199 E CB 2.466 32.174 29.700 0.014 0.000 1.220 199 E HN 0.370 nan 8.360 nan 0.000 0.411 200 P HA -0.082 nan 4.420 nan 0.000 0.213 200 P C 1.063 178.390 177.300 0.044 0.000 1.170 200 P CA 1.061 64.201 63.100 0.067 0.000 0.889 200 P CB 0.186 31.913 31.700 0.044 0.000 0.782 201 R N -0.228 120.290 120.500 0.030 0.000 2.200 201 R HA -0.111 4.229 4.340 0.000 0.000 0.234 201 R C 1.911 178.221 176.300 0.017 0.000 1.127 201 R CA 1.311 57.424 56.100 0.021 0.000 0.989 201 R CB -0.633 29.676 30.300 0.015 0.000 0.869 201 R HN 0.080 nan 8.270 nan 0.000 0.459 202 A N 0.874 123.708 122.820 0.024 0.000 1.855 202 A HA -0.107 4.213 4.320 0.000 0.000 0.215 202 A C 2.086 179.674 177.584 0.007 0.000 1.191 202 A CA 1.005 53.052 52.037 0.017 0.000 0.613 202 A CB -0.494 18.523 19.000 0.028 0.000 0.829 202 A HN 0.314 nan 8.150 nan 0.000 0.442 203 L N -0.424 120.804 121.223 0.009 0.000 2.191 203 L HA -0.233 4.107 4.340 0.000 0.000 0.212 203 L C 2.863 179.725 176.870 -0.014 0.000 1.103 203 L CA 1.033 55.861 54.840 -0.020 0.000 0.769 203 L CB -0.621 41.414 42.059 -0.040 0.000 0.908 203 L HN 0.457 nan 8.230 nan 0.000 0.438 204 Q N 0.166 119.967 119.800 0.001 0.000 1.990 204 Q HA -0.142 4.198 4.340 0.000 0.000 0.200 204 Q C 2.452 178.451 176.000 -0.001 0.000 0.980 204 Q CA 1.326 57.131 55.803 0.004 0.000 0.832 204 Q CB -0.419 28.326 28.738 0.012 0.000 0.897 204 Q HN 0.500 nan 8.270 nan 0.000 0.427 205 L N 0.628 121.850 121.223 -0.001 0.000 2.081 205 L HA -0.223 4.117 4.340 0.000 0.000 0.212 205 L C 2.491 179.356 176.870 -0.009 0.000 1.080 205 L CA 0.901 55.738 54.840 -0.004 0.000 0.754 205 L CB -0.392 41.664 42.059 -0.004 0.000 0.893 205 L HN 0.192 nan 8.230 nan 0.000 0.433 206 L N -1.142 120.073 121.223 -0.013 0.000 2.072 206 L HA -0.155 4.185 4.340 0.000 0.000 0.205 206 L C 2.793 179.650 176.870 -0.021 0.000 1.079 206 L CA 1.047 55.875 54.840 -0.020 0.000 0.752 206 L CB -0.539 41.502 42.059 -0.030 0.000 0.906 206 L HN 0.230 nan 8.230 nan 0.000 0.436 207 A N 0.137 122.945 122.820 -0.021 0.000 1.855 207 A HA -0.183 4.137 4.320 0.000 0.000 0.215 207 A C 2.329 179.907 177.584 -0.011 0.000 1.191 207 A CA 1.287 53.313 52.037 -0.018 0.000 0.613 207 A CB -0.462 18.529 19.000 -0.014 0.000 0.829 207 A HN 0.294 nan 8.150 nan 0.000 0.442 208 R N -0.387 120.108 120.500 -0.008 0.000 2.127 208 R HA -0.103 4.237 4.340 0.000 0.000 0.238 208 R C 2.374 178.671 176.300 -0.004 0.000 1.134 208 R CA 1.139 57.236 56.100 -0.005 0.000 0.975 208 R CB -0.470 29.828 30.300 -0.003 0.000 0.865 208 R HN 0.524 nan 8.270 nan 0.000 0.447 209 A N 1.594 124.410 122.820 -0.006 0.000 1.930 209 A HA 0.060 4.380 4.320 0.000 0.000 0.217 209 A C 1.310 178.891 177.584 -0.004 0.000 1.175 209 A CA 1.095 53.128 52.037 -0.005 0.000 0.627 209 A CB -0.182 18.814 19.000 -0.008 0.000 0.815 209 A HN 0.322 nan 8.150 nan 0.000 0.443 210 A N 0.965 123.781 122.820 -0.007 0.000 2.376 210 A HA 0.433 4.753 4.320 0.000 0.000 0.298 210 A C -0.322 177.261 177.584 -0.002 0.000 1.271 210 A CA -0.393 51.640 52.037 -0.006 0.000 0.926 210 A CB -0.364 18.629 19.000 -0.012 0.000 1.141 210 A HN 0.492 nan 8.150 nan 0.000 0.539 211 E N 2.130 122.332 120.200 0.003 0.000 1.775 211 E HA 0.367 4.717 4.350 0.000 0.000 0.266 211 E C 1.179 177.785 176.600 0.009 0.000 1.191 211 E CA 0.634 57.038 56.400 0.006 0.000 1.048 211 E CB 0.002 29.708 29.700 0.010 0.000 1.081 211 E HN 1.109 nan 8.360 nan 0.000 0.434 212 G N 2.786 111.589 108.800 0.006 0.000 2.184 212 G HA2 -0.339 3.621 3.960 0.000 0.000 0.264 212 G HA3 -0.339 3.621 3.960 0.000 0.000 0.264 212 G C 0.300 175.205 174.900 0.007 0.000 0.975 212 G CA 0.492 45.597 45.100 0.008 0.000 0.642 212 G HN 0.569 nan 8.290 nan 0.000 0.536 213 S N -0.471 115.231 115.700 0.004 0.000 2.474 213 S HA 0.667 5.137 4.470 0.000 0.000 0.321 213 S C 0.891 175.488 174.600 -0.005 0.000 1.080 213 S CA -0.325 57.877 58.200 0.003 0.000 1.106 213 S CB 2.102 65.306 63.200 0.007 0.000 0.984 213 S HN 0.632 nan 8.310 nan 0.000 0.464 214 L N 3.299 124.518 121.223 -0.007 0.000 2.156 214 L HA 0.137 4.477 4.340 0.000 0.000 0.208 214 L C 2.573 179.435 176.870 -0.014 0.000 1.095 214 L CA 1.465 56.295 54.840 -0.017 0.000 0.770 214 L CB -0.804 41.246 42.059 -0.015 0.000 0.914 214 L HN 0.912 nan 8.230 nan 0.000 0.439 215 R N -0.344 120.155 120.500 -0.001 0.000 2.097 215 R HA -0.205 4.135 4.340 0.000 0.000 0.236 215 R C 1.855 178.155 176.300 0.000 0.000 1.135 215 R CA 2.287 58.391 56.100 0.007 0.000 0.934 215 R CB -0.349 29.957 30.300 0.010 0.000 0.846 215 R HN 0.402 nan 8.270 nan 0.000 0.431 216 D N 0.057 120.457 120.400 -0.001 0.000 2.117 216 D HA -0.110 4.530 4.640 0.000 0.000 0.198 216 D C 1.819 178.111 176.300 -0.014 0.000 0.982 216 D CA 1.288 55.286 54.000 -0.004 0.000 0.828 216 D CB -0.388 40.413 40.800 -0.000 0.000 0.967 216 D HN 0.414 nan 8.370 nan 0.000 0.464 217 A N 1.243 124.050 122.820 -0.022 0.000 1.915 217 A HA -0.218 4.102 4.320 0.000 0.000 0.220 217 A C 2.401 179.955 177.584 -0.050 0.000 1.198 217 A CA 1.386 53.401 52.037 -0.036 0.000 0.647 217 A CB -0.957 18.017 19.000 -0.045 0.000 0.825 217 A HN 0.237 nan 8.150 nan 0.000 0.456 218 L N -0.114 121.076 121.223 -0.056 0.000 2.109 218 L HA -0.131 4.209 4.340 0.000 0.000 0.207 218 L C 2.972 179.820 176.870 -0.038 0.000 1.086 218 L CA 1.422 56.221 54.840 -0.069 0.000 0.760 218 L CB -0.460 41.554 42.059 -0.075 0.000 0.910 218 L HN 0.621 nan 8.230 nan 0.000 0.437 219 S N 0.051 115.740 115.700 -0.018 0.000 2.419 219 S HA -0.114 4.356 4.470 0.000 0.000 0.233 219 S C 1.905 176.499 174.600 -0.010 0.000 1.016 219 S CA 0.832 59.028 58.200 -0.006 0.000 0.974 219 S CB -0.346 62.855 63.200 0.002 0.000 0.786 219 S HN 0.380 nan 8.310 nan 0.000 0.492 220 L N 0.727 121.940 121.223 -0.017 0.000 2.095 220 L HA -0.003 4.337 4.340 0.000 0.000 0.204 220 L C 2.906 179.764 176.870 -0.021 0.000 1.080 220 L CA 1.417 56.247 54.840 -0.016 0.000 0.759 220 L CB -1.162 40.886 42.059 -0.017 0.000 0.914 220 L HN 0.338 nan 8.230 nan 0.000 0.439 221 T N -0.904 113.629 114.554 -0.034 0.000 2.803 221 T HA -0.183 4.167 4.350 0.000 0.000 0.269 221 T C 1.392 176.074 174.700 -0.029 0.000 1.052 221 T CA 1.304 63.379 62.100 -0.042 0.000 1.136 221 T CB -0.203 68.620 68.868 -0.075 0.000 0.864 221 T HN 0.300 nan 8.240 nan 0.000 0.467 222 D N 0.567 120.954 120.400 -0.022 0.000 2.224 222 D HA -0.022 4.618 4.640 0.000 0.000 0.205 222 D C 2.182 178.480 176.300 -0.003 0.000 0.965 222 D CA 0.685 54.680 54.000 -0.008 0.000 0.852 222 D CB -0.018 40.782 40.800 0.001 0.000 0.947 222 D HN 0.229 nan 8.370 nan 0.000 0.494 223 Q N -0.148 119.649 119.800 -0.004 0.000 2.425 223 Q HA 0.145 4.486 4.340 0.000 0.000 0.204 223 Q C 1.590 177.588 176.000 -0.003 0.000 0.933 223 Q CA 0.055 55.857 55.803 -0.002 0.000 0.939 223 Q CB 0.556 29.293 28.738 -0.002 0.000 1.044 223 Q HN 0.182 nan 8.270 nan 0.000 0.513 224 A N -0.180 122.636 122.820 -0.006 0.000 2.030 224 A HA 0.043 4.363 4.320 0.000 0.000 0.215 224 A C 1.923 179.507 177.584 -0.001 0.000 1.164 224 A CA 0.298 52.332 52.037 -0.005 0.000 0.697 224 A CB -0.145 18.850 19.000 -0.008 0.000 0.827 224 A HN 0.282 nan 8.150 nan 0.000 0.457 225 I N -0.497 120.073 120.570 -0.001 0.000 2.617 225 I HA -0.151 4.019 4.170 0.000 0.000 0.256 225 I C 2.700 178.820 176.117 0.005 0.000 1.167 225 I CA 0.889 62.191 61.300 0.003 0.000 1.469 225 I CB -0.060 37.943 38.000 0.004 0.000 1.098 225 I HN 0.356 nan 8.210 nan 0.000 0.436 226 A N 0.343 123.165 122.820 0.004 0.000 1.911 226 A HA -0.116 4.204 4.320 0.000 0.000 0.212 226 A C 2.460 180.046 177.584 0.003 0.000 1.189 226 A CA 1.303 53.343 52.037 0.005 0.000 0.639 226 A CB -0.627 18.376 19.000 0.005 0.000 0.839 226 A HN 0.415 nan 8.150 nan 0.000 0.449 227 S N 0.116 115.816 115.700 0.001 0.000 2.345 227 S HA 0.177 4.647 4.470 0.000 0.000 0.220 227 S C 1.529 176.128 174.600 -0.000 0.000 1.031 227 S CA 1.262 59.462 58.200 -0.000 0.000 0.996 227 S CB -1.071 62.128 63.200 -0.002 0.000 0.882 227 S HN 0.698 nan 8.310 nan 0.000 0.445 228 G N 1.410 110.210 108.800 -0.000 0.000 2.546 228 G HA2 0.394 4.354 3.960 0.000 0.000 0.239 228 G HA3 0.394 4.354 3.960 0.000 0.000 0.239 228 G C -0.662 174.239 174.900 0.001 0.000 1.476 228 G CA -0.387 44.713 45.100 -0.000 0.000 1.064 228 G HN 0.429 nan 8.290 nan 0.000 0.561 229 D N -0.479 119.922 120.400 0.001 0.000 2.398 229 D HA 0.301 4.941 4.640 0.000 0.000 0.247 229 D C 0.963 177.267 176.300 0.005 0.000 1.227 229 D CA 0.068 54.069 54.000 0.002 0.000 0.980 229 D CB 0.556 41.356 40.800 0.001 0.000 1.106 229 D HN 0.403 nan 8.370 nan 0.000 0.493 230 G N 0.452 109.256 108.800 0.007 0.000 3.090 230 G HA2 0.083 4.043 3.960 0.000 0.000 0.259 230 G HA3 0.083 4.043 3.960 0.000 0.000 0.259 230 G C -0.012 174.897 174.900 0.014 0.000 0.797 230 G CA 0.114 45.221 45.100 0.011 0.000 2.032 230 G HN 0.205 nan 8.290 nan 0.000 0.614 231 Q N -0.128 119.680 119.800 0.013 0.000 2.268 231 Q HA 0.217 4.557 4.340 0.000 0.000 0.266 231 Q C -1.100 174.911 176.000 0.019 0.000 1.006 231 Q CA -0.743 55.070 55.803 0.017 0.000 0.824 231 Q CB 3.026 31.768 28.738 0.007 0.000 1.306 231 Q HN 0.063 nan 8.270 nan 0.000 0.424 232 V N 2.992 122.926 119.914 0.034 0.000 2.276 232 V HA 0.137 4.257 4.120 0.000 0.000 0.249 232 V C 0.041 176.157 176.094 0.036 0.000 1.160 232 V CA 0.007 62.326 62.300 0.032 0.000 1.042 232 V CB -0.234 31.611 31.823 0.037 0.000 1.224 232 V HN 0.716 nan 8.190 nan 0.000 0.496 233 S N 2.054 117.765 115.700 0.017 0.000 2.608 233 S HA 0.344 4.814 4.470 0.000 0.000 0.291 233 S C 1.177 175.781 174.600 0.007 0.000 1.146 233 S CA -0.438 57.768 58.200 0.010 0.000 1.043 233 S CB 1.635 64.836 63.200 0.002 0.000 1.037 233 S HN 0.478 nan 8.310 nan 0.000 0.520 234 T N 1.423 115.980 114.554 0.005 0.000 2.699 234 T HA -0.211 4.139 4.350 0.000 0.000 0.268 234 T C 1.797 176.496 174.700 -0.003 0.000 1.036 234 T CA 2.008 64.109 62.100 0.002 0.000 1.147 234 T CB -0.486 68.382 68.868 0.001 0.000 0.862 234 T HN 0.772 nan 8.240 nan 0.000 0.446 235 Q N 0.248 120.045 119.800 -0.004 0.000 2.096 235 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 235 Q C 2.433 178.429 176.000 -0.007 0.000 0.982 235 Q CA 1.614 57.413 55.803 -0.007 0.000 0.850 235 Q CB -0.239 28.495 28.738 -0.007 0.000 0.901 235 Q HN 0.588 nan 8.270 nan 0.000 0.422 236 A N -0.458 122.360 122.820 -0.004 0.000 1.854 236 A HA -0.089 4.231 4.320 0.000 0.000 0.214 236 A C 2.189 179.770 177.584 -0.006 0.000 1.192 236 A CA 1.252 53.287 52.037 -0.004 0.000 0.611 236 A CB -0.723 18.276 19.000 -0.001 0.000 0.832 236 A HN 0.276 nan 8.150 nan 0.000 0.442 237 V N 1.296 121.207 119.914 -0.004 0.000 2.252 237 V HA -0.256 3.864 4.120 0.000 0.000 0.249 237 V C 2.745 178.834 176.094 -0.009 0.000 1.056 237 V CA 2.443 64.739 62.300 -0.006 0.000 1.022 237 V CB -1.110 30.710 31.823 -0.005 0.000 0.641 237 V HN 0.778 nan 8.190 nan 0.000 0.445 238 S N 0.156 115.850 115.700 -0.010 0.000 2.660 238 S HA 0.204 4.674 4.470 0.000 0.000 0.223 238 S C 1.603 176.193 174.600 -0.017 0.000 0.963 238 S CA 0.730 58.921 58.200 -0.014 0.000 0.932 238 S CB 0.001 63.191 63.200 -0.016 0.000 0.775 238 S HN 0.553 nan 8.310 nan 0.000 0.531 239 A N 1.494 124.306 122.820 -0.013 0.000 1.997 239 A HA 0.401 4.721 4.320 0.000 0.000 0.212 239 A C 2.133 179.709 177.584 -0.013 0.000 1.178 239 A CA 0.450 52.479 52.037 -0.014 0.000 0.698 239 A CB -0.343 18.651 19.000 -0.011 0.000 0.842 239 A HN 0.554 nan 8.150 nan 0.000 0.458 240 M N -0.187 119.407 119.600 -0.011 0.000 2.191 240 M HA 0.161 4.641 4.480 0.000 0.000 0.262 240 M C 0.587 176.880 176.300 -0.011 0.000 1.083 240 M CA 0.614 55.909 55.300 -0.010 0.000 1.154 240 M CB -0.487 32.108 32.600 -0.008 0.000 1.344 240 M HN 0.210 nan 8.290 nan 0.000 0.431 244 L N 1.153 122.344 121.223 -0.053 0.000 2.083 244 L HA -0.004 4.336 4.340 0.000 0.000 0.209 244 L C 1.536 178.384 176.870 -0.036 0.000 1.083 244 L CA 1.576 56.384 54.840 -0.054 0.000 0.752 244 L CB -0.307 41.716 42.059 -0.061 0.000 0.899 244 L HN 0.975 nan 8.230 nan 0.000 0.433 245 D N -0.647 119.737 120.400 -0.026 0.000 3.041 245 D HA -0.175 4.465 4.640 0.000 0.000 0.220 245 D C -0.507 175.784 176.300 -0.015 0.000 1.157 245 D CA 0.741 54.731 54.000 -0.018 0.000 0.876 245 D CB -0.779 40.011 40.800 -0.018 0.000 1.107 245 D HN 0.383 nan 8.370 nan 0.000 0.422 246 D N -0.496 119.893 120.400 -0.017 0.000 2.490 246 D HA 0.209 4.849 4.640 0.000 0.000 0.232 246 D C 0.436 176.732 176.300 -0.007 0.000 1.053 246 D CA -0.573 53.419 54.000 -0.013 0.000 0.914 246 D CB 0.967 41.756 40.800 -0.017 0.000 1.431 246 D HN -0.144 nan 8.370 nan 0.000 0.483 247 D N 0.592 120.991 120.400 -0.003 0.000 2.379 247 D HA -0.086 4.554 4.640 0.000 0.000 0.243 247 D C 1.753 178.055 176.300 0.004 0.000 1.088 247 D CA 0.505 54.507 54.000 0.002 0.000 0.925 247 D CB 0.170 40.971 40.800 0.003 0.000 0.888 247 D HN 0.412 nan 8.370 nan 0.000 0.529 248 Q N 0.616 120.416 119.800 0.000 0.000 2.077 248 Q HA -0.209 4.131 4.340 0.000 0.000 0.206 248 Q C 2.190 178.199 176.000 0.015 0.000 0.989 248 Q CA 1.662 57.469 55.803 0.006 0.000 0.853 248 Q CB -0.414 28.322 28.738 -0.003 0.000 0.907 248 Q HN 0.278 nan 8.270 nan 0.000 0.418 249 A N 1.363 124.191 122.820 0.014 0.000 1.908 249 A HA -0.172 4.148 4.320 0.000 0.000 0.218 249 A C 2.136 179.732 177.584 0.021 0.000 1.181 249 A CA 1.464 53.514 52.037 0.023 0.000 0.627 249 A CB -0.609 18.405 19.000 0.022 0.000 0.818 249 A HN 0.335 nan 8.150 nan 0.000 0.445 250 L N 0.712 121.944 121.223 0.016 0.000 2.005 250 L HA -0.115 4.225 4.340 0.000 0.000 0.207 250 L C 2.728 179.601 176.870 0.006 0.000 1.072 250 L CA 2.808 57.655 54.840 0.012 0.000 0.744 250 L CB -0.707 41.359 42.059 0.011 0.000 0.895 250 L HN 0.448 nan 8.230 nan 0.000 0.433 251 S N -0.872 114.833 115.700 0.008 0.000 2.419 251 S HA -0.204 4.266 4.470 0.000 0.000 0.233 251 S C 2.098 176.702 174.600 0.006 0.000 1.016 251 S CA 1.451 59.655 58.200 0.006 0.000 0.974 251 S CB -0.936 62.268 63.200 0.008 0.000 0.786 251 S HN 0.477 nan 8.310 nan 0.000 0.492 252 L N 0.787 122.018 121.223 0.013 0.000 2.056 252 L HA -0.050 4.290 4.340 0.000 0.000 0.207 252 L C 2.618 179.486 176.870 -0.004 0.000 1.078 252 L CA 1.027 55.877 54.840 0.018 0.000 0.749 252 L CB -0.411 41.670 42.059 0.038 0.000 0.901 252 L HN 0.251 nan 8.230 nan 0.000 0.433 253 V N -0.082 119.823 119.914 -0.015 0.000 2.358 253 V HA -0.283 3.837 4.120 0.000 0.000 0.246 253 V C 2.318 178.368 176.094 -0.073 0.000 1.047 253 V CA 1.816 64.084 62.300 -0.054 0.000 1.035 253 V CB -0.334 31.467 31.823 -0.036 0.000 0.658 253 V HN 0.485 nan 8.190 nan 0.000 0.452 254 E N 0.123 120.301 120.200 -0.036 0.000 2.077 254 E HA -0.217 4.134 4.350 0.000 0.000 0.193 254 E C 2.304 178.890 176.600 -0.023 0.000 0.989 254 E CA 1.370 57.754 56.400 -0.028 0.000 0.800 254 E CB -0.342 29.352 29.700 -0.010 0.000 0.746 254 E HN 0.618 nan 8.360 nan 0.000 0.452 255 A N 1.906 124.716 122.820 -0.016 0.000 1.845 255 A HA -0.218 4.102 4.320 0.000 0.000 0.215 255 A C 2.207 179.785 177.584 -0.009 0.000 1.195 255 A CA 1.612 53.644 52.037 -0.008 0.000 0.616 255 A CB -0.674 18.326 19.000 0.000 0.000 0.832 255 A HN 0.278 nan 8.150 nan 0.000 0.443 256 M N 0.290 119.879 119.600 -0.019 0.000 2.103 256 M HA -0.194 4.286 4.480 0.000 0.000 0.255 256 M C 1.712 178.016 176.300 0.007 0.000 1.074 256 M CA 2.615 57.907 55.300 -0.014 0.000 1.090 256 M CB -0.377 32.181 32.600 -0.071 0.000 1.325 256 M HN 0.211 nan 8.290 nan 0.000 0.403 257 V N 0.105 119.966 119.914 -0.088 0.000 3.141 257 V HA -0.147 3.973 4.120 0.000 0.000 0.265 257 V C 1.560 177.811 176.094 0.261 0.000 1.126 257 V CA 1.522 63.827 62.300 0.008 0.000 1.141 257 V CB -0.976 30.750 31.823 -0.161 0.000 0.743 257 V HN 0.534 nan 8.190 nan 0.000 0.492 258 E N 0.266 120.515 120.200 0.083 0.000 2.452 258 E HA 0.448 4.798 4.350 0.000 0.000 0.197 258 E C 1.046 177.567 176.600 -0.133 0.000 1.022 258 E CA 0.502 56.911 56.400 0.015 0.000 0.890 258 E CB 0.336 30.036 29.700 0.001 0.000 0.918 258 E HN 0.475 nan 8.360 nan 0.000 0.496 259 A N 2.293 125.037 122.820 -0.127 0.000 2.917 259 A HA -0.174 4.146 4.320 0.000 0.000 0.286 259 A C 0.873 178.401 177.584 -0.094 0.000 1.435 259 A CA 0.673 52.605 52.037 -0.175 0.000 0.737 259 A CB -2.348 16.399 19.000 -0.422 0.000 1.049 259 A HN 0.326 nan 8.150 nan 0.000 0.483 260 N N 0.202 118.875 118.700 -0.044 0.000 2.373 260 N HA 0.106 4.846 4.740 0.000 0.000 0.181 260 N C 1.913 177.412 175.510 -0.018 0.000 1.082 260 N CA 1.837 54.869 53.050 -0.029 0.000 0.885 260 N CB -0.414 38.063 38.487 -0.017 0.000 0.977 260 N HN 1.543 nan 8.380 nan 0.000 0.462 261 G N 2.033 110.826 108.800 -0.012 0.000 3.567 261 G HA2 -0.526 3.434 3.960 0.000 0.000 0.379 261 G HA3 -0.526 3.434 3.960 0.000 0.000 0.379 261 G C 1.115 176.014 174.900 -0.002 0.000 2.015 261 G CA 1.771 46.869 45.100 -0.005 0.000 2.228 261 G HN 0.561 nan 8.290 nan 0.000 0.903 262 E N 0.567 120.764 120.200 -0.006 0.000 2.136 262 E HA -0.264 4.086 4.350 0.000 0.000 0.208 262 E C 2.441 179.043 176.600 0.004 0.000 1.035 262 E CA 2.562 58.960 56.400 -0.002 0.000 0.838 262 E CB -0.435 29.261 29.700 -0.006 0.000 0.748 262 E HN 0.701 nan 8.360 nan 0.000 0.459 263 R N -0.616 119.886 120.500 0.004 0.000 2.119 263 R HA -0.000 4.340 4.340 0.000 0.000 0.222 263 R C 2.203 178.513 176.300 0.017 0.000 1.088 263 R CA 1.014 57.120 56.100 0.009 0.000 0.984 263 R CB 0.036 30.339 30.300 0.005 0.000 0.884 263 R HN 0.187 nan 8.270 nan 0.000 0.447 264 V N 1.040 120.963 119.914 0.015 0.000 2.270 264 V HA -0.258 3.862 4.120 0.000 0.000 0.245 264 V C 2.343 178.456 176.094 0.031 0.000 1.043 264 V CA 1.484 63.799 62.300 0.025 0.000 1.014 264 V CB -0.337 31.500 31.823 0.023 0.000 0.645 264 V HN 0.314 nan 8.190 nan 0.000 0.447 265 M N 0.073 119.685 119.600 0.021 0.000 2.213 265 M HA -0.070 4.410 4.480 0.000 0.000 0.263 265 M C 2.270 178.589 176.300 0.032 0.000 1.062 265 M CA 1.815 57.127 55.300 0.020 0.000 1.105 265 M CB -1.769 30.835 32.600 0.007 0.000 1.385 265 M HN 0.401 nan 8.290 nan 0.000 0.417 266 A N 0.402 123.240 122.820 0.029 0.000 1.841 266 A HA -0.110 4.210 4.320 0.000 0.000 0.214 266 A C 2.340 179.954 177.584 0.049 0.000 1.195 266 A CA 1.313 53.370 52.037 0.033 0.000 0.611 266 A CB -0.999 18.015 19.000 0.023 0.000 0.835 266 A HN 0.439 nan 8.150 nan 0.000 0.443 267 L N -0.362 120.891 121.223 0.050 0.000 2.043 267 L HA -0.239 4.101 4.340 0.000 0.000 0.212 267 L C 2.481 179.415 176.870 0.106 0.000 1.075 267 L CA 1.446 56.324 54.840 0.062 0.000 0.752 267 L CB -0.548 41.543 42.059 0.053 0.000 0.891 267 L HN 0.412 nan 8.230 nan 0.000 0.432 268 I N -0.288 120.360 120.570 0.130 0.000 2.264 268 I HA -0.308 3.862 4.170 0.000 0.000 0.248 268 I C 2.359 178.645 176.117 0.281 0.000 1.111 268 I CA 1.185 62.622 61.300 0.229 0.000 1.382 268 I CB -0.394 37.681 38.000 0.125 0.000 1.060 268 I HN 0.383 nan 8.210 nan 0.000 0.418 269 N N 1.049 119.844 118.700 0.159 0.000 2.135 269 N HA -0.221 4.519 4.740 0.000 0.000 0.186 269 N C 1.797 177.379 175.510 0.120 0.000 1.027 269 N CA 1.559 54.691 53.050 0.137 0.000 0.849 269 N CB -0.101 38.432 38.487 0.077 0.000 1.002 269 N HN 0.327 nan 8.380 nan 0.000 0.425 270 E N -0.216 120.034 120.200 0.083 0.000 2.077 270 E HA -0.151 4.199 4.350 0.000 0.000 0.193 270 E C 1.770 178.394 176.600 0.040 0.000 0.989 270 E CA 1.099 57.529 56.400 0.051 0.000 0.800 270 E CB -0.194 29.526 29.700 0.035 0.000 0.746 270 E HN 0.424 nan 8.360 nan 0.000 0.452 271 A N 1.407 124.262 122.820 0.058 0.000 1.873 271 A HA -0.217 4.103 4.320 0.000 0.000 0.218 271 A C 2.457 179.992 177.584 -0.082 0.000 1.193 271 A CA 2.262 54.289 52.037 -0.016 0.000 0.629 271 A CB -1.072 17.947 19.000 0.031 0.000 0.826 271 A HN 0.433 nan 8.150 nan 0.000 0.447 272 A N -0.289 122.595 122.820 0.106 0.000 1.948 272 A HA 0.084 4.404 4.320 0.000 0.000 0.220 272 A C 2.476 180.094 177.584 0.057 0.000 1.177 272 A CA 2.326 54.468 52.037 0.175 0.000 0.636 272 A CB -1.054 18.228 19.000 0.471 0.000 0.815 272 A HN 1.246 nan 8.150 nan 0.000 0.449 273 A N -0.364 122.486 122.820 0.051 0.000 2.070 273 A HA -0.124 4.196 4.320 0.000 0.000 0.220 273 A C 1.999 179.576 177.584 -0.012 0.000 1.159 273 A CA 1.340 53.392 52.037 0.025 0.000 0.656 273 A CB -0.348 18.668 19.000 0.027 0.000 0.800 273 A HN 0.577 nan 8.150 nan 0.000 0.453 274 R N -0.882 119.590 120.500 -0.047 0.000 2.426 274 R HA 0.286 4.626 4.340 0.000 0.000 0.263 274 R C 0.857 177.094 176.300 -0.105 0.000 0.961 274 R CA 0.332 56.392 56.100 -0.067 0.000 1.086 274 R CB -0.149 30.108 30.300 -0.071 0.000 1.186 274 R HN 0.510 nan 8.270 nan 0.000 0.537 275 G N 2.393 111.122 108.800 -0.118 0.000 2.371 275 G HA2 -0.272 3.688 3.960 0.000 0.000 0.299 275 G HA3 -0.272 3.688 3.960 0.000 0.000 0.299 275 G C 0.175 174.921 174.900 -0.256 0.000 1.014 275 G CA 0.005 45.013 45.100 -0.154 0.000 1.097 275 G HN 0.301 nan 8.290 nan 0.000 0.512 276 I N -0.273 120.029 120.570 -0.447 0.000 2.823 276 I HA 0.209 4.379 4.170 0.000 0.000 0.290 276 I C 0.437 176.194 176.117 -0.598 0.000 1.091 276 I CA -0.557 60.437 61.300 -0.509 0.000 1.365 276 I CB 0.683 38.274 38.000 -0.682 0.000 1.427 276 I HN 0.116 nan 8.210 nan 0.000 0.583 277 E N 4.195 124.177 120.200 -0.365 0.000 1.963 277 E HA 0.029 4.379 4.350 0.000 0.000 0.274 277 E C 0.117 176.611 176.600 -0.177 0.000 1.061 277 E CA -0.170 56.096 56.400 -0.225 0.000 0.847 277 E CB 0.222 29.863 29.700 -0.098 0.000 1.083 277 E HN 0.572 nan 8.360 nan 0.000 0.402 278 W N 2.081 123.385 121.300 0.006 0.000 2.313 278 W HA -0.247 4.413 4.660 0.000 0.000 0.293 278 W C 2.089 178.611 176.519 0.005 0.000 1.216 278 W CA 1.268 58.617 57.345 0.007 0.000 1.223 278 W CB -0.012 29.454 29.460 0.009 0.000 1.138 278 W HN 0.565 nan 8.180 nan 0.000 0.535 279 E N 0.308 120.631 120.200 0.204 0.000 2.107 279 E HA -0.147 4.203 4.350 0.000 0.000 0.191 279 E C 2.309 178.953 176.600 0.073 0.000 0.982 279 E CA 1.159 57.633 56.400 0.123 0.000 0.809 279 E CB -0.266 29.487 29.700 0.087 0.000 0.756 279 E HN 0.159 nan 8.360 nan 0.000 0.459 280 A N 1.001 123.845 122.820 0.041 0.000 1.972 280 A HA -0.160 4.160 4.320 0.000 0.000 0.219 280 A C 2.104 179.699 177.584 0.017 0.000 1.169 280 A CA 1.233 53.277 52.037 0.011 0.000 0.635 280 A CB -0.566 18.421 19.000 -0.022 0.000 0.810 280 A HN 0.400 nan 8.150 nan 0.000 0.446 281 L N -0.434 120.809 121.223 0.033 0.000 2.056 281 L HA -0.035 4.305 4.340 0.000 0.000 0.207 281 L C 2.170 179.081 176.870 0.070 0.000 1.078 281 L CA 1.593 56.463 54.840 0.050 0.000 0.749 281 L CB -0.462 41.655 42.059 0.097 0.000 0.901 281 L HN 0.372 nan 8.230 nan 0.000 0.433 282 L N -1.532 119.743 121.223 0.087 0.000 2.141 282 L HA -0.161 4.179 4.340 0.000 0.000 0.209 282 L C 2.420 179.303 176.870 0.023 0.000 1.094 282 L CA 0.791 55.666 54.840 0.058 0.000 0.763 282 L CB -0.445 41.649 42.059 0.058 0.000 0.908 282 L HN 0.138 nan 8.230 nan 0.000 0.437 283 V N -0.410 119.518 119.914 0.023 0.000 2.427 283 V HA -0.217 3.903 4.120 0.000 0.000 0.248 283 V C 2.490 178.595 176.094 0.020 0.000 1.051 283 V CA 1.461 63.767 62.300 0.010 0.000 1.048 283 V CB -0.394 31.435 31.823 0.011 0.000 0.666 283 V HN 0.428 nan 8.190 nan 0.000 0.456 284 E N -0.379 119.836 120.200 0.026 0.000 2.072 284 E HA -0.174 4.176 4.350 0.000 0.000 0.191 284 E C 2.221 178.848 176.600 0.045 0.000 0.985 284 E CA 1.288 57.707 56.400 0.032 0.000 0.801 284 E CB -0.329 29.385 29.700 0.024 0.000 0.750 284 E HN 0.533 nan 8.360 nan 0.000 0.452 285 M N 0.321 119.946 119.600 0.041 0.000 2.149 285 M HA -0.149 4.331 4.480 0.000 0.000 0.261 285 M C 2.455 178.797 176.300 0.070 0.000 1.064 285 M CA 1.208 56.537 55.300 0.048 0.000 1.102 285 M CB -0.339 32.285 32.600 0.040 0.000 1.369 285 M HN 0.076 nan 8.290 nan 0.000 0.408 286 L N -0.695 120.553 121.223 0.042 0.000 2.056 286 L HA -0.121 4.219 4.340 0.000 0.000 0.207 286 L C 2.670 179.671 176.870 0.218 0.000 1.078 286 L CA 1.335 56.209 54.840 0.056 0.000 0.749 286 L CB -1.128 40.866 42.059 -0.109 0.000 0.901 286 L HN 0.391 nan 8.230 nan 0.000 0.433 287 G N -0.168 108.715 108.800 0.138 0.000 2.422 287 G HA2 -0.185 3.775 3.960 0.000 0.000 0.218 287 G HA3 -0.185 3.775 3.960 0.000 0.000 0.218 287 G C 1.623 176.639 174.900 0.194 0.000 1.146 287 G CA 0.407 45.596 45.100 0.148 0.000 0.769 287 G HN 0.205 nan 8.290 nan 0.000 0.547 288 L N -0.247 121.061 121.223 0.143 0.000 2.027 288 L HA 0.069 4.409 4.340 0.000 0.000 0.206 288 L C 2.848 179.803 176.870 0.141 0.000 1.074 288 L CA 0.464 55.376 54.840 0.119 0.000 0.745 288 L CB -0.403 41.701 42.059 0.075 0.000 0.898 288 L HN 0.157 nan 8.230 nan 0.000 0.433 289 L N -0.638 120.694 121.223 0.181 0.000 2.187 289 L HA -0.273 4.068 4.340 0.000 0.000 0.213 289 L C 2.606 179.594 176.870 0.198 0.000 1.100 289 L CA 1.238 56.202 54.840 0.206 0.000 0.765 289 L CB -0.443 41.796 42.059 0.300 0.000 0.904 289 L HN 0.417 nan 8.230 nan 0.000 0.437 290 H N -0.277 118.878 119.070 0.141 0.000 2.284 290 H HA -0.085 4.471 4.556 0.000 0.000 0.304 290 H C 2.449 177.789 175.328 0.019 0.000 1.069 290 H CA 1.368 57.442 56.048 0.043 0.000 1.327 290 H CB 0.084 29.892 29.762 0.077 0.000 1.387 290 H HN 0.003 nan 8.280 nan 0.000 0.498 291 R N 0.296 120.803 120.500 0.012 0.000 2.103 291 R HA -0.146 4.194 4.340 0.000 0.000 0.242 291 R C 2.480 178.718 176.300 -0.104 0.000 1.142 291 R CA 1.819 57.880 56.100 -0.066 0.000 0.960 291 R CB -0.425 29.923 30.300 0.080 0.000 0.858 291 R HN 0.459 nan 8.270 nan 0.000 0.439 292 I N 0.542 121.090 120.570 -0.037 0.000 2.118 292 I HA -0.312 3.858 4.170 0.000 0.000 0.241 292 I C 2.612 178.690 176.117 -0.066 0.000 1.070 292 I CA 1.605 62.888 61.300 -0.029 0.000 1.327 292 I CB -0.668 37.338 38.000 0.009 0.000 1.034 292 I HN 0.207 nan 8.210 nan 0.000 0.405 293 A N 0.454 123.215 122.820 -0.099 0.000 2.019 293 A HA -0.194 4.126 4.320 0.000 0.000 0.219 293 A C 2.328 179.821 177.584 -0.153 0.000 1.164 293 A CA 1.430 53.397 52.037 -0.117 0.000 0.644 293 A CB -0.394 18.521 19.000 -0.140 0.000 0.805 293 A HN 0.332 nan 8.150 nan 0.000 0.449 294 M N -0.624 118.839 119.600 -0.228 0.000 2.200 294 M HA -0.065 4.415 4.480 0.000 0.000 0.265 294 M C 2.133 178.373 176.300 -0.100 0.000 1.066 294 M CA 1.155 56.340 55.300 -0.191 0.000 1.127 294 M CB -1.088 31.367 32.600 -0.240 0.000 1.379 294 M HN 0.251 nan 8.290 nan 0.000 0.420 295 V N 0.418 120.283 119.914 -0.081 0.000 2.515 295 V HA -0.238 3.882 4.120 0.000 0.000 0.250 295 V C 2.221 178.293 176.094 -0.036 0.000 1.058 295 V CA 1.407 63.681 62.300 -0.044 0.000 1.064 295 V CB -0.898 30.908 31.823 -0.028 0.000 0.675 295 V HN 0.533 nan 8.190 nan 0.000 0.461 296 Q N -0.883 118.891 119.800 -0.043 0.000 2.297 296 Q HA -0.091 4.249 4.340 0.000 0.000 0.204 296 Q C 2.074 178.055 176.000 -0.033 0.000 0.962 296 Q CA 0.980 56.764 55.803 -0.031 0.000 0.879 296 Q CB -0.023 28.698 28.738 -0.030 0.000 0.947 296 Q HN 0.504 nan 8.270 nan 0.000 0.462 297 L N -0.439 120.758 121.223 -0.044 0.000 2.253 297 L HA 0.081 4.421 4.340 0.000 0.000 0.205 297 L C 0.076 176.929 176.870 -0.029 0.000 1.078 297 L CA 0.919 55.737 54.840 -0.038 0.000 0.805 297 L CB 0.712 42.742 42.059 -0.049 0.000 0.963 297 L HN -0.063 nan 8.230 nan 0.000 0.459 298 S N -0.680 115.003 115.700 -0.029 0.000 2.673 298 S HA 0.397 4.867 4.470 0.000 0.000 0.256 298 S C -2.028 172.562 174.600 -0.018 0.000 1.141 298 S CA -0.901 57.288 58.200 -0.019 0.000 1.109 298 S CB 1.078 64.267 63.200 -0.017 0.000 1.101 298 S HN 0.088 nan 8.310 nan 0.000 0.471 299 P HA -0.113 nan 4.420 nan 0.000 0.231 299 P C 0.976 178.273 177.300 -0.005 0.000 1.154 299 P CA 1.014 64.108 63.100 -0.009 0.000 0.762 299 P CB -0.082 31.615 31.700 -0.006 0.000 0.790 300 A N -0.380 122.438 122.820 -0.004 0.000 2.275 300 A HA 0.423 4.743 4.320 0.000 0.000 0.212 300 A C 2.284 179.871 177.584 0.004 0.000 1.201 300 A CA 0.623 52.662 52.037 0.002 0.000 0.843 300 A CB -0.690 18.312 19.000 0.004 0.000 0.873 300 A HN 0.205 nan 8.150 nan 0.000 0.492 301 A N -0.136 122.683 122.820 -0.002 0.000 2.076 301 A HA 0.066 4.386 4.320 0.000 0.000 0.220 301 A C 1.057 178.648 177.584 0.011 0.000 1.160 301 A CA 0.443 52.480 52.037 -0.000 0.000 0.653 301 A CB -0.489 18.497 19.000 -0.024 0.000 0.801 301 A HN 0.451 nan 8.150 nan 0.000 0.455 302 L N 0.581 121.810 121.223 0.009 0.000 2.500 302 L HA 0.197 4.538 4.340 0.000 0.000 0.272 302 L C 1.447 178.330 176.870 0.023 0.000 1.149 302 L CA -0.316 54.534 54.840 0.017 0.000 0.897 302 L CB 0.547 42.614 42.059 0.013 0.000 1.178 302 L HN 0.403 nan 8.230 nan 0.000 0.473 303 G N 3.480 112.299 108.800 0.031 0.000 2.803 303 G HA2 -0.014 3.946 3.960 0.000 0.000 0.177 303 G HA3 -0.014 3.946 3.960 0.000 0.000 0.177 303 G C 0.840 175.757 174.900 0.030 0.000 1.629 303 G CA -0.162 44.959 45.100 0.034 0.000 1.077 303 G HN 0.645 nan 8.290 nan 0.000 0.556 304 N N 0.329 119.049 118.700 0.033 0.000 2.143 304 N HA -0.072 4.668 4.740 0.000 0.000 0.190 304 N C 1.455 176.979 175.510 0.023 0.000 1.058 304 N CA 1.123 54.191 53.050 0.030 0.000 0.860 304 N CB -0.467 38.042 38.487 0.037 0.000 1.044 304 N HN 0.309 nan 8.380 nan 0.000 0.445 305 D N 0.453 120.867 120.400 0.025 0.000 2.349 305 D HA 0.069 4.709 4.640 0.000 0.000 0.224 305 D C 1.368 177.678 176.300 0.017 0.000 1.029 305 D CA 0.001 54.011 54.000 0.017 0.000 0.879 305 D CB -0.097 40.713 40.800 0.016 0.000 0.906 305 D HN 0.119 nan 8.370 nan 0.000 0.528 306 M N -0.458 119.155 119.600 0.022 0.000 2.722 306 M HA 0.078 4.559 4.480 0.000 0.000 0.238 306 M C 1.506 177.816 176.300 0.017 0.000 1.098 306 M CA 0.204 55.517 55.300 0.022 0.000 1.062 306 M CB 0.221 32.839 32.600 0.029 0.000 1.573 306 M HN 0.017 nan 8.290 nan 0.000 0.531 307 A N -0.206 122.622 122.820 0.014 0.000 2.067 307 A HA 0.024 4.344 4.320 0.000 0.000 0.219 307 A C 2.238 179.826 177.584 0.008 0.000 1.158 307 A CA 1.445 53.488 52.037 0.010 0.000 0.661 307 A CB -0.757 18.248 19.000 0.008 0.000 0.801 307 A HN 0.615 nan 8.150 nan 0.000 0.452 308 A N -0.115 122.709 122.820 0.008 0.000 1.972 308 A HA -0.014 4.306 4.320 0.000 0.000 0.219 308 A C 1.973 179.562 177.584 0.007 0.000 1.169 308 A CA 1.546 53.587 52.037 0.006 0.000 0.635 308 A CB -0.440 18.563 19.000 0.005 0.000 0.810 308 A HN 0.520 nan 8.150 nan 0.000 0.446 309 I N -2.018 118.558 120.570 0.010 0.000 2.867 309 I HA -0.038 4.132 4.170 0.000 0.000 0.265 309 I C 1.937 178.060 176.117 0.009 0.000 1.162 309 I CA 0.713 62.019 61.300 0.010 0.000 1.471 309 I CB -0.231 37.777 38.000 0.014 0.000 1.123 309 I HN 0.325 nan 8.210 nan 0.000 0.440 310 E N 1.216 121.422 120.200 0.010 0.000 2.722 310 E HA -0.360 3.990 4.350 0.000 0.000 0.245 310 E C 1.931 178.535 176.600 0.007 0.000 1.004 310 E CA 2.574 58.979 56.400 0.009 0.000 1.405 310 E CB -0.482 29.223 29.700 0.008 0.000 1.325 310 E HN 0.244 nan 8.360 nan 0.000 0.479 311 L N 0.359 121.586 121.223 0.006 0.000 1.990 311 L HA -0.188 4.152 4.340 0.000 0.000 0.213 311 L C 2.468 179.342 176.870 0.006 0.000 1.072 311 L CA 2.221 57.064 54.840 0.006 0.000 0.755 311 L CB -0.576 41.486 42.059 0.005 0.000 0.889 311 L HN 0.165 nan 8.230 nan 0.000 0.432 312 R N -1.955 118.549 120.500 0.007 0.000 2.073 312 R HA -0.160 4.180 4.340 0.000 0.000 0.234 312 R C 2.149 178.453 176.300 0.007 0.000 1.134 312 R CA 1.394 57.498 56.100 0.007 0.000 0.952 312 R CB -0.374 29.930 30.300 0.006 0.000 0.850 312 R HN 0.288 nan 8.270 nan 0.000 0.433 313 M N 0.418 120.023 119.600 0.009 0.000 2.080 313 M HA -0.156 4.324 4.480 0.000 0.000 0.260 313 M C 2.116 178.421 176.300 0.007 0.000 1.068 313 M CA 1.717 57.023 55.300 0.010 0.000 1.109 313 M CB -0.804 31.804 32.600 0.013 0.000 1.342 313 M HN 0.098 nan 8.290 nan 0.000 0.405 314 R N -0.424 120.080 120.500 0.006 0.000 2.115 314 R HA -0.114 4.226 4.340 0.000 0.000 0.230 314 R C 2.055 178.359 176.300 0.006 0.000 1.111 314 R CA 0.754 56.856 56.100 0.005 0.000 0.976 314 R CB -0.185 30.117 30.300 0.004 0.000 0.870 314 R HN 0.380 nan 8.270 nan 0.000 0.445 315 E N 0.944 121.149 120.200 0.007 0.000 2.110 315 E HA -0.164 4.186 4.350 0.000 0.000 0.193 315 E C 2.064 178.671 176.600 0.011 0.000 0.988 315 E CA 1.045 57.450 56.400 0.009 0.000 0.804 315 E CB -0.062 29.643 29.700 0.009 0.000 0.745 315 E HN 0.356 nan 8.360 nan 0.000 0.458 316 L N 0.137 121.366 121.223 0.010 0.000 2.056 316 L HA -0.125 4.215 4.340 0.000 0.000 0.207 316 L C 2.576 179.455 176.870 0.015 0.000 1.078 316 L CA 0.992 55.840 54.840 0.012 0.000 0.749 316 L CB -0.549 41.514 42.059 0.006 0.000 0.901 316 L HN 0.047 nan 8.230 nan 0.000 0.433 317 A N 1.377 124.202 122.820 0.010 0.000 1.892 317 A HA -0.251 4.069 4.320 0.000 0.000 0.218 317 A C 2.333 179.922 177.584 0.008 0.000 1.188 317 A CA 2.196 54.236 52.037 0.006 0.000 0.631 317 A CB -0.607 18.392 19.000 -0.002 0.000 0.822 317 A HN 0.576 nan 8.150 nan 0.000 0.447 318 R N -0.602 119.903 120.500 0.009 0.000 2.240 318 R HA -0.011 4.329 4.340 0.000 0.000 0.203 318 R C 1.646 177.956 176.300 0.016 0.000 1.011 318 R CA 1.683 57.789 56.100 0.010 0.000 1.007 318 R CB -0.772 29.532 30.300 0.008 0.000 0.911 318 R HN 0.509 nan 8.270 nan 0.000 0.468 319 T N -1.788 112.779 114.554 0.021 0.000 3.015 319 T HA 0.307 4.657 4.350 0.000 0.000 0.250 319 T C 0.827 175.551 174.700 0.040 0.000 1.057 319 T CA -0.221 61.897 62.100 0.029 0.000 1.066 319 T CB 0.050 68.936 68.868 0.031 0.000 0.959 319 T HN 0.083 nan 8.240 nan 0.000 0.488 320 I N 2.619 123.214 120.570 0.042 0.000 2.359 320 I HA 0.416 4.586 4.170 0.000 0.000 0.294 320 I C -2.648 173.498 176.117 0.048 0.000 0.987 320 I CA -3.090 58.245 61.300 0.059 0.000 1.225 320 I CB 1.766 39.812 38.000 0.076 0.000 1.366 320 I HN -0.122 nan 8.210 nan 0.000 0.466 321 P HA 0.030 nan 4.420 nan 0.000 0.264 321 P C -1.935 175.377 177.300 0.019 0.000 1.193 321 P CA -0.898 62.214 63.100 0.020 0.000 0.763 321 P CB 0.131 31.834 31.700 0.006 0.000 0.810 322 P HA -0.189 nan 4.420 nan 0.000 0.216 322 P C 1.092 178.385 177.300 -0.011 0.000 1.150 322 P CA 1.848 64.947 63.100 -0.001 0.000 0.837 322 P CB -0.451 31.239 31.700 -0.015 0.000 0.786 323 T N 0.170 114.710 114.554 -0.022 0.000 2.699 323 T HA -0.167 4.183 4.350 0.000 0.000 0.268 323 T C 1.408 176.071 174.700 -0.061 0.000 1.036 323 T CA 1.931 64.008 62.100 -0.038 0.000 1.147 323 T CB -0.864 67.981 68.868 -0.038 0.000 0.862 323 T HN 0.154 nan 8.240 nan 0.000 0.446 324 D N 0.672 121.034 120.400 -0.063 0.000 2.123 324 D HA 0.094 4.734 4.640 0.000 0.000 0.200 324 D C 2.093 178.349 176.300 -0.072 0.000 0.976 324 D CA 0.462 54.378 54.000 -0.141 0.000 0.831 324 D CB -0.378 40.365 40.800 -0.095 0.000 0.974 324 D HN 0.330 nan 8.370 nan 0.000 0.469 325 I N 0.992 121.613 120.570 0.084 0.000 2.423 325 I HA -0.268 3.902 4.170 0.000 0.000 0.254 325 I C 2.269 178.475 176.117 0.148 0.000 1.151 325 I CA 0.906 62.322 61.300 0.193 0.000 1.421 325 I CB 0.038 38.110 38.000 0.121 0.000 1.079 325 I HN -0.011 nan 8.210 nan 0.000 0.431 326 Q N -0.005 119.820 119.800 0.043 0.000 2.049 326 Q HA -0.173 4.167 4.340 0.000 0.000 0.198 326 Q C 2.263 178.298 176.000 0.059 0.000 0.971 326 Q CA 1.290 57.113 55.803 0.034 0.000 0.833 326 Q CB -0.693 28.031 28.738 -0.023 0.000 0.896 326 Q HN 0.435 nan 8.270 nan 0.000 0.434 327 L N 0.156 121.342 121.223 -0.063 0.000 1.997 327 L HA -0.252 4.088 4.340 0.000 0.000 0.216 327 L C 2.159 178.957 176.870 -0.121 0.000 1.074 327 L CA 1.841 56.588 54.840 -0.155 0.000 0.763 327 L CB -0.761 41.108 42.059 -0.316 0.000 0.890 327 L HN 0.099 nan 8.230 nan 0.000 0.434 328 Y N -1.540 118.794 120.300 0.057 0.000 2.181 328 Y HA -0.286 4.264 4.550 0.000 0.000 0.288 328 Y C 2.503 178.458 175.900 0.092 0.000 1.146 328 Y CA 2.058 60.197 58.100 0.066 0.000 1.164 328 Y CB -1.210 37.288 38.460 0.063 0.000 0.982 328 Y HN 0.354 nan 8.280 nan 0.000 0.515 329 Y N 0.696 121.090 120.300 0.157 0.000 2.128 329 Y HA -0.338 4.212 4.550 0.000 0.000 0.284 329 Y C 2.677 178.614 175.900 0.062 0.000 1.154 329 Y CA 2.198 60.361 58.100 0.104 0.000 1.149 329 Y CB -0.506 38.006 38.460 0.087 0.000 0.976 329 Y HN 0.170 nan 8.280 nan 0.000 0.505 330 Q N -0.628 119.316 119.800 0.241 0.000 2.002 330 Q HA -0.212 4.128 4.340 0.000 0.000 0.204 330 Q C 2.167 178.165 176.000 -0.003 0.000 0.988 330 Q CA 2.706 58.579 55.803 0.116 0.000 0.843 330 Q CB -0.310 28.476 28.738 0.081 0.000 0.908 330 Q HN 0.461 nan 8.270 nan 0.000 0.420 331 T N 1.276 115.831 114.554 0.002 0.000 2.759 331 T HA -0.144 4.206 4.350 0.000 0.000 0.269 331 T C 1.689 176.385 174.700 -0.008 0.000 1.042 331 T CA 1.150 63.245 62.100 -0.009 0.000 1.140 331 T CB -0.127 68.757 68.868 0.026 0.000 0.864 331 T HN 0.236 nan 8.240 nan 0.000 0.455 332 L N 0.275 121.487 121.223 -0.018 0.000 2.095 332 L HA 0.032 4.372 4.340 0.000 0.000 0.204 332 L C 2.544 179.350 176.870 -0.107 0.000 1.080 332 L CA 0.519 55.331 54.840 -0.048 0.000 0.759 332 L CB -0.626 41.401 42.059 -0.054 0.000 0.914 332 L HN 0.243 nan 8.230 nan 0.000 0.439 333 L N 0.869 121.972 121.223 -0.199 0.000 1.971 333 L HA -0.270 4.070 4.340 0.000 0.000 0.215 333 L C 2.570 179.389 176.870 -0.084 0.000 1.072 333 L CA 2.121 56.843 54.840 -0.195 0.000 0.758 333 L CB -0.719 41.205 42.059 -0.225 0.000 0.889 333 L HN 0.186 nan 8.230 nan 0.000 0.433 334 I N -0.051 120.481 120.570 -0.063 0.000 2.113 334 I HA -0.326 3.844 4.170 0.000 0.000 0.242 334 I C 2.599 178.695 176.117 -0.035 0.000 1.064 334 I CA 1.582 62.855 61.300 -0.044 0.000 1.320 334 I CB -1.119 36.850 38.000 -0.052 0.000 1.028 334 I HN 0.411 nan 8.210 nan 0.000 0.406 335 G N 0.427 109.207 108.800 -0.033 0.000 2.503 335 G HA2 -0.325 3.635 3.960 0.000 0.000 0.221 335 G HA3 -0.325 3.635 3.960 0.000 0.000 0.221 335 G C 1.784 176.683 174.900 -0.000 0.000 1.131 335 G CA 0.998 46.088 45.100 -0.017 0.000 0.756 335 G HN 0.351 nan 8.290 nan 0.000 0.572 336 R N 1.123 121.619 120.500 -0.006 0.000 2.092 336 R HA -0.080 4.260 4.340 0.000 0.000 0.231 336 R C 2.594 178.917 176.300 0.038 0.000 1.119 336 R CA 1.791 57.899 56.100 0.014 0.000 0.970 336 R CB -0.218 30.078 30.300 -0.006 0.000 0.864 336 R HN 0.528 nan 8.270 nan 0.000 0.440 337 K N 0.409 120.831 120.400 0.036 0.000 2.025 337 K HA -0.111 4.209 4.320 0.000 0.000 0.207 337 K C 1.412 178.109 176.600 0.162 0.000 1.049 337 K CA 1.821 58.156 56.287 0.080 0.000 0.933 337 K CB -0.154 32.385 32.500 0.064 0.000 0.714 337 K HN 0.181 nan 8.250 nan 0.000 0.438 338 E N 0.620 120.881 120.200 0.101 0.000 2.478 338 E HA -0.098 4.252 4.350 0.000 0.000 0.198 338 E C 1.809 178.520 176.600 0.185 0.000 1.046 338 E CA 0.234 56.709 56.400 0.126 0.000 0.870 338 E CB -0.085 29.539 29.700 -0.126 0.000 0.818 338 E HN 0.209 nan 8.360 nan 0.000 0.527 339 L N 2.055 123.346 121.223 0.114 0.000 2.051 339 L HA -0.173 4.167 4.340 0.000 0.000 0.214 339 L C -0.688 176.236 176.870 0.091 0.000 1.076 339 L CA 2.051 56.940 54.840 0.080 0.000 0.758 339 L CB -0.781 41.317 42.059 0.066 0.000 0.890 339 L HN 0.127 nan 8.230 nan 0.000 0.433 340 P HA -0.098 nan 4.420 nan 0.000 0.255 340 P C 1.034 178.366 177.300 0.053 0.000 1.248 340 P CA 0.911 64.043 63.100 0.053 0.000 0.807 340 P CB 0.001 31.707 31.700 0.011 0.000 1.150 341 Y N 1.197 121.495 120.300 -0.003 0.000 2.337 341 Y HA 0.170 4.720 4.550 0.000 0.000 0.293 341 Y C 1.754 177.648 175.900 -0.011 0.000 1.123 341 Y CA 0.293 58.389 58.100 -0.005 0.000 1.201 341 Y CB -0.484 37.972 38.460 -0.006 0.000 1.011 341 Y HN -0.097 nan 8.280 nan 0.000 0.545 342 A N 1.776 124.688 122.820 0.152 0.000 2.477 342 A HA 0.067 4.387 4.320 0.000 0.000 0.246 342 A C -1.090 176.514 177.584 0.033 0.000 1.078 342 A CA -0.946 51.127 52.037 0.060 0.000 0.770 342 A CB -0.298 18.709 19.000 0.011 0.000 1.011 342 A HN 0.217 nan 8.150 nan 0.000 0.494 343 P HA -0.120 nan 4.420 nan 0.000 0.218 343 P C 0.010 177.308 177.300 -0.004 0.000 1.146 343 P CA 1.523 64.627 63.100 0.007 0.000 0.813 343 P CB 0.173 31.873 31.700 -0.001 0.000 0.778 344 D N -1.879 118.507 120.400 -0.023 0.000 2.927 344 D HA 0.141 4.781 4.640 0.000 0.000 0.219 344 D C 0.846 177.095 176.300 -0.084 0.000 1.248 344 D CA -0.678 53.299 54.000 -0.038 0.000 0.861 344 D CB 1.443 42.212 40.800 -0.052 0.000 1.677 344 D HN -0.303 nan 8.370 nan 0.000 0.511 345 R N 1.379 121.841 120.500 -0.064 0.000 2.127 345 R HA -0.124 4.216 4.340 0.000 0.000 0.238 345 R C 2.122 178.145 176.300 -0.463 0.000 1.134 345 R CA 1.256 57.289 56.100 -0.111 0.000 0.975 345 R CB 0.100 30.460 30.300 0.100 0.000 0.865 345 R HN 0.394 nan 8.270 nan 0.000 0.447 346 R N 0.735 120.801 120.500 -0.723 0.000 2.073 346 R HA -0.047 4.293 4.340 0.000 0.000 0.229 346 R C 2.191 178.113 176.300 -0.629 0.000 1.120 346 R CA 1.277 56.649 56.100 -1.213 0.000 0.967 346 R CB -0.175 29.567 30.300 -0.930 0.000 0.862 346 R HN 0.167 nan 8.270 nan 0.000 0.436 347 M N 0.420 119.812 119.600 -0.347 0.000 2.358 347 M HA -0.051 4.429 4.480 0.000 0.000 0.264 347 M C 1.675 177.868 176.300 -0.179 0.000 1.064 347 M CA 1.823 56.997 55.300 -0.210 0.000 1.093 347 M CB -0.134 32.391 32.600 -0.125 0.000 1.401 347 M HN 0.359 nan 8.290 nan 0.000 0.440 348 G N -0.308 108.375 108.800 -0.196 0.000 2.394 348 G HA2 -0.138 3.822 3.960 0.000 0.000 0.214 348 G HA3 -0.138 3.822 3.960 0.000 0.000 0.214 348 G C 1.269 176.091 174.900 -0.129 0.000 1.176 348 G CA 0.791 45.819 45.100 -0.120 0.000 0.786 348 G HN 0.371 nan 8.290 nan 0.000 0.533 349 V N 0.910 120.691 119.914 -0.222 0.000 2.427 349 V HA -0.146 3.974 4.120 0.000 0.000 0.248 349 V C 2.660 178.675 176.094 -0.131 0.000 1.051 349 V CA 2.069 64.271 62.300 -0.164 0.000 1.048 349 V CB -0.404 31.278 31.823 -0.235 0.000 0.666 349 V HN 0.480 nan 8.190 nan 0.000 0.456 350 E N -0.561 119.529 120.200 -0.185 0.000 2.072 350 E HA -0.164 4.186 4.350 0.000 0.000 0.191 350 E C 2.330 178.895 176.600 -0.058 0.000 0.985 350 E CA 1.119 57.453 56.400 -0.110 0.000 0.801 350 E CB -0.193 29.431 29.700 -0.127 0.000 0.750 350 E HN 0.435 nan 8.360 nan 0.000 0.452 351 M N 0.734 120.297 119.600 -0.062 0.000 2.082 351 M HA -0.161 4.319 4.480 0.000 0.000 0.258 351 M C 2.366 178.667 176.300 0.002 0.000 1.069 351 M CA 1.631 56.914 55.300 -0.028 0.000 1.102 351 M CB -1.142 31.437 32.600 -0.033 0.000 1.336 351 M HN 0.142 nan 8.290 nan 0.000 0.404 352 T N 1.537 116.090 114.554 -0.002 0.000 2.668 352 T HA -0.069 4.281 4.350 0.000 0.000 0.262 352 T C 2.025 176.759 174.700 0.058 0.000 1.045 352 T CA 1.146 63.262 62.100 0.027 0.000 1.152 352 T CB -0.516 68.362 68.868 0.016 0.000 0.864 352 T HN 0.315 nan 8.240 nan 0.000 0.419 353 L N 0.623 121.873 121.223 0.045 0.000 2.083 353 L HA -0.024 4.316 4.340 0.000 0.000 0.209 353 L C 2.590 179.507 176.870 0.077 0.000 1.083 353 L CA 1.113 55.994 54.840 0.068 0.000 0.752 353 L CB -0.834 41.254 42.059 0.049 0.000 0.899 353 L HN 0.247 nan 8.230 nan 0.000 0.433 354 L N -0.330 120.922 121.223 0.049 0.000 2.201 354 L HA -0.183 4.157 4.340 0.000 0.000 0.212 354 L C 2.807 179.721 176.870 0.073 0.000 1.105 354 L CA 0.786 55.652 54.840 0.044 0.000 0.775 354 L CB -0.409 41.657 42.059 0.013 0.000 0.913 354 L HN 0.249 nan 8.230 nan 0.000 0.440 355 R N 0.779 121.340 120.500 0.103 0.000 2.075 355 R HA -0.099 4.241 4.340 0.000 0.000 0.232 355 R C 2.166 178.622 176.300 0.261 0.000 1.126 355 R CA 1.650 57.859 56.100 0.182 0.000 0.963 355 R CB -0.475 29.931 30.300 0.178 0.000 0.858 355 R HN 0.284 nan 8.270 nan 0.000 0.435 356 A N -0.361 122.600 122.820 0.235 0.000 2.066 356 A HA 0.011 4.331 4.320 0.000 0.000 0.218 356 A C 1.766 179.570 177.584 0.367 0.000 1.157 356 A CA 0.725 52.955 52.037 0.321 0.000 0.670 356 A CB -0.264 18.973 19.000 0.393 0.000 0.804 356 A HN 0.261 nan 8.150 nan 0.000 0.453 357 L N -0.715 120.660 121.223 0.253 0.000 2.095 357 L HA 0.037 4.377 4.340 0.000 0.000 0.204 357 L C 2.851 179.815 176.870 0.157 0.000 1.080 357 L CA 1.763 56.730 54.840 0.210 0.000 0.759 357 L CB -1.055 41.062 42.059 0.097 0.000 0.914 357 L HN 0.369 nan 8.230 nan 0.000 0.439 358 A N -1.117 121.740 122.820 0.061 0.000 1.840 358 A HA -0.124 4.196 4.320 0.000 0.000 0.214 358 A C 1.446 178.974 177.584 -0.093 0.000 1.198 358 A CA 0.827 52.807 52.037 -0.094 0.000 0.608 358 A CB -1.012 17.825 19.000 -0.272 0.000 0.839 358 A HN 0.274 nan 8.150 nan 0.000 0.443 359 F N 0.540 120.530 119.950 0.068 0.000 2.668 359 F HA 0.145 4.673 4.527 0.000 0.000 0.365 359 F C 0.508 176.317 175.800 0.015 0.000 1.165 359 F CA 0.212 58.227 58.000 0.025 0.000 1.344 359 F CB -0.575 38.416 39.000 -0.014 0.000 1.658 359 F HN 0.331 nan 8.300 nan 0.000 0.620 360 H N 2.261 121.396 119.070 0.110 0.000 2.595 360 H HA 0.275 4.831 4.556 0.000 0.000 0.313 360 H C -2.320 173.048 175.328 0.066 0.000 1.023 360 H CA -2.459 53.649 56.048 0.100 0.000 1.218 360 H CB 1.140 30.983 29.762 0.135 0.000 1.403 360 H HN -0.028 nan 8.280 nan 0.000 0.477 361 P HA 0.053 nan 4.420 nan 0.000 0.270 361 P C -0.618 176.898 177.300 0.360 0.000 1.242 361 P CA 0.055 63.264 63.100 0.182 0.000 0.768 361 P CB 0.565 32.295 31.700 0.052 0.000 0.820 362 R N 0.371 120.993 120.500 0.202 0.000 3.390 362 R HA -0.095 4.245 4.340 0.000 0.000 0.280 362 R C 0.129 176.453 176.300 0.041 0.000 1.126 362 R CA 0.339 56.511 56.100 0.122 0.000 0.757 362 R CB -1.975 28.398 30.300 0.120 0.000 1.296 362 R HN 0.558 nan 8.270 nan 0.000 0.431 363 M N 0.281 119.904 119.600 0.038 0.000 2.812 363 M HA 0.484 4.964 4.480 0.000 0.000 0.285 363 M C -1.935 174.341 176.300 -0.040 0.000 1.216 363 M CA -2.157 53.104 55.300 -0.065 0.000 0.749 363 M CB 1.540 34.136 32.600 -0.007 0.000 1.756 363 M HN -0.158 nan 8.290 nan 0.000 0.439 364 P HA -0.096 nan 4.420 nan 0.000 0.261 364 P C -1.661 175.603 177.300 -0.060 0.000 1.140 364 P CA 0.991 64.057 63.100 -0.056 0.000 0.757 364 P CB -0.030 31.634 31.700 -0.060 0.000 0.735 365 L N 4.699 125.892 121.223 -0.051 0.000 2.303 365 L HA 0.614 4.954 4.340 0.000 0.000 0.266 365 L C -1.461 175.381 176.870 -0.047 0.000 1.011 365 L CA -2.078 52.733 54.840 -0.048 0.000 0.818 365 L CB 1.698 43.738 42.059 -0.032 0.000 1.326 365 L HN 0.384 nan 8.230 nan 0.000 0.435 366 P HA 0.567 nan 4.420 nan 0.000 0.283 366 P C -1.404 175.880 177.300 -0.027 0.000 1.271 366 P CA -0.499 62.578 63.100 -0.038 0.000 0.841 366 P CB 2.183 33.859 31.700 -0.040 0.000 1.122 367 E N -0.518 119.668 120.200 -0.024 0.000 2.447 367 E HA 0.379 4.729 4.350 0.000 0.000 0.279 367 E C -2.018 174.572 176.600 -0.016 0.000 1.053 367 E CA -1.201 55.188 56.400 -0.018 0.000 0.840 367 E CB 0.653 30.343 29.700 -0.018 0.000 1.409 367 E HN 0.575 nan 8.360 nan 0.000 0.461 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.093 63.100 -0.011 0.000 0.800 368 P CB 0.000 31.695 31.700 -0.009 0.000 0.726