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 1lci_1_A DATA FIRST_RESID 4 DATA SEQUENCE AKNIKKGPAP FYPLEDGTAG EQLHKAMKRY ALVPGTIAFT DAHIEVNITY DATA SEQUENCE AEYFEMSVRL AEAMKRYGLN TNHRIVVCSE NSLQFFMPVL GALFIGVAVA DATA SEQUENCE PANDIYNERE LLNSMNISQP TVVFVSKKGL QKILNVQKKL PIIQKIIIMD DATA SEQUENCE SKTDYQGFQS MYTFVTSHLP PGFNEYDFVP ESFDRDKTIA LIMNSXXXXX DATA SEQUENCE LPKGVALPHR TACVRFSHAR DPIFGNQIIP DTAILSVVPF HHGFGMFTTL DATA SEQUENCE GYLICGFRVV LMYRFEEELF LRSLQDYKIQ SALLVPTLFS FFAKSTLIDK DATA SEQUENCE YDLSNLHEIA SGGAPLSKEV GEAVAKRFHL PGIRQGYGLT ETTSAILITP DATA SEQUENCE EGXXXPGAVG KVVPFFEAKV VDLDTGKTLG VNQRGELCVR GPMIMSGYVN DATA SEQUENCE NPEATNALID KDGWLHSGDI AYWDEDEHFF IVXXXXXLIK YKGYQVAPAE DATA SEQUENCE LESILLQHPN IFDAGVAGLP DDDAGELPAA VVVLEHGKTM TEKEIVDYVA DATA SEQUENCE SQVTTAKKLR GGVVFVDEVP XXXXXKLDAR KIREILIKAK K 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 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.616 177.584 0.053 0.000 1.274 4 A CA 0.000 52.072 52.037 0.059 0.000 0.836 4 A CB 0.000 19.044 19.000 0.074 0.000 0.831 5 K N 0.085 120.523 120.400 0.064 0.000 2.520 5 K HA 0.271 4.591 4.320 0.001 0.000 0.205 5 K C 0.369 176.996 176.600 0.043 0.000 1.035 5 K CA 0.850 57.161 56.287 0.041 0.000 1.188 5 K CB -1.217 31.322 32.500 0.065 0.000 0.894 5 K HN 0.578 nan 8.250 nan 0.000 0.497 6 N N 0.098 118.857 118.700 0.100 0.000 2.230 6 N HA 0.174 4.914 4.740 0.001 0.000 0.202 6 N C -0.688 174.837 175.510 0.024 0.000 1.119 6 N CA -0.289 52.901 53.050 0.232 0.000 0.851 6 N CB 0.519 39.217 38.487 0.352 0.000 0.990 6 N HN 0.236 nan 8.380 nan 0.000 0.497 7 I N 1.893 122.426 120.570 -0.062 0.000 2.330 7 I HA 0.208 4.378 4.170 0.001 0.000 0.289 7 I C -0.065 175.955 176.117 -0.161 0.000 1.001 7 I CA -0.555 60.730 61.300 -0.024 0.000 1.193 7 I CB 1.096 39.172 38.000 0.127 0.000 1.345 7 I HN -0.155 nan 8.210 nan 0.000 0.461 8 K N 5.690 125.951 120.400 -0.230 0.000 2.234 8 K HA 0.503 4.824 4.320 0.001 0.000 0.282 8 K C 0.177 176.759 176.600 -0.029 0.000 1.039 8 K CA -0.372 55.793 56.287 -0.204 0.000 0.928 8 K CB 1.148 33.568 32.500 -0.132 0.000 1.039 8 K HN 0.670 nan 8.250 nan 0.000 0.470 9 K N 0.979 121.355 120.400 -0.040 0.000 2.324 9 K HA 0.572 4.892 4.320 0.001 0.000 0.253 9 K C 0.241 176.814 176.600 -0.044 0.000 0.932 9 K CA -0.531 55.738 56.287 -0.029 0.000 0.799 9 K CB 1.536 34.015 32.500 -0.035 0.000 1.154 9 K HN 0.709 nan 8.250 nan 0.000 0.425 10 G N 3.184 111.943 108.800 -0.068 0.000 2.544 10 G HA2 0.495 4.455 3.960 0.001 0.000 0.242 10 G HA3 0.495 4.455 3.960 0.001 0.000 0.242 10 G C -1.966 172.852 174.900 -0.137 0.000 1.247 10 G CA -0.652 44.362 45.100 -0.143 0.000 0.840 10 G HN 0.594 nan 8.290 nan 0.000 0.578 11 P HA 0.391 nan 4.420 nan 0.000 0.293 11 P C -0.060 177.164 177.300 -0.127 0.000 1.298 11 P CA -0.395 62.672 63.100 -0.055 0.000 0.757 11 P CB 0.486 32.227 31.700 0.069 0.000 1.262 12 A N 0.502 123.275 122.820 -0.077 0.000 2.388 12 A HA 0.481 4.801 4.320 0.001 0.000 0.257 12 A C -1.848 175.707 177.584 -0.047 0.000 1.095 12 A CA -1.064 50.904 52.037 -0.116 0.000 0.791 12 A CB -1.233 17.731 19.000 -0.060 0.000 1.029 12 A HN 0.453 nan 8.150 nan 0.000 0.489 13 P HA 0.166 nan 4.420 nan 0.000 0.276 13 P C 0.322 177.753 177.300 0.219 0.000 1.244 13 P CA -0.315 62.847 63.100 0.104 0.000 0.801 13 P CB 0.654 32.411 31.700 0.096 0.000 1.006 14 F N 1.172 121.221 119.950 0.166 0.000 2.128 14 F HA 0.026 4.553 4.527 0.001 0.000 0.295 14 F C 0.555 176.377 175.800 0.036 0.000 1.100 14 F CA 0.983 59.045 58.000 0.103 0.000 1.260 14 F CB -0.476 38.633 39.000 0.180 0.000 1.009 14 F HN 0.154 nan 8.300 nan 0.000 0.476 15 Y N 1.667 122.085 120.300 0.196 0.000 2.367 15 Y HA 0.370 4.921 4.550 0.001 0.000 0.342 15 Y C -2.116 173.862 175.900 0.131 0.000 0.979 15 Y CA -3.197 54.950 58.100 0.078 0.000 1.161 15 Y CB 0.138 38.687 38.460 0.149 0.000 1.155 15 Y HN -0.081 nan 8.280 nan 0.000 0.503 16 P HA -0.018 nan 4.420 nan 0.000 0.272 16 P C -0.666 176.789 177.300 0.259 0.000 1.230 16 P CA -0.499 62.722 63.100 0.202 0.000 0.788 16 P CB 0.658 32.411 31.700 0.089 0.000 0.949 17 L N 2.173 123.590 121.223 0.324 0.000 2.540 17 L HA 0.000 4.340 4.340 0.001 0.000 0.276 17 L C 0.192 177.121 176.870 0.098 0.000 1.212 17 L CA 0.983 55.912 54.840 0.148 0.000 0.893 17 L CB -0.616 41.468 42.059 0.042 0.000 1.138 17 L HN 0.344 nan 8.230 nan 0.000 0.491 18 E N 3.739 123.986 120.200 0.078 0.000 2.248 18 E HA 0.240 4.590 4.350 0.001 0.000 0.272 18 E C -0.807 175.816 176.600 0.038 0.000 1.008 18 E CA -0.910 55.532 56.400 0.070 0.000 0.856 18 E CB 0.905 30.661 29.700 0.094 0.000 1.120 18 E HN 0.615 nan 8.360 nan 0.000 0.397 19 D N 0.561 120.976 120.400 0.024 0.000 2.361 19 D HA 0.340 4.981 4.640 0.001 0.000 0.239 19 D C 0.504 176.806 176.300 0.003 0.000 1.200 19 D CA 0.627 54.627 54.000 0.001 0.000 0.915 19 D CB 0.997 41.792 40.800 -0.009 0.000 1.170 19 D HN 0.661 nan 8.370 nan 0.000 0.444 20 G N -0.184 108.600 108.800 -0.027 0.000 2.587 20 G HA2 0.020 3.980 3.960 0.001 0.000 0.686 20 G HA3 0.020 3.980 3.960 0.001 0.000 0.686 20 G C 0.059 174.936 174.900 -0.037 0.000 1.236 20 G CA -0.327 44.745 45.100 -0.046 0.000 0.820 20 G HN 0.634 nan 8.290 nan 0.000 0.645 21 T N -0.970 113.510 114.554 -0.123 0.000 2.726 21 T HA 0.666 5.016 4.350 0.001 0.000 0.294 21 T C 1.962 176.803 174.700 0.236 0.000 1.013 21 T CA 0.800 62.860 62.100 -0.067 0.000 0.996 21 T CB 1.339 69.863 68.868 -0.573 0.000 1.016 21 T HN 2.232 nan 8.240 nan 0.000 0.529 22 A N 0.772 123.914 122.820 0.537 0.000 1.933 22 A HA 0.177 4.497 4.320 0.001 0.000 0.218 22 A C 2.475 180.433 177.584 0.623 0.000 1.175 22 A CA 1.665 54.040 52.037 0.563 0.000 0.628 22 A CB -1.628 17.584 19.000 0.354 0.000 0.814 22 A HN 1.093 nan 8.150 nan 0.000 0.444 23 G N -0.459 108.736 108.800 0.659 0.000 2.408 23 G HA2 -0.181 3.780 3.960 0.001 0.000 0.217 23 G HA3 -0.181 3.780 3.960 0.001 0.000 0.217 23 G C 1.429 176.635 174.900 0.509 0.000 1.150 23 G CA 0.946 46.470 45.100 0.706 0.000 0.776 23 G HN 0.659 nan 8.290 nan 0.000 0.542 24 E N 0.136 120.480 120.200 0.239 0.000 2.107 24 E HA -0.090 4.261 4.350 0.001 0.000 0.191 24 E C 2.676 179.376 176.600 0.165 0.000 0.982 24 E CA 0.696 57.153 56.400 0.096 0.000 0.809 24 E CB -0.093 29.581 29.700 -0.042 0.000 0.756 24 E HN 0.504 nan 8.360 nan 0.000 0.459 25 Q N 0.451 120.382 119.800 0.219 0.000 2.124 25 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 25 Q C 2.363 178.445 176.000 0.136 0.000 0.977 25 Q CA 0.918 56.835 55.803 0.190 0.000 0.850 25 Q CB -0.054 28.871 28.738 0.311 0.000 0.901 25 Q HN 0.315 nan 8.270 nan 0.000 0.429 26 L N -0.064 121.303 121.223 0.241 0.000 2.056 26 L HA -0.195 4.146 4.340 0.001 0.000 0.207 26 L C 2.708 179.780 176.870 0.336 0.000 1.078 26 L CA 1.095 56.076 54.840 0.234 0.000 0.749 26 L CB -0.620 41.676 42.059 0.396 0.000 0.901 26 L HN 0.392 nan 8.230 nan 0.000 0.433 27 H N 0.951 120.166 119.070 0.242 0.000 2.319 27 H HA -0.248 4.309 4.556 0.001 0.000 0.299 27 H C 2.273 177.635 175.328 0.058 0.000 1.092 27 H CA 2.272 58.330 56.048 0.016 0.000 1.302 27 H CB 0.191 29.718 29.762 -0.393 0.000 1.373 27 H HN 0.239 nan 8.280 nan 0.000 0.497 28 K N 0.265 120.736 120.400 0.118 0.000 2.009 28 K HA -0.118 4.202 4.320 0.001 0.000 0.210 28 K C 2.400 178.895 176.600 -0.175 0.000 1.049 28 K CA 1.321 57.601 56.287 -0.012 0.000 0.929 28 K CB -0.205 32.306 32.500 0.017 0.000 0.714 28 K HN 0.258 nan 8.250 nan 0.000 0.440 29 A N 1.222 123.957 122.820 -0.142 0.000 1.877 29 A HA -0.165 4.156 4.320 0.001 0.000 0.216 29 A C 2.184 179.518 177.584 -0.417 0.000 1.186 29 A CA 1.882 53.751 52.037 -0.280 0.000 0.620 29 A CB -0.512 18.425 19.000 -0.106 0.000 0.822 29 A HN 0.388 nan 8.150 nan 0.000 0.443 30 M N -1.000 118.557 119.600 -0.072 0.000 2.229 30 M HA -0.124 4.357 4.480 0.001 0.000 0.264 30 M C 2.243 178.367 176.300 -0.294 0.000 1.063 30 M CA 1.853 57.222 55.300 0.115 0.000 1.114 30 M CB -0.290 32.601 32.600 0.484 0.000 1.387 30 M HN 0.491 nan 8.290 nan 0.000 0.420 31 K N 0.604 120.577 120.400 -0.712 0.000 2.097 31 K HA -0.175 4.145 4.320 0.001 0.000 0.206 31 K C 2.165 178.386 176.600 -0.631 0.000 1.049 31 K CA 1.226 56.767 56.287 -1.244 0.000 0.933 31 K CB -0.041 31.851 32.500 -1.014 0.000 0.717 31 K HN 0.174 nan 8.250 nan 0.000 0.442 32 R N -0.482 119.680 120.500 -0.562 0.000 2.075 32 R HA -0.148 4.192 4.340 0.001 0.000 0.232 32 R C 1.818 177.836 176.300 -0.470 0.000 1.126 32 R CA 1.618 57.408 56.100 -0.516 0.000 0.963 32 R CB -0.222 29.695 30.300 -0.639 0.000 0.858 32 R HN 0.262 nan 8.270 nan 0.000 0.435 33 Y N -0.074 120.056 120.300 -0.284 0.000 2.314 33 Y HA 0.073 4.623 4.550 0.001 0.000 0.293 33 Y C 2.351 178.187 175.900 -0.108 0.000 1.129 33 Y CA 0.589 58.501 58.100 -0.313 0.000 1.201 33 Y CB -0.685 37.284 38.460 -0.818 0.000 0.999 33 Y HN 0.172 nan 8.280 nan 0.000 0.541 34 A N 0.238 123.086 122.820 0.047 0.000 1.972 34 A HA -0.128 4.193 4.320 0.001 0.000 0.219 34 A C 2.063 179.712 177.584 0.108 0.000 1.169 34 A CA 1.336 53.464 52.037 0.151 0.000 0.635 34 A CB -1.081 17.940 19.000 0.036 0.000 0.810 34 A HN 0.494 nan 8.150 nan 0.000 0.446 35 L N -0.222 120.997 121.223 -0.006 0.000 2.552 35 L HA 0.021 4.361 4.340 0.001 0.000 0.227 35 L C -0.253 176.607 176.870 -0.016 0.000 1.146 35 L CA -0.047 54.769 54.840 -0.041 0.000 0.858 35 L CB -0.032 41.969 42.059 -0.097 0.000 0.969 35 L HN 0.102 nan 8.230 nan 0.000 0.451 36 V N 0.814 120.743 119.914 0.024 0.000 2.294 36 V HA 0.262 4.383 4.120 0.001 0.000 0.272 36 V C -2.141 173.999 176.094 0.076 0.000 1.027 36 V CA -1.733 60.591 62.300 0.040 0.000 0.823 36 V CB 0.638 32.489 31.823 0.046 0.000 1.030 36 V HN -0.017 nan 8.190 nan 0.000 0.457 37 P HA 0.158 nan 4.420 nan 0.000 0.261 37 P C 1.104 178.457 177.300 0.088 0.000 1.173 37 P CA 1.513 64.661 63.100 0.080 0.000 0.760 37 P CB 0.543 32.275 31.700 0.054 0.000 0.783 38 G N 1.665 110.532 108.800 0.111 0.000 2.176 38 G HA2 -0.232 3.728 3.960 0.001 0.000 0.253 38 G HA3 -0.232 3.728 3.960 0.001 0.000 0.253 38 G C 0.279 175.250 174.900 0.119 0.000 0.979 38 G CA 0.070 45.231 45.100 0.103 0.000 0.641 38 G HN 0.586 nan 8.290 nan 0.000 0.530 39 T N 1.947 116.595 114.554 0.156 0.000 2.784 39 T HA 0.459 4.810 4.350 0.001 0.000 0.291 39 T C 0.943 175.809 174.700 0.276 0.000 0.942 39 T CA 0.204 62.418 62.100 0.190 0.000 1.161 39 T CB 0.770 69.748 68.868 0.184 0.000 0.885 39 T HN 0.348 nan 8.240 nan 0.000 0.534 40 I N 2.834 123.506 120.570 0.170 0.000 2.416 40 I HA 0.288 4.458 4.170 0.001 0.000 0.288 40 I C 1.261 177.354 176.117 -0.040 0.000 1.051 40 I CA -0.527 60.818 61.300 0.075 0.000 1.375 40 I CB 1.118 39.130 38.000 0.020 0.000 1.407 40 I HN 0.726 nan 8.210 nan 0.000 0.516 41 A N 6.644 129.260 122.820 -0.340 0.000 1.901 41 A HA 0.308 4.628 4.320 0.001 0.000 0.210 41 A C 0.434 177.557 177.584 -0.768 0.000 1.208 41 A CA 0.911 52.400 52.037 -0.914 0.000 0.644 41 A CB 0.173 18.432 19.000 -1.235 0.000 0.863 41 A HN 0.558 nan 8.150 nan 0.000 0.454 42 F N -1.348 118.443 119.950 -0.265 0.000 2.599 42 F HA 0.569 5.097 4.527 0.001 0.000 0.311 42 F C -0.405 175.344 175.800 -0.085 0.000 1.076 42 F CA -0.462 57.444 58.000 -0.156 0.000 0.937 42 F CB 2.461 41.414 39.000 -0.079 0.000 1.282 42 F HN -0.223 nan 8.300 nan 0.000 0.460 43 T N 0.868 115.472 114.554 0.083 0.000 2.928 43 T HA 0.184 4.534 4.350 0.001 0.000 0.296 43 T C -1.641 173.054 174.700 -0.008 0.000 1.000 43 T CA -0.722 61.359 62.100 -0.031 0.000 0.989 43 T CB 1.621 70.319 68.868 -0.282 0.000 1.005 43 T HN 0.465 nan 8.240 nan 0.000 0.442 44 D N 2.369 122.805 120.400 0.061 0.000 2.347 44 D HA 0.383 5.023 4.640 0.001 0.000 0.235 44 D C 1.107 177.417 176.300 0.017 0.000 1.149 44 D CA -0.548 53.514 54.000 0.103 0.000 0.850 44 D CB 1.515 42.435 40.800 0.200 0.000 1.061 44 D HN 0.583 nan 8.370 nan 0.000 0.487 45 A N 4.932 127.688 122.820 -0.106 0.000 2.019 45 A HA -0.185 4.136 4.320 0.001 0.000 0.219 45 A C 1.722 179.205 177.584 -0.168 0.000 1.164 45 A CA 1.093 53.046 52.037 -0.141 0.000 0.644 45 A CB -0.441 18.406 19.000 -0.255 0.000 0.805 45 A HN 0.726 nan 8.150 nan 0.000 0.449 46 H N -0.066 118.947 119.070 -0.095 0.000 2.333 46 H HA -0.013 4.544 4.556 0.001 0.000 0.302 46 H C 2.019 177.354 175.328 0.013 0.000 1.075 46 H CA 1.749 57.738 56.048 -0.099 0.000 1.348 46 H CB -0.170 29.435 29.762 -0.263 0.000 1.393 46 H HN 0.727 nan 8.280 nan 0.000 0.509 47 I N -1.533 119.148 120.570 0.185 0.000 3.968 47 I HA 0.145 4.315 4.170 0.001 0.000 0.328 47 I C 0.088 176.273 176.117 0.113 0.000 1.290 47 I CA 0.226 61.613 61.300 0.144 0.000 1.163 47 I CB 0.325 38.417 38.000 0.154 0.000 1.024 47 I HN -0.025 nan 8.210 nan 0.000 0.413 48 E N 0.367 120.636 120.200 0.116 0.000 3.628 48 E HA -0.139 4.211 4.350 0.001 0.000 0.309 48 E C -0.151 176.519 176.600 0.117 0.000 0.839 48 E CA 0.344 56.822 56.400 0.130 0.000 1.123 48 E CB -1.453 28.314 29.700 0.112 0.000 1.568 48 E HN 0.418 nan 8.360 nan 0.000 0.440 49 V N 1.805 121.783 119.914 0.106 0.000 2.546 49 V HA 0.191 4.311 4.120 0.001 0.000 0.284 49 V C 0.614 176.768 176.094 0.099 0.000 1.050 49 V CA -0.362 61.997 62.300 0.099 0.000 0.981 49 V CB 1.378 33.259 31.823 0.098 0.000 0.990 49 V HN 0.143 nan 8.190 nan 0.000 0.474 50 N N 3.833 122.591 118.700 0.097 0.000 2.443 50 N HA 0.553 5.294 4.740 0.001 0.000 0.295 50 N C -0.843 174.743 175.510 0.127 0.000 1.076 50 N CA -0.388 52.721 53.050 0.098 0.000 0.919 50 N CB 2.861 41.398 38.487 0.083 0.000 1.176 50 N HN 0.644 nan 8.380 nan 0.000 0.487 51 I N 1.061 121.731 120.570 0.166 0.000 2.418 51 I HA 0.205 4.376 4.170 0.001 0.000 0.287 51 I C 0.439 176.673 176.117 0.196 0.000 1.008 51 I CA -0.438 60.988 61.300 0.210 0.000 1.104 51 I CB 1.261 39.438 38.000 0.297 0.000 1.264 51 I HN 0.534 nan 8.210 nan 0.000 0.438 52 T N 2.770 117.435 114.554 0.185 0.000 2.788 52 T HA 0.194 4.544 4.350 0.001 0.000 0.287 52 T C 0.988 175.819 174.700 0.218 0.000 1.007 52 T CA 0.071 62.281 62.100 0.183 0.000 1.005 52 T CB 0.678 69.666 68.868 0.200 0.000 1.012 52 T HN 0.546 nan 8.240 nan 0.000 0.530 53 Y N 0.739 121.170 120.300 0.220 0.000 2.224 53 Y HA -0.007 4.543 4.550 0.001 0.000 0.289 53 Y C 2.963 179.064 175.900 0.334 0.000 1.146 53 Y CA 1.758 60.024 58.100 0.277 0.000 1.182 53 Y CB -0.951 37.645 38.460 0.226 0.000 0.983 53 Y HN 0.856 nan 8.280 nan 0.000 0.524 54 A N 0.187 123.258 122.820 0.417 0.000 1.883 54 A HA -0.253 4.067 4.320 0.001 0.000 0.217 54 A C 2.049 179.853 177.584 0.368 0.000 1.186 54 A CA 2.050 54.325 52.037 0.397 0.000 0.624 54 A CB -0.689 18.496 19.000 0.308 0.000 0.822 54 A HN 0.526 nan 8.150 nan 0.000 0.444 55 E N -1.766 118.607 120.200 0.287 0.000 2.051 55 E HA -0.214 4.136 4.350 0.001 0.000 0.192 55 E C 1.920 178.615 176.600 0.158 0.000 0.991 55 E CA 1.556 58.081 56.400 0.210 0.000 0.799 55 E CB -0.315 29.494 29.700 0.182 0.000 0.748 55 E HN 0.740 nan 8.360 nan 0.000 0.449 56 Y N -0.124 120.279 120.300 0.172 0.000 2.145 56 Y HA -0.245 4.305 4.550 0.001 0.000 0.286 56 Y C 2.097 178.101 175.900 0.172 0.000 1.145 56 Y CA 1.658 59.843 58.100 0.142 0.000 1.148 56 Y CB -0.261 38.270 38.460 0.119 0.000 0.981 56 Y HN 0.070 nan 8.280 nan 0.000 0.507 57 F N 0.945 121.060 119.950 0.276 0.000 2.102 57 F HA -0.209 4.318 4.527 0.001 0.000 0.298 57 F C 2.106 177.944 175.800 0.064 0.000 1.105 57 F CA 2.167 60.284 58.000 0.195 0.000 1.239 57 F CB -0.489 38.594 39.000 0.138 0.000 0.991 57 F HN 0.066 nan 8.300 nan 0.000 0.474 58 E N -0.485 119.712 120.200 -0.005 0.000 2.106 58 E HA -0.246 4.105 4.350 0.001 0.000 0.192 58 E C 2.059 178.561 176.600 -0.164 0.000 0.984 58 E CA 1.476 57.793 56.400 -0.139 0.000 0.806 58 E CB -0.299 29.460 29.700 0.100 0.000 0.750 58 E HN 0.377 nan 8.360 nan 0.000 0.458 59 M N 0.412 119.924 119.600 -0.146 0.000 2.200 59 M HA -0.065 4.416 4.480 0.001 0.000 0.265 59 M C 1.991 178.122 176.300 -0.282 0.000 1.066 59 M CA 1.505 56.662 55.300 -0.239 0.000 1.127 59 M CB 0.033 32.443 32.600 -0.317 0.000 1.379 59 M HN -0.144 nan 8.290 nan 0.000 0.420 60 S N -0.676 114.874 115.700 -0.250 0.000 2.368 60 S HA -0.084 4.386 4.470 0.001 0.000 0.224 60 S C 1.956 176.442 174.600 -0.190 0.000 1.029 60 S CA 1.378 59.446 58.200 -0.219 0.000 0.988 60 S CB -0.558 62.587 63.200 -0.092 0.000 0.838 60 S HN 0.382 nan 8.310 nan 0.000 0.462 61 V N 2.028 121.775 119.914 -0.278 0.000 2.343 61 V HA -0.178 3.942 4.120 0.001 0.000 0.247 61 V C 2.448 178.262 176.094 -0.466 0.000 1.051 61 V CA 1.707 63.683 62.300 -0.540 0.000 1.036 61 V CB -0.558 30.795 31.823 -0.784 0.000 0.654 61 V HN 0.365 nan 8.190 nan 0.000 0.451 62 R N -0.596 119.751 120.500 -0.256 0.000 2.092 62 R HA -0.075 4.266 4.340 0.001 0.000 0.231 62 R C 2.266 178.389 176.300 -0.295 0.000 1.119 62 R CA 1.269 57.201 56.100 -0.279 0.000 0.970 62 R CB -0.371 29.843 30.300 -0.143 0.000 0.864 62 R HN 0.399 nan 8.270 nan 0.000 0.440 63 L N 0.023 121.112 121.223 -0.223 0.000 2.056 63 L HA -0.153 4.188 4.340 0.001 0.000 0.207 63 L C 2.602 179.430 176.870 -0.070 0.000 1.078 63 L CA 1.161 55.933 54.840 -0.114 0.000 0.749 63 L CB -0.472 41.480 42.059 -0.179 0.000 0.901 63 L HN 0.266 nan 8.230 nan 0.000 0.433 64 A N -0.108 122.636 122.820 -0.126 0.000 1.858 64 A HA -0.279 4.041 4.320 0.001 0.000 0.216 64 A C 2.169 179.789 177.584 0.060 0.000 1.190 64 A CA 2.010 54.056 52.037 0.015 0.000 0.617 64 A CB -0.568 18.499 19.000 0.113 0.000 0.827 64 A HN 0.384 nan 8.150 nan 0.000 0.443 65 E N 0.173 120.318 120.200 -0.091 0.000 2.077 65 E HA -0.088 4.262 4.350 0.001 0.000 0.193 65 E C 2.000 178.523 176.600 -0.129 0.000 0.989 65 E CA 1.704 58.062 56.400 -0.069 0.000 0.800 65 E CB -0.479 28.920 29.700 -0.502 0.000 0.746 65 E HN 0.473 nan 8.360 nan 0.000 0.452 66 A N 0.139 122.843 122.820 -0.193 0.000 1.902 66 A HA -0.149 4.171 4.320 0.001 0.000 0.217 66 A C 2.310 179.857 177.584 -0.060 0.000 1.181 66 A CA 1.747 53.671 52.037 -0.188 0.000 0.623 66 A CB -0.511 18.304 19.000 -0.308 0.000 0.818 66 A HN 0.350 nan 8.150 nan 0.000 0.443 67 M N -0.839 118.841 119.600 0.133 0.000 2.175 67 M HA -0.138 4.342 4.480 0.001 0.000 0.264 67 M C 2.270 178.662 176.300 0.153 0.000 1.063 67 M CA 1.990 57.419 55.300 0.215 0.000 1.119 67 M CB -0.275 32.437 32.600 0.186 0.000 1.377 67 M HN 0.537 nan 8.290 nan 0.000 0.415 68 K N 0.236 120.707 120.400 0.119 0.000 2.026 68 K HA -0.166 4.154 4.320 0.001 0.000 0.208 68 K C 2.098 178.740 176.600 0.069 0.000 1.048 68 K CA 1.290 57.642 56.287 0.109 0.000 0.929 68 K CB 0.032 32.619 32.500 0.146 0.000 0.713 68 K HN 0.107 nan 8.250 nan 0.000 0.439 69 R N -0.192 120.337 120.500 0.048 0.000 2.096 69 R HA -0.162 4.179 4.340 0.001 0.000 0.235 69 R C 2.256 178.574 176.300 0.031 0.000 1.127 69 R CA 1.414 57.536 56.100 0.038 0.000 0.968 69 R CB -0.927 29.393 30.300 0.034 0.000 0.861 69 R HN 0.440 nan 8.270 nan 0.000 0.440 70 Y N 0.375 120.570 120.300 -0.175 0.000 2.333 70 Y HA -0.132 4.418 4.550 0.001 0.000 0.290 70 Y C 1.333 177.157 175.900 -0.127 0.000 1.144 70 Y CA 1.833 59.776 58.100 -0.261 0.000 1.228 70 Y CB 0.076 38.328 38.460 -0.346 0.000 0.985 70 Y HN 0.336 nan 8.280 nan 0.000 0.542 71 G N -0.711 108.047 108.800 -0.070 0.000 2.227 71 G HA2 -0.164 3.796 3.960 0.001 0.000 0.168 71 G HA3 -0.164 3.796 3.960 0.001 0.000 0.168 71 G C -0.218 174.568 174.900 -0.189 0.000 1.006 71 G CA -0.044 44.969 45.100 -0.145 0.000 0.684 71 G HN 0.230 nan 8.290 nan 0.000 0.489 72 L N 1.349 122.506 121.223 -0.110 0.000 2.397 72 L HA 0.539 4.880 4.340 0.001 0.000 0.271 72 L C 0.634 177.560 176.870 0.092 0.000 1.148 72 L CA -0.149 54.569 54.840 -0.203 0.000 0.825 72 L CB 0.749 42.797 42.059 -0.020 0.000 1.117 72 L HN 0.565 nan 8.230 nan 0.000 0.456 73 N N -1.599 117.328 118.700 0.378 0.000 3.418 73 N HA 0.194 4.934 4.740 0.001 0.000 0.316 73 N C 0.475 176.089 175.510 0.173 0.000 1.601 73 N CA -0.258 52.935 53.050 0.237 0.000 0.805 73 N CB 0.196 38.795 38.487 0.186 0.000 1.873 73 N HN 0.443 nan 8.380 nan 0.000 0.615 74 T N -3.330 111.234 114.554 0.016 0.000 3.025 74 T HA -0.061 4.290 4.350 0.001 0.000 0.270 74 T C 0.527 175.173 174.700 -0.090 0.000 1.126 74 T CA 0.913 62.959 62.100 -0.091 0.000 1.105 74 T CB -0.675 68.085 68.868 -0.181 0.000 0.884 74 T HN 0.457 nan 8.240 nan 0.000 0.522 75 N N 0.905 119.525 118.700 -0.134 0.000 2.398 75 N HA 0.054 4.795 4.740 0.001 0.000 0.188 75 N C -0.259 174.968 175.510 -0.471 0.000 1.122 75 N CA 0.325 53.183 53.050 -0.320 0.000 0.866 75 N CB 0.159 38.383 38.487 -0.438 0.000 0.970 75 N HN 0.654 nan 8.380 nan 0.000 0.462 76 H N -0.516 118.554 119.070 0.000 0.000 2.710 76 H HA 0.529 5.085 4.556 0.001 0.000 0.361 76 H C -0.192 175.143 175.328 0.011 0.000 1.175 76 H CA -0.538 55.519 56.048 0.014 0.000 1.206 76 H CB 1.432 31.216 29.762 0.036 0.000 1.750 76 H HN -0.188 nan 8.280 nan 0.000 0.553 77 R N 0.853 121.440 120.500 0.145 0.000 2.744 77 R HA 0.547 4.888 4.340 0.001 0.000 0.279 77 R C -0.891 175.453 176.300 0.074 0.000 0.977 77 R CA -0.850 55.299 56.100 0.080 0.000 0.906 77 R CB 2.080 32.409 30.300 0.048 0.000 1.197 77 R HN 0.621 nan 8.270 nan 0.000 0.463 78 I N -1.950 118.651 120.570 0.052 0.000 2.797 78 I HA 0.712 4.883 4.170 0.001 0.000 0.307 78 I C -0.779 175.352 176.117 0.023 0.000 1.033 78 I CA -1.228 60.103 61.300 0.051 0.000 1.071 78 I CB 2.068 40.143 38.000 0.125 0.000 1.255 78 I HN 0.159 nan 8.210 nan 0.000 0.445 79 V N 4.329 124.253 119.914 0.017 0.000 2.581 79 V HA 0.478 4.598 4.120 0.001 0.000 0.303 79 V C -0.276 175.802 176.094 -0.027 0.000 1.041 79 V CA -0.628 61.663 62.300 -0.015 0.000 0.907 79 V CB 2.103 33.914 31.823 -0.020 0.000 0.994 79 V HN 0.569 nan 8.190 nan 0.000 0.442 80 V N 3.807 123.648 119.914 -0.121 0.000 2.378 80 V HA 0.353 4.473 4.120 0.001 0.000 0.288 80 V C -0.343 175.629 176.094 -0.202 0.000 1.016 80 V CA -0.455 61.689 62.300 -0.260 0.000 0.840 80 V CB 1.458 32.912 31.823 -0.614 0.000 0.994 80 V HN 0.968 nan 8.190 nan 0.000 0.431 81 C N 5.272 124.483 119.300 -0.149 0.000 2.362 81 C HA 0.821 5.281 4.460 0.001 0.000 0.309 81 C C -0.003 174.953 174.990 -0.056 0.000 1.110 81 C CA -0.023 58.946 59.018 -0.082 0.000 1.485 81 C CB -0.446 27.249 27.740 -0.076 0.000 1.949 81 C HN 0.949 nan 8.230 nan 0.000 0.419 82 S N 4.176 119.915 115.700 0.064 0.000 2.543 82 S HA 0.454 4.925 4.470 0.001 0.000 0.274 82 S C -0.912 173.827 174.600 0.232 0.000 1.149 82 S CA -0.471 57.792 58.200 0.105 0.000 0.866 82 S CB 1.267 64.517 63.200 0.083 0.000 1.111 82 S HN 0.873 nan 8.310 nan 0.000 0.457 83 E N 2.714 122.954 120.200 0.066 0.000 2.425 83 E HA 0.123 4.473 4.350 0.001 0.000 0.258 83 E C -0.532 176.081 176.600 0.021 0.000 1.151 83 E CA -0.356 56.049 56.400 0.008 0.000 0.958 83 E CB -0.044 29.574 29.700 -0.136 0.000 0.968 83 E HN 0.550 nan 8.360 nan 0.000 0.451 84 N N 0.490 119.111 118.700 -0.132 0.000 2.412 84 N HA 0.038 4.778 4.740 0.001 0.000 0.258 84 N C -0.490 175.047 175.510 0.044 0.000 1.236 84 N CA 0.385 53.257 53.050 -0.297 0.000 0.882 84 N CB 0.437 38.511 38.487 -0.689 0.000 1.066 84 N HN 0.598 nan 8.380 nan 0.000 0.465 85 S N 0.145 115.982 115.700 0.227 0.000 2.615 85 S HA 0.376 4.846 4.470 0.001 0.000 0.269 85 S C 0.694 175.434 174.600 0.233 0.000 1.161 85 S CA -0.894 57.434 58.200 0.213 0.000 0.817 85 S CB 0.557 63.816 63.200 0.099 0.000 1.131 85 S HN 0.293 nan 8.310 nan 0.000 0.467 86 L N 0.473 121.788 121.223 0.154 0.000 2.201 86 L HA -0.083 4.258 4.340 0.001 0.000 0.212 86 L C 2.308 179.212 176.870 0.056 0.000 1.105 86 L CA 1.214 56.105 54.840 0.085 0.000 0.775 86 L CB -0.510 41.632 42.059 0.139 0.000 0.913 86 L HN 0.683 nan 8.230 nan 0.000 0.440 87 Q N -1.333 118.502 119.800 0.058 0.000 2.331 87 Q HA -0.068 4.272 4.340 0.001 0.000 0.203 87 Q C 1.782 177.763 176.000 -0.031 0.000 0.944 87 Q CA 0.660 56.455 55.803 -0.014 0.000 0.892 87 Q CB -0.237 28.485 28.738 -0.026 0.000 0.983 87 Q HN 0.295 nan 8.270 nan 0.000 0.482 88 F N -0.006 119.895 119.950 -0.081 0.000 2.063 88 F HA -0.278 4.250 4.527 0.001 0.000 0.298 88 F C 1.166 176.737 175.800 -0.382 0.000 1.105 88 F CA 1.630 59.520 58.000 -0.183 0.000 1.215 88 F CB -0.120 38.870 39.000 -0.017 0.000 0.972 88 F HN 0.093 nan 8.300 nan 0.000 0.483 89 F N -0.609 119.387 119.950 0.075 0.000 2.811 89 F HA -0.016 4.511 4.527 0.001 0.000 0.301 89 F C 2.083 177.884 175.800 0.002 0.000 1.151 89 F CA 0.316 58.337 58.000 0.034 0.000 1.412 89 F CB -0.605 38.403 39.000 0.013 0.000 1.113 89 F HN -0.010 nan 8.300 nan 0.000 0.579 90 M N 0.591 120.167 119.600 -0.040 0.000 2.067 90 M HA -0.128 4.353 4.480 0.001 0.000 0.260 90 M C -0.344 175.701 176.300 -0.424 0.000 1.069 90 M CA 2.014 57.146 55.300 -0.279 0.000 1.117 90 M CB -1.534 30.796 32.600 -0.450 0.000 1.334 90 M HN -0.128 nan 8.290 nan 0.000 0.407 91 P HA -0.042 nan 4.420 nan 0.000 0.221 91 P C 1.576 178.496 177.300 -0.633 0.000 1.150 91 P CA 1.185 63.720 63.100 -0.942 0.000 0.800 91 P CB -0.119 30.525 31.700 -1.759 0.000 0.787 92 V N 0.645 120.255 119.914 -0.507 0.000 2.261 92 V HA -0.221 3.899 4.120 0.001 0.000 0.246 92 V C 2.829 178.774 176.094 -0.249 0.000 1.047 92 V CA 1.638 63.736 62.300 -0.337 0.000 1.015 92 V CB -1.307 30.324 31.823 -0.319 0.000 0.642 92 V HN -0.005 nan 8.190 nan 0.000 0.446 93 L N 0.349 121.424 121.223 -0.246 0.000 2.017 93 L HA -0.088 4.253 4.340 0.001 0.000 0.208 93 L C 2.726 179.044 176.870 -0.920 0.000 1.073 93 L CA 1.825 56.364 54.840 -0.501 0.000 0.745 93 L CB -1.316 40.536 42.059 -0.346 0.000 0.894 93 L HN 0.478 nan 8.230 nan 0.000 0.432 94 G N -0.216 108.220 108.800 -0.607 0.000 2.529 94 G HA2 -0.341 3.620 3.960 0.001 0.000 0.219 94 G HA3 -0.341 3.620 3.960 0.001 0.000 0.219 94 G C 1.732 176.519 174.900 -0.189 0.000 1.177 94 G CA 1.058 45.917 45.100 -0.403 0.000 0.773 94 G HN 0.495 nan 8.290 nan 0.000 0.573 95 A N 0.369 123.083 122.820 -0.177 0.000 1.898 95 A HA 0.136 4.456 4.320 0.001 0.000 0.216 95 A C 2.455 180.097 177.584 0.097 0.000 1.181 95 A CA 1.292 53.313 52.037 -0.026 0.000 0.620 95 A CB -0.372 18.588 19.000 -0.067 0.000 0.819 95 A HN 0.366 nan 8.150 nan 0.000 0.442 96 L N -1.467 119.793 121.223 0.061 0.000 2.131 96 L HA -0.146 4.194 4.340 0.001 0.000 0.210 96 L C 2.243 179.471 176.870 0.597 0.000 1.092 96 L CA 0.833 55.864 54.840 0.318 0.000 0.759 96 L CB -0.587 41.610 42.059 0.229 0.000 0.903 96 L HN 0.308 nan 8.230 nan 0.000 0.435 97 F N 0.437 120.592 119.950 0.342 0.000 2.293 97 F HA -0.118 4.409 4.527 0.001 0.000 0.300 97 F C 2.124 178.161 175.800 0.395 0.000 1.086 97 F CA 0.851 59.072 58.000 0.369 0.000 1.375 97 F CB -0.519 38.705 39.000 0.373 0.000 1.045 97 F HN 0.141 nan 8.300 nan 0.000 0.516 98 I N -4.112 116.782 120.570 0.540 0.000 4.082 98 I HA 0.534 4.704 4.170 0.001 0.000 0.337 98 I C 1.358 177.658 176.117 0.304 0.000 1.352 98 I CA 0.548 62.098 61.300 0.417 0.000 1.097 98 I CB 0.059 38.250 38.000 0.317 0.000 1.048 98 I HN 0.085 nan 8.210 nan 0.000 0.393 99 G N 1.953 110.924 108.800 0.286 0.000 2.147 99 G HA2 -0.205 3.756 3.960 0.001 0.000 0.244 99 G HA3 -0.205 3.756 3.960 0.001 0.000 0.244 99 G C 0.057 174.891 174.900 -0.110 0.000 1.005 99 G CA 0.174 45.127 45.100 -0.244 0.000 0.713 99 G HN 0.300 nan 8.290 nan 0.000 0.515 100 V N 0.956 120.904 119.914 0.058 0.000 2.498 100 V HA 0.647 4.767 4.120 0.001 0.000 0.279 100 V C 1.103 177.230 176.094 0.055 0.000 1.048 100 V CA -0.143 62.196 62.300 0.064 0.000 0.967 100 V CB 1.335 33.216 31.823 0.095 0.000 0.988 100 V HN 1.099 nan 8.190 nan 0.000 0.473 101 A N 5.378 128.221 122.820 0.038 0.000 2.440 101 A HA 0.523 4.844 4.320 0.001 0.000 0.251 101 A C -0.237 177.357 177.584 0.016 0.000 1.089 101 A CA -0.163 51.891 52.037 0.028 0.000 0.779 101 A CB 0.282 19.296 19.000 0.024 0.000 1.022 101 A HN 0.681 nan 8.150 nan 0.000 0.492 102 V N 2.077 121.988 119.914 -0.006 0.000 2.370 102 V HA 0.559 4.680 4.120 0.001 0.000 0.283 102 V C 0.525 176.611 176.094 -0.013 0.000 1.023 102 V CA -0.018 62.261 62.300 -0.036 0.000 0.857 102 V CB 1.240 33.009 31.823 -0.090 0.000 0.985 102 V HN 1.089 nan 8.190 nan 0.000 0.443 103 A N 7.600 130.416 122.820 -0.007 0.000 2.394 103 A HA 0.763 5.083 4.320 0.001 0.000 0.333 103 A C -2.751 174.839 177.584 0.011 0.000 1.397 103 A CA -1.662 50.388 52.037 0.022 0.000 0.884 103 A CB 0.501 19.522 19.000 0.035 0.000 1.147 103 A HN 0.610 nan 8.150 nan 0.000 0.505 104 P HA 0.347 nan 4.420 nan 0.000 0.276 104 P C -0.301 177.032 177.300 0.055 0.000 1.243 104 P CA 0.240 63.381 63.100 0.068 0.000 0.768 104 P CB 1.344 33.165 31.700 0.202 0.000 0.856 105 A N 3.435 126.246 122.820 -0.015 0.000 2.288 105 A HA 0.340 4.660 4.320 0.001 0.000 0.320 105 A C 0.188 177.550 177.584 -0.370 0.000 1.217 105 A CA -0.673 51.307 52.037 -0.095 0.000 0.840 105 A CB 0.158 19.155 19.000 -0.005 0.000 1.179 105 A HN 0.469 nan 8.150 nan 0.000 0.504 106 N N 2.331 120.542 118.700 -0.815 0.000 2.374 106 N HA -0.096 4.644 4.740 0.001 0.000 0.269 106 N C 0.609 175.720 175.510 -0.666 0.000 1.310 106 N CA 0.603 52.876 53.050 -1.296 0.000 0.877 106 N CB 0.631 38.039 38.487 -1.799 0.000 1.096 106 N HN 0.703 nan 8.380 nan 0.000 0.484 107 D N 3.156 123.280 120.400 -0.460 0.000 2.371 107 D HA -0.140 4.501 4.640 0.001 0.000 0.221 107 D C 1.463 177.714 176.300 -0.082 0.000 0.986 107 D CA 0.531 54.432 54.000 -0.165 0.000 0.899 107 D CB -0.090 40.668 40.800 -0.070 0.000 0.902 107 D HN 0.761 nan 8.370 nan 0.000 0.530 108 I N -4.209 116.310 120.570 -0.086 0.000 4.018 108 I HA 0.206 4.376 4.170 0.001 0.000 0.337 108 I C -0.217 175.965 176.117 0.107 0.000 1.327 108 I CA -0.846 60.460 61.300 0.009 0.000 1.100 108 I CB -0.243 37.769 38.000 0.020 0.000 1.025 108 I HN -0.355 nan 8.210 nan 0.000 0.396 109 Y N 4.673 124.942 120.300 -0.052 0.000 2.712 109 Y HA 0.020 4.570 4.550 0.001 0.000 0.333 109 Y C 1.000 176.882 175.900 -0.031 0.000 1.225 109 Y CA -0.715 57.361 58.100 -0.039 0.000 1.499 109 Y CB -0.006 38.422 38.460 -0.053 0.000 1.288 109 Y HN 0.479 nan 8.280 nan 0.000 0.575 110 N N 1.048 119.807 118.700 0.098 0.000 2.290 110 N HA 0.147 4.888 4.740 0.001 0.000 0.269 110 N C 1.106 176.619 175.510 0.006 0.000 1.295 110 N CA 0.381 53.450 53.050 0.031 0.000 0.932 110 N CB -0.081 38.407 38.487 0.001 0.000 1.128 110 N HN 0.569 nan 8.380 nan 0.000 0.532 111 E N -1.743 118.450 120.200 -0.012 0.000 2.268 111 E HA -0.089 4.262 4.350 0.001 0.000 0.195 111 E C 2.249 178.820 176.600 -0.048 0.000 0.995 111 E CA 1.891 58.279 56.400 -0.021 0.000 0.836 111 E CB -1.020 28.668 29.700 -0.020 0.000 0.763 111 E HN 0.736 nan 8.360 nan 0.000 0.491 112 R N 0.803 121.261 120.500 -0.071 0.000 2.066 112 R HA 0.060 4.400 4.340 0.001 0.000 0.224 112 R C 2.239 178.441 176.300 -0.162 0.000 1.122 112 R CA 1.434 57.477 56.100 -0.095 0.000 0.974 112 R CB -0.796 29.452 30.300 -0.087 0.000 0.871 112 R HN 0.642 nan 8.270 nan 0.000 0.435 113 E N 0.392 120.438 120.200 -0.256 0.000 2.110 113 E HA -0.125 4.225 4.350 0.001 0.000 0.193 113 E C 2.044 178.334 176.600 -0.516 0.000 0.988 113 E CA 1.175 57.232 56.400 -0.571 0.000 0.804 113 E CB -0.102 29.031 29.700 -0.945 0.000 0.745 113 E HN 0.287 nan 8.360 nan 0.000 0.458 114 L N 0.913 122.024 121.223 -0.187 0.000 2.017 114 L HA -0.153 4.187 4.340 0.001 0.000 0.208 114 L C 2.228 179.090 176.870 -0.014 0.000 1.073 114 L CA 1.262 56.120 54.840 0.031 0.000 0.745 114 L CB -0.562 41.533 42.059 0.060 0.000 0.894 114 L HN 0.147 nan 8.230 nan 0.000 0.432 115 L N -0.083 121.111 121.223 -0.048 0.000 2.012 115 L HA -0.268 4.072 4.340 0.001 0.000 0.210 115 L C 2.284 179.128 176.870 -0.044 0.000 1.073 115 L CA 2.215 57.031 54.840 -0.039 0.000 0.748 115 L CB -1.129 40.904 42.059 -0.044 0.000 0.891 115 L HN 0.589 nan 8.230 nan 0.000 0.431 116 N N -1.496 117.156 118.700 -0.080 0.000 2.043 116 N HA -0.269 4.472 4.740 0.001 0.000 0.193 116 N C 2.038 177.530 175.510 -0.030 0.000 1.037 116 N CA 1.562 54.570 53.050 -0.070 0.000 0.851 116 N CB -0.152 38.267 38.487 -0.112 0.000 1.027 116 N HN 0.499 nan 8.380 nan 0.000 0.422 117 S N 0.674 116.362 115.700 -0.020 0.000 2.369 117 S HA -0.172 4.298 4.470 0.001 0.000 0.225 117 S C 2.088 176.723 174.600 0.059 0.000 1.043 117 S CA 1.629 59.874 58.200 0.075 0.000 1.074 117 S CB -0.277 63.054 63.200 0.219 0.000 0.962 117 S HN 0.389 nan 8.310 nan 0.000 0.433 118 M N 0.829 120.454 119.600 0.041 0.000 2.394 118 M HA -0.012 4.468 4.480 0.001 0.000 0.264 118 M C 2.022 178.332 176.300 0.017 0.000 1.073 118 M CA 1.143 56.460 55.300 0.028 0.000 1.111 118 M CB -0.444 32.165 32.600 0.015 0.000 1.401 118 M HN 0.425 nan 8.290 nan 0.000 0.448 119 N N 0.826 119.531 118.700 0.008 0.000 2.244 119 N HA -0.060 4.680 4.740 0.001 0.000 0.183 119 N C 1.373 176.891 175.510 0.013 0.000 1.016 119 N CA 1.043 54.095 53.050 0.004 0.000 0.866 119 N CB 0.068 38.551 38.487 -0.007 0.000 0.980 119 N HN 0.294 nan 8.380 nan 0.000 0.430 120 I N -0.584 119.999 120.570 0.022 0.000 2.333 120 I HA -0.155 4.015 4.170 0.001 0.000 0.246 120 I C 2.073 178.213 176.117 0.037 0.000 1.106 120 I CA 0.861 62.180 61.300 0.032 0.000 1.411 120 I CB -0.219 37.807 38.000 0.044 0.000 1.082 120 I HN 0.232 nan 8.210 nan 0.000 0.420 121 S N -0.479 115.245 115.700 0.041 0.000 2.461 121 S HA -0.094 4.377 4.470 0.001 0.000 0.228 121 S C 0.922 175.540 174.600 0.030 0.000 1.005 121 S CA 0.017 58.241 58.200 0.040 0.000 0.942 121 S CB -0.162 63.064 63.200 0.044 0.000 0.776 121 S HN 0.415 nan 8.310 nan 0.000 0.514 122 Q N 1.623 121.438 119.800 0.024 0.000 2.437 122 Q HA -0.101 4.240 4.340 0.001 0.000 0.354 122 Q C -2.488 173.529 176.000 0.029 0.000 1.402 122 Q CA 0.798 56.614 55.803 0.022 0.000 1.020 122 Q CB -1.841 26.908 28.738 0.019 0.000 1.220 122 Q HN 0.547 nan 8.270 nan 0.000 0.368 123 P HA 0.107 nan 4.420 nan 0.000 0.279 123 P C 0.451 177.768 177.300 0.029 0.000 1.239 123 P CA -0.114 63.002 63.100 0.027 0.000 0.789 123 P CB 0.998 32.700 31.700 0.004 0.000 0.933 124 T N 0.581 115.168 114.554 0.055 0.000 2.937 124 T HA 0.079 4.429 4.350 0.001 0.000 0.260 124 T C 0.861 175.550 174.700 -0.018 0.000 1.051 124 T CA 0.845 62.981 62.100 0.060 0.000 1.141 124 T CB 0.063 69.010 68.868 0.133 0.000 0.879 124 T HN 0.229 nan 8.240 nan 0.000 0.459 125 V N 1.781 121.644 119.914 -0.086 0.000 2.604 125 V HA 0.540 4.661 4.120 0.001 0.000 0.305 125 V C -0.740 175.198 176.094 -0.261 0.000 1.043 125 V CA -0.917 61.224 62.300 -0.265 0.000 0.888 125 V CB 2.318 33.870 31.823 -0.453 0.000 0.995 125 V HN -0.010 nan 8.190 nan 0.000 0.429 126 V N 4.456 124.157 119.914 -0.355 0.000 2.409 126 V HA 0.500 4.620 4.120 0.001 0.000 0.291 126 V C -0.800 175.028 176.094 -0.443 0.000 1.020 126 V CA -0.481 61.655 62.300 -0.274 0.000 0.848 126 V CB 1.492 33.204 31.823 -0.185 0.000 0.990 126 V HN 0.664 nan 8.190 nan 0.000 0.430 127 F N 4.115 123.906 119.950 -0.265 0.000 2.405 127 F HA 0.651 5.178 4.527 0.001 0.000 0.355 127 F C 0.158 175.803 175.800 -0.258 0.000 1.121 127 F CA -0.360 57.468 58.000 -0.287 0.000 1.112 127 F CB 1.716 40.519 39.000 -0.330 0.000 1.126 127 F HN 0.292 nan 8.300 nan 0.000 0.481 128 V N 3.679 123.531 119.914 -0.103 0.000 2.841 128 V HA 0.556 4.676 4.120 0.001 0.000 0.310 128 V C -0.417 175.598 176.094 -0.131 0.000 1.090 128 V CA -0.665 61.559 62.300 -0.128 0.000 0.930 128 V CB 2.278 34.001 31.823 -0.167 0.000 1.014 128 V HN 0.820 nan 8.190 nan 0.000 0.425 129 S N 4.919 120.544 115.700 -0.126 0.000 2.600 129 S HA 0.287 4.757 4.470 0.001 0.000 0.265 129 S C 0.960 175.448 174.600 -0.187 0.000 1.325 129 S CA -0.091 58.019 58.200 -0.150 0.000 1.002 129 S CB 0.785 63.905 63.200 -0.133 0.000 0.921 129 S HN 0.804 nan 8.310 nan 0.000 0.554 130 K N 1.302 121.536 120.400 -0.276 0.000 2.074 130 K HA -0.180 4.141 4.320 0.001 0.000 0.209 130 K C 2.011 178.534 176.600 -0.128 0.000 1.048 130 K CA 1.878 57.962 56.287 -0.338 0.000 0.926 130 K CB -0.320 31.822 32.500 -0.597 0.000 0.713 130 K HN 0.823 nan 8.250 nan 0.000 0.444 131 K N -0.158 120.170 120.400 -0.121 0.000 2.486 131 K HA 0.004 4.324 4.320 0.001 0.000 0.194 131 K C 1.489 178.054 176.600 -0.058 0.000 1.033 131 K CA 1.211 57.457 56.287 -0.068 0.000 1.004 131 K CB 0.379 32.831 32.500 -0.079 0.000 0.798 131 K HN 0.111 nan 8.250 nan 0.000 0.495 132 G N 0.990 109.743 108.800 -0.078 0.000 3.159 132 G HA2 -0.004 3.956 3.960 0.001 0.000 0.232 132 G HA3 -0.004 3.956 3.960 0.001 0.000 0.232 132 G C 1.074 175.921 174.900 -0.089 0.000 1.116 132 G CA -0.339 44.717 45.100 -0.073 0.000 0.767 132 G HN 0.165 nan 8.290 nan 0.000 0.547 133 L N 1.068 122.233 121.223 -0.095 0.000 1.989 133 L HA -0.025 4.316 4.340 0.001 0.000 0.211 133 L C 3.067 179.860 176.870 -0.128 0.000 1.071 133 L CA 3.126 57.876 54.840 -0.149 0.000 0.749 133 L CB -0.874 41.118 42.059 -0.111 0.000 0.890 133 L HN 0.325 nan 8.230 nan 0.000 0.431 134 Q N -0.166 119.597 119.800 -0.062 0.000 2.030 134 Q HA -0.310 4.030 4.340 0.001 0.000 0.204 134 Q C 2.376 178.349 176.000 -0.044 0.000 0.986 134 Q CA 2.468 58.247 55.803 -0.040 0.000 0.843 134 Q CB -1.024 27.705 28.738 -0.014 0.000 0.904 134 Q HN 0.669 nan 8.270 nan 0.000 0.420 135 K N -0.331 120.044 120.400 -0.041 0.000 2.044 135 K HA -0.101 4.220 4.320 0.001 0.000 0.210 135 K C 2.085 178.657 176.600 -0.047 0.000 1.049 135 K CA 1.503 57.770 56.287 -0.034 0.000 0.927 135 K CB -0.277 32.208 32.500 -0.025 0.000 0.713 135 K HN 0.429 nan 8.250 nan 0.000 0.443 136 I N 1.215 121.740 120.570 -0.075 0.000 2.315 136 I HA -0.213 3.957 4.170 0.001 0.000 0.248 136 I C 2.210 178.273 176.117 -0.090 0.000 1.117 136 I CA 1.299 62.544 61.300 -0.093 0.000 1.404 136 I CB -0.917 36.998 38.000 -0.142 0.000 1.071 136 I HN 0.202 nan 8.210 nan 0.000 0.419 137 L N 0.577 121.741 121.223 -0.099 0.000 2.083 137 L HA -0.230 4.111 4.340 0.001 0.000 0.209 137 L C 2.178 179.036 176.870 -0.020 0.000 1.083 137 L CA 1.233 56.041 54.840 -0.053 0.000 0.752 137 L CB -0.568 41.472 42.059 -0.032 0.000 0.899 137 L HN 0.288 nan 8.230 nan 0.000 0.433 138 N N -0.645 118.040 118.700 -0.024 0.000 2.270 138 N HA -0.110 4.631 4.740 0.001 0.000 0.181 138 N C 1.803 177.302 175.510 -0.017 0.000 1.016 138 N CA 0.894 53.935 53.050 -0.016 0.000 0.870 138 N CB -0.309 38.168 38.487 -0.016 0.000 0.979 138 N HN 0.089 nan 8.380 nan 0.000 0.431 139 V N 1.228 121.128 119.914 -0.024 0.000 2.453 139 V HA -0.164 3.957 4.120 0.001 0.000 0.247 139 V C 2.498 178.582 176.094 -0.018 0.000 1.048 139 V CA 1.305 63.592 62.300 -0.022 0.000 1.049 139 V CB -0.487 31.322 31.823 -0.024 0.000 0.672 139 V HN 0.355 nan 8.190 nan 0.000 0.457 140 Q N 0.316 120.103 119.800 -0.020 0.000 2.084 140 Q HA -0.272 4.069 4.340 0.001 0.000 0.202 140 Q C 2.271 178.271 176.000 0.000 0.000 0.978 140 Q CA 1.823 57.619 55.803 -0.011 0.000 0.844 140 Q CB -0.099 28.634 28.738 -0.008 0.000 0.898 140 Q HN 0.585 nan 8.270 nan 0.000 0.426 141 K N 0.147 120.548 120.400 0.002 0.000 2.127 141 K HA -0.205 4.115 4.320 0.001 0.000 0.208 141 K C 1.934 178.534 176.600 0.000 0.000 1.047 141 K CA 2.000 58.290 56.287 0.004 0.000 0.927 141 K CB 0.011 32.513 32.500 0.002 0.000 0.716 141 K HN 0.209 nan 8.250 nan 0.000 0.450 142 K N -0.185 120.212 120.400 -0.004 0.000 2.334 142 K HA 0.136 4.457 4.320 0.001 0.000 0.195 142 K C 0.244 176.841 176.600 -0.004 0.000 1.045 142 K CA 0.231 56.514 56.287 -0.006 0.000 1.004 142 K CB 0.505 32.999 32.500 -0.011 0.000 0.837 142 K HN 0.023 nan 8.250 nan 0.000 0.510 143 L N 3.418 124.639 121.223 -0.003 0.000 2.313 143 L HA 0.226 4.566 4.340 0.001 0.000 0.273 143 L C -1.770 175.102 176.870 0.004 0.000 1.028 143 L CA -1.686 53.153 54.840 -0.001 0.000 0.871 143 L CB 1.358 43.416 42.059 -0.003 0.000 1.242 143 L HN -0.114 nan 8.230 nan 0.000 0.434 144 P HA -0.190 nan 4.420 nan 0.000 0.221 144 P C 1.476 178.786 177.300 0.017 0.000 1.145 144 P CA 1.133 64.240 63.100 0.011 0.000 0.795 144 P CB 0.637 32.343 31.700 0.010 0.000 0.775 145 I N -0.471 120.109 120.570 0.017 0.000 2.614 145 I HA -0.056 4.115 4.170 0.001 0.000 0.258 145 I C 0.936 177.069 176.117 0.028 0.000 1.189 145 I CA 0.479 61.795 61.300 0.027 0.000 1.462 145 I CB -0.084 37.933 38.000 0.028 0.000 1.092 145 I HN -0.245 nan 8.210 nan 0.000 0.442 146 I N 1.891 122.469 120.570 0.013 0.000 2.471 146 I HA -0.060 4.111 4.170 0.001 0.000 0.294 146 I C 1.082 177.206 176.117 0.011 0.000 1.123 146 I CA 0.343 61.642 61.300 -0.001 0.000 1.336 146 I CB 0.509 38.497 38.000 -0.020 0.000 1.430 146 I HN 0.319 nan 8.210 nan 0.000 0.533 147 Q N 3.894 123.708 119.800 0.023 0.000 2.339 147 Q HA 0.043 4.383 4.340 0.001 0.000 0.205 147 Q C 0.429 176.458 176.000 0.048 0.000 0.925 147 Q CA 0.666 56.501 55.803 0.053 0.000 0.898 147 Q CB 0.397 29.195 28.738 0.099 0.000 1.013 147 Q HN 0.366 nan 8.270 nan 0.000 0.504 148 K N 0.744 121.130 120.400 -0.024 0.000 2.513 148 K HA 0.416 4.736 4.320 0.001 0.000 0.251 148 K C -1.843 174.634 176.600 -0.205 0.000 0.939 148 K CA -0.180 56.048 56.287 -0.099 0.000 0.793 148 K CB 1.341 33.703 32.500 -0.231 0.000 1.241 148 K HN -0.081 nan 8.250 nan 0.000 0.431 149 I N 5.691 126.190 120.570 -0.118 0.000 2.433 149 I HA 0.478 4.649 4.170 0.001 0.000 0.292 149 I C -0.501 175.476 176.117 -0.234 0.000 1.001 149 I CA -0.927 60.242 61.300 -0.219 0.000 1.119 149 I CB 1.484 39.342 38.000 -0.237 0.000 1.289 149 I HN 0.499 nan 8.210 nan 0.000 0.438 150 I N 6.355 126.656 120.570 -0.448 0.000 2.498 150 I HA 0.366 4.536 4.170 0.001 0.000 0.290 150 I C -0.395 175.585 176.117 -0.228 0.000 1.032 150 I CA -0.856 60.203 61.300 -0.402 0.000 1.073 150 I CB 2.186 39.665 38.000 -0.868 0.000 1.251 150 I HN 0.277 nan 8.210 nan 0.000 0.426 151 I N 6.288 126.816 120.570 -0.069 0.000 2.416 151 I HA 0.169 4.339 4.170 0.001 0.000 0.288 151 I C 0.979 177.087 176.117 -0.014 0.000 1.051 151 I CA 0.111 61.381 61.300 -0.049 0.000 1.375 151 I CB 1.072 39.080 38.000 0.012 0.000 1.407 151 I HN 0.778 nan 8.210 nan 0.000 0.516 152 M N 3.736 123.310 119.600 -0.043 0.000 2.160 152 M HA -0.097 4.383 4.480 0.001 0.000 0.264 152 M C 0.500 176.790 176.300 -0.016 0.000 1.073 152 M CA 1.340 56.630 55.300 -0.017 0.000 1.142 152 M CB -0.176 32.386 32.600 -0.063 0.000 1.358 152 M HN 0.548 nan 8.290 nan 0.000 0.422 153 D N -0.177 120.175 120.400 -0.080 0.000 3.071 153 D HA 0.173 4.813 4.640 0.001 0.000 0.259 153 D C -0.471 175.765 176.300 -0.107 0.000 1.331 153 D CA 0.034 53.985 54.000 -0.083 0.000 0.861 153 D CB 0.255 40.981 40.800 -0.122 0.000 1.059 153 D HN -0.086 nan 8.370 nan 0.000 0.486 154 S N -0.418 115.254 115.700 -0.047 0.000 2.546 154 S HA 0.366 4.836 4.470 0.001 0.000 0.274 154 S C 0.503 175.108 174.600 0.009 0.000 1.121 154 S CA -0.661 57.516 58.200 -0.038 0.000 0.887 154 S CB 1.692 64.875 63.200 -0.029 0.000 1.094 154 S HN -0.080 nan 8.310 nan 0.000 0.474 155 K N 1.263 121.628 120.400 -0.058 0.000 2.168 155 K HA 0.146 4.466 4.320 0.001 0.000 0.201 155 K C 1.220 177.818 176.600 -0.003 0.000 1.049 155 K CA 1.042 57.235 56.287 -0.156 0.000 0.974 155 K CB -0.669 31.680 32.500 -0.251 0.000 0.792 155 K HN 0.848 nan 8.250 nan 0.000 0.463 156 T N -0.043 114.530 114.554 0.031 0.000 2.862 156 T HA 0.253 4.604 4.350 0.001 0.000 0.276 156 T C 0.161 174.935 174.700 0.123 0.000 0.974 156 T CA -0.881 61.262 62.100 0.071 0.000 0.966 156 T CB 0.842 69.745 68.868 0.057 0.000 1.072 156 T HN -0.136 nan 8.240 nan 0.000 0.538 157 D N 0.348 120.819 120.400 0.118 0.000 2.419 157 D HA 0.153 4.794 4.640 0.001 0.000 0.236 157 D C -1.029 175.394 176.300 0.205 0.000 1.165 157 D CA 0.625 54.712 54.000 0.145 0.000 0.882 157 D CB 0.042 40.892 40.800 0.083 0.000 1.201 157 D HN 0.639 nan 8.370 nan 0.000 0.443 158 Y N 0.876 121.235 120.300 0.097 0.000 2.322 158 Y HA 0.161 4.712 4.550 0.001 0.000 0.324 158 Y C -0.267 175.737 175.900 0.173 0.000 1.027 158 Y CA -0.522 57.638 58.100 0.100 0.000 1.179 158 Y CB 0.707 39.213 38.460 0.077 0.000 1.136 158 Y HN 0.447 nan 8.280 nan 0.000 0.449 159 Q N 4.699 124.308 119.800 -0.318 0.000 2.468 159 Q HA -0.257 4.084 4.340 0.001 0.000 0.289 159 Q C 1.060 177.028 176.000 -0.054 0.000 1.299 159 Q CA 1.266 56.935 55.803 -0.224 0.000 0.838 159 Q CB -1.507 27.021 28.738 -0.349 0.000 1.195 159 Q HN 1.444 nan 8.270 nan 0.000 0.456 160 G N -1.637 107.089 108.800 -0.123 0.000 2.199 160 G HA2 -0.327 3.634 3.960 0.001 0.000 0.254 160 G HA3 -0.327 3.634 3.960 0.001 0.000 0.254 160 G C -0.106 174.546 174.900 -0.413 0.000 0.982 160 G CA 0.314 45.240 45.100 -0.290 0.000 0.632 160 G HN 0.331 nan 8.290 nan 0.000 0.529 161 F N 1.411 121.360 119.950 -0.000 0.000 2.432 161 F HA 0.612 5.139 4.527 0.001 0.000 0.329 161 F C 0.984 176.812 175.800 0.046 0.000 1.076 161 F CA -0.754 57.257 58.000 0.017 0.000 1.018 161 F CB 1.006 40.017 39.000 0.019 0.000 1.201 161 F HN 0.033 nan 8.300 nan 0.000 0.489 162 Q N 0.953 120.874 119.800 0.203 0.000 2.354 162 Q HA 0.334 4.675 4.340 0.001 0.000 0.244 162 Q C 0.037 176.134 176.000 0.162 0.000 0.969 162 Q CA -0.559 55.345 55.803 0.167 0.000 0.885 162 Q CB 1.405 30.251 28.738 0.179 0.000 1.241 162 Q HN 0.819 nan 8.270 nan 0.000 0.461 163 S N 0.830 116.635 115.700 0.176 0.000 2.686 163 S HA 0.243 4.713 4.470 0.001 0.000 0.270 163 S C 1.064 175.775 174.600 0.186 0.000 1.194 163 S CA -0.649 57.655 58.200 0.174 0.000 0.990 163 S CB 0.619 63.949 63.200 0.216 0.000 1.029 163 S HN 0.668 nan 8.310 nan 0.000 0.560 164 M N -0.417 119.287 119.600 0.172 0.000 2.279 164 M HA -0.050 4.431 4.480 0.001 0.000 0.264 164 M C 1.323 177.639 176.300 0.026 0.000 1.062 164 M CA 1.508 56.872 55.300 0.107 0.000 1.099 164 M CB -0.635 31.950 32.600 -0.026 0.000 1.394 164 M HN 0.749 nan 8.290 nan 0.000 0.426 165 Y N 0.315 120.671 120.300 0.093 0.000 2.243 165 Y HA -0.128 4.423 4.550 0.001 0.000 0.293 165 Y C 3.078 179.023 175.900 0.074 0.000 1.124 165 Y CA 1.754 59.893 58.100 0.066 0.000 1.159 165 Y CB -1.102 37.380 38.460 0.037 0.000 1.008 165 Y HN 0.361 nan 8.280 nan 0.000 0.527 166 T N -2.499 112.199 114.554 0.241 0.000 2.942 166 T HA -0.188 4.162 4.350 0.001 0.000 0.265 166 T C 1.792 176.577 174.700 0.142 0.000 1.062 166 T CA 0.811 63.004 62.100 0.156 0.000 1.139 166 T CB -0.950 68.000 68.868 0.136 0.000 0.883 166 T HN 0.274 nan 8.240 nan 0.000 0.468 167 F N 2.262 122.241 119.950 0.049 0.000 2.102 167 F HA 0.003 4.530 4.527 0.001 0.000 0.298 167 F C 2.245 178.106 175.800 0.102 0.000 1.105 167 F CA 0.778 58.817 58.000 0.066 0.000 1.239 167 F CB -0.717 38.279 39.000 -0.007 0.000 0.991 167 F HN -0.011 nan 8.300 nan 0.000 0.474 168 V N 0.143 120.047 119.914 -0.017 0.000 2.287 168 V HA -0.353 3.767 4.120 0.001 0.000 0.248 168 V C 2.375 178.362 176.094 -0.179 0.000 1.053 168 V CA 2.589 64.792 62.300 -0.162 0.000 1.027 168 V CB -1.021 30.742 31.823 -0.101 0.000 0.646 168 V HN 0.471 nan 8.190 nan 0.000 0.447 169 T N -0.619 113.882 114.554 -0.087 0.000 2.849 169 T HA -0.168 4.182 4.350 0.001 0.000 0.270 169 T C 2.003 176.609 174.700 -0.158 0.000 1.066 169 T CA 1.714 63.768 62.100 -0.076 0.000 1.130 169 T CB -0.209 68.654 68.868 -0.009 0.000 0.864 169 T HN 0.492 nan 8.240 nan 0.000 0.481 170 S N -0.122 115.426 115.700 -0.253 0.000 2.453 170 S HA -0.026 4.445 4.470 0.001 0.000 0.231 170 S C 1.393 175.534 174.600 -0.765 0.000 1.005 170 S CA 0.571 58.488 58.200 -0.471 0.000 0.949 170 S CB -0.095 62.786 63.200 -0.530 0.000 0.774 170 S HN 0.645 nan 8.310 nan 0.000 0.510 171 H N -0.864 118.015 119.070 -0.318 0.000 3.170 171 H HA 0.347 4.904 4.556 0.001 0.000 0.264 171 H C 0.052 175.240 175.328 -0.233 0.000 1.113 171 H CA -0.238 55.643 56.048 -0.279 0.000 1.194 171 H CB 0.382 29.906 29.762 -0.397 0.000 1.553 171 H HN 0.242 nan 8.280 nan 0.000 0.538 172 L N 4.776 125.898 121.223 -0.169 0.000 2.416 172 L HA 0.149 4.489 4.340 0.001 0.000 0.272 172 L C -1.699 175.130 176.870 -0.068 0.000 1.161 172 L CA -1.587 53.136 54.840 -0.196 0.000 0.845 172 L CB 0.538 42.461 42.059 -0.227 0.000 1.119 172 L HN -0.058 nan 8.230 nan 0.000 0.464 173 P HA 0.185 nan 4.420 nan 0.000 0.274 173 P C -2.590 174.775 177.300 0.110 0.000 1.231 173 P CA -1.356 61.783 63.100 0.064 0.000 0.790 173 P CB 0.042 31.810 31.700 0.113 0.000 0.951 174 P HA -0.009 nan 4.420 nan 0.000 0.267 174 P C 0.875 178.241 177.300 0.111 0.000 1.200 174 P CA 0.792 63.941 63.100 0.081 0.000 0.772 174 P CB -0.037 31.694 31.700 0.050 0.000 0.855 175 G N 1.547 110.413 108.800 0.109 0.000 2.155 175 G HA2 -0.304 3.656 3.960 0.001 0.000 0.257 175 G HA3 -0.304 3.656 3.960 0.001 0.000 0.257 175 G C -0.028 174.949 174.900 0.129 0.000 0.983 175 G CA -0.129 45.030 45.100 0.099 0.000 0.676 175 G HN 0.582 nan 8.290 nan 0.000 0.528 176 F N 1.452 121.433 119.950 0.051 0.000 2.608 176 F HA 0.384 4.911 4.527 0.001 0.000 0.380 176 F C 0.502 176.352 175.800 0.084 0.000 1.083 176 F CA -0.021 58.019 58.000 0.066 0.000 1.266 176 F CB 0.351 39.382 39.000 0.051 0.000 1.076 176 F HN 0.186 nan 8.300 nan 0.000 0.574 177 N N 4.079 122.300 118.700 -0.798 0.000 2.483 177 N HA 0.211 4.951 4.740 0.001 0.000 0.267 177 N C 0.301 175.331 175.510 -0.800 0.000 0.998 177 N CA -0.531 52.202 53.050 -0.528 0.000 0.918 177 N CB 1.075 39.448 38.487 -0.190 0.000 1.215 177 N HN 0.578 nan 8.380 nan 0.000 0.500 178 E N 1.400 121.286 120.200 -0.523 0.000 2.160 178 E HA -0.191 4.159 4.350 0.001 0.000 0.195 178 E C 0.243 176.713 176.600 -0.217 0.000 0.991 178 E CA 1.505 57.687 56.400 -0.364 0.000 0.810 178 E CB -0.076 29.491 29.700 -0.222 0.000 0.742 178 E HN 0.676 nan 8.360 nan 0.000 0.466 179 Y N 0.099 120.455 120.300 0.094 0.000 2.511 179 Y HA 0.055 4.605 4.550 0.001 0.000 0.279 179 Y C 1.038 177.020 175.900 0.137 0.000 1.157 179 Y CA 0.404 58.624 58.100 0.199 0.000 1.300 179 Y CB 0.434 38.968 38.460 0.123 0.000 1.052 179 Y HN -0.015 nan 8.280 nan 0.000 0.529 180 D N -0.847 119.628 120.400 0.125 0.000 2.392 180 D HA -0.029 4.611 4.640 0.001 0.000 0.206 180 D C 0.161 176.512 176.300 0.085 0.000 1.046 180 D CA 0.014 54.059 54.000 0.076 0.000 0.865 180 D CB -0.182 40.620 40.800 0.004 0.000 0.969 180 D HN 0.118 nan 8.370 nan 0.000 0.509 181 F N 1.968 121.889 119.950 -0.048 0.000 2.607 181 F HA 0.090 4.618 4.527 0.001 0.000 0.374 181 F C -0.169 175.618 175.800 -0.022 0.000 1.104 181 F CA 0.064 58.081 58.000 0.027 0.000 1.296 181 F CB 0.566 39.641 39.000 0.124 0.000 1.085 181 F HN -0.360 nan 8.300 nan 0.000 0.584 182 V N 8.329 127.764 119.914 -0.798 0.000 2.444 182 V HA 0.345 4.465 4.120 0.001 0.000 0.294 182 V C -1.903 173.519 176.094 -1.121 0.000 1.022 182 V CA -1.694 60.176 62.300 -0.717 0.000 0.850 182 V CB 1.478 33.072 31.823 -0.380 0.000 0.992 182 V HN 0.710 nan 8.190 nan 0.000 0.426 183 P HA 0.150 nan 4.420 nan 0.000 0.270 183 P C -0.407 176.718 177.300 -0.291 0.000 1.223 183 P CA -0.327 62.485 63.100 -0.480 0.000 0.785 183 P CB 0.836 32.335 31.700 -0.336 0.000 0.923 184 E N 0.212 120.380 120.200 -0.053 0.000 2.392 184 E HA 0.145 4.495 4.350 0.001 0.000 0.264 184 E C 0.170 176.641 176.600 -0.216 0.000 1.024 184 E CA 0.244 56.653 56.400 0.016 0.000 0.903 184 E CB 0.452 30.348 29.700 0.326 0.000 0.963 184 E HN 0.284 nan 8.360 nan 0.000 0.432 185 S N 2.323 117.887 115.700 -0.227 0.000 2.501 185 S HA 0.764 5.234 4.470 0.001 0.000 0.301 185 S C -1.120 173.323 174.600 -0.261 0.000 1.096 185 S CA -0.617 57.329 58.200 -0.422 0.000 1.063 185 S CB 0.150 63.213 63.200 -0.229 0.000 1.042 185 S HN 0.382 nan 8.310 nan 0.000 0.494 186 F N 0.283 120.184 119.950 -0.082 0.000 2.807 186 F HA 0.453 4.981 4.527 0.001 0.000 0.316 186 F C -1.007 174.744 175.800 -0.082 0.000 1.162 186 F CA -1.491 56.462 58.000 -0.077 0.000 0.910 186 F CB 0.014 38.962 39.000 -0.086 0.000 1.314 186 F HN 0.439 nan 8.300 nan 0.000 0.454 187 D N 0.955 121.502 120.400 0.246 0.000 2.412 187 D HA 0.221 4.861 4.640 0.001 0.000 0.257 187 D C 1.150 177.582 176.300 0.219 0.000 1.217 187 D CA 0.017 54.103 54.000 0.143 0.000 0.897 187 D CB 0.926 41.777 40.800 0.086 0.000 1.132 187 D HN 0.688 nan 8.370 nan 0.000 0.493 188 R N 2.082 122.663 120.500 0.136 0.000 2.307 188 R HA 0.053 4.394 4.340 0.001 0.000 0.199 188 R C 0.495 176.881 176.300 0.144 0.000 1.000 188 R CA 0.580 56.786 56.100 0.178 0.000 1.023 188 R CB 0.169 30.528 30.300 0.099 0.000 0.908 188 R HN 0.281 nan 8.270 nan 0.000 0.473 189 D N 1.152 121.599 120.400 0.079 0.000 2.216 189 D HA -0.036 4.605 4.640 0.001 0.000 0.208 189 D C 2.094 178.419 176.300 0.042 0.000 0.960 189 D CA 1.785 55.808 54.000 0.038 0.000 0.861 189 D CB 0.056 40.859 40.800 0.006 0.000 0.985 189 D HN 0.475 nan 8.370 nan 0.000 0.493 190 K N 0.757 121.186 120.400 0.049 0.000 2.262 190 K HA 0.084 4.405 4.320 0.001 0.000 0.200 190 K C 1.255 177.873 176.600 0.031 0.000 1.049 190 K CA 0.565 56.870 56.287 0.030 0.000 0.979 190 K CB -0.795 31.717 32.500 0.020 0.000 0.773 190 K HN 0.077 nan 8.250 nan 0.000 0.474 191 T N 1.606 116.195 114.554 0.059 0.000 2.749 191 T HA 0.494 4.844 4.350 0.001 0.000 0.295 191 T C 0.005 174.803 174.700 0.162 0.000 0.936 191 T CA -0.270 61.836 62.100 0.009 0.000 1.060 191 T CB 0.569 69.303 68.868 -0.224 0.000 0.904 191 T HN 0.286 nan 8.240 nan 0.000 0.500 192 I N 2.867 123.490 120.570 0.089 0.000 2.371 192 I HA 0.298 4.468 4.170 0.001 0.000 0.290 192 I C 1.275 177.448 176.117 0.093 0.000 1.028 192 I CA -0.277 61.078 61.300 0.091 0.000 1.345 192 I CB 1.211 39.234 38.000 0.038 0.000 1.407 192 I HN 0.796 nan 8.210 nan 0.000 0.501 193 A N 7.471 130.284 122.820 -0.013 0.000 1.844 193 A HA 0.262 4.582 4.320 0.001 0.000 0.212 193 A C 0.559 178.115 177.584 -0.047 0.000 1.221 193 A CA 0.944 52.854 52.037 -0.212 0.000 0.607 193 A CB 0.147 18.899 19.000 -0.414 0.000 0.878 193 A HN 0.469 nan 8.150 nan 0.000 0.451 194 L N -0.067 121.172 121.223 0.026 0.000 2.362 194 L HA 0.539 4.879 4.340 0.001 0.000 0.271 194 L C -1.026 175.892 176.870 0.079 0.000 1.002 194 L CA -0.159 54.720 54.840 0.065 0.000 0.818 194 L CB 1.412 43.561 42.059 0.151 0.000 1.298 194 L HN 0.286 nan 8.230 nan 0.000 0.420 195 I N 4.067 124.679 120.570 0.070 0.000 2.371 195 I HA 0.296 4.466 4.170 0.001 0.000 0.282 195 I C -0.078 176.101 176.117 0.103 0.000 1.031 195 I CA -0.214 61.136 61.300 0.083 0.000 1.180 195 I CB 1.167 39.209 38.000 0.069 0.000 1.336 195 I HN 0.380 nan 8.210 nan 0.000 0.467 196 M N 4.073 123.749 119.600 0.127 0.000 2.342 196 M HA 0.318 4.799 4.480 0.001 0.000 0.332 196 M C -0.238 176.158 176.300 0.160 0.000 1.166 196 M CA -0.412 54.974 55.300 0.143 0.000 1.086 196 M CB 0.744 33.435 32.600 0.152 0.000 1.541 196 M HN 0.365 nan 8.290 nan 0.000 0.462 197 N N 0.173 118.981 118.700 0.180 0.000 2.434 197 N HA 0.327 5.067 4.740 0.001 0.000 0.272 197 N C -0.593 175.046 175.510 0.215 0.000 1.040 197 N CA -0.164 53.009 53.050 0.206 0.000 0.956 197 N CB 1.243 39.885 38.487 0.257 0.000 1.108 197 N HN 0.608 nan 8.380 nan 0.000 0.481 205 P HA 0.478 nan 4.420 nan 0.000 0.267 205 P C -0.323 176.977 177.300 -0.000 0.000 1.200 205 P CA 0.145 63.255 63.100 0.016 0.000 0.772 205 P CB 0.646 32.393 31.700 0.077 0.000 0.855 206 K N 0.427 120.823 120.400 -0.008 0.000 2.123 206 K HA 0.614 4.934 4.320 0.001 0.000 0.248 206 K C 0.395 177.070 176.600 0.124 0.000 0.969 206 K CA -0.768 55.506 56.287 -0.021 0.000 0.882 206 K CB 1.261 33.590 32.500 -0.285 0.000 1.080 206 K HN 0.546 nan 8.250 nan 0.000 0.441 207 G N 0.637 109.531 108.800 0.157 0.000 2.320 207 G HA2 0.359 4.319 3.960 0.001 0.000 0.300 207 G HA3 0.359 4.319 3.960 0.001 0.000 0.300 207 G C -0.713 174.336 174.900 0.248 0.000 1.126 207 G CA -0.455 44.751 45.100 0.176 0.000 0.896 207 G HN 0.297 nan 8.290 nan 0.000 0.436 208 V N 2.730 122.773 119.914 0.214 0.000 2.348 208 V HA 0.488 4.609 4.120 0.001 0.000 0.270 208 V C 0.810 176.954 176.094 0.083 0.000 1.037 208 V CA -0.728 61.662 62.300 0.150 0.000 0.872 208 V CB 0.831 32.730 31.823 0.127 0.000 1.002 208 V HN 0.944 nan 8.190 nan 0.000 0.464 209 A N 7.329 130.176 122.820 0.045 0.000 2.354 209 A HA 0.713 5.034 4.320 0.001 0.000 0.281 209 A C -0.396 177.193 177.584 0.009 0.000 1.174 209 A CA -0.208 51.849 52.037 0.033 0.000 0.828 209 A CB 0.016 19.032 19.000 0.026 0.000 1.099 209 A HN 0.821 nan 8.150 nan 0.000 0.516 210 L N 4.978 126.217 121.223 0.027 0.000 2.345 210 L HA 0.339 4.679 4.340 0.001 0.000 0.274 210 L C -2.519 174.358 176.870 0.013 0.000 0.999 210 L CA -2.002 52.841 54.840 0.006 0.000 0.849 210 L CB 2.000 44.078 42.059 0.031 0.000 1.220 210 L HN 0.431 nan 8.230 nan 0.000 0.422 211 P HA 0.018 nan 4.420 nan 0.000 0.269 211 P C 0.725 178.071 177.300 0.077 0.000 1.215 211 P CA -0.166 62.972 63.100 0.063 0.000 0.780 211 P CB 0.487 32.209 31.700 0.036 0.000 0.898 212 H N 1.562 120.675 119.070 0.071 0.000 2.431 212 H HA -0.219 4.337 4.556 0.001 0.000 0.297 212 H C 2.034 177.344 175.328 -0.031 0.000 1.115 212 H CA 1.582 57.682 56.048 0.087 0.000 1.277 212 H CB 0.176 30.073 29.762 0.225 0.000 1.372 212 H HN 0.438 nan 8.280 nan 0.000 0.516 213 R N 1.088 121.623 120.500 0.058 0.000 2.117 213 R HA -0.148 4.192 4.340 0.001 0.000 0.243 213 R C 2.487 178.667 176.300 -0.200 0.000 1.143 213 R CA 2.023 58.078 56.100 -0.075 0.000 0.968 213 R CB -0.278 29.975 30.300 -0.078 0.000 0.863 213 R HN 0.423 nan 8.270 nan 0.000 0.444 214 T N -1.943 112.493 114.554 -0.197 0.000 2.821 214 T HA 0.004 4.354 4.350 0.001 0.000 0.267 214 T C 1.989 176.438 174.700 -0.418 0.000 1.046 214 T CA 1.074 63.002 62.100 -0.285 0.000 1.139 214 T CB -0.242 68.470 68.868 -0.261 0.000 0.871 214 T HN 0.332 nan 8.240 nan 0.000 0.454 215 A N 0.702 123.290 122.820 -0.387 0.000 1.902 215 A HA 0.001 4.322 4.320 0.001 0.000 0.217 215 A C 2.791 179.707 177.584 -1.114 0.000 1.181 215 A CA 1.484 53.181 52.037 -0.566 0.000 0.623 215 A CB -1.405 17.414 19.000 -0.302 0.000 0.818 215 A HN 0.743 nan 8.150 nan 0.000 0.443 216 C N -1.166 117.702 119.300 -0.720 0.000 2.425 216 C HA -0.035 4.425 4.460 0.001 0.000 0.277 216 C C 2.682 177.387 174.990 -0.475 0.000 1.280 216 C CA 0.920 59.612 59.018 -0.543 0.000 1.744 216 C CB -1.284 26.330 27.740 -0.211 0.000 1.989 216 C HN 0.449 nan 8.230 nan 0.000 0.491 217 V N 1.298 120.887 119.914 -0.541 0.000 2.379 217 V HA -0.152 3.969 4.120 0.001 0.000 0.245 217 V C 2.722 178.423 176.094 -0.656 0.000 1.044 217 V CA 1.998 63.874 62.300 -0.706 0.000 1.036 217 V CB -0.696 30.700 31.823 -0.712 0.000 0.664 217 V HN 0.396 nan 8.190 nan 0.000 0.453 218 R N 0.483 120.670 120.500 -0.521 0.000 2.105 218 R HA -0.149 4.192 4.340 0.001 0.000 0.239 218 R C 1.886 178.170 176.300 -0.027 0.000 1.135 218 R CA 1.831 57.758 56.100 -0.288 0.000 0.967 218 R CB -0.758 29.409 30.300 -0.220 0.000 0.861 218 R HN 0.401 nan 8.270 nan 0.000 0.442 219 F N -0.023 119.868 119.950 -0.098 0.000 2.293 219 F HA -0.003 4.524 4.527 0.001 0.000 0.300 219 F C 2.587 178.356 175.800 -0.052 0.000 1.086 219 F CA 1.136 59.100 58.000 -0.059 0.000 1.375 219 F CB -1.289 37.687 39.000 -0.041 0.000 1.045 219 F HN 0.155 nan 8.300 nan 0.000 0.516 220 S N -0.706 115.058 115.700 0.106 0.000 2.345 220 S HA -0.173 4.297 4.470 0.001 0.000 0.219 220 S C 1.939 176.709 174.600 0.282 0.000 1.031 220 S CA 1.325 59.641 58.200 0.193 0.000 0.984 220 S CB -0.547 62.803 63.200 0.251 0.000 0.874 220 S HN 0.525 nan 8.310 nan 0.000 0.451 221 H N 0.781 119.988 119.070 0.228 0.000 2.319 221 H HA -0.029 4.527 4.556 0.001 0.000 0.299 221 H C 2.547 178.000 175.328 0.209 0.000 1.092 221 H CA 0.981 57.161 56.048 0.220 0.000 1.302 221 H CB -0.309 29.543 29.762 0.149 0.000 1.373 221 H HN 0.554 nan 8.280 nan 0.000 0.497 222 A N 1.604 124.596 122.820 0.287 0.000 1.997 222 A HA -0.225 4.095 4.320 0.001 0.000 0.221 222 A C 2.053 179.744 177.584 0.180 0.000 1.172 222 A CA 1.984 54.142 52.037 0.202 0.000 0.645 222 A CB -0.370 18.702 19.000 0.121 0.000 0.813 222 A HN 0.580 nan 8.150 nan 0.000 0.454 223 R N -0.773 119.801 120.500 0.123 0.000 2.546 223 R HA 0.213 4.553 4.340 0.001 0.000 0.320 223 R C -0.595 175.886 176.300 0.302 0.000 1.021 223 R CA -0.188 55.966 56.100 0.090 0.000 1.088 223 R CB -0.168 29.952 30.300 -0.301 0.000 1.278 223 R HN 0.306 nan 8.270 nan 0.000 0.557 224 D N 2.544 123.151 120.400 0.345 0.000 2.348 224 D HA 0.097 4.738 4.640 0.001 0.000 0.253 224 D C -1.664 174.751 176.300 0.191 0.000 1.161 224 D CA -2.006 52.221 54.000 0.378 0.000 0.876 224 D CB 1.918 42.990 40.800 0.453 0.000 1.160 224 D HN -0.070 nan 8.370 nan 0.000 0.459 225 P HA -0.083 nan 4.420 nan 0.000 0.222 225 P C 1.200 178.458 177.300 -0.069 0.000 1.147 225 P CA 0.624 63.663 63.100 -0.101 0.000 0.790 225 P CB 0.449 31.946 31.700 -0.338 0.000 0.780 226 I N -3.002 117.541 120.570 -0.044 0.000 2.729 226 I HA 0.046 4.216 4.170 0.001 0.000 0.256 226 I C 1.573 177.467 176.117 -0.372 0.000 1.115 226 I CA 1.126 62.289 61.300 -0.229 0.000 1.446 226 I CB -1.215 36.601 38.000 -0.306 0.000 1.176 226 I HN -0.106 nan 8.210 nan 0.000 0.446 227 F N 0.744 120.714 119.950 0.035 0.000 2.727 227 F HA 0.414 4.941 4.527 0.001 0.000 0.302 227 F C 1.364 177.199 175.800 0.059 0.000 1.097 227 F CA 0.081 58.087 58.000 0.011 0.000 1.330 227 F CB 0.220 39.190 39.000 -0.050 0.000 1.084 227 F HN 0.023 nan 8.300 nan 0.000 0.578 228 G N -0.368 108.562 108.800 0.217 0.000 3.100 228 G HA2 0.312 4.272 3.960 0.001 0.000 0.174 228 G HA3 0.312 4.272 3.960 0.001 0.000 0.174 228 G C -1.390 173.621 174.900 0.185 0.000 1.136 228 G CA -0.841 44.391 45.100 0.221 0.000 0.881 228 G HN 0.050 nan 8.290 nan 0.000 0.616 229 N N 0.543 119.390 118.700 0.244 0.000 2.372 229 N HA 0.465 5.206 4.740 0.001 0.000 0.291 229 N C -0.665 174.995 175.510 0.251 0.000 1.024 229 N CA -0.501 52.689 53.050 0.233 0.000 0.873 229 N CB 2.354 41.036 38.487 0.325 0.000 1.206 229 N HN 0.465 nan 8.380 nan 0.000 0.486 230 Q N 2.222 122.117 119.800 0.159 0.000 2.300 230 Q HA 0.146 4.487 4.340 0.001 0.000 0.280 230 Q C -0.719 175.447 176.000 0.277 0.000 1.033 230 Q CA 0.196 56.096 55.803 0.162 0.000 0.903 230 Q CB 0.365 29.138 28.738 0.058 0.000 1.195 230 Q HN 0.523 nan 8.270 nan 0.000 0.386 231 I N 6.009 126.769 120.570 0.318 0.000 2.574 231 I HA 0.040 4.211 4.170 0.001 0.000 0.291 231 I C -0.330 175.953 176.117 0.276 0.000 1.131 231 I CA 0.196 61.718 61.300 0.369 0.000 1.352 231 I CB -0.249 37.861 38.000 0.183 0.000 1.431 231 I HN 0.561 nan 8.210 nan 0.000 0.543 232 I N 8.659 129.380 120.570 0.251 0.000 2.493 232 I HA 0.396 4.567 4.170 0.001 0.000 0.298 232 I C -2.158 174.020 176.117 0.103 0.000 0.998 232 I CA -2.064 59.305 61.300 0.116 0.000 1.137 232 I CB 1.487 39.501 38.000 0.023 0.000 1.310 232 I HN 0.262 nan 8.210 nan 0.000 0.445 233 P HA 0.065 nan 4.420 nan 0.000 0.266 233 P C -0.532 176.765 177.300 -0.004 0.000 1.195 233 P CA 0.368 63.494 63.100 0.044 0.000 0.768 233 P CB 0.291 32.011 31.700 0.034 0.000 0.838 234 D N -0.867 119.524 120.400 -0.014 0.000 2.981 234 D HA -0.123 4.517 4.640 0.001 0.000 0.223 234 D C -0.505 175.717 176.300 -0.129 0.000 1.151 234 D CA 1.079 55.048 54.000 -0.051 0.000 0.827 234 D CB -1.697 39.080 40.800 -0.038 0.000 1.101 234 D HN 0.335 nan 8.370 nan 0.000 0.426 235 T N 0.596 115.022 114.554 -0.213 0.000 2.851 235 T HA 0.492 4.842 4.350 0.001 0.000 0.298 235 T C 0.425 174.846 174.700 -0.465 0.000 0.977 235 T CA 0.333 62.140 62.100 -0.489 0.000 1.126 235 T CB 1.530 69.728 68.868 -1.116 0.000 0.916 235 T HN 0.312 nan 8.240 nan 0.000 0.529 236 A N 3.675 126.247 122.820 -0.412 0.000 2.371 236 A HA 0.785 5.105 4.320 0.001 0.000 0.311 236 A C -0.915 176.424 177.584 -0.408 0.000 1.068 236 A CA -0.717 51.108 52.037 -0.353 0.000 0.744 236 A CB 0.697 19.568 19.000 -0.216 0.000 1.239 236 A HN 0.712 nan 8.150 nan 0.000 0.435 237 I N 1.730 122.029 120.570 -0.452 0.000 2.474 237 I HA 0.402 4.572 4.170 0.001 0.000 0.294 237 I C -0.660 175.270 176.117 -0.311 0.000 1.005 237 I CA -0.467 60.571 61.300 -0.437 0.000 1.113 237 I CB 1.940 39.512 38.000 -0.713 0.000 1.289 237 I HN 0.543 nan 8.210 nan 0.000 0.436 238 L N 5.649 126.723 121.223 -0.249 0.000 2.265 238 L HA 0.585 4.926 4.340 0.001 0.000 0.289 238 L C -0.139 176.671 176.870 -0.100 0.000 1.033 238 L CA 0.339 55.047 54.840 -0.220 0.000 0.814 238 L CB 1.038 42.887 42.059 -0.350 0.000 1.203 238 L HN 0.600 nan 8.230 nan 0.000 0.423 239 S N 3.733 119.410 115.700 -0.038 0.000 2.474 239 S HA 0.500 4.970 4.470 0.001 0.000 0.321 239 S C 0.504 175.112 174.600 0.013 0.000 1.080 239 S CA -0.679 57.535 58.200 0.024 0.000 1.106 239 S CB 1.021 64.308 63.200 0.144 0.000 0.984 239 S HN 0.484 nan 8.310 nan 0.000 0.464 240 V N 4.923 124.859 119.914 0.037 0.000 3.661 240 V HA 0.149 4.269 4.120 0.001 0.000 0.271 240 V C 0.869 176.928 176.094 -0.057 0.000 1.315 240 V CA 0.288 62.618 62.300 0.051 0.000 1.072 240 V CB -0.124 31.822 31.823 0.204 0.000 0.830 240 V HN 0.836 nan 8.190 nan 0.000 0.443 241 V N -1.021 118.834 119.914 -0.099 0.000 2.811 241 V HA 0.406 4.527 4.120 0.001 0.000 0.302 241 V C -2.465 173.502 176.094 -0.213 0.000 1.063 241 V CA -2.251 59.979 62.300 -0.117 0.000 1.088 241 V CB 0.140 31.880 31.823 -0.138 0.000 0.982 241 V HN 0.170 nan 8.190 nan 0.000 0.485 242 P HA 0.151 nan 4.420 nan 0.000 0.267 242 P C 0.067 177.138 177.300 -0.381 0.000 1.209 242 P CA 0.098 62.916 63.100 -0.471 0.000 0.763 242 P CB 0.114 31.396 31.700 -0.698 0.000 0.816 243 F N 1.744 121.365 119.950 -0.548 0.000 2.365 243 F HA -0.109 4.418 4.527 0.001 0.000 0.300 243 F C 2.051 177.570 175.800 -0.469 0.000 1.090 243 F CA 1.347 58.996 58.000 -0.586 0.000 1.408 243 F CB -1.479 36.757 39.000 -1.274 0.000 1.060 243 F HN 0.538 nan 8.300 nan 0.000 0.534 244 H N -3.194 115.857 119.070 -0.032 0.000 2.547 244 H HA 0.086 4.642 4.556 0.001 0.000 0.266 244 H C 0.738 176.152 175.328 0.143 0.000 0.988 244 H CA 0.341 56.477 56.048 0.148 0.000 1.147 244 H CB -0.688 29.170 29.762 0.160 0.000 1.365 244 H HN 0.227 nan 8.280 nan 0.000 0.589 245 H N -0.032 118.961 119.070 -0.129 0.000 2.616 245 H HA 0.312 4.868 4.556 0.001 0.000 0.353 245 H C 1.094 176.486 175.328 0.107 0.000 1.170 245 H CA -0.113 55.958 56.048 0.038 0.000 1.212 245 H CB 2.016 31.755 29.762 -0.037 0.000 1.653 245 H HN 0.315 nan 8.280 nan 0.000 0.537 246 G N 2.527 111.045 108.800 -0.469 0.000 2.469 246 G HA2 -0.316 3.644 3.960 0.001 0.000 0.220 246 G HA3 -0.316 3.644 3.960 0.001 0.000 0.220 246 G C 1.154 176.195 174.900 0.235 0.000 1.136 246 G CA 0.509 45.598 45.100 -0.018 0.000 0.759 246 G HN 0.566 nan 8.290 nan 0.000 0.562 247 F N 2.493 122.483 119.950 0.067 0.000 2.075 247 F HA 0.043 4.570 4.527 0.001 0.000 0.297 247 F C 2.565 178.465 175.800 0.166 0.000 1.113 247 F CA 1.317 59.427 58.000 0.183 0.000 1.218 247 F CB -0.897 38.264 39.000 0.268 0.000 0.984 247 F HN 0.121 nan 8.300 nan 0.000 0.472 248 G N 0.057 108.956 108.800 0.165 0.000 2.402 248 G HA2 -0.290 3.671 3.960 0.001 0.000 0.216 248 G HA3 -0.290 3.671 3.960 0.001 0.000 0.216 248 G C 1.599 176.562 174.900 0.106 0.000 1.162 248 G CA 1.008 46.167 45.100 0.099 0.000 0.777 248 G HN 0.392 nan 8.290 nan 0.000 0.539 249 M N 0.319 119.950 119.600 0.052 0.000 2.059 249 M HA 0.120 4.600 4.480 0.001 0.000 0.259 249 M C 2.006 178.125 176.300 -0.303 0.000 1.072 249 M CA 1.471 56.703 55.300 -0.115 0.000 1.117 249 M CB -0.687 31.673 32.600 -0.400 0.000 1.320 249 M HN 0.134 nan 8.290 nan 0.000 0.408 250 F N -0.228 119.763 119.950 0.068 0.000 2.558 250 F HA 0.027 4.555 4.527 0.001 0.000 0.298 250 F C 2.406 178.161 175.800 -0.076 0.000 1.119 250 F CA 1.387 59.403 58.000 0.027 0.000 1.451 250 F CB -1.443 37.575 39.000 0.031 0.000 1.091 250 F HN 0.370 nan 8.300 nan 0.000 0.563 251 T N -3.698 110.828 114.554 -0.046 0.000 2.812 251 T HA -0.131 4.220 4.350 0.001 0.000 0.264 251 T C 1.987 176.135 174.700 -0.921 0.000 1.042 251 T CA 1.726 63.560 62.100 -0.444 0.000 1.140 251 T CB -0.977 67.666 68.868 -0.374 0.000 0.870 251 T HN 0.138 nan 8.240 nan 0.000 0.445 252 T N 2.737 116.940 114.554 -0.584 0.000 2.708 252 T HA 0.082 4.432 4.350 0.001 0.000 0.266 252 T C 1.953 176.308 174.700 -0.575 0.000 1.037 252 T CA 1.247 62.971 62.100 -0.627 0.000 1.146 252 T CB -0.607 67.689 68.868 -0.954 0.000 0.865 252 T HN 0.261 nan 8.240 nan 0.000 0.435 253 L N 0.719 121.710 121.223 -0.386 0.000 2.042 253 L HA -0.085 4.255 4.340 0.001 0.000 0.210 253 L C 3.032 179.794 176.870 -0.180 0.000 1.076 253 L CA 1.525 56.278 54.840 -0.145 0.000 0.749 253 L CB -1.108 41.081 42.059 0.216 0.000 0.893 253 L HN 0.385 nan 8.230 nan 0.000 0.432 254 G N -1.097 107.634 108.800 -0.116 0.000 2.422 254 G HA2 -0.275 3.685 3.960 0.001 0.000 0.218 254 G HA3 -0.275 3.685 3.960 0.001 0.000 0.218 254 G C 1.273 176.023 174.900 -0.250 0.000 1.146 254 G CA 0.464 45.477 45.100 -0.144 0.000 0.769 254 G HN 0.239 nan 8.290 nan 0.000 0.547 255 Y N 0.688 120.863 120.300 -0.208 0.000 2.224 255 Y HA 0.073 4.624 4.550 0.001 0.000 0.289 255 Y C 2.743 178.413 175.900 -0.384 0.000 1.146 255 Y CA 0.095 58.030 58.100 -0.275 0.000 1.182 255 Y CB -0.700 37.655 38.460 -0.176 0.000 0.983 255 Y HN 0.097 nan 8.280 nan 0.000 0.524 256 L N -0.926 120.182 121.223 -0.192 0.000 2.141 256 L HA -0.200 4.140 4.340 0.001 0.000 0.209 256 L C 2.139 178.951 176.870 -0.096 0.000 1.094 256 L CA 0.702 55.481 54.840 -0.101 0.000 0.763 256 L CB -0.480 41.506 42.059 -0.120 0.000 0.908 256 L HN 0.180 nan 8.230 nan 0.000 0.437 257 I N -0.472 119.931 120.570 -0.278 0.000 2.394 257 I HA -0.264 3.907 4.170 0.001 0.000 0.251 257 I C 2.234 178.213 176.117 -0.229 0.000 1.136 257 I CA 1.259 62.387 61.300 -0.287 0.000 1.425 257 I CB -0.917 36.771 38.000 -0.520 0.000 1.079 257 I HN 0.411 nan 8.210 nan 0.000 0.425 258 C N 0.453 119.467 119.300 -0.476 0.000 2.594 258 C HA 0.322 4.782 4.460 0.001 0.000 0.265 258 C C 1.876 176.331 174.990 -0.893 0.000 1.351 258 C CA 0.473 59.025 59.018 -0.776 0.000 1.744 258 C CB -0.813 25.989 27.740 -1.563 0.000 1.890 258 C HN 0.751 nan 8.230 nan 0.000 0.551 259 G N 0.387 108.595 108.800 -0.985 0.000 2.143 259 G HA2 -0.236 3.725 3.960 0.001 0.000 0.248 259 G HA3 -0.236 3.725 3.960 0.001 0.000 0.248 259 G C -0.063 174.534 174.900 -0.505 0.000 0.991 259 G CA -0.257 43.930 45.100 -1.523 0.000 0.689 259 G HN 0.332 nan 8.290 nan 0.000 0.522 260 F N 0.176 119.944 119.950 -0.303 0.000 2.440 260 F HA 0.520 5.047 4.527 0.001 0.000 0.323 260 F C 1.286 176.938 175.800 -0.247 0.000 1.192 260 F CA -1.409 56.435 58.000 -0.261 0.000 1.252 260 F CB 0.529 39.340 39.000 -0.316 0.000 1.214 260 F HN 0.113 nan 8.300 nan 0.000 0.578 261 R N 1.225 121.675 120.500 -0.083 0.000 2.202 261 R HA 0.490 4.831 4.340 0.001 0.000 0.334 261 R C -1.726 174.372 176.300 -0.337 0.000 1.036 261 R CA -0.292 55.683 56.100 -0.207 0.000 0.878 261 R CB 0.515 30.718 30.300 -0.162 0.000 1.067 261 R HN 0.442 nan 8.270 nan 0.000 0.457 262 V N 6.286 125.927 119.914 -0.454 0.000 2.320 262 V HA 0.161 4.281 4.120 0.001 0.000 0.265 262 V C 0.027 175.986 176.094 -0.224 0.000 1.048 262 V CA -0.683 61.370 62.300 -0.413 0.000 0.865 262 V CB 1.236 32.690 31.823 -0.614 0.000 1.043 262 V HN 0.492 nan 8.190 nan 0.000 0.474 263 V N 7.202 126.971 119.914 -0.242 0.000 2.408 263 V HA 0.347 4.467 4.120 0.001 0.000 0.267 263 V C 0.028 176.059 176.094 -0.106 0.000 1.047 263 V CA -0.379 61.759 62.300 -0.270 0.000 0.937 263 V CB 0.946 32.469 31.823 -0.499 0.000 0.999 263 V HN 0.764 nan 8.190 nan 0.000 0.472 264 L N 3.698 124.927 121.223 0.010 0.000 2.331 264 L HA 0.866 5.206 4.340 0.001 0.000 0.275 264 L C -0.436 176.420 176.870 -0.023 0.000 1.022 264 L CA -0.472 54.410 54.840 0.069 0.000 0.812 264 L CB 1.506 43.718 42.059 0.255 0.000 1.257 264 L HN 0.478 nan 8.230 nan 0.000 0.435 265 M N 1.976 121.557 119.600 -0.031 0.000 2.395 265 M HA 0.354 4.834 4.480 0.001 0.000 0.307 265 M C -0.746 175.597 176.300 0.071 0.000 1.091 265 M CA -0.488 54.813 55.300 0.002 0.000 0.919 265 M CB 2.263 34.853 32.600 -0.016 0.000 1.662 265 M HN 0.836 nan 8.290 nan 0.000 0.440 266 Y N -0.384 120.057 120.300 0.234 0.000 2.458 266 Y HA 0.488 5.038 4.550 0.001 0.000 0.254 266 Y C -0.037 175.847 175.900 -0.027 0.000 1.120 266 Y CA -0.576 57.498 58.100 -0.043 0.000 1.282 266 Y CB 0.338 38.710 38.460 -0.146 0.000 1.109 266 Y HN 0.387 nan 8.280 nan 0.000 0.526 267 R N 0.831 121.341 120.500 0.017 0.000 2.483 267 R HA 0.253 4.593 4.340 0.001 0.000 0.303 267 R C -1.778 174.600 176.300 0.129 0.000 0.987 267 R CA -0.886 55.259 56.100 0.074 0.000 0.881 267 R CB 1.554 31.853 30.300 -0.002 0.000 1.177 267 R HN 0.131 nan 8.270 nan 0.000 0.451 268 F N 3.038 122.973 119.950 -0.024 0.000 2.538 268 F HA 0.107 4.635 4.527 0.001 0.000 0.371 268 F C -0.154 175.586 175.800 -0.099 0.000 1.087 268 F CA 0.580 58.529 58.000 -0.084 0.000 1.250 268 F CB 0.623 39.491 39.000 -0.219 0.000 1.110 268 F HN 0.431 nan 8.300 nan 0.000 0.570 269 E N 4.618 124.200 120.200 -1.030 0.000 2.308 269 E HA 0.066 4.416 4.350 0.001 0.000 0.275 269 E C 0.153 176.134 176.600 -1.032 0.000 0.890 269 E CA -0.622 55.291 56.400 -0.811 0.000 0.754 269 E CB 2.040 31.549 29.700 -0.320 0.000 1.207 269 E HN 0.770 nan 8.360 nan 0.000 0.426 270 E N 2.292 122.057 120.200 -0.724 0.000 2.038 270 E HA -0.247 4.103 4.350 0.001 0.000 0.195 270 E C 0.999 177.601 176.600 0.002 0.000 1.000 270 E CA 1.695 57.945 56.400 -0.250 0.000 0.803 270 E CB 0.279 30.073 29.700 0.157 0.000 0.750 270 E HN 0.526 nan 8.360 nan 0.000 0.448 271 E N 0.168 120.366 120.200 -0.004 0.000 2.047 271 E HA -0.192 4.158 4.350 0.001 0.000 0.191 271 E C 2.177 178.759 176.600 -0.029 0.000 0.987 271 E CA 0.883 57.314 56.400 0.052 0.000 0.799 271 E CB -0.129 29.627 29.700 0.092 0.000 0.752 271 E HN 0.191 nan 8.360 nan 0.000 0.449 272 L N 0.556 121.732 121.223 -0.080 0.000 2.042 272 L HA -0.169 4.171 4.340 0.001 0.000 0.210 272 L C 2.041 178.844 176.870 -0.112 0.000 1.076 272 L CA 1.574 56.345 54.840 -0.115 0.000 0.749 272 L CB -0.525 41.428 42.059 -0.177 0.000 0.893 272 L HN 0.084 nan 8.230 nan 0.000 0.432 273 F N -0.433 119.377 119.950 -0.233 0.000 2.075 273 F HA -0.226 4.302 4.527 0.001 0.000 0.297 273 F C 2.087 177.798 175.800 -0.149 0.000 1.113 273 F CA 2.015 59.936 58.000 -0.132 0.000 1.218 273 F CB -0.261 38.759 39.000 0.034 0.000 0.984 273 F HN 0.041 nan 8.300 nan 0.000 0.472 274 L N -0.119 121.096 121.223 -0.014 0.000 2.093 274 L HA -0.158 4.183 4.340 0.001 0.000 0.208 274 L C 2.637 179.088 176.870 -0.698 0.000 1.085 274 L CA 1.403 55.978 54.840 -0.442 0.000 0.755 274 L CB -0.714 40.877 42.059 -0.778 0.000 0.904 274 L HN 0.085 nan 8.230 nan 0.000 0.435 275 R N -0.200 119.998 120.500 -0.502 0.000 2.096 275 R HA -0.133 4.208 4.340 0.001 0.000 0.235 275 R C 2.402 178.594 176.300 -0.180 0.000 1.127 275 R CA 1.527 57.535 56.100 -0.152 0.000 0.968 275 R CB -0.020 30.295 30.300 0.026 0.000 0.861 275 R HN 0.244 nan 8.270 nan 0.000 0.440 276 S N 0.940 116.519 115.700 -0.203 0.000 2.356 276 S HA -0.096 4.374 4.470 0.001 0.000 0.223 276 S C 1.858 176.389 174.600 -0.115 0.000 1.032 276 S CA 1.048 59.192 58.200 -0.094 0.000 1.005 276 S CB -0.180 62.989 63.200 -0.052 0.000 0.867 276 S HN 0.285 nan 8.310 nan 0.000 0.449 277 L N 1.354 122.400 121.223 -0.295 0.000 2.043 277 L HA -0.237 4.104 4.340 0.001 0.000 0.212 277 L C 2.863 179.656 176.870 -0.128 0.000 1.075 277 L CA 1.688 56.375 54.840 -0.256 0.000 0.752 277 L CB -0.538 41.343 42.059 -0.297 0.000 0.891 277 L HN 0.460 nan 8.230 nan 0.000 0.432 278 Q N 0.007 119.744 119.800 -0.106 0.000 1.994 278 Q HA -0.199 4.141 4.340 0.001 0.000 0.198 278 Q C 1.710 177.657 176.000 -0.087 0.000 0.976 278 Q CA 1.769 57.551 55.803 -0.033 0.000 0.828 278 Q CB 0.083 28.873 28.738 0.087 0.000 0.894 278 Q HN 0.371 nan 8.270 nan 0.000 0.432 279 D N -0.273 120.019 120.400 -0.181 0.000 2.117 279 D HA -0.134 4.506 4.640 0.001 0.000 0.198 279 D C 1.269 177.360 176.300 -0.349 0.000 0.982 279 D CA 1.116 54.928 54.000 -0.312 0.000 0.828 279 D CB -0.188 40.321 40.800 -0.485 0.000 0.967 279 D HN 0.382 nan 8.370 nan 0.000 0.464 280 Y N 0.508 120.747 120.300 -0.102 0.000 2.529 280 Y HA 0.151 4.701 4.550 0.001 0.000 0.290 280 Y C 0.398 176.225 175.900 -0.120 0.000 1.177 280 Y CA -0.119 57.913 58.100 -0.113 0.000 1.305 280 Y CB -0.339 38.035 38.460 -0.143 0.000 1.047 280 Y HN -0.179 nan 8.280 nan 0.000 0.522 281 K N 0.226 120.619 120.400 -0.011 0.000 3.156 281 K HA -0.192 4.128 4.320 0.001 0.000 0.266 281 K C -0.703 175.855 176.600 -0.069 0.000 0.966 281 K CA 0.061 56.324 56.287 -0.040 0.000 0.719 281 K CB -1.553 30.924 32.500 -0.037 0.000 1.333 281 K HN 0.174 nan 8.250 nan 0.000 0.468 282 I N 1.612 122.131 120.570 -0.086 0.000 2.683 282 I HA -0.088 4.083 4.170 0.001 0.000 0.286 282 I C 1.681 177.706 176.117 -0.154 0.000 1.175 282 I CA 0.683 61.895 61.300 -0.148 0.000 1.429 282 I CB 1.066 38.953 38.000 -0.189 0.000 1.371 282 I HN 0.283 nan 8.210 nan 0.000 0.569 283 Q N 3.167 122.852 119.800 -0.193 0.000 2.339 283 Q HA 0.083 4.423 4.340 0.001 0.000 0.205 283 Q C 0.447 176.347 176.000 -0.168 0.000 0.925 283 Q CA 0.544 56.242 55.803 -0.176 0.000 0.898 283 Q CB 0.395 28.999 28.738 -0.224 0.000 1.013 283 Q HN 0.659 nan 8.270 nan 0.000 0.504 284 S N -0.580 115.000 115.700 -0.199 0.000 2.619 284 S HA 0.789 5.259 4.470 0.001 0.000 0.280 284 S C -1.695 172.817 174.600 -0.147 0.000 1.150 284 S CA -0.601 57.508 58.200 -0.152 0.000 0.978 284 S CB 1.050 64.159 63.200 -0.151 0.000 1.041 284 S HN 0.168 nan 8.310 nan 0.000 0.485 285 A N 4.891 127.651 122.820 -0.099 0.000 2.350 285 A HA 0.834 5.155 4.320 0.001 0.000 0.324 285 A C -1.087 176.526 177.584 0.048 0.000 1.118 285 A CA -0.695 51.307 52.037 -0.059 0.000 0.783 285 A CB 0.880 19.835 19.000 -0.075 0.000 1.236 285 A HN 0.820 nan 8.150 nan 0.000 0.457 286 L N 2.732 124.000 121.223 0.076 0.000 2.313 286 L HA 0.617 4.957 4.340 0.001 0.000 0.283 286 L C -0.894 176.053 176.870 0.128 0.000 1.013 286 L CA -0.314 54.600 54.840 0.123 0.000 0.816 286 L CB 1.225 43.185 42.059 -0.165 0.000 1.236 286 L HN 0.594 nan 8.230 nan 0.000 0.419 287 L N 3.310 124.670 121.223 0.228 0.000 2.371 287 L HA 0.608 4.948 4.340 0.001 0.000 0.262 287 L C -0.061 176.988 176.870 0.299 0.000 1.006 287 L CA -1.172 53.701 54.840 0.056 0.000 0.818 287 L CB 2.531 44.314 42.059 -0.459 0.000 1.354 287 L HN 0.362 nan 8.230 nan 0.000 0.415 288 V N -0.803 119.202 119.914 0.152 0.000 2.881 288 V HA 0.274 4.394 4.120 0.001 0.000 0.303 288 V C -1.944 174.300 176.094 0.251 0.000 1.070 288 V CA -1.034 61.377 62.300 0.185 0.000 1.074 288 V CB 0.588 32.440 31.823 0.049 0.000 1.012 288 V HN 0.623 nan 8.190 nan 0.000 0.482 289 P HA -0.161 nan 4.420 nan 0.000 0.217 289 P C 1.657 179.092 177.300 0.225 0.000 1.151 289 P CA 2.387 65.654 63.100 0.278 0.000 0.849 289 P CB -0.196 31.563 31.700 0.097 0.000 0.787 290 T N -3.954 110.656 114.554 0.093 0.000 3.072 290 T HA 0.014 4.365 4.350 0.001 0.000 0.266 290 T C 1.625 176.309 174.700 -0.027 0.000 1.127 290 T CA 0.618 62.739 62.100 0.034 0.000 1.107 290 T CB -0.972 67.891 68.868 -0.010 0.000 0.910 290 T HN 0.068 nan 8.240 nan 0.000 0.513 291 L N -1.273 119.891 121.223 -0.098 0.000 2.341 291 L HA 0.265 4.605 4.340 0.001 0.000 0.214 291 L C 2.097 178.917 176.870 -0.084 0.000 1.115 291 L CA 0.417 55.074 54.840 -0.305 0.000 0.820 291 L CB -0.422 41.300 42.059 -0.562 0.000 0.944 291 L HN 0.155 nan 8.230 nan 0.000 0.452 292 F N 0.272 120.262 119.950 0.066 0.000 2.113 292 F HA -0.193 4.334 4.527 0.001 0.000 0.297 292 F C 2.740 178.611 175.800 0.120 0.000 1.103 292 F CA 1.618 59.702 58.000 0.140 0.000 1.248 292 F CB -0.465 38.587 39.000 0.087 0.000 0.999 292 F HN -0.042 nan 8.300 nan 0.000 0.475 293 S N 0.056 115.903 115.700 0.243 0.000 2.368 293 S HA -0.219 4.252 4.470 0.001 0.000 0.225 293 S C 1.860 176.485 174.600 0.041 0.000 1.030 293 S CA 1.232 59.506 58.200 0.123 0.000 0.999 293 S CB -0.849 62.398 63.200 0.079 0.000 0.844 293 S HN 0.393 nan 8.310 nan 0.000 0.459 294 F N 1.818 121.690 119.950 -0.131 0.000 2.069 294 F HA -0.149 4.379 4.527 0.001 0.000 0.298 294 F C 1.675 177.315 175.800 -0.266 0.000 1.113 294 F CA 1.408 59.242 58.000 -0.276 0.000 1.214 294 F CB -0.460 38.214 39.000 -0.543 0.000 0.978 294 F HN 0.119 nan 8.300 nan 0.000 0.474 295 F N 0.537 120.549 119.950 0.103 0.000 2.502 295 F HA 0.053 4.580 4.527 0.001 0.000 0.298 295 F C 2.450 178.247 175.800 -0.005 0.000 1.111 295 F CA 0.747 58.800 58.000 0.089 0.000 1.445 295 F CB -1.295 37.895 39.000 0.316 0.000 1.081 295 F HN 0.096 nan 8.300 nan 0.000 0.558 296 A N -0.210 122.690 122.820 0.134 0.000 2.067 296 A HA -0.165 4.156 4.320 0.001 0.000 0.219 296 A C 2.116 179.672 177.584 -0.047 0.000 1.158 296 A CA 1.343 53.422 52.037 0.070 0.000 0.661 296 A CB -0.462 18.583 19.000 0.076 0.000 0.801 296 A HN 0.356 nan 8.150 nan 0.000 0.452 297 K N -0.241 120.052 120.400 -0.178 0.000 2.356 297 K HA 0.122 4.443 4.320 0.001 0.000 0.195 297 K C 0.723 177.167 176.600 -0.260 0.000 1.037 297 K CA 0.229 56.371 56.287 -0.240 0.000 1.014 297 K CB 0.235 32.527 32.500 -0.346 0.000 0.815 297 K HN 0.272 nan 8.250 nan 0.000 0.507 298 S N 1.345 116.885 115.700 -0.266 0.000 2.533 298 S HA -0.002 4.468 4.470 0.001 0.000 0.282 298 S C 0.963 175.533 174.600 -0.049 0.000 1.304 298 S CA -0.140 57.980 58.200 -0.133 0.000 1.063 298 S CB 0.544 63.815 63.200 0.118 0.000 0.881 298 S HN 0.402 nan 8.310 nan 0.000 0.493 299 T N 3.135 117.677 114.554 -0.019 0.000 3.085 299 T HA 0.287 4.637 4.350 0.001 0.000 0.264 299 T C 1.244 175.968 174.700 0.040 0.000 1.019 299 T CA -0.199 61.899 62.100 -0.004 0.000 0.910 299 T CB -0.155 68.708 68.868 -0.009 0.000 1.059 299 T HN 0.544 nan 8.240 nan 0.000 0.542 300 L N 0.154 121.434 121.223 0.096 0.000 2.477 300 L HA 0.383 4.723 4.340 0.001 0.000 0.220 300 L C 2.165 179.180 176.870 0.242 0.000 1.106 300 L CA 0.201 55.148 54.840 0.178 0.000 0.851 300 L CB -0.309 41.914 42.059 0.275 0.000 0.994 300 L HN 0.239 nan 8.230 nan 0.000 0.462 301 I N 0.421 121.066 120.570 0.124 0.000 2.194 301 I HA -0.347 3.823 4.170 0.001 0.000 0.246 301 I C 1.621 177.830 176.117 0.154 0.000 1.093 301 I CA 1.405 62.736 61.300 0.052 0.000 1.355 301 I CB -0.245 37.536 38.000 -0.365 0.000 1.046 301 I HN 0.254 nan 8.210 nan 0.000 0.413 302 D N 0.664 121.125 120.400 0.102 0.000 2.371 302 D HA -0.095 4.545 4.640 0.001 0.000 0.221 302 D C 1.808 178.137 176.300 0.048 0.000 0.986 302 D CA 0.750 54.810 54.000 0.100 0.000 0.899 302 D CB -0.103 40.748 40.800 0.085 0.000 0.902 302 D HN 0.335 nan 8.370 nan 0.000 0.530 303 K N -0.492 119.919 120.400 0.018 0.000 2.486 303 K HA -0.006 4.314 4.320 0.001 0.000 0.194 303 K C -0.202 176.164 176.600 -0.390 0.000 1.033 303 K CA 0.352 56.514 56.287 -0.208 0.000 1.004 303 K CB 0.276 32.583 32.500 -0.323 0.000 0.798 303 K HN 0.203 nan 8.250 nan 0.000 0.495 304 Y N 0.098 120.406 120.300 0.014 0.000 2.468 304 Y HA 0.140 4.690 4.550 0.001 0.000 0.342 304 Y C -0.045 175.862 175.900 0.011 0.000 1.021 304 Y CA -1.866 56.241 58.100 0.011 0.000 1.079 304 Y CB 1.112 39.588 38.460 0.026 0.000 1.226 304 Y HN -0.150 nan 8.280 nan 0.000 0.460 305 D N 3.219 123.707 120.400 0.147 0.000 2.402 305 D HA 0.155 4.796 4.640 0.001 0.000 0.235 305 D C -0.409 175.947 176.300 0.092 0.000 1.226 305 D CA 0.297 54.346 54.000 0.081 0.000 0.918 305 D CB 0.192 41.012 40.800 0.033 0.000 1.043 305 D HN 0.580 nan 8.370 nan 0.000 0.506 306 L N 3.055 124.342 121.223 0.106 0.000 3.034 306 L HA 0.086 4.426 4.340 0.001 0.000 0.245 306 L C 1.890 178.798 176.870 0.064 0.000 1.295 306 L CA -0.253 54.643 54.840 0.093 0.000 1.068 306 L CB -0.032 42.127 42.059 0.166 0.000 1.426 306 L HN 0.279 nan 8.230 nan 0.000 0.531 307 S N -1.590 114.132 115.700 0.037 0.000 2.442 307 S HA -0.117 4.353 4.470 0.001 0.000 0.236 307 S C 1.396 175.999 174.600 0.004 0.000 1.007 307 S CA 0.820 59.032 58.200 0.020 0.000 0.965 307 S CB -0.160 63.043 63.200 0.006 0.000 0.773 307 S HN 0.549 nan 8.310 nan 0.000 0.504 308 N N 0.764 119.458 118.700 -0.009 0.000 2.392 308 N HA 0.165 4.906 4.740 0.001 0.000 0.177 308 N C 0.060 175.544 175.510 -0.044 0.000 1.066 308 N CA -0.001 53.029 53.050 -0.034 0.000 0.895 308 N CB -0.118 38.339 38.487 -0.051 0.000 0.988 308 N HN 0.354 nan 8.380 nan 0.000 0.457 309 L N 1.559 122.765 121.223 -0.028 0.000 2.477 309 L HA 0.050 4.390 4.340 0.001 0.000 0.272 309 L C 1.350 178.203 176.870 -0.028 0.000 1.157 309 L CA 0.763 55.577 54.840 -0.044 0.000 0.889 309 L CB -0.051 41.993 42.059 -0.025 0.000 1.158 309 L HN 0.255 nan 8.230 nan 0.000 0.473 310 H N 3.232 122.270 119.070 -0.053 0.000 2.855 310 H HA 0.416 4.972 4.556 0.001 0.000 0.259 310 H C 0.357 175.667 175.328 -0.031 0.000 0.972 310 H CA 0.437 56.465 56.048 -0.033 0.000 1.213 310 H CB 0.429 30.166 29.762 -0.043 0.000 1.451 310 H HN 0.707 nan 8.280 nan 0.000 0.484 311 E N 0.192 120.360 120.200 -0.054 0.000 2.321 311 E HA 0.551 4.901 4.350 0.001 0.000 0.278 311 E C -1.978 174.591 176.600 -0.053 0.000 0.902 311 E CA -0.607 55.774 56.400 -0.031 0.000 0.758 311 E CB 2.053 31.750 29.700 -0.004 0.000 1.213 311 E HN 0.413 nan 8.360 nan 0.000 0.426 312 I N 2.859 123.419 120.570 -0.017 0.000 2.436 312 I HA 0.637 4.807 4.170 0.001 0.000 0.289 312 I C -0.454 175.791 176.117 0.214 0.000 1.010 312 I CA -0.772 60.531 61.300 0.004 0.000 1.098 312 I CB 1.813 39.732 38.000 -0.136 0.000 1.266 312 I HN 0.590 nan 8.210 nan 0.000 0.434 313 A N 3.408 126.414 122.820 0.310 0.000 2.401 313 A HA 0.667 4.987 4.320 0.001 0.000 0.310 313 A C 0.273 178.203 177.584 0.577 0.000 1.075 313 A CA -0.426 51.848 52.037 0.394 0.000 0.746 313 A CB 1.592 20.812 19.000 0.366 0.000 1.277 313 A HN 0.751 nan 8.150 nan 0.000 0.425 314 S N 0.645 116.509 115.700 0.274 0.000 2.559 314 S HA 0.470 4.940 4.470 0.001 0.000 0.226 314 S C 1.293 175.501 174.600 -0.654 0.000 1.000 314 S CA 1.043 59.277 58.200 0.057 0.000 0.948 314 S CB -0.418 62.679 63.200 -0.171 0.000 0.870 314 S HN 2.675 nan 8.310 nan 0.000 0.497 315 G N 1.869 110.206 108.800 -0.771 0.000 2.565 315 G HA2 -0.243 3.718 3.960 0.001 0.000 0.295 315 G HA3 -0.243 3.718 3.960 0.001 0.000 0.295 315 G C 0.819 175.414 174.900 -0.508 0.000 1.165 315 G CA 0.060 44.520 45.100 -1.066 0.000 0.977 315 G HN 1.305 nan 8.290 nan 0.000 0.546 316 G N 0.875 109.389 108.800 -0.477 0.000 3.141 316 G HA2 0.604 4.564 3.960 0.001 0.000 0.218 316 G HA3 0.604 4.564 3.960 0.001 0.000 0.218 316 G C 0.557 175.290 174.900 -0.278 0.000 1.170 316 G CA 1.333 46.252 45.100 -0.301 0.000 0.769 316 G HN 1.781 nan 8.290 nan 0.000 0.546 317 A N 1.192 123.851 122.820 -0.268 0.000 2.252 317 A HA 0.711 5.032 4.320 0.001 0.000 0.309 317 A C -2.576 174.924 177.584 -0.140 0.000 1.285 317 A CA -1.347 50.588 52.037 -0.170 0.000 0.900 317 A CB 1.112 20.035 19.000 -0.127 0.000 1.157 317 A HN 0.087 nan 8.150 nan 0.000 0.536 318 P HA 0.457 nan 4.420 nan 0.000 0.274 318 P C -0.774 176.471 177.300 -0.091 0.000 1.231 318 P CA -0.048 63.026 63.100 -0.044 0.000 0.790 318 P CB 0.745 32.483 31.700 0.063 0.000 0.951 319 L N 0.525 121.669 121.223 -0.132 0.000 2.323 319 L HA 0.514 4.854 4.340 0.001 0.000 0.265 319 L C 0.439 177.262 176.870 -0.079 0.000 1.012 319 L CA -1.001 53.744 54.840 -0.158 0.000 0.820 319 L CB 1.852 43.708 42.059 -0.338 0.000 1.334 319 L HN 0.322 nan 8.230 nan 0.000 0.427 320 S N -0.216 115.457 115.700 -0.046 0.000 2.576 320 S HA 0.248 4.719 4.470 0.001 0.000 0.276 320 S C 1.029 175.623 174.600 -0.010 0.000 1.339 320 S CA 0.027 58.223 58.200 -0.007 0.000 1.039 320 S CB 1.430 64.636 63.200 0.010 0.000 0.902 320 S HN 0.725 nan 8.310 nan 0.000 0.516 321 K N 1.511 121.921 120.400 0.016 0.000 2.074 321 K HA -0.088 4.232 4.320 0.001 0.000 0.209 321 K C 2.507 179.118 176.600 0.019 0.000 1.048 321 K CA 2.436 58.736 56.287 0.021 0.000 0.926 321 K CB -2.205 30.322 32.500 0.045 0.000 0.713 321 K HN 0.996 nan 8.250 nan 0.000 0.444 322 E N 0.351 120.565 120.200 0.023 0.000 2.031 322 E HA -0.056 4.294 4.350 0.001 0.000 0.193 322 E C 2.379 178.999 176.600 0.034 0.000 0.994 322 E CA 1.580 57.996 56.400 0.027 0.000 0.800 322 E CB -0.998 28.717 29.700 0.025 0.000 0.752 322 E HN 0.386 nan 8.360 nan 0.000 0.447 323 V N 1.005 120.937 119.914 0.031 0.000 2.358 323 V HA -0.078 4.043 4.120 0.001 0.000 0.246 323 V C 2.842 178.978 176.094 0.070 0.000 1.047 323 V CA 1.793 64.127 62.300 0.057 0.000 1.035 323 V CB -0.869 30.987 31.823 0.055 0.000 0.658 323 V HN 0.632 nan 8.190 nan 0.000 0.452 324 G N -0.564 108.238 108.800 0.003 0.000 2.418 324 G HA2 -0.225 3.735 3.960 0.001 0.000 0.217 324 G HA3 -0.225 3.735 3.960 0.001 0.000 0.217 324 G C 1.484 176.421 174.900 0.061 0.000 1.158 324 G CA 0.816 45.913 45.100 -0.006 0.000 0.771 324 G HN 0.565 nan 8.290 nan 0.000 0.545 325 E N 0.404 120.633 120.200 0.048 0.000 2.107 325 E HA 0.041 4.391 4.350 0.001 0.000 0.191 325 E C 2.920 179.562 176.600 0.070 0.000 0.982 325 E CA 0.573 57.006 56.400 0.054 0.000 0.809 325 E CB -0.121 29.602 29.700 0.039 0.000 0.756 325 E HN 0.406 nan 8.360 nan 0.000 0.459 326 A N 0.917 123.783 122.820 0.077 0.000 1.902 326 A HA -0.146 4.174 4.320 0.001 0.000 0.217 326 A C 2.468 180.124 177.584 0.120 0.000 1.181 326 A CA 1.203 53.287 52.037 0.078 0.000 0.623 326 A CB -0.579 18.465 19.000 0.073 0.000 0.818 326 A HN 0.114 nan 8.150 nan 0.000 0.443 327 V N -0.246 119.787 119.914 0.198 0.000 2.379 327 V HA -0.173 3.947 4.120 0.001 0.000 0.245 327 V C 3.025 179.307 176.094 0.314 0.000 1.044 327 V CA 1.691 64.184 62.300 0.322 0.000 1.036 327 V CB -1.231 30.872 31.823 0.467 0.000 0.664 327 V HN 0.604 nan 8.190 nan 0.000 0.453 328 A N -0.136 122.807 122.820 0.206 0.000 1.908 328 A HA -0.282 4.038 4.320 0.001 0.000 0.218 328 A C 2.344 179.991 177.584 0.105 0.000 1.181 328 A CA 2.279 54.410 52.037 0.158 0.000 0.627 328 A CB -0.500 18.563 19.000 0.104 0.000 0.818 328 A HN 0.502 nan 8.150 nan 0.000 0.445 329 K N -0.908 119.527 120.400 0.058 0.000 2.032 329 K HA -0.163 4.157 4.320 0.001 0.000 0.209 329 K C 2.277 178.762 176.600 -0.191 0.000 1.048 329 K CA 1.215 57.487 56.287 -0.024 0.000 0.927 329 K CB -0.121 32.379 32.500 -0.001 0.000 0.712 329 K HN 0.239 nan 8.250 nan 0.000 0.441 330 R N -0.405 120.016 120.500 -0.131 0.000 2.120 330 R HA -0.108 4.233 4.340 0.001 0.000 0.234 330 R C 1.753 177.733 176.300 -0.532 0.000 1.123 330 R CA 1.246 57.166 56.100 -0.300 0.000 0.975 330 R CB -0.321 29.863 30.300 -0.192 0.000 0.866 330 R HN 0.250 nan 8.270 nan 0.000 0.446 331 F N -0.074 119.741 119.950 -0.224 0.000 2.664 331 F HA 0.178 4.705 4.527 0.001 0.000 0.303 331 F C 0.247 176.016 175.800 -0.052 0.000 1.092 331 F CA -0.158 57.769 58.000 -0.121 0.000 1.305 331 F CB 0.037 39.015 39.000 -0.037 0.000 1.054 331 F HN 0.093 nan 8.300 nan 0.000 0.565 332 H N -0.002 119.168 119.070 0.167 0.000 2.713 332 H HA -0.159 4.397 4.556 0.001 0.000 0.311 332 H C -0.069 175.325 175.328 0.110 0.000 1.175 332 H CA 0.363 56.476 56.048 0.109 0.000 1.143 332 H CB -1.976 27.831 29.762 0.075 0.000 1.434 332 H HN 0.265 nan 8.280 nan 0.000 0.418 333 L N 1.074 122.401 121.223 0.174 0.000 2.334 333 L HA 0.255 4.596 4.340 0.001 0.000 0.270 333 L C -0.609 176.318 176.870 0.095 0.000 1.018 333 L CA -1.815 53.100 54.840 0.125 0.000 0.811 333 L CB 1.232 43.353 42.059 0.104 0.000 1.271 333 L HN -0.089 nan 8.230 nan 0.000 0.443 334 P HA 0.073 nan 4.420 nan 0.000 0.231 334 P C 0.333 177.659 177.300 0.045 0.000 1.168 334 P CA 0.553 63.685 63.100 0.053 0.000 0.779 334 P CB 0.787 32.510 31.700 0.038 0.000 0.844 335 G N -0.702 108.126 108.800 0.048 0.000 2.554 335 G HA2 0.503 4.464 3.960 0.001 0.000 0.306 335 G HA3 0.503 4.464 3.960 0.001 0.000 0.306 335 G C -1.963 172.968 174.900 0.051 0.000 1.320 335 G CA -0.414 44.709 45.100 0.040 0.000 0.800 335 G HN -0.134 nan 8.290 nan 0.000 0.481 336 I N -0.111 120.484 120.570 0.040 0.000 2.646 336 I HA 0.558 4.728 4.170 0.001 0.000 0.299 336 I C -0.025 176.105 176.117 0.021 0.000 1.036 336 I CA -1.173 60.162 61.300 0.058 0.000 1.074 336 I CB 1.936 39.956 38.000 0.033 0.000 1.258 336 I HN 0.548 nan 8.210 nan 0.000 0.430 337 R N 4.810 125.341 120.500 0.052 0.000 2.205 337 R HA 0.334 4.674 4.340 0.001 0.000 0.342 337 R C -0.208 176.091 176.300 -0.001 0.000 1.058 337 R CA -0.209 55.910 56.100 0.032 0.000 0.904 337 R CB 0.423 30.767 30.300 0.074 0.000 1.089 337 R HN 0.730 nan 8.270 nan 0.000 0.471 338 Q N 2.141 121.908 119.800 -0.055 0.000 2.990 338 Q HA 0.869 5.209 4.340 0.001 0.000 0.255 338 Q C -0.418 175.535 176.000 -0.079 0.000 1.040 338 Q CA -1.187 54.555 55.803 -0.103 0.000 0.897 338 Q CB 1.725 30.370 28.738 -0.154 0.000 1.429 338 Q HN 0.538 nan 8.270 nan 0.000 0.497 339 G N -1.069 107.677 108.800 -0.091 0.000 2.322 339 G HA2 0.318 4.278 3.960 0.001 0.000 0.295 339 G HA3 0.318 4.278 3.960 0.001 0.000 0.295 339 G C -2.561 172.326 174.900 -0.021 0.000 1.369 339 G CA -0.700 44.367 45.100 -0.055 0.000 0.821 339 G HN 0.549 nan 8.290 nan 0.000 0.536 340 Y N 0.115 120.331 120.300 -0.140 0.000 2.373 340 Y HA 0.701 5.252 4.550 0.001 0.000 0.336 340 Y C 0.119 175.934 175.900 -0.142 0.000 0.979 340 Y CA 0.167 58.194 58.100 -0.122 0.000 1.080 340 Y CB 2.016 40.414 38.460 -0.104 0.000 1.190 340 Y HN 1.168 nan 8.280 nan 0.000 0.446 341 G N 5.276 113.718 108.800 -0.597 0.000 2.698 341 G HA2 0.594 4.555 3.960 0.001 0.000 0.293 341 G HA3 0.594 4.555 3.960 0.001 0.000 0.293 341 G C -2.383 172.236 174.900 -0.468 0.000 1.437 341 G CA -0.962 43.896 45.100 -0.402 0.000 0.852 341 G HN 0.723 nan 8.290 nan 0.000 0.499 342 L N -0.185 120.881 121.223 -0.261 0.000 2.309 342 L HA 0.444 4.785 4.340 0.001 0.000 0.261 342 L C 1.681 178.505 176.870 -0.076 0.000 1.021 342 L CA -0.962 53.788 54.840 -0.151 0.000 0.823 342 L CB 2.157 44.184 42.059 -0.053 0.000 1.366 342 L HN 0.630 nan 8.230 nan 0.000 0.423 343 T N -0.985 113.561 114.554 -0.013 0.000 2.759 343 T HA -0.161 4.190 4.350 0.001 0.000 0.269 343 T C 1.285 175.988 174.700 0.004 0.000 1.042 343 T CA 1.640 63.746 62.100 0.010 0.000 1.140 343 T CB -0.099 68.820 68.868 0.084 0.000 0.864 343 T HN 0.516 nan 8.240 nan 0.000 0.455 344 E N 0.927 121.136 120.200 0.014 0.000 2.409 344 E HA -0.028 4.322 4.350 0.001 0.000 0.198 344 E C 2.052 178.631 176.600 -0.035 0.000 1.024 344 E CA 1.000 57.387 56.400 -0.021 0.000 0.861 344 E CB -0.196 29.497 29.700 -0.011 0.000 0.788 344 E HN 0.673 nan 8.360 nan 0.000 0.521 345 T N -4.322 110.204 114.554 -0.047 0.000 3.174 345 T HA 0.240 4.590 4.350 0.001 0.000 0.269 345 T C 0.879 175.488 174.700 -0.152 0.000 1.017 345 T CA 0.336 62.404 62.100 -0.054 0.000 0.899 345 T CB 0.178 69.010 68.868 -0.059 0.000 1.077 345 T HN 0.004 nan 8.240 nan 0.000 0.552 346 T N 1.112 115.543 114.554 -0.205 0.000 13.275 346 T HA -0.256 4.095 4.350 0.001 0.000 0.419 346 T C 0.521 175.006 174.700 -0.359 0.000 1.444 346 T CA 1.870 63.707 62.100 -0.439 0.000 2.363 346 T CB -1.928 66.544 68.868 -0.659 0.000 2.804 346 T HN 1.124 nan 8.240 nan 0.000 0.610 347 S N 0.304 115.837 115.700 -0.278 0.000 2.819 347 S HA 0.813 5.284 4.470 0.001 0.000 0.299 347 S C -0.347 174.146 174.600 -0.178 0.000 1.192 347 S CA -0.455 57.660 58.200 -0.140 0.000 0.847 347 S CB 1.580 64.752 63.200 -0.046 0.000 1.224 347 S HN 1.492 nan 8.310 nan 0.000 0.537 348 A N 0.820 123.554 122.820 -0.143 0.000 2.540 348 A HA 0.478 4.799 4.320 0.001 0.000 0.239 348 A C 1.040 178.452 177.584 -0.286 0.000 1.061 348 A CA -0.101 51.824 52.037 -0.187 0.000 0.758 348 A CB -0.855 18.063 19.000 -0.135 0.000 0.991 348 A HN 1.225 nan 8.150 nan 0.000 0.502 349 I N -0.638 119.728 120.570 -0.339 0.000 4.181 349 I HA 0.352 4.522 4.170 0.001 0.000 0.331 349 I C -0.463 175.430 176.117 -0.373 0.000 1.312 349 I CA 0.050 61.008 61.300 -0.570 0.000 1.146 349 I CB -0.090 37.438 38.000 -0.788 0.000 1.074 349 I HN 0.342 nan 8.210 nan 0.000 0.402 350 L N 3.132 124.227 121.223 -0.213 0.000 2.349 350 L HA 0.630 4.970 4.340 0.001 0.000 0.278 350 L C -0.830 176.002 176.870 -0.063 0.000 0.996 350 L CA -0.364 54.378 54.840 -0.164 0.000 0.825 350 L CB 2.472 44.418 42.059 -0.188 0.000 1.243 350 L HN 0.065 nan 8.230 nan 0.000 0.412 351 I N 1.310 121.890 120.570 0.016 0.000 2.647 351 I HA 0.242 4.413 4.170 0.001 0.000 0.295 351 I C 0.099 176.227 176.117 0.019 0.000 1.078 351 I CA -0.599 60.724 61.300 0.039 0.000 1.048 351 I CB 2.709 40.779 38.000 0.116 0.000 1.239 351 I HN 0.469 nan 8.210 nan 0.000 0.421 352 T N 6.679 121.221 114.554 -0.020 0.000 2.758 352 T HA 0.091 4.442 4.350 0.001 0.000 0.281 352 T C -2.348 172.279 174.700 -0.121 0.000 0.963 352 T CA -0.515 61.562 62.100 -0.038 0.000 1.201 352 T CB -0.337 68.512 68.868 -0.032 0.000 0.906 352 T HN 0.231 nan 8.240 nan 0.000 0.528 353 P HA 0.137 nan 4.420 nan 0.000 0.269 353 P C -0.105 177.062 177.300 -0.222 0.000 1.215 353 P CA -0.385 62.478 63.100 -0.394 0.000 0.780 353 P CB 0.497 31.984 31.700 -0.355 0.000 0.898 354 E N 1.761 121.813 120.200 -0.246 0.000 2.217 354 E HA 0.453 4.804 4.350 0.001 0.000 0.279 354 E C 0.452 176.991 176.600 -0.102 0.000 1.068 354 E CA 0.664 56.984 56.400 -0.133 0.000 0.882 354 E CB -0.580 29.048 29.700 -0.120 0.000 1.039 354 E HN 0.674 nan 8.360 nan 0.000 0.418 360 G N -0.419 108.491 108.800 0.185 0.000 4.637 360 G HA2 0.561 4.522 3.960 0.001 0.000 0.308 360 G HA3 0.561 4.522 3.960 0.001 0.000 0.308 360 G C 0.026 174.933 174.900 0.012 0.000 1.377 360 G CA 0.297 45.451 45.100 0.090 0.000 1.176 360 G HN 0.660 nan 8.290 nan 0.000 0.601 361 A N 0.105 122.771 122.820 -0.257 0.000 2.409 361 A HA 0.435 4.756 4.320 0.001 0.000 0.267 361 A C 1.375 178.742 177.584 -0.363 0.000 1.127 361 A CA -0.320 51.192 52.037 -0.875 0.000 0.795 361 A CB 1.282 19.726 19.000 -0.927 0.000 1.061 361 A HN 0.592 nan 8.150 nan 0.000 0.502 362 V N 2.929 122.667 119.914 -0.293 0.000 2.913 362 V HA 0.314 4.434 4.120 0.001 0.000 0.260 362 V C 1.310 177.365 176.094 -0.066 0.000 1.098 362 V CA 2.365 64.599 62.300 -0.110 0.000 1.121 362 V CB -0.990 30.810 31.823 -0.037 0.000 0.714 362 V HN 1.863 nan 8.190 nan 0.000 0.487 363 G N -0.690 108.083 108.800 -0.045 0.000 2.250 363 G HA2 0.015 3.976 3.960 0.001 0.000 0.252 363 G HA3 0.015 3.976 3.960 0.001 0.000 0.252 363 G C -0.829 174.112 174.900 0.068 0.000 1.325 363 G CA -0.387 44.734 45.100 0.035 0.000 1.091 363 G HN 0.284 nan 8.290 nan 0.000 0.476 364 K N -0.924 119.510 120.400 0.057 0.000 2.395 364 K HA 0.671 4.992 4.320 0.001 0.000 0.245 364 K C -0.202 176.433 176.600 0.058 0.000 1.017 364 K CA -0.874 55.468 56.287 0.093 0.000 0.852 364 K CB 2.714 35.260 32.500 0.076 0.000 1.311 364 K HN 0.462 nan 8.250 nan 0.000 0.452 365 V N 2.550 122.446 119.914 -0.029 0.000 2.585 365 V HA -0.001 4.119 4.120 0.001 0.000 0.296 365 V C 0.529 176.481 176.094 -0.236 0.000 1.035 365 V CA -0.476 61.725 62.300 -0.165 0.000 1.084 365 V CB 0.386 32.134 31.823 -0.125 0.000 0.953 365 V HN 0.542 nan 8.190 nan 0.000 0.483 366 V N 3.741 123.413 119.914 -0.403 0.000 3.003 366 V HA 0.394 4.515 4.120 0.001 0.000 0.305 366 V C -2.211 173.583 176.094 -0.501 0.000 1.078 366 V CA -2.179 59.625 62.300 -0.827 0.000 1.083 366 V CB 0.130 31.445 31.823 -0.847 0.000 1.039 366 V HN 0.700 nan 8.190 nan 0.000 0.481 367 P HA 0.224 nan 4.420 nan 0.000 0.266 367 P C -0.239 177.158 177.300 0.163 0.000 1.193 367 P CA 0.591 63.526 63.100 -0.275 0.000 0.770 367 P CB -0.092 31.445 31.700 -0.271 0.000 0.836 368 F N -2.472 117.510 119.950 0.054 0.000 2.502 368 F HA -0.221 4.306 4.527 0.001 0.000 0.480 368 F C 0.370 176.113 175.800 -0.095 0.000 0.543 368 F CA 0.755 58.763 58.000 0.013 0.000 1.350 368 F CB -2.073 36.965 39.000 0.064 0.000 1.999 368 F HN 0.177 nan 8.300 nan 0.000 0.267 369 F N 0.741 120.691 119.950 -0.000 0.000 2.575 369 F HA 0.603 5.131 4.527 0.001 0.000 0.330 369 F C 0.226 175.955 175.800 -0.118 0.000 1.056 369 F CA -0.899 57.056 58.000 -0.076 0.000 0.964 369 F CB 1.483 40.432 39.000 -0.085 0.000 1.258 369 F HN 0.012 nan 8.300 nan 0.000 0.484 370 E N 1.089 121.302 120.200 0.023 0.000 2.314 370 E HA 0.821 5.172 4.350 0.001 0.000 0.272 370 E C -1.929 174.787 176.600 0.194 0.000 0.884 370 E CA -1.358 55.067 56.400 0.042 0.000 0.753 370 E CB 2.285 31.962 29.700 -0.037 0.000 1.213 370 E HN 0.622 nan 8.360 nan 0.000 0.432 371 A N 2.635 125.604 122.820 0.249 0.000 2.393 371 A HA 0.668 4.988 4.320 0.001 0.000 0.306 371 A C -1.019 176.770 177.584 0.341 0.000 1.050 371 A CA -0.883 51.339 52.037 0.308 0.000 0.724 371 A CB 1.394 20.325 19.000 -0.116 0.000 1.248 371 A HN 0.719 nan 8.150 nan 0.000 0.424 372 K N 0.022 120.582 120.400 0.266 0.000 2.482 372 K HA 0.812 5.132 4.320 0.001 0.000 0.257 372 K C -0.977 175.733 176.600 0.183 0.000 0.969 372 K CA -0.819 55.550 56.287 0.136 0.000 0.842 372 K CB 2.126 34.475 32.500 -0.250 0.000 1.359 372 K HN 0.933 nan 8.250 nan 0.000 0.441 373 V N -0.841 119.245 119.914 0.286 0.000 2.459 373 V HA 0.726 4.847 4.120 0.001 0.000 0.295 373 V C -0.104 176.031 176.094 0.069 0.000 1.029 373 V CA -0.736 61.674 62.300 0.183 0.000 0.874 373 V CB 1.044 33.001 31.823 0.224 0.000 0.985 373 V HN 0.693 nan 8.190 nan 0.000 0.438 374 V N 0.539 120.463 119.914 0.016 0.000 2.769 374 V HA 0.581 4.701 4.120 0.001 0.000 0.312 374 V C 0.085 176.190 176.094 0.018 0.000 1.058 374 V CA -0.617 61.678 62.300 -0.007 0.000 0.952 374 V CB 1.753 33.554 31.823 -0.036 0.000 1.019 374 V HN 1.022 nan 8.190 nan 0.000 0.445 375 D N 1.740 122.145 120.400 0.009 0.000 2.493 375 D HA 0.077 4.718 4.640 0.001 0.000 0.240 375 D C 1.140 177.455 176.300 0.025 0.000 1.142 375 D CA 0.210 54.216 54.000 0.010 0.000 0.872 375 D CB 1.315 42.116 40.800 0.002 0.000 1.173 375 D HN 0.672 nan 8.370 nan 0.000 0.467 376 L N 3.183 124.422 121.223 0.027 0.000 2.191 376 L HA -0.167 4.174 4.340 0.001 0.000 0.212 376 L C 1.806 178.694 176.870 0.029 0.000 1.103 376 L CA 0.881 55.742 54.840 0.036 0.000 0.769 376 L CB -0.223 41.856 42.059 0.033 0.000 0.908 376 L HN 0.465 nan 8.230 nan 0.000 0.438 377 D N -0.788 119.624 120.400 0.019 0.000 2.214 377 D HA -0.090 4.550 4.640 0.001 0.000 0.217 377 D C 2.059 178.368 176.300 0.014 0.000 0.973 377 D CA 2.032 56.040 54.000 0.014 0.000 0.880 377 D CB -0.108 40.697 40.800 0.008 0.000 1.031 377 D HN 0.345 nan 8.370 nan 0.000 0.468 378 T N -2.863 111.698 114.554 0.012 0.000 3.037 378 T HA 0.333 4.683 4.350 0.001 0.000 0.251 378 T C 1.760 176.469 174.700 0.015 0.000 1.079 378 T CA 0.832 62.939 62.100 0.011 0.000 1.067 378 T CB 0.692 69.564 68.868 0.006 0.000 0.948 378 T HN 0.277 nan 8.240 nan 0.000 0.496 379 G N 1.943 110.755 108.800 0.021 0.000 2.184 379 G HA2 -0.289 3.671 3.960 0.001 0.000 0.264 379 G HA3 -0.289 3.671 3.960 0.001 0.000 0.264 379 G C 0.042 174.941 174.900 -0.002 0.000 0.975 379 G CA 0.209 45.325 45.100 0.026 0.000 0.642 379 G HN 0.679 nan 8.290 nan 0.000 0.536 380 K N 1.241 121.638 120.400 -0.004 0.000 2.485 380 K HA 0.330 4.650 4.320 0.001 0.000 0.277 380 K C 0.465 177.052 176.600 -0.021 0.000 0.990 380 K CA 0.520 56.800 56.287 -0.012 0.000 0.994 380 K CB 0.353 32.850 32.500 -0.005 0.000 0.906 380 K HN 0.124 nan 8.250 nan 0.000 0.488 381 T N 4.235 118.770 114.554 -0.031 0.000 2.769 381 T HA 0.128 4.479 4.350 0.001 0.000 0.293 381 T C 0.483 175.201 174.700 0.029 0.000 0.931 381 T CA -0.296 61.790 62.100 -0.023 0.000 1.139 381 T CB -0.016 68.825 68.868 -0.046 0.000 0.881 381 T HN 0.262 nan 8.240 nan 0.000 0.532 382 L N 2.427 123.674 121.223 0.041 0.000 2.456 382 L HA 0.585 4.925 4.340 0.001 0.000 0.257 382 L C 1.384 178.281 176.870 0.045 0.000 1.162 382 L CA -0.725 54.122 54.840 0.011 0.000 0.808 382 L CB 0.335 42.372 42.059 -0.038 0.000 1.136 382 L HN 0.689 nan 8.230 nan 0.000 0.466 383 G N 0.149 108.903 108.800 -0.076 0.000 2.641 383 G HA2 0.456 4.416 3.960 0.001 0.000 0.239 383 G HA3 0.456 4.416 3.960 0.001 0.000 0.239 383 G C -0.283 174.154 174.900 -0.773 0.000 1.402 383 G CA -0.661 44.349 45.100 -0.150 0.000 1.046 383 G HN 0.336 nan 8.290 nan 0.000 0.565 384 V N 1.605 121.029 119.914 -0.817 0.000 2.814 384 V HA -0.015 4.105 4.120 0.001 0.000 0.307 384 V C 0.870 176.570 176.094 -0.657 0.000 1.089 384 V CA 0.213 61.917 62.300 -0.993 0.000 1.212 384 V CB 0.407 32.028 31.823 -0.336 0.000 0.912 384 V HN 0.814 nan 8.190 nan 0.000 0.497 385 N N 0.711 119.056 118.700 -0.592 0.000 2.666 385 N HA -0.235 4.505 4.740 0.001 0.000 0.248 385 N C 0.362 175.604 175.510 -0.446 0.000 1.118 385 N CA 1.567 54.379 53.050 -0.397 0.000 0.722 385 N CB -0.765 37.529 38.487 -0.322 0.000 1.050 385 N HN 1.111 nan 8.380 nan 0.000 0.550 386 Q N 0.650 120.194 119.800 -0.426 0.000 2.307 386 Q HA 0.469 4.809 4.340 0.001 0.000 0.262 386 Q C 0.416 176.303 176.000 -0.189 0.000 0.961 386 Q CA -0.701 54.924 55.803 -0.296 0.000 0.882 386 Q CB 0.954 29.542 28.738 -0.250 0.000 1.264 386 Q HN 0.248 nan 8.270 nan 0.000 0.446 387 R N 1.046 121.463 120.500 -0.138 0.000 2.389 387 R HA 0.711 5.051 4.340 0.001 0.000 0.295 387 R C 0.217 176.522 176.300 0.008 0.000 1.075 387 R CA 0.374 56.471 56.100 -0.005 0.000 1.005 387 R CB 1.067 31.358 30.300 -0.014 0.000 0.987 387 R HN 0.865 nan 8.270 nan 0.000 0.452 388 G N 0.949 109.784 108.800 0.057 0.000 2.548 388 G HA2 0.109 4.070 3.960 0.001 0.000 0.301 388 G HA3 0.109 4.070 3.960 0.001 0.000 0.301 388 G C -1.554 173.393 174.900 0.079 0.000 1.349 388 G CA -0.779 44.352 45.100 0.052 0.000 0.792 388 G HN 0.540 nan 8.290 nan 0.000 0.481 389 E N -0.336 119.909 120.200 0.075 0.000 2.344 389 E HA 0.282 4.632 4.350 0.001 0.000 0.270 389 E C -0.471 176.178 176.600 0.083 0.000 1.021 389 E CA -0.588 55.864 56.400 0.087 0.000 0.887 389 E CB 0.880 30.646 29.700 0.109 0.000 0.997 389 E HN 0.380 nan 8.360 nan 0.000 0.429 390 L N 5.852 127.121 121.223 0.077 0.000 2.360 390 L HA 0.222 4.562 4.340 0.001 0.000 0.276 390 L C -1.293 175.613 176.870 0.060 0.000 1.121 390 L CA -0.030 54.853 54.840 0.073 0.000 0.845 390 L CB 0.367 42.402 42.059 -0.040 0.000 1.143 390 L HN 0.604 nan 8.230 nan 0.000 0.452 391 C N 4.830 124.167 119.300 0.062 0.000 2.507 391 C HA 0.836 5.296 4.460 0.001 0.000 0.319 391 C C -0.265 174.928 174.990 0.337 0.000 1.208 391 C CA -0.811 58.253 59.018 0.078 0.000 1.619 391 C CB 1.467 29.094 27.740 -0.189 0.000 2.230 391 C HN 0.764 nan 8.230 nan 0.000 0.492 392 V N 1.298 121.450 119.914 0.396 0.000 2.962 392 V HA 0.819 4.940 4.120 0.001 0.000 0.313 392 V C -0.783 175.427 176.094 0.194 0.000 1.099 392 V CA -0.831 61.701 62.300 0.387 0.000 0.971 392 V CB 1.881 33.874 31.823 0.284 0.000 1.028 392 V HN 0.960 nan 8.190 nan 0.000 0.430 393 R N 1.093 121.493 120.500 -0.166 0.000 2.574 393 R HA 0.801 5.141 4.340 0.001 0.000 0.288 393 R C -0.388 175.443 176.300 -0.781 0.000 1.004 393 R CA 0.376 56.113 56.100 -0.604 0.000 0.895 393 R CB 1.960 31.436 30.300 -1.372 0.000 1.191 393 R HN 1.630 nan 8.270 nan 0.000 0.444 394 G N 2.890 111.089 108.800 -1.002 0.000 2.368 394 G HA2 0.198 4.158 3.960 0.001 0.000 0.293 394 G HA3 0.198 4.158 3.960 0.001 0.000 0.293 394 G C -2.678 171.636 174.900 -0.976 0.000 1.467 394 G CA -0.868 43.220 45.100 -1.687 0.000 0.804 394 G HN 0.390 nan 8.290 nan 0.000 0.535 395 P HA 0.031 nan 4.420 nan 0.000 0.242 395 P C 1.136 178.334 177.300 -0.170 0.000 1.197 395 P CA 0.676 63.581 63.100 -0.325 0.000 0.765 395 P CB 0.142 31.663 31.700 -0.299 0.000 0.936 396 M N -1.316 118.315 119.600 0.050 0.000 2.382 396 M HA 0.127 4.607 4.480 0.001 0.000 0.247 396 M C 0.544 176.877 176.300 0.055 0.000 1.104 396 M CA -0.160 55.188 55.300 0.079 0.000 1.030 396 M CB 0.231 32.913 32.600 0.136 0.000 1.424 396 M HN -0.213 nan 8.290 nan 0.000 0.486 397 I N 2.900 123.523 120.570 0.089 0.000 2.775 397 I HA -0.042 4.129 4.170 0.001 0.000 0.290 397 I C 0.829 176.913 176.117 -0.054 0.000 1.203 397 I CA 0.218 61.531 61.300 0.022 0.000 1.433 397 I CB -0.191 37.799 38.000 -0.017 0.000 1.354 397 I HN 0.389 nan 8.210 nan 0.000 0.579 398 M N 4.084 123.641 119.600 -0.072 0.000 2.228 398 M HA 0.053 4.533 4.480 0.001 0.000 0.303 398 M C 1.364 177.609 176.300 -0.092 0.000 1.099 398 M CA 0.327 55.571 55.300 -0.093 0.000 1.171 398 M CB -0.009 32.512 32.600 -0.133 0.000 1.412 398 M HN 0.606 nan 8.290 nan 0.000 0.447 399 S N 0.108 115.763 115.700 -0.075 0.000 2.436 399 S HA 0.386 4.857 4.470 0.001 0.000 0.228 399 S C 0.740 175.296 174.600 -0.074 0.000 1.014 399 S CA 0.573 58.737 58.200 -0.059 0.000 0.950 399 S CB -0.631 62.550 63.200 -0.031 0.000 0.784 399 S HN 1.405 nan 8.310 nan 0.000 0.504 400 G N -0.853 107.875 108.800 -0.121 0.000 2.368 400 G HA2 0.270 4.231 3.960 0.001 0.000 0.302 400 G HA3 0.270 4.231 3.960 0.001 0.000 0.302 400 G C -1.762 173.040 174.900 -0.163 0.000 1.329 400 G CA -0.931 44.066 45.100 -0.171 0.000 0.935 400 G HN 0.159 nan 8.290 nan 0.000 0.590 401 Y N -0.055 120.267 120.300 0.037 0.000 2.377 401 Y HA 0.414 4.964 4.550 0.001 0.000 0.330 401 Y C 1.368 177.287 175.900 0.032 0.000 1.108 401 Y CA -0.430 57.693 58.100 0.039 0.000 1.308 401 Y CB 1.327 39.811 38.460 0.041 0.000 1.216 401 Y HN 0.331 nan 8.280 nan 0.000 0.518 402 V N 4.985 125.019 119.914 0.201 0.000 2.475 402 V HA -0.150 3.971 4.120 0.001 0.000 0.292 402 V C 0.327 176.484 176.094 0.104 0.000 1.003 402 V CA 0.309 62.679 62.300 0.116 0.000 1.120 402 V CB -0.991 30.888 31.823 0.094 0.000 0.937 402 V HN 0.988 nan 8.190 nan 0.000 0.476 403 N N 3.136 121.882 118.700 0.078 0.000 2.721 403 N HA -0.207 4.534 4.740 0.001 0.000 0.249 403 N C 0.009 175.560 175.510 0.068 0.000 1.072 403 N CA 0.962 54.048 53.050 0.059 0.000 0.710 403 N CB -0.789 37.722 38.487 0.040 0.000 0.993 403 N HN 0.760 nan 8.380 nan 0.000 0.547 404 N N -0.990 117.773 118.700 0.105 0.000 2.732 404 N HA 0.170 4.911 4.740 0.001 0.000 0.235 404 N C -2.204 173.399 175.510 0.155 0.000 1.466 404 N CA -1.486 51.627 53.050 0.106 0.000 0.751 404 N CB 0.964 39.499 38.487 0.079 0.000 1.317 404 N HN -0.059 nan 8.380 nan 0.000 0.525 405 P HA -0.062 nan 4.420 nan 0.000 0.221 405 P C 1.139 178.500 177.300 0.102 0.000 1.150 405 P CA 1.285 64.442 63.100 0.095 0.000 0.800 405 P CB 0.434 32.170 31.700 0.060 0.000 0.787 406 E N 1.031 121.284 120.200 0.088 0.000 2.031 406 E HA -0.122 4.228 4.350 0.001 0.000 0.193 406 E C 2.289 178.956 176.600 0.111 0.000 0.994 406 E CA 1.639 58.086 56.400 0.077 0.000 0.800 406 E CB -1.553 28.177 29.700 0.050 0.000 0.752 406 E HN 0.311 nan 8.360 nan 0.000 0.447 407 A N 0.513 123.417 122.820 0.140 0.000 1.933 407 A HA -0.101 4.220 4.320 0.001 0.000 0.218 407 A C 2.652 180.475 177.584 0.398 0.000 1.175 407 A CA 2.403 54.557 52.037 0.196 0.000 0.628 407 A CB -0.924 18.080 19.000 0.006 0.000 0.814 407 A HN 0.459 nan 8.150 nan 0.000 0.444 408 T N 0.859 115.649 114.554 0.394 0.000 2.708 408 T HA -0.139 4.212 4.350 0.001 0.000 0.266 408 T C 1.794 176.564 174.700 0.116 0.000 1.037 408 T CA 1.570 63.779 62.100 0.180 0.000 1.146 408 T CB -0.409 68.508 68.868 0.082 0.000 0.865 408 T HN 0.499 nan 8.240 nan 0.000 0.435 409 N N 1.287 120.051 118.700 0.108 0.000 2.309 409 N HA 0.053 4.793 4.740 0.001 0.000 0.182 409 N C 1.898 177.454 175.510 0.077 0.000 1.018 409 N CA 1.016 54.114 53.050 0.079 0.000 0.876 409 N CB -0.391 38.133 38.487 0.062 0.000 0.972 409 N HN 0.442 nan 8.380 nan 0.000 0.434 410 A N 0.071 122.948 122.820 0.094 0.000 2.016 410 A HA 0.030 4.351 4.320 0.001 0.000 0.217 410 A C 2.148 179.783 177.584 0.085 0.000 1.162 410 A CA 0.587 52.666 52.037 0.068 0.000 0.662 410 A CB -0.251 18.794 19.000 0.075 0.000 0.812 410 A HN 0.216 nan 8.150 nan 0.000 0.450 411 L N -0.621 120.693 121.223 0.152 0.000 2.168 411 L HA 0.361 4.701 4.340 0.001 0.000 0.203 411 L C 0.403 177.411 176.870 0.230 0.000 1.078 411 L CA 1.155 56.110 54.840 0.192 0.000 0.780 411 L CB 0.028 42.212 42.059 0.209 0.000 0.939 411 L HN 0.278 nan 8.230 nan 0.000 0.451 412 I N 1.023 121.697 120.570 0.172 0.000 2.339 412 I HA 0.242 4.413 4.170 0.001 0.000 0.290 412 I C -0.592 175.644 176.117 0.200 0.000 0.994 412 I CA -1.082 60.336 61.300 0.195 0.000 1.191 412 I CB 1.134 39.186 38.000 0.087 0.000 1.343 412 I HN 0.179 nan 8.210 nan 0.000 0.458 413 D N 5.142 125.728 120.400 0.310 0.000 2.414 413 D HA 0.210 4.850 4.640 0.001 0.000 0.251 413 D C 1.153 177.558 176.300 0.175 0.000 1.252 413 D CA -0.366 53.787 54.000 0.255 0.000 0.999 413 D CB 0.718 41.762 40.800 0.407 0.000 1.093 413 D HN 0.446 nan 8.370 nan 0.000 0.515 414 K N -1.053 119.434 120.400 0.145 0.000 2.280 414 K HA 0.026 4.347 4.320 0.001 0.000 0.202 414 K C 1.795 178.455 176.600 0.100 0.000 1.047 414 K CA 2.149 58.496 56.287 0.101 0.000 0.942 414 K CB -1.614 30.935 32.500 0.082 0.000 0.739 414 K HN 0.714 nan 8.250 nan 0.000 0.457 415 D N -1.527 118.971 120.400 0.164 0.000 2.339 415 D HA 0.368 5.009 4.640 0.001 0.000 0.217 415 D C 1.515 177.816 176.300 0.001 0.000 1.050 415 D CA 0.971 55.053 54.000 0.137 0.000 0.856 415 D CB -0.333 40.646 40.800 0.299 0.000 0.922 415 D HN 1.128 nan 8.370 nan 0.000 0.518 416 G N -0.858 107.955 108.800 0.022 0.000 2.176 416 G HA2 -0.184 3.776 3.960 0.001 0.000 0.232 416 G HA3 -0.184 3.776 3.960 0.001 0.000 0.232 416 G C 0.113 174.942 174.900 -0.118 0.000 0.986 416 G CA -0.182 44.858 45.100 -0.099 0.000 0.643 416 G HN 0.457 nan 8.290 nan 0.000 0.522 417 W N 0.773 122.073 121.300 -0.000 0.000 2.303 417 W HA 0.620 5.280 4.660 0.001 0.000 0.318 417 W C 0.863 177.375 176.519 -0.011 0.000 1.362 417 W CA -0.580 56.738 57.345 -0.045 0.000 1.234 417 W CB 0.560 29.944 29.460 -0.126 0.000 1.248 417 W HN 0.259 nan 8.180 nan 0.000 0.546 418 L N 5.391 126.746 121.223 0.220 0.000 2.290 418 L HA 0.248 4.589 4.340 0.001 0.000 0.284 418 L C 0.179 177.148 176.870 0.166 0.000 1.078 418 L CA -0.325 54.638 54.840 0.206 0.000 0.815 418 L CB 0.220 42.376 42.059 0.162 0.000 1.162 418 L HN 0.359 nan 8.230 nan 0.000 0.435 419 H N 4.167 123.349 119.070 0.187 0.000 2.761 419 H HA 0.085 4.641 4.556 0.001 0.000 0.284 419 H C 1.001 176.424 175.328 0.158 0.000 1.105 419 H CA 0.255 56.399 56.048 0.160 0.000 1.352 419 H CB 1.273 31.111 29.762 0.127 0.000 1.423 419 H HN 0.858 nan 8.280 nan 0.000 0.464 420 S N 2.284 118.118 115.700 0.223 0.000 2.423 420 S HA -0.073 4.398 4.470 0.001 0.000 0.231 420 S C 1.895 176.628 174.600 0.221 0.000 1.014 420 S CA 0.662 59.005 58.200 0.238 0.000 0.965 420 S CB 0.091 63.443 63.200 0.254 0.000 0.785 420 S HN 0.904 nan 8.310 nan 0.000 0.495 421 G N 0.614 109.530 108.800 0.193 0.000 2.179 421 G HA2 -0.201 3.760 3.960 0.001 0.000 0.260 421 G HA3 -0.201 3.760 3.960 0.001 0.000 0.260 421 G C -0.441 174.544 174.900 0.143 0.000 0.977 421 G CA 0.267 45.464 45.100 0.162 0.000 0.641 421 G HN 0.593 nan 8.290 nan 0.000 0.533 422 D N -0.029 120.456 120.400 0.143 0.000 2.217 422 D HA 0.665 5.306 4.640 0.001 0.000 0.248 422 D C 0.333 176.675 176.300 0.070 0.000 1.008 422 D CA -0.381 53.685 54.000 0.109 0.000 0.914 422 D CB 1.297 42.162 40.800 0.109 0.000 1.182 422 D HN 0.118 nan 8.370 nan 0.000 0.451 423 I N 1.284 121.898 120.570 0.073 0.000 2.428 423 I HA 0.637 4.808 4.170 0.001 0.000 0.296 423 I C 0.353 176.521 176.117 0.085 0.000 0.985 423 I CA -0.220 61.129 61.300 0.083 0.000 1.260 423 I CB 1.280 39.333 38.000 0.088 0.000 1.389 423 I HN 0.429 nan 8.210 nan 0.000 0.484 424 A N 4.658 127.550 122.820 0.120 0.000 2.536 424 A HA 0.895 5.215 4.320 0.001 0.000 0.293 424 A C -1.860 175.855 177.584 0.219 0.000 1.119 424 A CA -0.578 51.538 52.037 0.132 0.000 0.654 424 A CB 1.411 20.473 19.000 0.102 0.000 1.291 424 A HN 0.748 nan 8.150 nan 0.000 0.439 425 Y N -2.076 118.290 120.300 0.109 0.000 2.624 425 Y HA 0.784 5.335 4.550 0.001 0.000 0.334 425 Y C -1.423 174.438 175.900 -0.064 0.000 1.155 425 Y CA -1.704 56.348 58.100 -0.080 0.000 1.046 425 Y CB 0.924 39.279 38.460 -0.175 0.000 1.316 425 Y HN 1.006 nan 8.280 nan 0.000 0.457 426 W N 2.451 123.652 121.300 -0.166 0.000 2.632 426 W HA 0.527 5.187 4.660 0.001 0.000 0.328 426 W C -1.072 175.464 176.519 0.028 0.000 1.044 426 W CA -0.921 56.196 57.345 -0.380 0.000 1.225 426 W CB 1.431 30.253 29.460 -1.063 0.000 1.396 426 W HN 0.799 nan 8.180 nan 0.000 0.499 427 D N 0.263 120.894 120.400 0.384 0.000 2.440 427 D HA 0.168 4.808 4.640 0.001 0.000 0.269 427 D C 1.269 177.754 176.300 0.308 0.000 1.249 427 D CA 0.138 54.322 54.000 0.307 0.000 1.055 427 D CB -0.127 40.905 40.800 0.387 0.000 1.104 427 D HN 0.537 nan 8.370 nan 0.000 0.561 428 E N -0.741 119.590 120.200 0.219 0.000 2.338 428 E HA -0.114 4.236 4.350 0.001 0.000 0.197 428 E C 1.056 177.781 176.600 0.209 0.000 1.007 428 E CA 1.277 57.800 56.400 0.204 0.000 0.849 428 E CB -0.705 29.071 29.700 0.127 0.000 0.774 428 E HN 0.507 nan 8.360 nan 0.000 0.506 429 D N -0.310 120.231 120.400 0.236 0.000 2.349 429 D HA 0.080 4.720 4.640 0.001 0.000 0.214 429 D C -0.002 176.366 176.300 0.113 0.000 1.063 429 D CA 0.504 54.619 54.000 0.192 0.000 0.847 429 D CB 0.420 41.396 40.800 0.294 0.000 0.933 429 D HN 0.616 nan 8.370 nan 0.000 0.513 430 E N -0.545 119.758 120.200 0.171 0.000 3.763 430 E HA -0.201 4.150 4.350 0.001 0.000 0.319 430 E C -0.330 176.319 176.600 0.082 0.000 0.804 430 E CA 0.311 56.764 56.400 0.089 0.000 1.196 430 E CB -1.979 27.728 29.700 0.011 0.000 1.607 430 E HN 0.513 nan 8.360 nan 0.000 0.431 431 H N -0.493 118.679 119.070 0.170 0.000 2.848 431 H HA 0.235 4.792 4.556 0.001 0.000 0.317 431 H C 0.095 175.423 175.328 -0.000 0.000 1.046 431 H CA 0.243 56.338 56.048 0.079 0.000 1.470 431 H CB 0.340 30.104 29.762 0.004 0.000 1.483 431 H HN -0.058 nan 8.280 nan 0.000 0.548 432 F N 2.997 122.888 119.950 -0.098 0.000 2.377 432 F HA 0.356 4.884 4.527 0.001 0.000 0.328 432 F C -0.437 175.032 175.800 -0.552 0.000 1.094 432 F CA -0.408 57.520 58.000 -0.120 0.000 1.093 432 F CB 0.701 39.660 39.000 -0.068 0.000 1.214 432 F HN 0.376 nan 8.300 nan 0.000 0.518 433 F N 2.993 122.801 119.950 -0.237 0.000 2.561 433 F HA 0.457 4.985 4.527 0.001 0.000 0.313 433 F C -0.598 175.030 175.800 -0.286 0.000 1.126 433 F CA -1.043 56.739 58.000 -0.363 0.000 0.918 433 F CB 1.262 39.791 39.000 -0.785 0.000 1.199 433 F HN 0.017 nan 8.300 nan 0.000 0.444 434 I N 4.646 125.228 120.570 0.020 0.000 2.365 434 I HA 0.528 4.698 4.170 0.001 0.000 0.291 434 I C 0.139 176.311 176.117 0.093 0.000 1.004 434 I CA -0.652 60.666 61.300 0.029 0.000 1.311 434 I CB 1.099 39.116 38.000 0.029 0.000 1.401 434 I HN 0.412 nan 8.210 nan 0.000 0.491 442 I N 0.600 121.182 120.570 0.020 0.000 2.395 442 I HA 0.759 4.929 4.170 0.001 0.000 0.289 442 I C 0.475 176.619 176.117 0.044 0.000 1.023 442 I CA -0.197 61.121 61.300 0.029 0.000 1.350 442 I CB 0.920 38.938 38.000 0.029 0.000 1.409 442 I HN 0.603 nan 8.210 nan 0.000 0.507 443 K N 5.067 125.494 120.400 0.046 0.000 2.334 443 K HA 0.594 4.914 4.320 0.001 0.000 0.265 443 K C -0.977 175.671 176.600 0.081 0.000 1.039 443 K CA -0.562 55.754 56.287 0.047 0.000 0.920 443 K CB 0.804 33.309 32.500 0.009 0.000 1.160 443 K HN 1.246 nan 8.250 nan 0.000 0.451 444 Y N 2.256 122.547 120.300 -0.014 0.000 2.404 444 Y HA 0.297 4.847 4.550 0.001 0.000 0.344 444 Y C 0.418 176.310 175.900 -0.014 0.000 0.970 444 Y CA -0.499 57.593 58.100 -0.014 0.000 1.180 444 Y CB 0.767 39.218 38.460 -0.015 0.000 1.138 444 Y HN 0.846 nan 8.280 nan 0.000 0.510 445 K N 5.034 125.084 120.400 -0.583 0.000 3.071 445 K HA -0.274 4.046 4.320 0.001 0.000 0.262 445 K C 1.021 177.492 176.600 -0.214 0.000 0.977 445 K CA 0.887 56.896 56.287 -0.463 0.000 0.721 445 K CB -1.564 30.532 32.500 -0.675 0.000 1.293 445 K HN 1.277 nan 8.250 nan 0.000 0.475 446 G N -2.369 106.354 108.800 -0.127 0.000 2.320 446 G HA2 -0.392 3.568 3.960 0.001 0.000 0.242 446 G HA3 -0.392 3.568 3.960 0.001 0.000 0.242 446 G C 0.284 175.167 174.900 -0.028 0.000 1.033 446 G CA 0.513 45.574 45.100 -0.066 0.000 0.620 446 G HN 0.984 nan 8.290 nan 0.000 0.517 447 Y N 0.957 121.251 120.300 -0.010 0.000 2.402 447 Y HA 0.772 5.322 4.550 0.001 0.000 0.333 447 Y C 0.658 176.594 175.900 0.059 0.000 1.076 447 Y CA 0.762 58.885 58.100 0.039 0.000 1.299 447 Y CB -0.336 38.175 38.460 0.085 0.000 1.197 447 Y HN 1.610 nan 8.280 nan 0.000 0.517 448 Q N 1.431 121.253 119.800 0.037 0.000 2.286 448 Q HA 0.606 4.946 4.340 0.001 0.000 0.257 448 Q C -0.806 175.214 176.000 0.033 0.000 0.941 448 Q CA -0.201 55.621 55.803 0.031 0.000 0.912 448 Q CB 1.192 29.938 28.738 0.015 0.000 1.192 448 Q HN 1.386 nan 8.270 nan 0.000 0.410 449 V N 1.575 121.508 119.914 0.031 0.000 2.447 449 V HA 0.682 4.802 4.120 0.001 0.000 0.292 449 V C 0.049 176.149 176.094 0.011 0.000 1.021 449 V CA -0.867 61.444 62.300 0.018 0.000 0.850 449 V CB 1.243 33.076 31.823 0.016 0.000 1.005 449 V HN 1.139 nan 8.190 nan 0.000 0.426 450 A N 7.758 130.582 122.820 0.006 0.000 2.396 450 A HA 0.549 4.869 4.320 0.001 0.000 0.279 450 A C -0.733 176.853 177.584 0.003 0.000 1.165 450 A CA -1.153 50.888 52.037 0.007 0.000 0.824 450 A CB 0.241 19.245 19.000 0.007 0.000 1.100 450 A HN 0.656 nan 8.150 nan 0.000 0.516 451 P HA -0.246 nan 4.420 nan 0.000 0.217 451 P C 1.498 178.800 177.300 0.003 0.000 1.148 451 P CA 1.981 65.082 63.100 0.002 0.000 0.828 451 P CB 0.137 31.840 31.700 0.006 0.000 0.783 452 A N 0.614 123.438 122.820 0.008 0.000 1.940 452 A HA -0.222 4.098 4.320 0.001 0.000 0.219 452 A C 2.383 179.971 177.584 0.007 0.000 1.176 452 A CA 1.727 53.770 52.037 0.010 0.000 0.631 452 A CB -1.285 17.723 19.000 0.013 0.000 0.814 452 A HN 0.232 nan 8.150 nan 0.000 0.446 453 E N -0.195 120.007 120.200 0.003 0.000 2.152 453 E HA -0.094 4.257 4.350 0.001 0.000 0.192 453 E C 1.841 178.438 176.600 -0.006 0.000 0.983 453 E CA 0.751 57.150 56.400 -0.001 0.000 0.818 453 E CB -0.122 29.575 29.700 -0.005 0.000 0.758 453 E HN 0.668 nan 8.360 nan 0.000 0.467 454 L N 0.322 121.539 121.223 -0.010 0.000 2.179 454 L HA -0.076 4.264 4.340 0.001 0.000 0.208 454 L C 2.218 179.090 176.870 0.004 0.000 1.096 454 L CA 0.809 55.639 54.840 -0.016 0.000 0.779 454 L CB -0.201 41.842 42.059 -0.027 0.000 0.922 454 L HN 0.087 nan 8.230 nan 0.000 0.443 455 E N 0.198 120.403 120.200 0.008 0.000 2.072 455 E HA -0.172 4.178 4.350 0.001 0.000 0.191 455 E C 2.314 178.930 176.600 0.027 0.000 0.985 455 E CA 1.535 57.945 56.400 0.016 0.000 0.801 455 E CB -0.009 29.697 29.700 0.009 0.000 0.750 455 E HN 0.461 nan 8.360 nan 0.000 0.452 456 S N 0.797 116.511 115.700 0.023 0.000 2.383 456 S HA -0.172 4.299 4.470 0.001 0.000 0.229 456 S C 2.055 176.690 174.600 0.059 0.000 1.030 456 S CA 0.876 59.094 58.200 0.031 0.000 1.002 456 S CB -0.462 62.751 63.200 0.022 0.000 0.829 456 S HN 0.172 nan 8.310 nan 0.000 0.467 457 I N 1.219 121.823 120.570 0.058 0.000 2.252 457 I HA -0.098 4.073 4.170 0.001 0.000 0.245 457 I C 2.425 178.682 176.117 0.233 0.000 1.102 457 I CA 1.047 62.406 61.300 0.098 0.000 1.385 457 I CB -0.330 37.664 38.000 -0.009 0.000 1.064 457 I HN 0.269 nan 8.210 nan 0.000 0.414 458 L N -0.192 121.132 121.223 0.168 0.000 2.056 458 L HA -0.185 4.155 4.340 0.001 0.000 0.207 458 L C 2.447 179.418 176.870 0.168 0.000 1.078 458 L CA 0.781 55.741 54.840 0.200 0.000 0.749 458 L CB -0.415 41.707 42.059 0.104 0.000 0.901 458 L HN 0.272 nan 8.230 nan 0.000 0.433 459 L N 0.306 121.590 121.223 0.101 0.000 2.191 459 L HA -0.225 4.115 4.340 0.001 0.000 0.212 459 L C 2.760 179.674 176.870 0.074 0.000 1.103 459 L CA 2.185 57.058 54.840 0.056 0.000 0.769 459 L CB -1.310 40.755 42.059 0.010 0.000 0.908 459 L HN 0.438 nan 8.230 nan 0.000 0.438 460 Q N -1.237 118.630 119.800 0.112 0.000 2.365 460 Q HA -0.065 4.275 4.340 0.001 0.000 0.203 460 Q C 0.689 176.732 176.000 0.072 0.000 0.929 460 Q CA 0.259 56.117 55.803 0.092 0.000 0.948 460 Q CB -0.860 27.939 28.738 0.101 0.000 1.043 460 Q HN 0.451 nan 8.270 nan 0.000 0.505 461 H N 0.978 120.045 119.070 -0.006 0.000 2.517 461 H HA 0.206 4.762 4.556 0.001 0.000 0.317 461 H C -1.797 173.482 175.328 -0.081 0.000 1.080 461 H CA -2.067 53.883 56.048 -0.164 0.000 1.301 461 H CB 2.263 31.816 29.762 -0.349 0.000 1.425 461 H HN 0.076 nan 8.280 nan 0.000 0.471 462 P HA -0.167 nan 4.420 nan 0.000 0.218 462 P C 0.501 177.877 177.300 0.127 0.000 1.146 462 P CA 1.071 64.162 63.100 -0.015 0.000 0.813 462 P CB 0.622 32.253 31.700 -0.114 0.000 0.778 463 N N -0.536 118.341 118.700 0.295 0.000 2.422 463 N HA 0.092 4.832 4.740 0.001 0.000 0.181 463 N C 0.801 176.405 175.510 0.157 0.000 1.080 463 N CA 0.267 53.424 53.050 0.179 0.000 0.893 463 N CB 0.078 38.639 38.487 0.124 0.000 0.973 463 N HN 0.287 nan 8.380 nan 0.000 0.456 464 I N 1.020 121.699 120.570 0.183 0.000 2.304 464 I HA 0.076 4.246 4.170 0.001 0.000 0.291 464 I C 0.810 177.044 176.117 0.195 0.000 1.018 464 I CA -0.549 60.855 61.300 0.173 0.000 1.260 464 I CB 1.013 39.093 38.000 0.134 0.000 1.390 464 I HN -0.098 nan 8.210 nan 0.000 0.475 465 F N 5.243 125.242 119.950 0.081 0.000 2.179 465 F HA 0.117 4.644 4.527 0.001 0.000 0.292 465 F C 0.556 176.396 175.800 0.068 0.000 1.089 465 F CA 0.994 59.036 58.000 0.070 0.000 1.295 465 F CB 0.327 39.369 39.000 0.069 0.000 1.041 465 F HN 0.419 nan 8.300 nan 0.000 0.487 466 D N -0.398 119.994 120.400 -0.014 0.000 2.655 466 D HA 0.598 5.238 4.640 0.001 0.000 0.229 466 D C -1.726 174.595 176.300 0.035 0.000 1.229 466 D CA -0.169 53.763 54.000 -0.113 0.000 0.807 466 D CB 2.095 42.805 40.800 -0.150 0.000 1.514 466 D HN 0.311 nan 8.370 nan 0.000 0.444 467 A N 0.840 123.665 122.820 0.008 0.000 2.547 467 A HA 0.787 5.107 4.320 0.001 0.000 0.297 467 A C -0.608 176.983 177.584 0.011 0.000 1.056 467 A CA -0.255 51.796 52.037 0.024 0.000 0.688 467 A CB 1.812 20.829 19.000 0.028 0.000 1.282 467 A HN 0.560 nan 8.150 nan 0.000 0.400 468 G N 0.285 109.091 108.800 0.010 0.000 2.590 468 G HA2 0.589 4.549 3.960 0.001 0.000 0.310 468 G HA3 0.589 4.549 3.960 0.001 0.000 0.310 468 G C -1.172 173.727 174.900 -0.002 0.000 1.347 468 G CA -0.455 44.651 45.100 0.008 0.000 0.963 468 G HN 0.953 nan 8.290 nan 0.000 0.494 469 V N 0.932 120.846 119.914 -0.001 0.000 2.483 469 V HA 0.886 5.007 4.120 0.001 0.000 0.295 469 V C 0.406 176.499 176.094 -0.002 0.000 1.035 469 V CA -0.204 62.091 62.300 -0.008 0.000 0.896 469 V CB 1.118 32.934 31.823 -0.011 0.000 0.986 469 V HN 1.242 nan 8.190 nan 0.000 0.447 470 A N 2.847 125.663 122.820 -0.006 0.000 2.602 470 A HA 0.855 5.176 4.320 0.001 0.000 0.290 470 A C -0.166 177.417 177.584 -0.001 0.000 1.114 470 A CA -0.201 51.836 52.037 0.001 0.000 0.683 470 A CB 1.575 20.578 19.000 0.004 0.000 1.281 470 A HN 1.127 nan 8.150 nan 0.000 0.416 471 G N 0.227 109.031 108.800 0.007 0.000 2.350 471 G HA2 0.537 4.498 3.960 0.001 0.000 0.306 471 G HA3 0.537 4.498 3.960 0.001 0.000 0.306 471 G C -0.378 174.529 174.900 0.012 0.000 1.094 471 G CA -0.257 44.851 45.100 0.013 0.000 0.953 471 G HN 1.006 nan 8.290 nan 0.000 0.420 472 L N 5.892 127.119 121.223 0.007 0.000 2.477 472 L HA 0.317 4.657 4.340 0.001 0.000 0.272 472 L C -1.811 175.071 176.870 0.019 0.000 1.157 472 L CA -1.860 52.984 54.840 0.007 0.000 0.889 472 L CB 0.455 42.513 42.059 -0.001 0.000 1.158 472 L HN 0.250 nan 8.230 nan 0.000 0.473 473 P HA 0.059 nan 4.420 nan 0.000 0.266 473 P C -1.174 176.138 177.300 0.021 0.000 1.215 473 P CA 0.202 63.313 63.100 0.017 0.000 0.763 473 P CB 0.489 32.195 31.700 0.010 0.000 0.806 474 D N 2.602 123.018 120.400 0.027 0.000 2.328 474 D HA 0.125 4.765 4.640 0.001 0.000 0.243 474 D C 0.934 177.243 176.300 0.015 0.000 1.324 474 D CA -0.106 53.910 54.000 0.028 0.000 0.966 474 D CB 0.620 41.453 40.800 0.054 0.000 1.324 474 D HN 0.241 nan 8.370 nan 0.000 0.549 475 D N 1.900 122.302 120.400 0.003 0.000 2.149 475 D HA -0.291 4.350 4.640 0.001 0.000 0.194 475 D C 1.495 177.782 176.300 -0.021 0.000 1.001 475 D CA 2.500 56.494 54.000 -0.010 0.000 0.849 475 D CB -0.816 39.979 40.800 -0.009 0.000 0.939 475 D HN 0.643 nan 8.370 nan 0.000 0.449 476 D N -0.499 119.891 120.400 -0.016 0.000 2.123 476 D HA 0.248 4.888 4.640 0.001 0.000 0.196 476 D C 2.287 178.550 176.300 -0.062 0.000 0.992 476 D CA 2.583 56.566 54.000 -0.028 0.000 0.833 476 D CB -0.504 40.289 40.800 -0.011 0.000 0.954 476 D HN 0.888 nan 8.370 nan 0.000 0.455 477 A N -2.222 120.564 122.820 -0.056 0.000 2.267 477 A HA 0.545 4.865 4.320 0.001 0.000 0.213 477 A C 2.393 179.889 177.584 -0.147 0.000 1.192 477 A CA 1.338 53.278 52.037 -0.162 0.000 0.851 477 A CB 0.032 19.018 19.000 -0.024 0.000 0.881 477 A HN 1.612 nan 8.150 nan 0.000 0.494 478 G N -0.803 107.962 108.800 -0.057 0.000 4.365 478 G HA2 -0.260 3.701 3.960 0.001 0.000 0.214 478 G HA3 -0.260 3.701 3.960 0.001 0.000 0.214 478 G C 0.132 175.039 174.900 0.012 0.000 1.450 478 G CA 0.391 45.471 45.100 -0.034 0.000 0.937 478 G HN 0.750 nan 8.290 nan 0.000 0.625 479 E N -0.233 120.001 120.200 0.056 0.000 2.321 479 E HA 0.609 4.959 4.350 0.001 0.000 0.281 479 E C -1.034 175.678 176.600 0.187 0.000 0.910 479 E CA -0.644 55.809 56.400 0.089 0.000 0.770 479 E CB 1.534 31.271 29.700 0.063 0.000 1.225 479 E HN 0.355 nan 8.360 nan 0.000 0.417 480 L N 4.982 126.281 121.223 0.127 0.000 2.296 480 L HA 0.490 4.830 4.340 0.001 0.000 0.286 480 L C -2.326 174.551 176.870 0.012 0.000 1.023 480 L CA -2.175 52.720 54.840 0.093 0.000 0.812 480 L CB 1.534 43.626 42.059 0.055 0.000 1.223 480 L HN 0.320 nan 8.230 nan 0.000 0.421 481 P HA 0.193 nan 4.420 nan 0.000 0.271 481 P C -0.888 176.375 177.300 -0.062 0.000 1.233 481 P CA 0.082 63.153 63.100 -0.049 0.000 0.764 481 P CB 1.137 32.790 31.700 -0.079 0.000 0.825 482 A N 3.025 125.817 122.820 -0.046 0.000 2.485 482 A HA 0.924 5.244 4.320 0.001 0.000 0.292 482 A C -1.307 176.244 177.584 -0.056 0.000 1.147 482 A CA -0.653 51.349 52.037 -0.057 0.000 0.750 482 A CB 1.752 20.723 19.000 -0.048 0.000 1.331 482 A HN 0.466 nan 8.150 nan 0.000 0.419 483 A N -0.309 122.464 122.820 -0.078 0.000 2.515 483 A HA 0.724 5.044 4.320 0.001 0.000 0.298 483 A C -0.616 176.906 177.584 -0.103 0.000 1.059 483 A CA -0.023 51.969 52.037 -0.074 0.000 0.698 483 A CB 1.312 20.270 19.000 -0.070 0.000 1.289 483 A HN 2.197 nan 8.150 nan 0.000 0.404 484 V N 0.045 119.919 119.914 -0.066 0.000 2.398 484 V HA 0.837 4.957 4.120 0.001 0.000 0.286 484 V C -0.549 175.526 176.094 -0.032 0.000 1.026 484 V CA -0.600 61.664 62.300 -0.061 0.000 0.868 484 V CB 0.866 32.682 31.823 -0.012 0.000 0.982 484 V HN 0.693 nan 8.190 nan 0.000 0.443 485 V N 5.016 124.906 119.914 -0.040 0.000 2.604 485 V HA 0.501 4.622 4.120 0.001 0.000 0.305 485 V C -0.118 176.108 176.094 0.220 0.000 1.043 485 V CA -0.584 61.757 62.300 0.069 0.000 0.888 485 V CB 2.087 33.931 31.823 0.035 0.000 0.995 485 V HN 0.810 nan 8.190 nan 0.000 0.429 486 V N 6.006 126.059 119.914 0.232 0.000 2.350 486 V HA 0.392 4.513 4.120 0.001 0.000 0.276 486 V C 0.130 176.407 176.094 0.305 0.000 1.028 486 V CA -0.423 62.046 62.300 0.282 0.000 0.860 486 V CB 1.373 33.416 31.823 0.368 0.000 0.990 486 V HN 0.609 nan 8.190 nan 0.000 0.453 487 L N 3.109 124.469 121.223 0.227 0.000 2.417 487 L HA 0.354 4.694 4.340 0.001 0.000 0.268 487 L C 0.657 177.610 176.870 0.138 0.000 1.158 487 L CA -0.345 54.589 54.840 0.156 0.000 0.819 487 L CB 0.876 42.940 42.059 0.009 0.000 1.112 487 L HN 0.617 nan 8.230 nan 0.000 0.458 488 E N 2.247 122.544 120.200 0.161 0.000 2.415 488 E HA -0.076 4.275 4.350 0.001 0.000 0.263 488 E C 0.005 176.628 176.600 0.039 0.000 0.995 488 E CA 0.130 56.617 56.400 0.145 0.000 0.915 488 E CB 0.268 30.064 29.700 0.160 0.000 0.951 488 E HN 0.282 nan 8.360 nan 0.000 0.449 489 H N 3.604 122.629 119.070 -0.076 0.000 3.094 489 H HA 0.011 4.568 4.556 0.001 0.000 0.320 489 H C 1.102 176.401 175.328 -0.048 0.000 1.000 489 H CA 1.785 57.782 56.048 -0.084 0.000 1.413 489 H CB 0.246 29.941 29.762 -0.112 0.000 1.405 489 H HN 0.826 nan 8.280 nan 0.000 0.586 490 G N 4.792 113.199 108.800 -0.656 0.000 2.234 490 G HA2 -0.233 3.727 3.960 0.001 0.000 0.260 490 G HA3 -0.233 3.727 3.960 0.001 0.000 0.260 490 G C -0.076 174.711 174.900 -0.189 0.000 0.987 490 G CA 0.351 45.210 45.100 -0.402 0.000 0.625 490 G HN 0.608 nan 8.290 nan 0.000 0.532 491 K N 1.302 121.621 120.400 -0.135 0.000 2.213 491 K HA 0.644 4.964 4.320 0.001 0.000 0.270 491 K C 0.110 176.647 176.600 -0.105 0.000 1.002 491 K CA 0.415 56.657 56.287 -0.076 0.000 0.868 491 K CB 1.401 33.894 32.500 -0.012 0.000 1.093 491 K HN 0.463 nan 8.250 nan 0.000 0.454 492 T N 2.028 116.519 114.554 -0.104 0.000 2.824 492 T HA 0.650 5.000 4.350 0.001 0.000 0.280 492 T C -0.365 174.263 174.700 -0.119 0.000 0.995 492 T CA -0.671 61.342 62.100 -0.146 0.000 1.009 492 T CB 0.796 69.584 68.868 -0.134 0.000 0.955 492 T HN 0.599 nan 8.240 nan 0.000 0.452 493 M N 2.958 122.453 119.600 -0.175 0.000 2.365 493 M HA 0.464 4.944 4.480 0.001 0.000 0.287 493 M C -0.164 176.114 176.300 -0.036 0.000 1.154 493 M CA -0.579 54.674 55.300 -0.078 0.000 0.941 493 M CB 2.200 34.782 32.600 -0.030 0.000 1.704 493 M HN 0.782 nan 8.290 nan 0.000 0.479 494 T N -0.939 113.658 114.554 0.072 0.000 2.902 494 T HA 0.317 4.667 4.350 0.001 0.000 0.280 494 T C 0.749 175.629 174.700 0.300 0.000 0.992 494 T CA -0.374 61.832 62.100 0.176 0.000 1.015 494 T CB 1.516 70.437 68.868 0.088 0.000 1.044 494 T HN 0.885 nan 8.240 nan 0.000 0.520 495 E N 0.740 121.121 120.200 0.302 0.000 2.085 495 E HA -0.254 4.097 4.350 0.001 0.000 0.194 495 E C 2.005 178.636 176.600 0.052 0.000 0.994 495 E CA 1.447 57.904 56.400 0.096 0.000 0.801 495 E CB -0.110 29.604 29.700 0.024 0.000 0.743 495 E HN 0.777 nan 8.360 nan 0.000 0.453 496 K N 0.481 120.918 120.400 0.061 0.000 2.032 496 K HA -0.222 4.099 4.320 0.001 0.000 0.209 496 K C 1.995 178.623 176.600 0.046 0.000 1.048 496 K CA 1.919 58.230 56.287 0.040 0.000 0.927 496 K CB -0.030 32.492 32.500 0.037 0.000 0.712 496 K HN 0.173 nan 8.250 nan 0.000 0.441 497 E N 0.368 120.602 120.200 0.057 0.000 2.110 497 E HA -0.187 4.163 4.350 0.001 0.000 0.193 497 E C 2.069 178.705 176.600 0.061 0.000 0.988 497 E CA 1.452 57.883 56.400 0.052 0.000 0.804 497 E CB -0.101 29.615 29.700 0.027 0.000 0.745 497 E HN 0.402 nan 8.360 nan 0.000 0.458 498 I N 0.502 121.101 120.570 0.049 0.000 2.252 498 I HA -0.221 3.949 4.170 0.001 0.000 0.245 498 I C 2.328 178.486 176.117 0.067 0.000 1.102 498 I CA 0.678 62.011 61.300 0.055 0.000 1.385 498 I CB -0.181 37.829 38.000 0.017 0.000 1.064 498 I HN -0.014 nan 8.210 nan 0.000 0.414 499 V N 0.889 120.814 119.914 0.019 0.000 2.295 499 V HA -0.278 3.843 4.120 0.001 0.000 0.246 499 V C 2.091 178.185 176.094 -0.001 0.000 1.049 499 V CA 1.967 64.260 62.300 -0.011 0.000 1.024 499 V CB -0.702 31.105 31.823 -0.026 0.000 0.648 499 V HN 0.374 nan 8.190 nan 0.000 0.447 500 D N -0.758 119.661 120.400 0.031 0.000 2.092 500 D HA -0.225 4.415 4.640 0.001 0.000 0.193 500 D C 1.953 178.291 176.300 0.064 0.000 0.994 500 D CA 1.757 55.782 54.000 0.041 0.000 0.828 500 D CB -0.484 40.355 40.800 0.064 0.000 0.963 500 D HN 0.541 nan 8.370 nan 0.000 0.450 501 Y N 1.821 122.125 120.300 0.006 0.000 2.114 501 Y HA -0.261 4.290 4.550 0.001 0.000 0.282 501 Y C 2.213 178.129 175.900 0.026 0.000 1.165 501 Y CA 1.078 59.200 58.100 0.035 0.000 1.148 501 Y CB -0.621 37.864 38.460 0.043 0.000 0.972 501 Y HN -0.172 nan 8.280 nan 0.000 0.504 502 V N 0.603 120.369 119.914 -0.248 0.000 2.261 502 V HA -0.344 3.777 4.120 0.001 0.000 0.246 502 V C 2.767 178.718 176.094 -0.239 0.000 1.047 502 V CA 2.076 64.192 62.300 -0.307 0.000 1.015 502 V CB -1.733 30.006 31.823 -0.139 0.000 0.642 502 V HN 0.570 nan 8.190 nan 0.000 0.446 503 A N 0.642 123.377 122.820 -0.141 0.000 1.986 503 A HA -0.246 4.074 4.320 0.001 0.000 0.220 503 A C 2.501 180.024 177.584 -0.102 0.000 1.171 503 A CA 2.378 54.353 52.037 -0.104 0.000 0.640 503 A CB -0.798 18.163 19.000 -0.066 0.000 0.811 503 A HN 0.726 nan 8.150 nan 0.000 0.451 504 S N -1.435 114.197 115.700 -0.112 0.000 2.507 504 S HA -0.101 4.370 4.470 0.001 0.000 0.235 504 S C 1.549 176.080 174.600 -0.115 0.000 0.988 504 S CA 1.230 59.382 58.200 -0.081 0.000 0.944 504 S CB -0.132 63.053 63.200 -0.025 0.000 0.762 504 S HN 0.592 nan 8.310 nan 0.000 0.526 505 Q N 0.509 120.192 119.800 -0.196 0.000 2.316 505 Q HA 0.341 4.681 4.340 0.001 0.000 0.235 505 Q C 0.590 176.518 176.000 -0.119 0.000 0.863 505 Q CA 0.363 56.060 55.803 -0.176 0.000 0.939 505 Q CB 1.162 29.723 28.738 -0.296 0.000 1.108 505 Q HN 0.677 nan 8.270 nan 0.000 0.522 506 V N -1.301 118.544 119.914 -0.114 0.000 3.001 506 V HA 0.666 4.787 4.120 0.001 0.000 0.314 506 V C 0.295 176.352 176.094 -0.062 0.000 1.099 506 V CA -1.052 61.200 62.300 -0.081 0.000 0.989 506 V CB 1.281 33.051 31.823 -0.087 0.000 1.040 506 V HN 0.164 nan 8.190 nan 0.000 0.434 507 T N -0.963 113.565 114.554 -0.043 0.000 2.855 507 T HA 0.364 4.714 4.350 0.001 0.000 0.314 507 T C 1.543 176.223 174.700 -0.033 0.000 1.077 507 T CA 0.748 62.831 62.100 -0.029 0.000 1.095 507 T CB 0.482 69.342 68.868 -0.014 0.000 0.987 507 T HN 1.689 nan 8.240 nan 0.000 0.546 508 T N 0.992 115.534 114.554 -0.020 0.000 2.685 508 T HA -0.066 4.285 4.350 0.001 0.000 0.268 508 T C 2.233 176.915 174.700 -0.031 0.000 1.034 508 T CA 2.687 64.774 62.100 -0.022 0.000 1.149 508 T CB -1.041 67.830 68.868 0.005 0.000 0.860 508 T HN 1.029 nan 8.240 nan 0.000 0.449 509 A N 0.753 123.583 122.820 0.017 0.000 2.019 509 A HA -0.002 4.319 4.320 0.001 0.000 0.219 509 A C 2.311 179.868 177.584 -0.044 0.000 1.164 509 A CA 1.740 53.818 52.037 0.068 0.000 0.644 509 A CB -0.205 18.867 19.000 0.121 0.000 0.805 509 A HN 0.634 nan 8.150 nan 0.000 0.449 510 K N -0.173 120.188 120.400 -0.064 0.000 2.404 510 K HA 0.142 4.463 4.320 0.001 0.000 0.194 510 K C 0.753 177.276 176.600 -0.128 0.000 1.023 510 K CA 0.456 56.693 56.287 -0.083 0.000 1.094 510 K CB 0.012 32.481 32.500 -0.052 0.000 0.841 510 K HN 0.415 nan 8.250 nan 0.000 0.523 511 K N 1.429 121.730 120.400 -0.166 0.000 2.469 511 K HA 0.014 4.335 4.320 0.001 0.000 0.274 511 K C 0.270 176.759 176.600 -0.185 0.000 0.983 511 K CA 0.077 56.265 56.287 -0.164 0.000 0.974 511 K CB -0.175 32.226 32.500 -0.165 0.000 0.913 511 K HN 0.179 nan 8.250 nan 0.000 0.493 512 L N 3.651 124.792 121.223 -0.137 0.000 2.416 512 L HA 0.056 4.397 4.340 0.001 0.000 0.243 512 L C 1.653 178.447 176.870 -0.126 0.000 1.373 512 L CA 0.194 54.961 54.840 -0.121 0.000 1.227 512 L CB -0.268 41.737 42.059 -0.090 0.000 1.428 512 L HN 0.763 nan 8.230 nan 0.000 0.425 513 R N 0.615 121.009 120.500 -0.176 0.000 2.237 513 R HA -0.074 4.266 4.340 0.001 0.000 0.219 513 R C 1.950 178.197 176.300 -0.089 0.000 1.080 513 R CA 0.997 57.006 56.100 -0.151 0.000 0.995 513 R CB 0.046 30.200 30.300 -0.242 0.000 0.875 513 R HN 0.612 nan 8.270 nan 0.000 0.462 514 G N -0.015 108.737 108.800 -0.081 0.000 2.880 514 G HA2 0.281 4.241 3.960 0.001 0.000 0.209 514 G HA3 0.281 4.241 3.960 0.001 0.000 0.209 514 G C 0.534 175.401 174.900 -0.055 0.000 1.157 514 G CA 0.381 45.452 45.100 -0.049 0.000 0.779 514 G HN 0.530 nan 8.290 nan 0.000 0.539 515 G N -1.509 107.248 108.800 -0.072 0.000 2.698 515 G HA2 0.017 3.977 3.960 0.001 0.000 0.225 515 G HA3 0.017 3.977 3.960 0.001 0.000 0.225 515 G C -0.821 174.003 174.900 -0.126 0.000 1.345 515 G CA -0.389 44.660 45.100 -0.086 0.000 0.871 515 G HN 0.810 nan 8.290 nan 0.000 0.540 516 V N -0.446 119.356 119.914 -0.187 0.000 2.604 516 V HA 0.672 4.793 4.120 0.001 0.000 0.305 516 V C 0.194 176.074 176.094 -0.357 0.000 1.043 516 V CA -0.669 61.434 62.300 -0.328 0.000 0.888 516 V CB 1.846 33.344 31.823 -0.541 0.000 0.995 516 V HN 1.061 nan 8.190 nan 0.000 0.429 517 V N 4.669 124.390 119.914 -0.322 0.000 2.407 517 V HA 0.449 4.570 4.120 0.001 0.000 0.291 517 V C -0.651 175.303 176.094 -0.233 0.000 1.018 517 V CA -0.544 61.634 62.300 -0.204 0.000 0.842 517 V CB 1.329 33.105 31.823 -0.079 0.000 0.996 517 V HN 0.653 nan 8.190 nan 0.000 0.426 518 F N 5.235 125.193 119.950 0.013 0.000 2.471 518 F HA 0.465 4.993 4.527 0.001 0.000 0.365 518 F C 0.595 176.408 175.800 0.023 0.000 1.095 518 F CA -0.086 57.924 58.000 0.018 0.000 1.174 518 F CB 1.025 40.032 39.000 0.010 0.000 1.105 518 F HN 0.417 nan 8.300 nan 0.000 0.535 519 V N -0.061 119.974 119.914 0.201 0.000 3.204 519 V HA 0.562 4.682 4.120 0.001 0.000 0.316 519 V C 0.103 176.283 176.094 0.142 0.000 1.160 519 V CA -0.729 61.652 62.300 0.135 0.000 1.044 519 V CB 2.088 33.967 31.823 0.093 0.000 1.136 519 V HN 0.572 nan 8.190 nan 0.000 0.455 520 D N 0.128 120.590 120.400 0.104 0.000 2.388 520 D HA 0.298 4.939 4.640 0.001 0.000 0.208 520 D C 0.686 177.052 176.300 0.109 0.000 1.035 520 D CA 1.513 55.566 54.000 0.089 0.000 0.875 520 D CB 0.961 41.792 40.800 0.052 0.000 0.984 520 D HN 0.953 nan 8.370 nan 0.000 0.508 521 E N 0.365 120.630 120.200 0.108 0.000 2.321 521 E HA 0.491 4.841 4.350 0.001 0.000 0.278 521 E C -1.137 175.523 176.600 0.099 0.000 0.902 521 E CA -0.690 55.782 56.400 0.119 0.000 0.758 521 E CB 1.924 31.679 29.700 0.091 0.000 1.213 521 E HN -0.107 nan 8.360 nan 0.000 0.426 522 V N 4.445 124.420 119.914 0.102 0.000 2.385 522 V HA 0.397 4.517 4.120 0.001 0.000 0.269 522 V C -1.772 174.359 176.094 0.062 0.000 1.043 522 V CA -1.168 61.176 62.300 0.072 0.000 0.906 522 V CB 0.595 32.455 31.823 0.061 0.000 0.995 522 V HN 0.822 nan 8.190 nan 0.000 0.467 530 L N 2.508 123.762 121.223 0.051 0.000 2.433 530 L HA 0.194 4.534 4.340 0.001 0.000 0.275 530 L C 0.303 177.202 176.870 0.050 0.000 1.128 530 L CA -0.576 54.291 54.840 0.045 0.000 0.875 530 L CB 0.949 43.029 42.059 0.035 0.000 1.171 530 L HN 0.863 nan 8.230 nan 0.000 0.463 531 D N 3.213 123.644 120.400 0.051 0.000 2.441 531 D HA 0.152 4.792 4.640 0.001 0.000 0.243 531 D C 0.975 177.300 176.300 0.042 0.000 1.257 531 D CA 0.072 54.103 54.000 0.052 0.000 1.027 531 D CB 1.323 42.156 40.800 0.054 0.000 1.084 531 D HN 0.596 nan 8.370 nan 0.000 0.514 532 A N 4.278 127.122 122.820 0.040 0.000 1.933 532 A HA -0.174 4.146 4.320 0.001 0.000 0.218 532 A C 2.365 179.966 177.584 0.028 0.000 1.175 532 A CA 2.130 54.186 52.037 0.031 0.000 0.628 532 A CB -0.560 18.458 19.000 0.031 0.000 0.814 532 A HN 0.573 nan 8.150 nan 0.000 0.444 533 R N 0.175 120.694 120.500 0.032 0.000 2.081 533 R HA -0.090 4.250 4.340 0.001 0.000 0.235 533 R C 2.199 178.515 176.300 0.026 0.000 1.131 533 R CA 2.278 58.395 56.100 0.028 0.000 0.960 533 R CB -0.945 29.374 30.300 0.031 0.000 0.856 533 R HN 0.653 nan 8.270 nan 0.000 0.436 534 K N 0.132 120.551 120.400 0.030 0.000 2.057 534 K HA 0.100 4.420 4.320 0.001 0.000 0.206 534 K C 2.089 178.704 176.600 0.024 0.000 1.050 534 K CA 1.382 57.686 56.287 0.029 0.000 0.935 534 K CB -0.238 32.283 32.500 0.034 0.000 0.715 534 K HN 0.440 nan 8.250 nan 0.000 0.439 535 I N 0.495 121.079 120.570 0.024 0.000 2.208 535 I HA -0.313 3.857 4.170 0.001 0.000 0.245 535 I C 2.615 178.738 176.117 0.011 0.000 1.097 535 I CA 1.353 62.663 61.300 0.017 0.000 1.363 535 I CB -0.291 37.718 38.000 0.016 0.000 1.051 535 I HN 0.232 nan 8.210 nan 0.000 0.413 536 R N 1.195 121.702 120.500 0.013 0.000 2.073 536 R HA -0.205 4.136 4.340 0.001 0.000 0.234 536 R C 2.517 178.822 176.300 0.009 0.000 1.134 536 R CA 2.066 58.172 56.100 0.010 0.000 0.952 536 R CB -0.373 29.934 30.300 0.012 0.000 0.850 536 R HN 0.409 nan 8.270 nan 0.000 0.433 537 E N 1.186 121.394 120.200 0.013 0.000 2.049 537 E HA -0.202 4.148 4.350 0.001 0.000 0.198 537 E C 1.903 178.509 176.600 0.011 0.000 1.007 537 E CA 1.837 58.245 56.400 0.013 0.000 0.809 537 E CB -0.897 28.813 29.700 0.016 0.000 0.749 537 E HN 0.582 nan 8.360 nan 0.000 0.450 538 I N 0.154 120.731 120.570 0.012 0.000 2.264 538 I HA -0.206 3.964 4.170 0.001 0.000 0.248 538 I C 2.798 178.917 176.117 0.004 0.000 1.111 538 I CA 1.118 62.425 61.300 0.011 0.000 1.382 538 I CB -0.251 37.757 38.000 0.014 0.000 1.060 538 I HN 0.202 nan 8.210 nan 0.000 0.418 539 L N 0.422 121.644 121.223 -0.001 0.000 2.046 539 L HA -0.196 4.145 4.340 0.001 0.000 0.208 539 L C 2.517 179.385 176.870 -0.004 0.000 1.077 539 L CA 1.501 56.335 54.840 -0.009 0.000 0.747 539 L CB -0.348 41.704 42.059 -0.012 0.000 0.896 539 L HN 0.217 nan 8.230 nan 0.000 0.432 540 I N 0.013 120.584 120.570 0.001 0.000 2.439 540 I HA -0.247 3.923 4.170 0.001 0.000 0.251 540 I C 3.094 179.214 176.117 0.005 0.000 1.139 540 I CA 1.208 62.510 61.300 0.004 0.000 1.438 540 I CB -0.587 37.416 38.000 0.006 0.000 1.085 540 I HN 0.199 nan 8.210 nan 0.000 0.427 541 K N 1.168 121.572 120.400 0.007 0.000 2.057 541 K HA 0.025 4.345 4.320 0.001 0.000 0.206 541 K C 2.223 178.829 176.600 0.009 0.000 1.050 541 K CA 1.524 57.816 56.287 0.009 0.000 0.935 541 K CB -1.083 31.424 32.500 0.011 0.000 0.715 541 K HN 0.448 nan 8.250 nan 0.000 0.439 542 A N 0.636 123.460 122.820 0.007 0.000 1.935 542 A HA 0.022 4.342 4.320 0.001 0.000 0.214 542 A C 2.235 179.821 177.584 0.004 0.000 1.178 542 A CA 1.304 53.345 52.037 0.007 0.000 0.640 542 A CB 0.082 19.085 19.000 0.006 0.000 0.825 542 A HN 0.354 nan 8.150 nan 0.000 0.447 543 K N -0.789 119.610 120.400 -0.001 0.000 2.056 543 K HA 0.353 4.673 4.320 0.001 0.000 0.205 543 K C 0.908 177.509 176.600 0.002 0.000 1.035 543 K CA 1.536 57.821 56.287 -0.003 0.000 0.955 543 K CB -0.762 31.732 32.500 -0.009 0.000 0.769 543 K HN 0.662 nan 8.250 nan 0.000 0.447 544 K N 0.000 120.402 120.400 0.003 0.000 2.780 544 K HA 0.000 4.320 4.320 0.001 0.000 0.191 544 K CA 0.000 56.290 56.287 0.005 0.000 0.838 544 K CB 0.000 32.503 32.500 0.005 0.000 1.064 544 K HN 0.000 nan 8.250 nan 0.000 0.543