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 3oe1_1_B DATA FIRST_RESID 2 DATA SEQUENCE SYTVGTYLAE RLVQIGLKHH FAVAGDYNLV LLDNLLLNKN MEQVYCCNEL DATA SEQUENCE NCGFSAEGYA RAKGAAAAVV TYSVGALSAF DAIGGAYAEN LPVILISGAP DATA SEQUENCE NNNDHAAGHV LHHALGKTDY HYQLEMAKNI TAAAEAIYTP EEAPAKIDHV DATA SEQUENCE IKTALREKKP VYLEIACNIA SMPCAAPGPA SALFNDEASD EASLNAAVEE DATA SEQUENCE TLKFIANRDK VAVLVGSKLR AAGAEEAAVK FADALGGAVA TMAAAKSFFP DATA SEQUENCE EENPHYIGTS WGEVSYPGVE KTMKEADAVI ALAPVFNDYS TTGWTDIPDP DATA SEQUENCE KKLVLAEPRS VVVNGIRFPS VHLKDYLTRL AQKVSKKTGA LDFFKSLNAX DATA SEQUENCE XXXXAAPADP SAPLVNAEIA RQVEALLTPN TTVIAETGDS WFNAQRMKLP DATA SEQUENCE NGARVEYEMQ WGHIGWSVPA AFGYAVGAPE RRNILMVGDG SFQLTAQEVA DATA SEQUENCE QMVRLKLPVI IFLINNYGYT IDVMIHDGPY NNIKNWDYAG LMEVFNGNGG DATA SEQUENCE YDSGAGKGLK AKTGGELAEA IKVALANTDG PTLIECFIGR EDCTEELVKW DATA SEQUENCE GKRVAAANSR KPVNK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.543 174.600 -0.096 0.000 1.055 2 S CA 0.000 58.209 58.200 0.015 0.000 1.107 2 S CB 0.000 63.287 63.200 0.144 0.000 0.593 3 Y N 2.034 122.362 120.300 0.046 0.000 2.509 3 Y HA 0.660 5.230 4.550 0.034 0.000 0.341 3 Y C 0.716 176.652 175.900 0.060 0.000 1.038 3 Y CA -0.258 57.883 58.100 0.068 0.000 1.089 3 Y CB 1.771 40.307 38.460 0.128 0.000 1.241 3 Y HN 0.659 nan 8.280 nan 0.000 0.468 4 T N -2.876 111.806 114.554 0.214 0.000 2.940 4 T HA 0.386 4.756 4.350 0.034 0.000 0.288 4 T C 0.744 175.539 174.700 0.157 0.000 1.045 4 T CA -0.747 61.432 62.100 0.132 0.000 1.018 4 T CB 1.003 69.913 68.868 0.070 0.000 1.151 4 T HN 0.322 nan 8.240 nan 0.000 0.529 5 V N 1.494 121.454 119.914 0.077 0.000 2.278 5 V HA -0.111 4.029 4.120 0.034 0.000 0.251 5 V C 2.880 179.033 176.094 0.098 0.000 1.062 5 V CA 2.657 64.987 62.300 0.049 0.000 1.038 5 V CB -1.571 30.254 31.823 0.003 0.000 0.646 5 V HN 1.106 nan 8.190 nan 0.000 0.447 6 G N 0.035 108.882 108.800 0.077 0.000 2.421 6 G HA2 -0.271 3.709 3.960 0.034 0.000 0.216 6 G HA3 -0.271 3.709 3.960 0.034 0.000 0.216 6 G C 1.765 176.717 174.900 0.087 0.000 1.171 6 G CA 1.643 46.779 45.100 0.060 0.000 0.775 6 G HN 0.591 nan 8.290 nan 0.000 0.543 7 T N -2.634 111.996 114.554 0.127 0.000 2.951 7 T HA -0.069 4.301 4.350 0.034 0.000 0.268 7 T C 2.061 176.941 174.700 0.300 0.000 1.073 7 T CA 1.128 63.319 62.100 0.153 0.000 1.134 7 T CB -0.359 68.551 68.868 0.070 0.000 0.884 7 T HN 0.290 nan 8.240 nan 0.000 0.479 8 Y N 1.739 122.161 120.300 0.204 0.000 2.089 8 Y HA -0.016 4.555 4.550 0.035 0.000 0.282 8 Y C 2.248 178.155 175.900 0.012 0.000 1.139 8 Y CA 1.443 59.597 58.100 0.089 0.000 1.123 8 Y CB -0.632 37.835 38.460 0.013 0.000 0.980 8 Y HN 0.202 nan 8.280 nan 0.000 0.493 9 L N 0.774 122.126 121.223 0.215 0.000 2.013 9 L HA -0.207 4.154 4.340 0.034 0.000 0.212 9 L C 2.392 179.240 176.870 -0.037 0.000 1.073 9 L CA 2.318 57.201 54.840 0.072 0.000 0.753 9 L CB -1.401 40.680 42.059 0.036 0.000 0.890 9 L HN 0.306 nan 8.230 nan 0.000 0.432 10 A N -0.938 121.865 122.820 -0.028 0.000 1.902 10 A HA -0.248 4.092 4.320 0.034 0.000 0.217 10 A C 2.260 179.816 177.584 -0.046 0.000 1.181 10 A CA 1.722 53.723 52.037 -0.061 0.000 0.623 10 A CB -0.749 18.232 19.000 -0.032 0.000 0.818 10 A HN 0.553 nan 8.150 nan 0.000 0.443 11 E N -0.134 120.048 120.200 -0.030 0.000 2.077 11 E HA -0.167 4.204 4.350 0.034 0.000 0.193 11 E C 2.183 178.704 176.600 -0.131 0.000 0.989 11 E CA 1.189 57.556 56.400 -0.055 0.000 0.800 11 E CB -0.135 29.541 29.700 -0.039 0.000 0.746 11 E HN 0.361 nan 8.360 nan 0.000 0.452 12 R N 0.033 120.410 120.500 -0.205 0.000 2.081 12 R HA -0.048 4.313 4.340 0.034 0.000 0.235 12 R C 2.503 178.741 176.300 -0.103 0.000 1.131 12 R CA 1.030 57.017 56.100 -0.189 0.000 0.960 12 R CB -0.972 29.207 30.300 -0.201 0.000 0.856 12 R HN 0.332 nan 8.270 nan 0.000 0.436 13 L N 0.108 121.283 121.223 -0.079 0.000 2.046 13 L HA -0.138 4.223 4.340 0.034 0.000 0.208 13 L C 2.463 179.327 176.870 -0.009 0.000 1.077 13 L CA 0.943 55.758 54.840 -0.043 0.000 0.747 13 L CB -0.620 41.405 42.059 -0.057 0.000 0.896 13 L HN -0.072 nan 8.230 nan 0.000 0.432 14 V N -0.322 119.581 119.914 -0.018 0.000 2.343 14 V HA -0.311 3.829 4.120 0.034 0.000 0.247 14 V C 2.453 178.559 176.094 0.022 0.000 1.051 14 V CA 1.726 64.026 62.300 0.001 0.000 1.036 14 V CB -0.547 31.270 31.823 -0.009 0.000 0.654 14 V HN 0.506 nan 8.190 nan 0.000 0.451 15 Q N -0.304 119.500 119.800 0.007 0.000 2.291 15 Q HA -0.134 4.226 4.340 0.034 0.000 0.206 15 Q C 2.068 178.160 176.000 0.153 0.000 0.976 15 Q CA 1.770 57.602 55.803 0.048 0.000 0.875 15 Q CB -0.218 28.519 28.738 -0.002 0.000 0.927 15 Q HN 0.876 nan 8.270 nan 0.000 0.450 16 I N -5.039 115.595 120.570 0.108 0.000 3.578 16 I HA 0.301 4.492 4.170 0.034 0.000 0.295 16 I C 1.074 177.348 176.117 0.261 0.000 1.280 16 I CA 0.794 62.214 61.300 0.201 0.000 1.347 16 I CB 0.318 38.299 38.000 -0.032 0.000 1.051 16 I HN 0.153 nan 8.210 nan 0.000 0.460 17 G N 1.439 110.333 108.800 0.156 0.000 2.192 17 G HA2 -0.141 3.840 3.960 0.034 0.000 0.193 17 G HA3 -0.141 3.840 3.960 0.034 0.000 0.193 17 G C -0.249 174.723 174.900 0.120 0.000 0.999 17 G CA -0.481 44.688 45.100 0.115 0.000 0.659 17 G HN 0.179 nan 8.290 nan 0.000 0.503 18 L N 1.131 122.434 121.223 0.132 0.000 2.410 18 L HA 0.476 4.837 4.340 0.034 0.000 0.273 18 L C 1.399 178.333 176.870 0.105 0.000 1.144 18 L CA 0.281 55.231 54.840 0.183 0.000 0.863 18 L CB 1.122 43.258 42.059 0.129 0.000 1.140 18 L HN -0.031 nan 8.230 nan 0.000 0.463 19 K N 2.008 122.504 120.400 0.160 0.000 2.355 19 K HA 0.237 4.578 4.320 0.034 0.000 0.198 19 K C -0.303 176.013 176.600 -0.473 0.000 1.039 19 K CA 0.117 56.345 56.287 -0.099 0.000 1.075 19 K CB 0.318 32.775 32.500 -0.072 0.000 0.870 19 K HN 0.608 nan 8.250 nan 0.000 0.540 20 H N -0.645 118.324 119.070 -0.169 0.000 2.985 20 H HA 0.364 4.940 4.556 0.034 0.000 0.360 20 H C -0.375 174.598 175.328 -0.592 0.000 1.221 20 H CA -0.961 54.779 56.048 -0.513 0.000 1.121 20 H CB 1.318 30.587 29.762 -0.822 0.000 1.854 20 H HN 0.041 nan 8.280 nan 0.000 0.551 21 H N 0.010 118.753 119.070 -0.546 0.000 2.895 21 H HA 0.463 5.040 4.556 0.035 0.000 0.373 21 H C -1.620 173.341 175.328 -0.613 0.000 1.174 21 H CA -0.920 54.832 56.048 -0.494 0.000 1.144 21 H CB 1.175 30.810 29.762 -0.210 0.000 1.793 21 H HN 0.366 nan 8.280 nan 0.000 0.551 22 F N 0.830 120.732 119.950 -0.081 0.000 2.450 22 F HA 0.718 5.266 4.527 0.034 0.000 0.332 22 F C 0.335 176.162 175.800 0.045 0.000 1.093 22 F CA -0.396 57.562 58.000 -0.069 0.000 1.003 22 F CB 2.114 41.102 39.000 -0.019 0.000 1.151 22 F HN 0.874 nan 8.300 nan 0.000 0.474 23 A N 1.279 124.237 122.820 0.230 0.000 2.594 23 A HA 0.838 5.179 4.320 0.034 0.000 0.295 23 A C -1.937 175.812 177.584 0.276 0.000 1.071 23 A CA -0.753 51.434 52.037 0.250 0.000 0.685 23 A CB 1.595 20.761 19.000 0.276 0.000 1.285 23 A HN 0.492 nan 8.150 nan 0.000 0.405 24 V N 1.348 121.384 119.914 0.203 0.000 2.443 24 V HA 0.647 4.788 4.120 0.034 0.000 0.293 24 V C 0.714 176.883 176.094 0.125 0.000 1.021 24 V CA -0.305 62.087 62.300 0.153 0.000 0.848 24 V CB 1.079 32.959 31.823 0.096 0.000 0.998 24 V HN 1.496 nan 8.190 nan 0.000 0.424 25 A N 3.511 126.384 122.820 0.088 0.000 2.466 25 A HA 0.784 5.124 4.320 0.034 0.000 0.238 25 A C 0.638 178.268 177.584 0.077 0.000 1.074 25 A CA 0.637 52.713 52.037 0.066 0.000 0.774 25 A CB 0.396 19.388 19.000 -0.012 0.000 1.015 25 A HN 1.501 nan 8.150 nan 0.000 0.498 26 G N 0.022 108.883 108.800 0.102 0.000 2.667 26 G HA2 0.445 4.426 3.960 0.034 0.000 0.294 26 G HA3 0.445 4.426 3.960 0.034 0.000 0.294 26 G C -0.026 174.949 174.900 0.124 0.000 1.467 26 G CA 0.272 45.456 45.100 0.141 0.000 0.852 26 G HN 0.735 nan 8.290 nan 0.000 0.521 27 D N -0.282 120.164 120.400 0.076 0.000 2.265 27 D HA -0.191 4.469 4.640 0.034 0.000 0.208 27 D C 1.062 177.355 176.300 -0.012 0.000 0.977 27 D CA 1.250 55.235 54.000 -0.024 0.000 0.871 27 D CB -0.075 40.645 40.800 -0.132 0.000 0.925 27 D HN 0.373 nan 8.370 nan 0.000 0.485 28 Y N 0.812 121.202 120.300 0.149 0.000 2.583 28 Y HA 0.043 4.616 4.550 0.039 0.000 0.293 28 Y C 1.366 177.315 175.900 0.082 0.000 1.157 28 Y CA 0.982 59.145 58.100 0.105 0.000 1.315 28 Y CB -0.194 38.340 38.460 0.125 0.000 1.021 28 Y HN 0.224 nan 8.280 nan 0.000 0.536 29 N N -1.753 117.075 118.700 0.213 0.000 2.143 29 N HA 0.039 4.800 4.740 0.034 0.000 0.229 29 N C 0.808 176.383 175.510 0.108 0.000 1.294 29 N CA 0.147 53.287 53.050 0.149 0.000 0.883 29 N CB -0.880 37.696 38.487 0.147 0.000 1.148 29 N HN 0.214 nan 8.380 nan 0.000 0.511 30 L N -0.017 121.259 121.223 0.088 0.000 2.012 30 L HA -0.077 4.283 4.340 0.034 0.000 0.210 30 L C 1.852 178.757 176.870 0.057 0.000 1.073 30 L CA 1.238 56.115 54.840 0.061 0.000 0.748 30 L CB -0.549 41.530 42.059 0.033 0.000 0.891 30 L HN 0.027 nan 8.230 nan 0.000 0.431 31 V N -0.118 119.828 119.914 0.053 0.000 2.358 31 V HA -0.269 3.871 4.120 0.034 0.000 0.246 31 V C 2.424 178.547 176.094 0.048 0.000 1.047 31 V CA 1.429 63.756 62.300 0.044 0.000 1.035 31 V CB -0.481 31.365 31.823 0.040 0.000 0.658 31 V HN 0.297 nan 8.190 nan 0.000 0.452 32 L N -0.056 121.200 121.223 0.056 0.000 1.989 32 L HA -0.176 4.185 4.340 0.034 0.000 0.211 32 L C 2.247 179.150 176.870 0.054 0.000 1.071 32 L CA 1.950 56.819 54.840 0.048 0.000 0.749 32 L CB -0.668 41.420 42.059 0.048 0.000 0.890 32 L HN 0.201 nan 8.230 nan 0.000 0.431 33 L N -0.789 120.483 121.223 0.082 0.000 2.042 33 L HA -0.254 4.106 4.340 0.034 0.000 0.210 33 L C 2.354 179.287 176.870 0.105 0.000 1.076 33 L CA 1.472 56.386 54.840 0.122 0.000 0.749 33 L CB -0.961 41.192 42.059 0.156 0.000 0.893 33 L HN 0.313 nan 8.230 nan 0.000 0.432 34 D N 0.180 120.625 120.400 0.075 0.000 2.106 34 D HA -0.212 4.449 4.640 0.034 0.000 0.191 34 D C 1.980 178.307 176.300 0.046 0.000 0.997 34 D CA 1.284 55.317 54.000 0.055 0.000 0.834 34 D CB -0.373 40.450 40.800 0.038 0.000 0.956 34 D HN 0.311 nan 8.370 nan 0.000 0.448 35 N N 0.274 118.997 118.700 0.038 0.000 2.104 35 N HA -0.112 4.649 4.740 0.034 0.000 0.190 35 N C 2.134 177.658 175.510 0.023 0.000 1.024 35 N CA 0.545 53.611 53.050 0.027 0.000 0.853 35 N CB -0.179 38.325 38.487 0.028 0.000 1.008 35 N HN 0.242 nan 8.380 nan 0.000 0.424 36 L N 0.987 122.224 121.223 0.025 0.000 2.131 36 L HA -0.111 4.249 4.340 0.034 0.000 0.210 36 L C 2.189 179.099 176.870 0.068 0.000 1.092 36 L CA 0.692 55.535 54.840 0.005 0.000 0.759 36 L CB -0.317 41.705 42.059 -0.062 0.000 0.903 36 L HN 0.141 nan 8.230 nan 0.000 0.435 37 L N -0.558 120.714 121.223 0.082 0.000 2.376 37 L HA -0.142 4.219 4.340 0.034 0.000 0.219 37 L C 2.243 179.131 176.870 0.030 0.000 1.133 37 L CA 0.447 55.329 54.840 0.069 0.000 0.816 37 L CB -0.174 41.929 42.059 0.074 0.000 0.933 37 L HN 0.300 nan 8.230 nan 0.000 0.449 38 L N -0.790 120.443 121.223 0.016 0.000 2.275 38 L HA -0.102 4.258 4.340 0.034 0.000 0.215 38 L C 1.186 178.045 176.870 -0.018 0.000 1.119 38 L CA 0.257 55.093 54.840 -0.008 0.000 0.790 38 L CB -0.516 41.529 42.059 -0.023 0.000 0.919 38 L HN 0.320 nan 8.230 nan 0.000 0.443 39 N N 1.404 120.101 118.700 -0.006 0.000 2.470 39 N HA -0.003 4.757 4.740 0.034 0.000 0.268 39 N C 0.310 175.810 175.510 -0.017 0.000 1.136 39 N CA 0.233 53.277 53.050 -0.010 0.000 0.961 39 N CB 1.059 39.547 38.487 0.001 0.000 1.067 39 N HN 0.130 nan 8.380 nan 0.000 0.468 40 K N 2.399 122.785 120.400 -0.023 0.000 2.476 40 K HA 0.148 4.489 4.320 0.034 0.000 0.196 40 K C 0.057 176.634 176.600 -0.038 0.000 1.025 40 K CA 0.081 56.351 56.287 -0.029 0.000 1.138 40 K CB 0.412 32.896 32.500 -0.027 0.000 0.860 40 K HN 0.469 nan 8.250 nan 0.000 0.515 41 N N 0.360 119.036 118.700 -0.039 0.000 2.177 41 N HA 0.119 4.879 4.740 0.034 0.000 0.218 41 N C -0.520 174.942 175.510 -0.080 0.000 1.182 41 N CA 0.087 53.107 53.050 -0.050 0.000 0.882 41 N CB 0.914 39.382 38.487 -0.031 0.000 1.052 41 N HN 0.147 nan 8.380 nan 0.000 0.519 42 M N 0.781 120.329 119.600 -0.086 0.000 2.484 42 M HA 0.284 4.785 4.480 0.034 0.000 0.289 42 M C -1.583 174.615 176.300 -0.170 0.000 1.206 42 M CA -0.403 54.822 55.300 -0.125 0.000 0.892 42 M CB 2.622 35.214 32.600 -0.014 0.000 1.712 42 M HN -0.166 nan 8.290 nan 0.000 0.462 43 E N 1.723 121.728 120.200 -0.324 0.000 2.227 43 E HA 0.359 4.729 4.350 0.034 0.000 0.268 43 E C -1.477 174.810 176.600 -0.521 0.000 0.990 43 E CA -0.795 55.405 56.400 -0.333 0.000 0.856 43 E CB 1.987 31.494 29.700 -0.322 0.000 1.159 43 E HN 0.540 nan 8.360 nan 0.000 0.401 44 Q N 1.746 121.214 119.800 -0.552 0.000 2.348 44 Q HA 0.348 4.709 4.340 0.034 0.000 0.265 44 Q C -1.633 173.800 176.000 -0.944 0.000 0.998 44 Q CA -0.556 54.708 55.803 -0.899 0.000 0.831 44 Q CB 1.236 29.654 28.738 -0.535 0.000 1.251 44 Q HN 0.276 nan 8.270 nan 0.000 0.456 45 V N 5.280 124.653 119.914 -0.903 0.000 2.370 45 V HA 0.339 4.479 4.120 0.034 0.000 0.283 45 V C -0.870 174.967 176.094 -0.428 0.000 1.023 45 V CA -0.664 61.262 62.300 -0.623 0.000 0.857 45 V CB 0.489 32.040 31.823 -0.454 0.000 0.985 45 V HN 0.657 nan 8.190 nan 0.000 0.443 46 Y N 2.653 123.003 120.300 0.083 0.000 2.320 46 Y HA 0.624 5.194 4.550 0.034 0.000 0.324 46 Y C 0.579 176.546 175.900 0.113 0.000 1.190 46 Y CA -0.748 57.404 58.100 0.088 0.000 1.215 46 Y CB 1.076 39.554 38.460 0.031 0.000 1.221 46 Y HN 0.565 nan 8.280 nan 0.000 0.486 47 C N -0.045 119.400 119.300 0.242 0.000 2.913 47 C HA 0.360 4.841 4.460 0.034 0.000 0.322 47 C C 1.446 176.461 174.990 0.042 0.000 1.292 47 C CA -0.725 58.355 59.018 0.103 0.000 1.649 47 C CB 1.531 29.343 27.740 0.120 0.000 2.139 47 C HN 1.098 nan 8.230 nan 0.000 0.475 48 C N 1.383 120.665 119.300 -0.030 0.000 2.476 48 C HA 0.022 4.503 4.460 0.034 0.000 0.278 48 C C 0.985 175.975 174.990 0.000 0.000 1.274 48 C CA 0.972 59.969 59.018 -0.034 0.000 1.713 48 C CB -1.481 26.214 27.740 -0.076 0.000 2.039 48 C HN 1.003 nan 8.230 nan 0.000 0.484 49 N N -0.659 118.046 118.700 0.009 0.000 2.902 49 N HA 0.294 5.055 4.740 0.034 0.000 0.268 49 N C -0.397 175.126 175.510 0.021 0.000 1.450 49 N CA -0.570 52.491 53.050 0.019 0.000 0.819 49 N CB 0.453 38.954 38.487 0.024 0.000 1.540 49 N HN -0.115 nan 8.380 nan 0.000 0.545 50 E N -0.572 119.633 120.200 0.008 0.000 2.230 50 E HA 0.108 4.478 4.350 0.034 0.000 0.192 50 E C 1.349 177.924 176.600 -0.041 0.000 0.987 50 E CA 0.158 56.553 56.400 -0.008 0.000 0.841 50 E CB -0.147 29.536 29.700 -0.029 0.000 0.783 50 E HN 0.502 nan 8.360 nan 0.000 0.481 51 L N 1.245 122.448 121.223 -0.032 0.000 1.989 51 L HA -0.194 4.167 4.340 0.034 0.000 0.211 51 L C 1.289 178.121 176.870 -0.063 0.000 1.071 51 L CA 1.865 56.659 54.840 -0.077 0.000 0.749 51 L CB -0.555 41.529 42.059 0.041 0.000 0.890 51 L HN 0.046 nan 8.230 nan 0.000 0.431 52 N N -1.166 117.561 118.700 0.046 0.000 2.188 52 N HA -0.193 4.568 4.740 0.034 0.000 0.184 52 N C 2.040 177.570 175.510 0.033 0.000 1.018 52 N CA 1.409 54.510 53.050 0.086 0.000 0.858 52 N CB -1.156 37.357 38.487 0.044 0.000 0.989 52 N HN 0.554 nan 8.380 nan 0.000 0.426 53 C N 0.483 119.791 119.300 0.014 0.000 2.413 53 C HA 0.008 4.489 4.460 0.034 0.000 0.277 53 C C 2.673 177.644 174.990 -0.033 0.000 1.265 53 C CA 1.301 60.335 59.018 0.026 0.000 1.752 53 C CB -1.307 26.478 27.740 0.076 0.000 1.998 53 C HN 0.515 nan 8.230 nan 0.000 0.489 54 G N -1.023 107.731 108.800 -0.077 0.000 2.394 54 G HA2 -0.082 3.898 3.960 0.034 0.000 0.214 54 G HA3 -0.082 3.898 3.960 0.034 0.000 0.214 54 G C 1.292 176.135 174.900 -0.095 0.000 1.176 54 G CA 0.590 45.614 45.100 -0.127 0.000 0.786 54 G HN 0.468 nan 8.290 nan 0.000 0.533 55 F N 1.843 121.793 119.950 0.001 0.000 2.365 55 F HA 0.065 4.613 4.527 0.036 0.000 0.300 55 F C 2.925 178.675 175.800 -0.083 0.000 1.090 55 F CA 0.719 58.737 58.000 0.029 0.000 1.408 55 F CB -0.287 38.737 39.000 0.040 0.000 1.060 55 F HN 0.080 nan 8.300 nan 0.000 0.534 56 S N -0.155 115.522 115.700 -0.038 0.000 2.371 56 S HA -0.100 4.390 4.470 0.034 0.000 0.224 56 S C 2.417 176.651 174.600 -0.612 0.000 1.029 56 S CA 0.954 58.929 58.200 -0.375 0.000 0.978 56 S CB -0.556 62.319 63.200 -0.541 0.000 0.833 56 S HN 0.337 nan 8.310 nan 0.000 0.466 57 A N 1.498 124.066 122.820 -0.420 0.000 1.933 57 A HA -0.131 4.210 4.320 0.034 0.000 0.218 57 A C 2.068 179.731 177.584 0.132 0.000 1.175 57 A CA 1.391 53.396 52.037 -0.052 0.000 0.628 57 A CB -0.486 18.581 19.000 0.113 0.000 0.814 57 A HN 0.452 nan 8.150 nan 0.000 0.444 58 E N -0.129 120.161 120.200 0.149 0.000 2.077 58 E HA -0.146 4.225 4.350 0.034 0.000 0.193 58 E C 2.105 178.879 176.600 0.289 0.000 0.989 58 E CA 1.300 57.857 56.400 0.263 0.000 0.800 58 E CB -0.392 29.564 29.700 0.426 0.000 0.746 58 E HN 0.515 nan 8.360 nan 0.000 0.452 59 G N -0.433 108.500 108.800 0.221 0.000 2.403 59 G HA2 -0.272 3.709 3.960 0.034 0.000 0.216 59 G HA3 -0.272 3.709 3.960 0.034 0.000 0.216 59 G C 1.480 176.515 174.900 0.226 0.000 1.154 59 G CA 0.604 45.833 45.100 0.214 0.000 0.784 59 G HN 0.334 nan 8.290 nan 0.000 0.538 60 Y N 1.924 122.248 120.300 0.039 0.000 2.181 60 Y HA -0.034 4.536 4.550 0.034 0.000 0.288 60 Y C 2.893 178.832 175.900 0.066 0.000 1.146 60 Y CA 1.470 59.603 58.100 0.054 0.000 1.164 60 Y CB -0.130 38.472 38.460 0.237 0.000 0.982 60 Y HN 0.240 nan 8.280 nan 0.000 0.515 61 A N 0.144 123.109 122.820 0.242 0.000 2.015 61 A HA -0.139 4.201 4.320 0.034 0.000 0.219 61 A C 2.203 179.838 177.584 0.086 0.000 1.163 61 A CA 1.370 53.500 52.037 0.155 0.000 0.646 61 A CB -0.507 18.600 19.000 0.178 0.000 0.806 61 A HN 0.518 nan 8.150 nan 0.000 0.448 62 R N -0.609 119.983 120.500 0.153 0.000 2.148 62 R HA -0.019 4.341 4.340 0.034 0.000 0.227 62 R C 2.221 178.592 176.300 0.118 0.000 1.103 62 R CA 1.108 57.331 56.100 0.205 0.000 0.983 62 R CB -0.255 30.267 30.300 0.370 0.000 0.874 62 R HN 0.520 nan 8.270 nan 0.000 0.451 63 A N 0.247 122.988 122.820 -0.132 0.000 1.924 63 A HA 0.011 4.351 4.320 0.034 0.000 0.211 63 A C 1.748 179.122 177.584 -0.350 0.000 1.198 63 A CA 0.839 52.594 52.037 -0.470 0.000 0.657 63 A CB 0.228 18.617 19.000 -1.018 0.000 0.852 63 A HN -0.018 nan 8.150 nan 0.000 0.454 64 K N -2.295 117.894 120.400 -0.351 0.000 2.367 64 K HA 0.323 4.663 4.320 0.034 0.000 0.195 64 K C 1.106 177.653 176.600 -0.088 0.000 1.060 64 K CA 0.944 57.072 56.287 -0.265 0.000 1.022 64 K CB 0.704 32.962 32.500 -0.404 0.000 0.894 64 K HN 0.608 nan 8.250 nan 0.000 0.540 65 G N -0.765 108.010 108.800 -0.041 0.000 2.376 65 G HA2 -0.126 3.854 3.960 0.034 0.000 0.208 65 G HA3 -0.126 3.854 3.960 0.034 0.000 0.208 65 G C 0.191 175.125 174.900 0.057 0.000 1.032 65 G CA -0.041 45.067 45.100 0.013 0.000 0.641 65 G HN 0.562 nan 8.290 nan 0.000 0.503 66 A N -0.691 122.188 122.820 0.098 0.000 2.552 66 A HA 1.163 5.504 4.320 0.034 0.000 0.288 66 A C -0.206 177.528 177.584 0.251 0.000 1.193 66 A CA 0.446 52.562 52.037 0.132 0.000 0.713 66 A CB 1.140 20.196 19.000 0.094 0.000 1.305 66 A HN 2.318 nan 8.150 nan 0.000 0.424 67 A N -1.378 121.578 122.820 0.226 0.000 2.586 67 A HA 0.939 5.280 4.320 0.034 0.000 0.290 67 A C -0.818 176.866 177.584 0.165 0.000 1.086 67 A CA 0.054 52.261 52.037 0.283 0.000 0.665 67 A CB 0.669 19.900 19.000 0.385 0.000 1.279 67 A HN 2.596 nan 8.150 nan 0.000 0.423 68 A N -0.312 122.601 122.820 0.156 0.000 2.422 68 A HA 0.941 5.281 4.320 0.034 0.000 0.302 68 A C -0.359 177.338 177.584 0.190 0.000 1.041 68 A CA 0.124 52.234 52.037 0.122 0.000 0.708 68 A CB 1.303 20.335 19.000 0.053 0.000 1.257 68 A HN 2.532 nan 8.150 nan 0.000 0.414 69 A N 1.315 124.227 122.820 0.152 0.000 2.365 69 A HA 0.762 5.102 4.320 0.034 0.000 0.318 69 A C -1.023 176.634 177.584 0.122 0.000 1.091 69 A CA -0.517 51.624 52.037 0.174 0.000 0.763 69 A CB 1.452 20.537 19.000 0.141 0.000 1.248 69 A HN 1.342 nan 8.150 nan 0.000 0.442 70 V N 2.859 122.860 119.914 0.145 0.000 2.487 70 V HA 0.647 4.788 4.120 0.034 0.000 0.298 70 V C 0.115 176.280 176.094 0.117 0.000 1.028 70 V CA -0.344 62.023 62.300 0.111 0.000 0.860 70 V CB 1.096 32.994 31.823 0.125 0.000 0.991 70 V HN 1.207 nan 8.190 nan 0.000 0.427 71 V N 1.636 121.602 119.914 0.087 0.000 3.156 71 V HA 0.793 4.933 4.120 0.034 0.000 0.311 71 V C -0.201 175.949 176.094 0.093 0.000 1.208 71 V CA -0.576 61.770 62.300 0.076 0.000 1.063 71 V CB 2.013 33.852 31.823 0.028 0.000 1.098 71 V HN 0.706 nan 8.190 nan 0.000 0.452 72 T N -0.583 114.030 114.554 0.098 0.000 2.912 72 T HA 0.481 4.851 4.350 0.034 0.000 0.280 72 T C -0.962 173.829 174.700 0.152 0.000 0.989 72 T CA -0.230 61.983 62.100 0.188 0.000 0.995 72 T CB 0.757 69.775 68.868 0.251 0.000 1.077 72 T HN 0.769 nan 8.240 nan 0.000 0.531 73 Y N 2.721 123.087 120.300 0.110 0.000 2.650 73 Y HA 0.294 4.861 4.550 0.027 0.000 0.331 73 Y C 1.499 177.385 175.900 -0.024 0.000 1.165 73 Y CA 1.676 59.739 58.100 -0.061 0.000 1.473 73 Y CB -0.160 38.049 38.460 -0.419 0.000 1.224 73 Y HN 0.942 nan 8.280 nan 0.000 0.533 74 S N 1.960 117.315 115.700 -0.576 0.000 3.186 74 S HA -0.314 4.177 4.470 0.034 0.000 0.249 74 S C 1.434 175.891 174.600 -0.237 0.000 1.453 74 S CA 2.267 60.202 58.200 -0.442 0.000 3.213 74 S CB -1.886 61.197 63.200 -0.196 0.000 0.764 74 S HN 1.364 nan 8.310 nan 0.000 0.474 75 V N 1.219 121.020 119.914 -0.188 0.000 2.490 75 V HA 0.226 4.366 4.120 0.034 0.000 0.250 75 V C 2.352 178.338 176.094 -0.180 0.000 1.061 75 V CA 2.673 64.852 62.300 -0.202 0.000 1.064 75 V CB -1.534 30.077 31.823 -0.354 0.000 0.670 75 V HN 0.940 nan 8.190 nan 0.000 0.461 76 G N -0.513 108.183 108.800 -0.174 0.000 2.441 76 G HA2 0.141 4.122 3.960 0.034 0.000 0.212 76 G HA3 0.141 4.122 3.960 0.034 0.000 0.212 76 G C 1.672 176.462 174.900 -0.184 0.000 1.164 76 G CA 0.805 45.831 45.100 -0.123 0.000 0.811 76 G HN 0.803 nan 8.290 nan 0.000 0.535 77 A N 0.451 123.094 122.820 -0.295 0.000 1.897 77 A HA 0.187 4.528 4.320 0.034 0.000 0.215 77 A C 2.312 179.377 177.584 -0.865 0.000 1.181 77 A CA 1.078 52.814 52.037 -0.501 0.000 0.620 77 A CB -0.404 18.266 19.000 -0.551 0.000 0.821 77 A HN 0.258 nan 8.150 nan 0.000 0.443 78 L N 0.883 121.684 121.223 -0.702 0.000 2.042 78 L HA -0.181 4.180 4.340 0.034 0.000 0.210 78 L C 3.013 179.744 176.870 -0.232 0.000 1.076 78 L CA 2.417 56.922 54.840 -0.559 0.000 0.749 78 L CB -0.670 41.252 42.059 -0.229 0.000 0.893 78 L HN 0.593 nan 8.230 nan 0.000 0.432 79 S N -1.181 114.425 115.700 -0.157 0.000 2.387 79 S HA -0.091 4.399 4.470 0.034 0.000 0.226 79 S C 2.140 176.710 174.600 -0.049 0.000 1.026 79 S CA 0.668 58.841 58.200 -0.045 0.000 0.972 79 S CB -0.714 62.470 63.200 -0.027 0.000 0.814 79 S HN 0.308 nan 8.310 nan 0.000 0.477 80 A N 1.195 123.950 122.820 -0.108 0.000 2.019 80 A HA 0.093 4.434 4.320 0.034 0.000 0.219 80 A C 1.847 179.462 177.584 0.052 0.000 1.164 80 A CA 1.125 53.116 52.037 -0.076 0.000 0.644 80 A CB -1.018 17.947 19.000 -0.058 0.000 0.805 80 A HN 0.490 nan 8.150 nan 0.000 0.449 81 F N 0.626 120.545 119.950 -0.051 0.000 2.192 81 F HA -0.173 4.373 4.527 0.032 0.000 0.301 81 F C 2.169 177.952 175.800 -0.029 0.000 1.079 81 F CA 1.198 59.173 58.000 -0.042 0.000 1.303 81 F CB -0.880 38.106 39.000 -0.023 0.000 1.024 81 F HN 0.339 nan 8.300 nan 0.000 0.494 82 D N 0.048 120.576 120.400 0.213 0.000 2.123 82 D HA -0.148 4.512 4.640 0.034 0.000 0.196 82 D C 2.249 178.583 176.300 0.055 0.000 0.992 82 D CA 1.404 55.571 54.000 0.278 0.000 0.833 82 D CB -0.153 40.820 40.800 0.289 0.000 0.954 82 D HN 0.188 nan 8.370 nan 0.000 0.455 83 A N 0.579 123.195 122.820 -0.341 0.000 1.930 83 A HA -0.098 4.243 4.320 0.034 0.000 0.217 83 A C 2.269 179.650 177.584 -0.338 0.000 1.175 83 A CA 0.789 52.384 52.037 -0.735 0.000 0.627 83 A CB -0.430 17.988 19.000 -0.971 0.000 0.815 83 A HN 0.259 nan 8.150 nan 0.000 0.443 84 I N 0.173 120.634 120.570 -0.182 0.000 2.252 84 I HA -0.169 4.022 4.170 0.034 0.000 0.245 84 I C 2.687 178.646 176.117 -0.264 0.000 1.102 84 I CA 1.440 62.667 61.300 -0.123 0.000 1.385 84 I CB -2.007 35.995 38.000 0.003 0.000 1.064 84 I HN 0.337 nan 8.210 nan 0.000 0.414 85 G N 0.797 109.360 108.800 -0.396 0.000 2.440 85 G HA2 -0.211 3.769 3.960 0.034 0.000 0.218 85 G HA3 -0.211 3.769 3.960 0.034 0.000 0.218 85 G C 1.766 175.753 174.900 -1.520 0.000 1.154 85 G CA 0.937 45.580 45.100 -0.761 0.000 0.767 85 G HN 0.479 nan 8.290 nan 0.000 0.552 86 G N 1.065 108.793 108.800 -1.788 0.000 2.440 86 G HA2 0.024 4.005 3.960 0.034 0.000 0.218 86 G HA3 0.024 4.005 3.960 0.034 0.000 0.218 86 G C 2.035 176.642 174.900 -0.488 0.000 1.154 86 G CA 1.527 45.695 45.100 -1.554 0.000 0.767 86 G HN 0.667 nan 8.290 nan 0.000 0.552 87 A N -0.435 122.226 122.820 -0.265 0.000 1.969 87 A HA 0.036 4.376 4.320 0.034 0.000 0.218 87 A C 2.173 179.712 177.584 -0.074 0.000 1.169 87 A CA 1.533 53.524 52.037 -0.077 0.000 0.635 87 A CB -0.546 18.446 19.000 -0.014 0.000 0.810 87 A HN 0.444 nan 8.150 nan 0.000 0.445 88 Y N 0.514 120.676 120.300 -0.229 0.000 2.163 88 Y HA -0.076 4.497 4.550 0.039 0.000 0.288 88 Y C 2.684 178.517 175.900 -0.112 0.000 1.136 88 Y CA 1.251 59.257 58.100 -0.158 0.000 1.147 88 Y CB -0.439 37.916 38.460 -0.175 0.000 0.987 88 Y HN 0.307 nan 8.280 nan 0.000 0.509 89 A N -0.127 122.739 122.820 0.077 0.000 1.972 89 A HA -0.146 4.194 4.320 0.034 0.000 0.219 89 A C 1.795 179.409 177.584 0.051 0.000 1.169 89 A CA 1.896 54.018 52.037 0.142 0.000 0.635 89 A CB -0.392 18.784 19.000 0.292 0.000 0.810 89 A HN 0.510 nan 8.150 nan 0.000 0.446 90 E N -0.006 120.190 120.200 -0.007 0.000 2.463 90 E HA 0.040 4.411 4.350 0.034 0.000 0.193 90 E C -0.490 176.100 176.600 -0.016 0.000 1.041 90 E CA -0.129 56.270 56.400 -0.003 0.000 0.879 90 E CB -0.178 29.522 29.700 0.001 0.000 0.997 90 E HN 0.615 nan 8.360 nan 0.000 0.478 91 N N 0.659 119.312 118.700 -0.077 0.000 2.758 91 N HA -0.198 4.562 4.740 0.034 0.000 0.248 91 N C -0.738 174.732 175.510 -0.066 0.000 1.076 91 N CA 0.548 53.530 53.050 -0.114 0.000 0.696 91 N CB -1.600 36.834 38.487 -0.090 0.000 0.979 91 N HN 0.191 nan 8.380 nan 0.000 0.550 92 L N 1.016 122.215 121.223 -0.040 0.000 2.313 92 L HA 0.413 4.774 4.340 0.034 0.000 0.283 92 L C -1.890 174.979 176.870 -0.001 0.000 1.013 92 L CA -1.699 53.145 54.840 0.008 0.000 0.816 92 L CB 1.805 43.906 42.059 0.071 0.000 1.236 92 L HN -0.196 nan 8.230 nan 0.000 0.419 93 P HA 0.060 nan 4.420 nan 0.000 0.256 93 P C -0.534 176.789 177.300 0.038 0.000 1.688 93 P CA 0.022 63.122 63.100 -0.001 0.000 1.162 93 P CB 0.274 31.967 31.700 -0.012 0.000 1.870 94 V N 5.502 125.444 119.914 0.046 0.000 2.394 94 V HA 0.284 4.425 4.120 0.034 0.000 0.282 94 V C 0.838 176.966 176.094 0.058 0.000 1.031 94 V CA -0.641 61.704 62.300 0.074 0.000 0.881 94 V CB 1.557 33.429 31.823 0.082 0.000 0.982 94 V HN 0.301 nan 8.190 nan 0.000 0.451 95 I N 5.924 126.529 120.570 0.058 0.000 2.297 95 I HA 0.270 4.461 4.170 0.034 0.000 0.291 95 I C -0.368 175.779 176.117 0.050 0.000 1.033 95 I CA -0.429 60.893 61.300 0.037 0.000 1.253 95 I CB 1.226 39.230 38.000 0.007 0.000 1.396 95 I HN 0.401 nan 8.210 nan 0.000 0.476 96 L N 9.084 130.348 121.223 0.069 0.000 2.265 96 L HA 0.490 4.850 4.340 0.034 0.000 0.288 96 L C -0.622 176.242 176.870 -0.010 0.000 1.058 96 L CA 0.107 54.999 54.840 0.087 0.000 0.809 96 L CB 0.627 42.810 42.059 0.205 0.000 1.179 96 L HN 0.371 nan 8.230 nan 0.000 0.429 97 I N 4.314 124.868 120.570 -0.026 0.000 2.355 97 I HA 0.373 4.563 4.170 0.034 0.000 0.288 97 I C 0.145 176.231 176.117 -0.052 0.000 0.999 97 I CA -0.002 61.237 61.300 -0.101 0.000 1.163 97 I CB 1.668 39.623 38.000 -0.074 0.000 1.316 97 I HN 0.571 nan 8.210 nan 0.000 0.454 98 S N 3.923 119.561 115.700 -0.103 0.000 2.489 98 S HA 0.728 5.218 4.470 0.034 0.000 0.291 98 S C 0.325 174.949 174.600 0.041 0.000 1.151 98 S CA -0.629 57.580 58.200 0.015 0.000 1.082 98 S CB 0.922 64.181 63.200 0.098 0.000 1.019 98 S HN 0.798 nan 8.310 nan 0.000 0.492 99 G N 2.185 111.050 108.800 0.107 0.000 2.544 99 G HA2 0.552 4.532 3.960 0.034 0.000 0.242 99 G HA3 0.552 4.532 3.960 0.034 0.000 0.242 99 G C -0.206 174.758 174.900 0.107 0.000 1.247 99 G CA 0.109 45.290 45.100 0.135 0.000 0.840 99 G HN 1.047 nan 8.290 nan 0.000 0.578 100 A N 2.570 125.367 122.820 -0.039 0.000 2.532 100 A HA 0.926 5.267 4.320 0.034 0.000 0.290 100 A C -2.827 174.447 177.584 -0.515 0.000 1.143 100 A CA -1.497 50.330 52.037 -0.350 0.000 0.728 100 A CB 1.410 20.327 19.000 -0.137 0.000 1.317 100 A HN 0.514 nan 8.150 nan 0.000 0.414 101 P HA 0.010 nan 4.420 nan 0.000 0.269 101 P C -0.381 176.849 177.300 -0.117 0.000 1.217 101 P CA -0.320 62.469 63.100 -0.518 0.000 0.783 101 P CB 0.330 31.533 31.700 -0.829 0.000 0.898 102 N N 3.115 121.811 118.700 -0.006 0.000 2.359 102 N HA -0.108 4.653 4.740 0.034 0.000 0.261 102 N C 1.318 176.849 175.510 0.034 0.000 1.267 102 N CA 0.287 53.360 53.050 0.038 0.000 0.864 102 N CB 0.223 38.737 38.487 0.045 0.000 1.063 102 N HN 0.450 nan 8.380 nan 0.000 0.474 103 N N 4.467 123.239 118.700 0.120 0.000 2.272 103 N HA -0.231 4.530 4.740 0.034 0.000 0.185 103 N C 0.307 175.907 175.510 0.151 0.000 1.014 103 N CA 1.154 54.330 53.050 0.209 0.000 0.870 103 N CB -0.324 38.260 38.487 0.163 0.000 0.975 103 N HN 0.521 nan 8.380 nan 0.000 0.433 104 N N 1.003 119.746 118.700 0.071 0.000 2.519 104 N HA -0.086 4.675 4.740 0.034 0.000 0.186 104 N C 0.091 175.600 175.510 -0.001 0.000 1.062 104 N CA 0.751 53.828 53.050 0.044 0.000 0.910 104 N CB -0.110 38.412 38.487 0.058 0.000 0.958 104 N HN 0.384 nan 8.380 nan 0.000 0.445 105 D N -0.095 120.269 120.400 -0.060 0.000 2.340 105 D HA 0.014 4.675 4.640 0.034 0.000 0.220 105 D C 0.198 176.351 176.300 -0.246 0.000 1.039 105 D CA 0.323 54.245 54.000 -0.130 0.000 0.866 105 D CB 0.147 40.838 40.800 -0.182 0.000 0.913 105 D HN 0.321 nan 8.370 nan 0.000 0.523 106 H N 0.280 119.314 119.070 -0.059 0.000 2.487 106 H HA 0.376 4.951 4.556 0.032 0.000 0.333 106 H C 0.955 176.234 175.328 -0.082 0.000 1.114 106 H CA -0.262 55.763 56.048 -0.039 0.000 1.310 106 H CB 1.550 31.218 29.762 -0.156 0.000 1.462 106 H HN -0.068 nan 8.280 nan 0.000 0.516 107 A N 1.971 124.826 122.820 0.058 0.000 2.745 107 A HA -0.204 4.136 4.320 0.034 0.000 0.296 107 A C 1.204 178.738 177.584 -0.083 0.000 1.500 107 A CA 1.121 53.154 52.037 -0.007 0.000 0.766 107 A CB -1.875 17.120 19.000 -0.007 0.000 1.030 107 A HN 0.868 nan 8.150 nan 0.000 0.489 108 A N -1.324 121.392 122.820 -0.174 0.000 2.508 108 A HA 0.598 4.939 4.320 0.034 0.000 0.250 108 A C 2.112 179.507 177.584 -0.317 0.000 1.208 108 A CA 1.302 53.103 52.037 -0.394 0.000 0.960 108 A CB -0.235 18.238 19.000 -0.878 0.000 1.099 108 A HN 2.624 nan 8.150 nan 0.000 0.542 109 G N 0.031 108.775 108.800 -0.093 0.000 2.176 109 G HA2 -0.251 3.729 3.960 0.034 0.000 0.252 109 G HA3 -0.251 3.729 3.960 0.034 0.000 0.252 109 G C -0.168 174.872 174.900 0.235 0.000 1.024 109 G CA 0.491 45.627 45.100 0.060 0.000 0.755 109 G HN 0.811 nan 8.290 nan 0.000 0.507 110 H N -0.905 118.220 119.070 0.091 0.000 2.488 110 H HA 0.477 5.055 4.556 0.035 0.000 0.322 110 H C -0.066 175.380 175.328 0.197 0.000 1.078 110 H CA -1.141 54.973 56.048 0.110 0.000 1.260 110 H CB 1.970 31.779 29.762 0.078 0.000 1.425 110 H HN 0.101 nan 8.280 nan 0.000 0.471 111 V N 5.954 126.030 119.914 0.270 0.000 2.465 111 V HA 0.202 4.342 4.120 0.034 0.000 0.279 111 V C 0.130 176.371 176.094 0.245 0.000 1.045 111 V CA -0.422 62.038 62.300 0.266 0.000 0.938 111 V CB 1.014 32.932 31.823 0.158 0.000 0.986 111 V HN 0.532 nan 8.190 nan 0.000 0.467 112 L N 4.436 125.845 121.223 0.310 0.000 2.341 112 L HA 0.583 4.944 4.340 0.034 0.000 0.267 112 L C 0.199 177.195 176.870 0.210 0.000 1.009 112 L CA -1.011 53.937 54.840 0.179 0.000 0.819 112 L CB 1.891 43.915 42.059 -0.058 0.000 1.323 112 L HN 0.780 nan 8.230 nan 0.000 0.425 113 H N 0.936 120.064 119.070 0.097 0.000 2.852 113 H HA 0.020 4.598 4.556 0.037 0.000 0.362 113 H C -0.129 175.343 175.328 0.241 0.000 1.122 113 H CA 0.241 56.325 56.048 0.059 0.000 1.419 113 H CB 0.473 30.130 29.762 -0.176 0.000 1.401 113 H HN 0.735 nan 8.280 nan 0.000 0.609 114 H N -1.624 117.570 119.070 0.206 0.000 3.642 114 H HA -0.146 4.430 4.556 0.033 0.000 0.185 114 H C 0.183 175.666 175.328 0.258 0.000 0.992 114 H CA 0.798 56.969 56.048 0.205 0.000 1.216 114 H CB -1.711 28.188 29.762 0.229 0.000 1.055 114 H HN 0.959 nan 8.280 nan 0.000 0.351 115 A N -0.201 122.859 122.820 0.400 0.000 2.468 115 A HA 0.721 5.061 4.320 0.034 0.000 0.270 115 A C 1.355 179.087 177.584 0.247 0.000 1.217 115 A CA -0.194 52.115 52.037 0.452 0.000 0.908 115 A CB 0.461 19.868 19.000 0.678 0.000 1.423 115 A HN 0.082 nan 8.150 nan 0.000 0.459 116 L N -0.090 121.210 121.223 0.128 0.000 2.478 116 L HA 0.214 4.575 4.340 0.034 0.000 0.223 116 L C 1.711 178.583 176.870 0.003 0.000 1.140 116 L CA 1.164 55.976 54.840 -0.047 0.000 0.842 116 L CB -0.201 41.689 42.059 -0.281 0.000 0.953 116 L HN 1.219 nan 8.230 nan 0.000 0.452 117 G N -0.437 108.404 108.800 0.069 0.000 2.176 117 G HA2 -0.226 3.755 3.960 0.034 0.000 0.232 117 G HA3 -0.226 3.755 3.960 0.034 0.000 0.232 117 G C 0.394 175.308 174.900 0.025 0.000 0.986 117 G CA -0.167 44.970 45.100 0.061 0.000 0.643 117 G HN 0.304 nan 8.290 nan 0.000 0.522 118 K N -0.698 119.683 120.400 -0.030 0.000 2.362 118 K HA 0.609 4.949 4.320 0.034 0.000 0.245 118 K C 1.093 177.607 176.600 -0.143 0.000 1.040 118 K CA 0.136 56.370 56.287 -0.089 0.000 0.961 118 K CB 0.761 33.174 32.500 -0.145 0.000 1.252 118 K HN 0.032 nan 8.250 nan 0.000 0.503 119 T N 0.418 114.865 114.554 -0.178 0.000 3.054 119 T HA 0.022 4.393 4.350 0.034 0.000 0.255 119 T C -0.709 173.753 174.700 -0.397 0.000 1.035 119 T CA -0.171 61.827 62.100 -0.169 0.000 0.941 119 T CB -0.163 68.691 68.868 -0.025 0.000 1.026 119 T HN 0.598 nan 8.240 nan 0.000 0.533 120 D N -0.014 120.050 120.400 -0.560 0.000 2.269 120 D HA 0.271 4.932 4.640 0.034 0.000 0.244 120 D C -1.009 174.856 176.300 -0.726 0.000 0.992 120 D CA -0.905 52.831 54.000 -0.440 0.000 0.894 120 D CB 0.768 41.499 40.800 -0.115 0.000 1.248 120 D HN 0.180 nan 8.370 nan 0.000 0.468 121 Y N -0.445 119.953 120.300 0.164 0.000 2.658 121 Y HA 0.148 4.722 4.550 0.040 0.000 0.273 121 Y C 0.774 176.792 175.900 0.197 0.000 0.992 121 Y CA -0.634 57.559 58.100 0.155 0.000 1.105 121 Y CB 0.163 38.629 38.460 0.011 0.000 1.188 121 Y HN 0.614 nan 8.280 nan 0.000 0.616 122 H N -2.244 116.980 119.070 0.256 0.000 2.652 122 H HA 0.042 4.609 4.556 0.018 0.000 0.274 122 H C 1.258 176.668 175.328 0.136 0.000 1.021 122 H CA 0.080 56.249 56.048 0.202 0.000 1.187 122 H CB -0.376 29.489 29.762 0.173 0.000 1.505 122 H HN 0.560 nan 8.280 nan 0.000 0.530 123 Y N 1.509 121.774 120.300 -0.058 0.000 2.224 123 Y HA -0.150 4.411 4.550 0.018 0.000 0.289 123 Y C 2.589 178.538 175.900 0.082 0.000 1.146 123 Y CA 1.362 59.452 58.100 -0.016 0.000 1.182 123 Y CB -0.536 37.880 38.460 -0.074 0.000 0.983 123 Y HN 0.200 nan 8.280 nan 0.000 0.524 124 Q N 0.664 120.180 119.800 -0.473 0.000 2.050 124 Q HA -0.206 4.155 4.340 0.034 0.000 0.202 124 Q C 2.267 178.226 176.000 -0.068 0.000 0.980 124 Q CA 1.962 57.631 55.803 -0.224 0.000 0.840 124 Q CB -0.292 28.155 28.738 -0.486 0.000 0.898 124 Q HN 0.589 nan 8.270 nan 0.000 0.424 125 L N 1.194 122.410 121.223 -0.013 0.000 2.013 125 L HA -0.214 4.146 4.340 0.034 0.000 0.212 125 L C 2.060 178.876 176.870 -0.090 0.000 1.073 125 L CA 1.968 56.783 54.840 -0.042 0.000 0.753 125 L CB -0.468 41.703 42.059 0.186 0.000 0.890 125 L HN 0.232 nan 8.230 nan 0.000 0.432 126 E N -0.591 119.630 120.200 0.035 0.000 2.106 126 E HA -0.215 4.155 4.350 0.034 0.000 0.192 126 E C 2.219 178.789 176.600 -0.049 0.000 0.984 126 E CA 1.727 58.148 56.400 0.034 0.000 0.806 126 E CB -0.371 29.416 29.700 0.146 0.000 0.750 126 E HN 0.601 nan 8.360 nan 0.000 0.458 127 M N 0.304 119.880 119.600 -0.040 0.000 2.117 127 M HA -0.118 4.383 4.480 0.034 0.000 0.262 127 M C 2.386 178.433 176.300 -0.422 0.000 1.065 127 M CA 1.602 56.837 55.300 -0.108 0.000 1.114 127 M CB -0.318 32.346 32.600 0.107 0.000 1.361 127 M HN 0.052 nan 8.290 nan 0.000 0.408 128 A N 0.484 122.926 122.820 -0.630 0.000 1.972 128 A HA -0.178 4.163 4.320 0.034 0.000 0.219 128 A C 2.059 179.344 177.584 -0.497 0.000 1.169 128 A CA 1.649 53.126 52.037 -0.933 0.000 0.635 128 A CB -0.573 17.687 19.000 -1.234 0.000 0.810 128 A HN 0.443 nan 8.150 nan 0.000 0.446 129 K N -0.014 120.204 120.400 -0.303 0.000 2.211 129 K HA -0.118 4.223 4.320 0.034 0.000 0.204 129 K C 1.387 177.880 176.600 -0.179 0.000 1.047 129 K CA 1.189 57.377 56.287 -0.166 0.000 0.935 129 K CB -0.209 32.239 32.500 -0.087 0.000 0.728 129 K HN 0.477 nan 8.250 nan 0.000 0.452 130 N N 1.154 119.719 118.700 -0.225 0.000 2.381 130 N HA -0.092 4.669 4.740 0.034 0.000 0.182 130 N C 1.445 176.775 175.510 -0.301 0.000 1.025 130 N CA 1.114 54.035 53.050 -0.215 0.000 0.888 130 N CB 0.202 38.583 38.487 -0.176 0.000 0.965 130 N HN 0.393 nan 8.380 nan 0.000 0.438 131 I N -2.317 118.042 120.570 -0.353 0.000 3.817 131 I HA 0.274 4.465 4.170 0.034 0.000 0.325 131 I C -0.405 175.540 176.117 -0.286 0.000 1.550 131 I CA -0.466 60.589 61.300 -0.408 0.000 1.100 131 I CB 0.544 38.335 38.000 -0.349 0.000 1.216 131 I HN -0.229 nan 8.210 nan 0.000 0.481 132 T N -3.156 111.294 114.554 -0.173 0.000 2.883 132 T HA 0.721 5.091 4.350 0.034 0.000 0.301 132 T C 0.669 175.460 174.700 0.152 0.000 1.158 132 T CA -0.104 62.033 62.100 0.061 0.000 1.007 132 T CB 2.383 71.261 68.868 0.018 0.000 1.186 132 T HN 0.014 nan 8.240 nan 0.000 0.499 133 A N 0.783 123.723 122.820 0.200 0.000 2.016 133 A HA 0.685 5.025 4.320 0.034 0.000 0.217 133 A C 1.209 178.827 177.584 0.057 0.000 1.162 133 A CA 0.821 52.938 52.037 0.133 0.000 0.662 133 A CB -0.647 18.383 19.000 0.049 0.000 0.812 133 A HN 1.663 nan 8.150 nan 0.000 0.450 134 A N -1.653 121.193 122.820 0.043 0.000 2.547 134 A HA 0.714 5.054 4.320 0.034 0.000 0.297 134 A C -0.731 176.909 177.584 0.094 0.000 1.056 134 A CA 0.159 52.224 52.037 0.048 0.000 0.688 134 A CB 0.878 19.842 19.000 -0.059 0.000 1.282 134 A HN 1.557 nan 8.150 nan 0.000 0.400 135 A N 1.870 124.770 122.820 0.133 0.000 2.402 135 A HA 0.767 5.108 4.320 0.034 0.000 0.291 135 A C -1.138 176.569 177.584 0.205 0.000 1.051 135 A CA -0.396 51.777 52.037 0.226 0.000 0.716 135 A CB 1.165 20.263 19.000 0.163 0.000 1.223 135 A HN 0.641 nan 8.150 nan 0.000 0.425 136 E N 0.816 121.127 120.200 0.184 0.000 2.293 136 E HA 0.648 5.018 4.350 0.034 0.000 0.270 136 E C -0.819 175.773 176.600 -0.014 0.000 0.879 136 E CA -0.626 55.817 56.400 0.072 0.000 0.756 136 E CB 2.426 32.148 29.700 0.036 0.000 1.208 136 E HN 0.842 nan 8.360 nan 0.000 0.428 137 A N 3.582 126.343 122.820 -0.097 0.000 2.271 137 A HA 0.609 4.950 4.320 0.034 0.000 0.317 137 A C -0.221 177.041 177.584 -0.536 0.000 1.245 137 A CA -0.619 51.216 52.037 -0.337 0.000 0.857 137 A CB 0.153 18.901 19.000 -0.420 0.000 1.175 137 A HN 0.552 nan 8.150 nan 0.000 0.512 138 I N 3.226 123.511 120.570 -0.476 0.000 2.306 138 I HA 0.206 4.397 4.170 0.034 0.000 0.288 138 I C -0.340 175.560 176.117 -0.361 0.000 1.036 138 I CA -0.074 61.020 61.300 -0.344 0.000 1.221 138 I CB 0.681 38.568 38.000 -0.189 0.000 1.385 138 I HN 0.792 nan 8.210 nan 0.000 0.472 139 Y N 3.222 123.491 120.300 -0.052 0.000 2.481 139 Y HA 0.098 4.664 4.550 0.026 0.000 0.258 139 Y C 1.355 177.236 175.900 -0.033 0.000 1.103 139 Y CA -0.279 57.789 58.100 -0.054 0.000 1.287 139 Y CB 0.368 38.761 38.460 -0.112 0.000 1.108 139 Y HN 0.515 nan 8.280 nan 0.000 0.529 140 T N -4.221 110.380 114.554 0.079 0.000 2.903 140 T HA 0.348 4.719 4.350 0.034 0.000 0.299 140 T C -2.441 172.254 174.700 -0.008 0.000 1.093 140 T CA -2.380 59.744 62.100 0.039 0.000 1.002 140 T CB 2.576 71.464 68.868 0.033 0.000 1.127 140 T HN -0.367 nan 8.240 nan 0.000 0.488 141 P HA -0.039 nan 4.420 nan 0.000 0.216 141 P C 1.062 178.323 177.300 -0.065 0.000 1.150 141 P CA 1.038 64.118 63.100 -0.034 0.000 0.837 141 P CB 0.116 31.807 31.700 -0.015 0.000 0.786 142 E N -0.316 119.854 120.200 -0.050 0.000 2.204 142 E HA -0.149 4.222 4.350 0.034 0.000 0.194 142 E C 1.670 178.218 176.600 -0.086 0.000 0.989 142 E CA 0.978 57.340 56.400 -0.063 0.000 0.824 142 E CB -0.551 29.126 29.700 -0.038 0.000 0.756 142 E HN 0.452 nan 8.360 nan 0.000 0.477 143 E N -0.099 120.055 120.200 -0.078 0.000 2.442 143 E HA 0.104 4.474 4.350 0.034 0.000 0.195 143 E C 1.813 178.339 176.600 -0.124 0.000 1.030 143 E CA 0.365 56.714 56.400 -0.085 0.000 0.869 143 E CB 0.165 29.831 29.700 -0.057 0.000 0.857 143 E HN 0.232 nan 8.360 nan 0.000 0.505 144 A N 2.552 125.278 122.820 -0.156 0.000 1.859 144 A HA -0.149 4.191 4.320 0.034 0.000 0.217 144 A C -0.278 177.130 177.584 -0.292 0.000 1.198 144 A CA 1.386 53.304 52.037 -0.198 0.000 0.629 144 A CB -1.548 17.334 19.000 -0.198 0.000 0.830 144 A HN 0.119 nan 8.150 nan 0.000 0.446 145 P HA -0.173 nan 4.420 nan 0.000 0.216 145 P C 1.732 178.916 177.300 -0.194 0.000 1.153 145 P CA 2.187 64.863 63.100 -0.707 0.000 0.858 145 P CB -0.154 31.159 31.700 -0.646 0.000 0.789 146 A N -0.423 122.320 122.820 -0.129 0.000 1.898 146 A HA -0.194 4.146 4.320 0.034 0.000 0.216 146 A C 2.120 179.708 177.584 0.006 0.000 1.181 146 A CA 1.743 53.755 52.037 -0.041 0.000 0.620 146 A CB -1.017 17.950 19.000 -0.055 0.000 0.819 146 A HN 0.118 nan 8.150 nan 0.000 0.442 147 K N -0.453 119.933 120.400 -0.024 0.000 2.057 147 K HA -0.009 4.331 4.320 0.034 0.000 0.206 147 K C 1.772 178.398 176.600 0.043 0.000 1.050 147 K CA 1.459 57.756 56.287 0.016 0.000 0.935 147 K CB -0.334 32.144 32.500 -0.036 0.000 0.715 147 K HN 0.511 nan 8.250 nan 0.000 0.439 148 I N 1.374 121.957 120.570 0.023 0.000 2.179 148 I HA -0.284 3.906 4.170 0.034 0.000 0.242 148 I C 1.601 177.761 176.117 0.072 0.000 1.088 148 I CA 1.266 62.601 61.300 0.059 0.000 1.357 148 I CB -0.247 37.842 38.000 0.147 0.000 1.051 148 I HN 0.124 nan 8.210 nan 0.000 0.409 149 D N -0.388 120.078 120.400 0.111 0.000 2.097 149 D HA -0.240 4.421 4.640 0.034 0.000 0.195 149 D C 2.006 178.337 176.300 0.051 0.000 0.989 149 D CA 1.457 55.503 54.000 0.077 0.000 0.827 149 D CB -0.410 40.450 40.800 0.099 0.000 0.966 149 D HN 0.391 nan 8.370 nan 0.000 0.456 150 H N 0.622 119.684 119.070 -0.012 0.000 2.290 150 H HA -0.110 4.466 4.556 0.032 0.000 0.298 150 H C 2.032 177.347 175.328 -0.021 0.000 1.087 150 H CA 2.547 58.584 56.048 -0.018 0.000 1.291 150 H CB -0.411 29.341 29.762 -0.016 0.000 1.369 150 H HN 0.059 nan 8.280 nan 0.000 0.492 151 V N -0.922 118.921 119.914 -0.118 0.000 2.407 151 V HA -0.148 3.993 4.120 0.034 0.000 0.248 151 V C 2.415 178.420 176.094 -0.149 0.000 1.055 151 V CA 1.976 64.175 62.300 -0.167 0.000 1.049 151 V CB -0.785 31.009 31.823 -0.050 0.000 0.662 151 V HN 0.463 nan 8.190 nan 0.000 0.455 152 I N -0.153 120.351 120.570 -0.111 0.000 2.233 152 I HA -0.142 4.048 4.170 0.034 0.000 0.243 152 I C 2.875 178.890 176.117 -0.170 0.000 1.093 152 I CA 1.757 62.981 61.300 -0.125 0.000 1.380 152 I CB -0.409 37.522 38.000 -0.114 0.000 1.067 152 I HN 0.244 nan 8.210 nan 0.000 0.413 153 K N 0.228 120.530 120.400 -0.164 0.000 2.063 153 K HA -0.154 4.186 4.320 0.034 0.000 0.208 153 K C 2.105 178.608 176.600 -0.162 0.000 1.048 153 K CA 1.843 58.032 56.287 -0.163 0.000 0.928 153 K CB -0.267 32.173 32.500 -0.101 0.000 0.713 153 K HN 0.307 nan 8.250 nan 0.000 0.442 154 T N 0.962 115.386 114.554 -0.216 0.000 2.746 154 T HA -0.132 4.239 4.350 0.034 0.000 0.267 154 T C 1.942 176.559 174.700 -0.139 0.000 1.039 154 T CA 1.347 63.324 62.100 -0.205 0.000 1.142 154 T CB -0.205 68.464 68.868 -0.332 0.000 0.866 154 T HN 0.327 nan 8.240 nan 0.000 0.444 155 A N 1.209 123.949 122.820 -0.133 0.000 1.908 155 A HA -0.007 4.334 4.320 0.034 0.000 0.218 155 A C 2.296 179.825 177.584 -0.093 0.000 1.181 155 A CA 1.242 53.221 52.037 -0.097 0.000 0.627 155 A CB -0.809 18.144 19.000 -0.078 0.000 0.818 155 A HN 0.478 nan 8.150 nan 0.000 0.445 156 L N -1.396 119.756 121.223 -0.119 0.000 2.072 156 L HA -0.121 4.240 4.340 0.034 0.000 0.205 156 L C 2.817 179.648 176.870 -0.064 0.000 1.079 156 L CA 1.624 56.398 54.840 -0.110 0.000 0.752 156 L CB -0.472 41.453 42.059 -0.223 0.000 0.906 156 L HN 0.466 nan 8.230 nan 0.000 0.436 157 R N 0.617 121.078 120.500 -0.066 0.000 2.075 157 R HA -0.134 4.227 4.340 0.034 0.000 0.232 157 R C 1.790 178.075 176.300 -0.026 0.000 1.126 157 R CA 1.427 57.511 56.100 -0.027 0.000 0.963 157 R CB 0.080 30.368 30.300 -0.020 0.000 0.858 157 R HN 0.419 nan 8.270 nan 0.000 0.435 158 E N 0.272 120.439 120.200 -0.054 0.000 2.447 158 E HA 0.018 4.389 4.350 0.034 0.000 0.195 158 E C -0.372 176.170 176.600 -0.098 0.000 1.028 158 E CA -0.130 56.229 56.400 -0.068 0.000 0.876 158 E CB 0.537 30.191 29.700 -0.077 0.000 0.885 158 E HN 0.069 nan 8.360 nan 0.000 0.500 159 K N 1.458 121.806 120.400 -0.085 0.000 3.257 159 K HA -0.142 4.199 4.320 0.034 0.000 0.270 159 K C -0.623 175.888 176.600 -0.149 0.000 0.984 159 K CA 0.844 57.076 56.287 -0.091 0.000 0.739 159 K CB -1.195 31.257 32.500 -0.079 0.000 1.351 159 K HN 0.072 nan 8.250 nan 0.000 0.463 160 K N -0.566 119.745 120.400 -0.150 0.000 2.536 160 K HA 0.483 4.823 4.320 0.034 0.000 0.269 160 K C -2.637 173.914 176.600 -0.081 0.000 0.965 160 K CA -1.906 54.255 56.287 -0.210 0.000 0.860 160 K CB 2.382 34.687 32.500 -0.325 0.000 1.423 160 K HN -0.137 nan 8.250 nan 0.000 0.438 161 P HA 0.224 nan 4.420 nan 0.000 0.274 161 P C -0.357 176.976 177.300 0.056 0.000 1.237 161 P CA -0.414 62.705 63.100 0.032 0.000 0.793 161 P CB 0.891 32.621 31.700 0.050 0.000 0.977 162 V N -0.788 119.157 119.914 0.053 0.000 3.160 162 V HA 0.638 4.779 4.120 0.034 0.000 0.310 162 V C -1.511 174.661 176.094 0.130 0.000 1.181 162 V CA -1.125 61.216 62.300 0.067 0.000 1.047 162 V CB 2.056 33.884 31.823 0.008 0.000 1.068 162 V HN 0.551 nan 8.190 nan 0.000 0.441 163 Y N 1.297 121.597 120.300 0.001 0.000 2.425 163 Y HA 0.841 5.415 4.550 0.040 0.000 0.344 163 Y C -1.297 174.614 175.900 0.019 0.000 0.969 163 Y CA -1.013 57.101 58.100 0.024 0.000 1.052 163 Y CB 1.894 40.367 38.460 0.023 0.000 1.215 163 Y HN 0.845 nan 8.280 nan 0.000 0.451 164 L N 6.273 127.107 121.223 -0.649 0.000 2.408 164 L HA 0.476 4.837 4.340 0.034 0.000 0.268 164 L C -1.223 175.138 176.870 -0.848 0.000 0.986 164 L CA -0.794 53.700 54.840 -0.576 0.000 0.820 164 L CB 2.352 44.251 42.059 -0.266 0.000 1.303 164 L HN 0.767 nan 8.230 nan 0.000 0.411 165 E N 4.025 123.872 120.200 -0.588 0.000 2.277 165 E HA 0.729 5.100 4.350 0.034 0.000 0.266 165 E C -1.308 175.171 176.600 -0.202 0.000 0.901 165 E CA -0.837 55.378 56.400 -0.309 0.000 0.782 165 E CB 2.846 32.516 29.700 -0.050 0.000 1.228 165 E HN 0.457 nan 8.360 nan 0.000 0.424 166 I N 1.781 122.283 120.570 -0.113 0.000 2.497 166 I HA 0.348 4.538 4.170 0.034 0.000 0.284 166 I C -0.219 175.882 176.117 -0.026 0.000 1.060 166 I CA -1.137 60.112 61.300 -0.085 0.000 1.071 166 I CB 1.864 39.830 38.000 -0.057 0.000 1.216 166 I HN 0.782 nan 8.210 nan 0.000 0.442 167 A N 4.322 127.140 122.820 -0.003 0.000 2.580 167 A HA -0.036 4.305 4.320 0.034 0.000 0.244 167 A C 1.509 179.130 177.584 0.062 0.000 1.045 167 A CA 0.217 52.291 52.037 0.063 0.000 0.761 167 A CB -0.069 19.019 19.000 0.146 0.000 0.962 167 A HN 1.117 nan 8.150 nan 0.000 0.512 168 C N 2.054 121.408 119.300 0.089 0.000 2.419 168 C HA -0.099 4.381 4.460 0.034 0.000 0.281 168 C C 1.824 176.863 174.990 0.082 0.000 1.336 168 C CA 0.870 59.959 59.018 0.117 0.000 1.770 168 C CB -1.323 26.543 27.740 0.210 0.000 1.929 168 C HN 0.915 nan 8.230 nan 0.000 0.509 169 N N 2.465 121.209 118.700 0.074 0.000 2.398 169 N HA 0.006 4.766 4.740 0.034 0.000 0.188 169 N C 1.151 176.688 175.510 0.047 0.000 1.122 169 N CA 0.950 54.034 53.050 0.056 0.000 0.866 169 N CB -0.688 37.831 38.487 0.054 0.000 0.970 169 N HN 0.866 nan 8.380 nan 0.000 0.462 170 I N -4.729 115.869 120.570 0.046 0.000 4.082 170 I HA 0.471 4.662 4.170 0.034 0.000 0.337 170 I C 1.678 177.811 176.117 0.026 0.000 1.352 170 I CA -0.389 60.930 61.300 0.033 0.000 1.097 170 I CB 0.237 38.255 38.000 0.030 0.000 1.048 170 I HN -0.060 nan 8.210 nan 0.000 0.393 171 A N 1.324 124.163 122.820 0.031 0.000 1.940 171 A HA -0.124 4.216 4.320 0.034 0.000 0.219 171 A C 2.269 179.872 177.584 0.031 0.000 1.176 171 A CA 2.224 54.279 52.037 0.030 0.000 0.631 171 A CB -0.636 18.387 19.000 0.037 0.000 0.814 171 A HN 0.499 nan 8.150 nan 0.000 0.446 172 S N -0.606 115.111 115.700 0.029 0.000 2.556 172 S HA 0.284 4.774 4.470 0.034 0.000 0.216 172 S C 0.499 175.114 174.600 0.025 0.000 0.970 172 S CA -0.283 57.933 58.200 0.026 0.000 0.912 172 S CB -0.135 63.078 63.200 0.021 0.000 0.790 172 S HN 0.398 nan 8.310 nan 0.000 0.504 173 M N 2.910 122.525 119.600 0.025 0.000 2.228 173 M HA 0.272 4.773 4.480 0.034 0.000 0.351 173 M C -2.632 173.683 176.300 0.026 0.000 1.233 173 M CA -2.446 52.867 55.300 0.022 0.000 1.129 173 M CB -0.269 32.342 32.600 0.017 0.000 1.604 173 M HN -0.161 nan 8.290 nan 0.000 0.457 174 P HA 0.149 nan 4.420 nan 0.000 0.268 174 P C -0.790 176.528 177.300 0.030 0.000 1.205 174 P CA -0.299 62.824 63.100 0.039 0.000 0.771 174 P CB 0.504 32.223 31.700 0.032 0.000 0.858 175 C N 0.261 119.591 119.300 0.050 0.000 3.314 175 C HA 0.864 5.345 4.460 0.034 0.000 0.344 175 C C -0.035 174.978 174.990 0.037 0.000 1.461 175 C CA -1.052 57.967 59.018 0.001 0.000 1.249 175 C CB 0.940 28.633 27.740 -0.079 0.000 1.632 175 C HN 0.663 nan 8.230 nan 0.000 0.452 176 A N 0.787 123.587 122.820 -0.033 0.000 2.448 176 A HA 0.567 4.907 4.320 0.034 0.000 0.239 176 A C 0.656 178.300 177.584 0.101 0.000 1.080 176 A CA 0.553 52.598 52.037 0.013 0.000 0.779 176 A CB -0.447 18.533 19.000 -0.033 0.000 1.026 176 A HN 2.460 nan 8.150 nan 0.000 0.499 177 A N 2.286 125.144 122.820 0.063 0.000 2.340 177 A HA 0.633 4.974 4.320 0.034 0.000 0.268 177 A C -2.168 175.353 177.584 -0.105 0.000 1.100 177 A CA -1.479 50.463 52.037 -0.158 0.000 0.803 177 A CB -0.227 18.705 19.000 -0.114 0.000 1.043 177 A HN 0.692 nan 8.150 nan 0.000 0.488 178 P HA 0.225 nan 4.420 nan 0.000 0.276 178 P C 0.527 177.677 177.300 -0.249 0.000 1.243 178 P CA 0.268 63.094 63.100 -0.457 0.000 0.768 178 P CB 0.927 32.091 31.700 -0.894 0.000 0.856 179 G N 4.703 113.431 108.800 -0.120 0.000 2.486 179 G HA2 0.270 4.251 3.960 0.034 0.000 0.272 179 G HA3 0.270 4.251 3.960 0.034 0.000 0.272 179 G C -2.299 172.556 174.900 -0.075 0.000 1.426 179 G CA -0.991 44.066 45.100 -0.072 0.000 1.058 179 G HN 0.352 nan 8.290 nan 0.000 0.531 180 P HA 0.222 nan 4.420 nan 0.000 0.266 180 P C 0.567 177.865 177.300 -0.003 0.000 1.195 180 P CA 0.472 63.562 63.100 -0.017 0.000 0.768 180 P CB 0.993 32.694 31.700 0.000 0.000 0.838 181 A N 2.608 125.441 122.820 0.022 0.000 2.019 181 A HA -0.174 4.167 4.320 0.034 0.000 0.219 181 A C 2.089 179.784 177.584 0.185 0.000 1.164 181 A CA 2.000 54.089 52.037 0.087 0.000 0.644 181 A CB -1.551 17.523 19.000 0.123 0.000 0.805 181 A HN 0.614 nan 8.150 nan 0.000 0.449 182 S N 0.358 116.135 115.700 0.128 0.000 2.400 182 S HA -0.048 4.443 4.470 0.034 0.000 0.232 182 S C 2.029 176.719 174.600 0.149 0.000 1.025 182 S CA 1.245 59.534 58.200 0.149 0.000 0.993 182 S CB -0.705 62.531 63.200 0.060 0.000 0.808 182 S HN 0.903 nan 8.310 nan 0.000 0.478 183 A N 2.072 124.938 122.820 0.076 0.000 1.972 183 A HA 0.129 4.470 4.320 0.034 0.000 0.219 183 A C 2.259 179.849 177.584 0.010 0.000 1.169 183 A CA 1.309 53.369 52.037 0.038 0.000 0.635 183 A CB -0.814 18.193 19.000 0.012 0.000 0.810 183 A HN 0.561 nan 8.150 nan 0.000 0.446 184 L N -2.246 118.956 121.223 -0.036 0.000 2.201 184 L HA -0.098 4.262 4.340 0.034 0.000 0.212 184 L C 1.733 178.393 176.870 -0.349 0.000 1.105 184 L CA 0.981 55.680 54.840 -0.236 0.000 0.775 184 L CB -0.416 41.403 42.059 -0.400 0.000 0.913 184 L HN 0.417 nan 8.230 nan 0.000 0.440 185 F N -1.057 118.876 119.950 -0.028 0.000 2.727 185 F HA 0.097 4.646 4.527 0.036 0.000 0.302 185 F C 1.008 176.792 175.800 -0.026 0.000 1.097 185 F CA -0.611 57.370 58.000 -0.031 0.000 1.330 185 F CB -0.418 38.559 39.000 -0.038 0.000 1.084 185 F HN -0.004 nan 8.300 nan 0.000 0.578 186 N N 1.842 120.608 118.700 0.109 0.000 2.423 186 N HA -0.047 4.714 4.740 0.034 0.000 0.275 186 N C -0.546 174.996 175.510 0.053 0.000 1.283 186 N CA 0.294 53.387 53.050 0.072 0.000 0.932 186 N CB 0.001 38.518 38.487 0.050 0.000 1.185 186 N HN 0.052 nan 8.380 nan 0.000 0.483 187 D N 1.064 121.501 120.400 0.062 0.000 2.592 187 D HA 0.228 4.889 4.640 0.034 0.000 0.259 187 D C -0.597 175.756 176.300 0.088 0.000 1.144 187 D CA -0.533 53.511 54.000 0.072 0.000 1.080 187 D CB 0.881 41.728 40.800 0.078 0.000 1.225 187 D HN 0.635 nan 8.370 nan 0.000 0.619 188 E N -0.115 120.160 120.200 0.125 0.000 2.277 188 E HA 0.609 4.979 4.350 0.034 0.000 0.274 188 E C -0.789 175.930 176.600 0.198 0.000 1.022 188 E CA -1.062 55.407 56.400 0.114 0.000 0.853 188 E CB 1.515 31.255 29.700 0.066 0.000 1.086 188 E HN 0.354 nan 8.360 nan 0.000 0.397 189 A N 2.578 125.475 122.820 0.129 0.000 2.296 189 A HA 0.284 4.624 4.320 0.034 0.000 0.264 189 A C 0.025 177.679 177.584 0.116 0.000 1.097 189 A CA -0.611 51.517 52.037 0.152 0.000 0.811 189 A CB 0.448 19.497 19.000 0.082 0.000 1.072 189 A HN 0.658 nan 8.150 nan 0.000 0.495 190 S N 0.631 116.416 115.700 0.140 0.000 2.533 190 S HA 0.143 4.634 4.470 0.034 0.000 0.282 190 S C -0.005 174.598 174.600 0.004 0.000 1.304 190 S CA -0.089 58.120 58.200 0.016 0.000 1.063 190 S CB 0.340 63.572 63.200 0.054 0.000 0.881 190 S HN 0.725 nan 8.310 nan 0.000 0.493 191 D N 1.630 122.017 120.400 -0.022 0.000 2.412 191 D HA 0.022 4.683 4.640 0.034 0.000 0.257 191 D C 1.074 177.375 176.300 0.001 0.000 1.217 191 D CA 0.066 54.064 54.000 -0.004 0.000 0.897 191 D CB 0.625 41.424 40.800 -0.001 0.000 1.132 191 D HN 0.534 nan 8.370 nan 0.000 0.493 192 E N 3.858 124.061 120.200 0.005 0.000 2.058 192 E HA -0.219 4.151 4.350 0.034 0.000 0.194 192 E C 1.804 178.401 176.600 -0.005 0.000 0.997 192 E CA 1.867 58.268 56.400 0.001 0.000 0.801 192 E CB -0.356 29.346 29.700 0.004 0.000 0.746 192 E HN 0.573 nan 8.360 nan 0.000 0.450 193 A N -0.207 122.616 122.820 0.005 0.000 1.908 193 A HA -0.195 4.146 4.320 0.034 0.000 0.218 193 A C 2.444 180.030 177.584 0.003 0.000 1.181 193 A CA 2.063 54.106 52.037 0.010 0.000 0.627 193 A CB -0.753 18.264 19.000 0.028 0.000 0.818 193 A HN 0.306 nan 8.150 nan 0.000 0.445 194 S N -0.552 115.159 115.700 0.017 0.000 2.355 194 S HA -0.119 4.371 4.470 0.034 0.000 0.222 194 S C 1.877 176.392 174.600 -0.142 0.000 1.031 194 S CA 1.321 59.532 58.200 0.018 0.000 0.993 194 S CB -0.486 62.762 63.200 0.081 0.000 0.859 194 S HN 0.512 nan 8.310 nan 0.000 0.453 195 L N 3.042 124.218 121.223 -0.079 0.000 2.013 195 L HA -0.137 4.224 4.340 0.034 0.000 0.212 195 L C 1.635 178.442 176.870 -0.106 0.000 1.073 195 L CA 1.814 56.613 54.840 -0.069 0.000 0.753 195 L CB -1.114 40.935 42.059 -0.016 0.000 0.890 195 L HN 0.144 nan 8.230 nan 0.000 0.432 196 N N 0.256 118.899 118.700 -0.095 0.000 2.084 196 N HA -0.130 4.630 4.740 0.034 0.000 0.190 196 N C 1.842 177.263 175.510 -0.149 0.000 1.030 196 N CA 1.768 54.764 53.050 -0.091 0.000 0.849 196 N CB -0.649 37.808 38.487 -0.051 0.000 1.012 196 N HN 0.539 nan 8.380 nan 0.000 0.423 197 A N 0.921 123.609 122.820 -0.220 0.000 1.898 197 A HA 0.065 4.406 4.320 0.034 0.000 0.216 197 A C 2.353 179.550 177.584 -0.645 0.000 1.181 197 A CA 1.873 53.724 52.037 -0.311 0.000 0.620 197 A CB -0.850 18.045 19.000 -0.175 0.000 0.819 197 A HN 0.316 nan 8.150 nan 0.000 0.442 198 A N -0.628 121.610 122.820 -0.970 0.000 1.902 198 A HA -0.018 4.323 4.320 0.034 0.000 0.217 198 A C 2.236 179.712 177.584 -0.180 0.000 1.181 198 A CA 1.864 53.394 52.037 -0.845 0.000 0.623 198 A CB -0.845 17.805 19.000 -0.583 0.000 0.818 198 A HN 0.374 nan 8.150 nan 0.000 0.443 199 V N -0.315 119.538 119.914 -0.100 0.000 2.379 199 V HA -0.219 3.921 4.120 0.034 0.000 0.245 199 V C 2.495 178.563 176.094 -0.043 0.000 1.044 199 V CA 2.175 64.442 62.300 -0.056 0.000 1.036 199 V CB -0.574 31.185 31.823 -0.105 0.000 0.664 199 V HN 0.752 nan 8.190 nan 0.000 0.453 200 E N -0.204 119.959 120.200 -0.061 0.000 2.077 200 E HA -0.230 4.141 4.350 0.034 0.000 0.193 200 E C 2.212 178.829 176.600 0.028 0.000 0.989 200 E CA 1.159 57.550 56.400 -0.016 0.000 0.800 200 E CB 0.041 29.729 29.700 -0.020 0.000 0.746 200 E HN 0.530 nan 8.360 nan 0.000 0.452 201 E N -0.158 120.055 120.200 0.022 0.000 2.150 201 E HA -0.119 4.252 4.350 0.034 0.000 0.193 201 E C 2.108 178.798 176.600 0.150 0.000 0.985 201 E CA 1.248 57.712 56.400 0.106 0.000 0.814 201 E CB -0.220 29.576 29.700 0.160 0.000 0.752 201 E HN 0.292 nan 8.360 nan 0.000 0.466 202 T N 1.813 116.438 114.554 0.118 0.000 2.777 202 T HA -0.045 4.325 4.350 0.034 0.000 0.266 202 T C 2.164 176.981 174.700 0.194 0.000 1.040 202 T CA 0.647 62.847 62.100 0.168 0.000 1.141 202 T CB -0.177 68.776 68.868 0.142 0.000 0.868 202 T HN 0.086 nan 8.240 nan 0.000 0.444 203 L N 0.753 122.048 121.223 0.118 0.000 2.046 203 L HA -0.080 4.281 4.340 0.034 0.000 0.208 203 L C 2.726 179.661 176.870 0.107 0.000 1.077 203 L CA 1.336 56.236 54.840 0.100 0.000 0.747 203 L CB -0.481 41.611 42.059 0.055 0.000 0.896 203 L HN 0.213 nan 8.230 nan 0.000 0.432 204 K N -0.029 120.441 120.400 0.117 0.000 2.097 204 K HA -0.228 4.113 4.320 0.034 0.000 0.206 204 K C 2.201 178.884 176.600 0.139 0.000 1.049 204 K CA 1.441 57.794 56.287 0.110 0.000 0.933 204 K CB -0.141 32.427 32.500 0.113 0.000 0.717 204 K HN 0.088 nan 8.250 nan 0.000 0.442 205 F N 2.042 122.022 119.950 0.051 0.000 2.146 205 F HA -0.091 4.457 4.527 0.035 0.000 0.298 205 F C 1.682 177.510 175.800 0.047 0.000 1.096 205 F CA 1.392 59.423 58.000 0.053 0.000 1.275 205 F CB 0.017 39.057 39.000 0.067 0.000 1.008 205 F HN 0.060 nan 8.300 nan 0.000 0.480 206 I N -1.876 118.777 120.570 0.139 0.000 3.861 206 I HA 0.364 4.555 4.170 0.034 0.000 0.329 206 I C 1.756 177.875 176.117 0.003 0.000 1.321 206 I CA 0.572 61.899 61.300 0.045 0.000 1.126 206 I CB -0.807 37.288 38.000 0.158 0.000 1.018 206 I HN 0.067 nan 8.210 nan 0.000 0.407 207 A N 2.329 125.147 122.820 -0.004 0.000 1.883 207 A HA -0.122 4.219 4.320 0.034 0.000 0.217 207 A C 1.533 179.101 177.584 -0.027 0.000 1.186 207 A CA 1.598 53.633 52.037 -0.004 0.000 0.624 207 A CB -0.464 18.538 19.000 0.003 0.000 0.822 207 A HN 0.576 nan 8.150 nan 0.000 0.444 208 N N -0.043 118.619 118.700 -0.063 0.000 2.458 208 N HA 0.212 4.973 4.740 0.034 0.000 0.274 208 N C -0.842 174.615 175.510 -0.089 0.000 1.242 208 N CA 0.063 53.075 53.050 -0.064 0.000 0.904 208 N CB 0.527 38.977 38.487 -0.061 0.000 1.206 208 N HN 0.395 nan 8.380 nan 0.000 0.510 209 R N 0.167 120.614 120.500 -0.088 0.000 2.576 209 R HA 0.138 4.498 4.340 0.034 0.000 0.283 209 R C -0.220 176.057 176.300 -0.037 0.000 1.493 209 R CA -0.333 55.714 56.100 -0.089 0.000 1.170 209 R CB 1.106 31.311 30.300 -0.157 0.000 1.189 209 R HN -0.072 nan 8.270 nan 0.000 0.542 210 D N 1.544 121.930 120.400 -0.025 0.000 2.323 210 D HA -0.033 4.628 4.640 0.034 0.000 0.209 210 D C -0.159 176.142 176.300 0.003 0.000 0.973 210 D CA 0.858 54.856 54.000 -0.004 0.000 0.874 210 D CB 0.558 41.360 40.800 0.003 0.000 0.930 210 D HN 0.161 nan 8.370 nan 0.000 0.521 211 K N 0.611 121.004 120.400 -0.012 0.000 2.222 211 K HA 0.237 4.578 4.320 0.034 0.000 0.243 211 K C -0.990 175.609 176.600 -0.001 0.000 1.160 211 K CA -0.313 55.965 56.287 -0.015 0.000 1.090 211 K CB 1.443 33.902 32.500 -0.068 0.000 1.694 211 K HN -0.060 nan 8.250 nan 0.000 0.361 212 V N 1.972 121.897 119.914 0.019 0.000 2.407 212 V HA 0.442 4.582 4.120 0.034 0.000 0.278 212 V C 0.152 176.261 176.094 0.025 0.000 1.037 212 V CA -0.822 61.502 62.300 0.041 0.000 0.900 212 V CB 1.235 33.090 31.823 0.053 0.000 0.983 212 V HN 0.620 nan 8.190 nan 0.000 0.459 213 A N 4.710 127.553 122.820 0.038 0.000 2.340 213 A HA 0.869 5.209 4.320 0.034 0.000 0.331 213 A C -0.763 176.843 177.584 0.035 0.000 1.140 213 A CA -0.595 51.450 52.037 0.015 0.000 0.801 213 A CB 1.711 20.718 19.000 0.011 0.000 1.234 213 A HN 0.626 nan 8.150 nan 0.000 0.469 214 V N 2.523 122.432 119.914 -0.009 0.000 2.384 214 V HA 0.347 4.487 4.120 0.034 0.000 0.287 214 V C -0.727 175.352 176.094 -0.025 0.000 1.020 214 V CA -0.400 61.912 62.300 0.020 0.000 0.850 214 V CB 1.144 32.962 31.823 -0.007 0.000 0.987 214 V HN 0.737 nan 8.190 nan 0.000 0.436 215 L N 7.221 128.458 121.223 0.023 0.000 2.264 215 L HA 0.526 4.886 4.340 0.034 0.000 0.287 215 L C -0.174 176.691 176.870 -0.009 0.000 1.039 215 L CA 0.155 54.998 54.840 0.006 0.000 0.829 215 L CB 1.371 43.468 42.059 0.063 0.000 1.211 215 L HN 0.446 nan 8.230 nan 0.000 0.427 216 V N 5.257 125.146 119.914 -0.042 0.000 2.488 216 V HA 0.601 4.741 4.120 0.034 0.000 0.277 216 V C 0.962 177.037 176.094 -0.030 0.000 1.046 216 V CA 0.004 62.298 62.300 -0.011 0.000 0.986 216 V CB 0.746 32.572 31.823 0.006 0.000 0.989 216 V HN 0.894 nan 8.190 nan 0.000 0.475 217 G N 2.436 111.231 108.800 -0.009 0.000 2.471 217 G HA2 0.444 4.425 3.960 0.034 0.000 0.332 217 G HA3 0.444 4.425 3.960 0.034 0.000 0.332 217 G C 0.775 175.707 174.900 0.053 0.000 1.176 217 G CA 0.124 45.179 45.100 -0.074 0.000 0.949 217 G HN 0.811 nan 8.290 nan 0.000 0.488 218 S N -0.549 115.134 115.700 -0.027 0.000 2.603 218 S HA 0.004 4.495 4.470 0.034 0.000 0.229 218 S C 1.327 176.072 174.600 0.242 0.000 0.972 218 S CA 0.532 58.805 58.200 0.122 0.000 0.935 218 S CB 0.023 63.165 63.200 -0.096 0.000 0.769 218 S HN 0.535 nan 8.310 nan 0.000 0.536 219 K N 0.118 120.570 120.400 0.087 0.000 2.387 219 K HA 0.300 4.641 4.320 0.034 0.000 0.198 219 K C 1.202 177.792 176.600 -0.018 0.000 1.022 219 K CA -0.182 56.118 56.287 0.022 0.000 1.128 219 K CB -0.000 32.486 32.500 -0.024 0.000 0.853 219 K HN 0.220 nan 8.250 nan 0.000 0.523 220 L N 1.615 122.846 121.223 0.014 0.000 2.046 220 L HA -0.144 4.216 4.340 0.034 0.000 0.208 220 L C 2.328 179.060 176.870 -0.229 0.000 1.077 220 L CA 1.766 56.570 54.840 -0.060 0.000 0.747 220 L CB -0.295 41.793 42.059 0.049 0.000 0.896 220 L HN 0.084 nan 8.230 nan 0.000 0.432 221 R N -0.733 119.453 120.500 -0.523 0.000 2.075 221 R HA -0.107 4.253 4.340 0.034 0.000 0.232 221 R C 2.186 178.338 176.300 -0.245 0.000 1.126 221 R CA 1.223 57.021 56.100 -0.503 0.000 0.963 221 R CB -0.380 29.439 30.300 -0.802 0.000 0.858 221 R HN 0.431 nan 8.270 nan 0.000 0.435 222 A N 0.900 123.614 122.820 -0.177 0.000 1.917 222 A HA -0.150 4.191 4.320 0.034 0.000 0.219 222 A C 2.226 179.763 177.584 -0.078 0.000 1.182 222 A CA 1.852 53.830 52.037 -0.099 0.000 0.633 222 A CB -0.761 18.196 19.000 -0.071 0.000 0.819 222 A HN 0.539 nan 8.150 nan 0.000 0.448 223 A N -1.345 121.431 122.820 -0.074 0.000 2.238 223 A HA 0.410 4.751 4.320 0.034 0.000 0.208 223 A C 1.700 179.250 177.584 -0.057 0.000 1.177 223 A CA 1.070 53.082 52.037 -0.041 0.000 0.804 223 A CB -1.249 17.743 19.000 -0.014 0.000 0.823 223 A HN 1.925 nan 8.150 nan 0.000 0.482 224 G N -1.435 107.313 108.800 -0.088 0.000 2.390 224 G HA2 -0.008 3.972 3.960 0.034 0.000 0.299 224 G HA3 -0.008 3.972 3.960 0.034 0.000 0.299 224 G C 0.577 175.436 174.900 -0.069 0.000 1.002 224 G CA 0.429 45.475 45.100 -0.090 0.000 0.979 224 G HN 1.601 nan 8.290 nan 0.000 0.513 225 A N -1.135 121.649 122.820 -0.059 0.000 2.610 225 A HA 0.609 4.949 4.320 0.034 0.000 0.291 225 A C 1.324 178.909 177.584 0.001 0.000 1.116 225 A CA 0.945 52.971 52.037 -0.018 0.000 0.963 225 A CB 0.264 19.271 19.000 0.011 0.000 1.220 225 A HN 0.469 nan 8.150 nan 0.000 0.530 226 E N 0.257 120.436 120.200 -0.034 0.000 2.051 226 E HA -0.228 4.142 4.350 0.034 0.000 0.192 226 E C 1.730 178.341 176.600 0.020 0.000 0.991 226 E CA 1.521 57.918 56.400 -0.005 0.000 0.799 226 E CB 0.011 29.672 29.700 -0.066 0.000 0.748 226 E HN 0.773 nan 8.360 nan 0.000 0.449 227 E N 0.226 120.418 120.200 -0.013 0.000 2.077 227 E HA -0.215 4.155 4.350 0.034 0.000 0.193 227 E C 2.006 178.619 176.600 0.023 0.000 0.989 227 E CA 0.967 57.359 56.400 -0.013 0.000 0.800 227 E CB -0.061 29.622 29.700 -0.028 0.000 0.746 227 E HN 0.242 nan 8.360 nan 0.000 0.452 228 A N 1.058 123.897 122.820 0.031 0.000 1.933 228 A HA -0.134 4.207 4.320 0.034 0.000 0.218 228 A C 2.368 180.022 177.584 0.117 0.000 1.175 228 A CA 1.762 53.831 52.037 0.052 0.000 0.628 228 A CB -0.734 18.285 19.000 0.032 0.000 0.814 228 A HN 0.404 nan 8.150 nan 0.000 0.444 229 A N -0.484 122.427 122.820 0.152 0.000 1.933 229 A HA -0.009 4.332 4.320 0.034 0.000 0.218 229 A C 2.208 180.004 177.584 0.353 0.000 1.175 229 A CA 1.814 54.012 52.037 0.268 0.000 0.628 229 A CB -0.882 18.291 19.000 0.288 0.000 0.814 229 A HN 0.416 nan 8.150 nan 0.000 0.444 230 V N 0.262 120.324 119.914 0.247 0.000 2.343 230 V HA -0.291 3.849 4.120 0.034 0.000 0.247 230 V C 2.410 178.588 176.094 0.140 0.000 1.051 230 V CA 2.332 64.736 62.300 0.173 0.000 1.036 230 V CB -0.768 31.024 31.823 -0.051 0.000 0.654 230 V HN 0.557 nan 8.190 nan 0.000 0.451 231 K N -0.370 120.096 120.400 0.110 0.000 2.032 231 K HA -0.216 4.124 4.320 0.034 0.000 0.209 231 K C 2.149 178.815 176.600 0.109 0.000 1.048 231 K CA 2.042 58.380 56.287 0.086 0.000 0.927 231 K CB -0.481 32.060 32.500 0.069 0.000 0.712 231 K HN 0.426 nan 8.250 nan 0.000 0.441 232 F N 2.018 121.969 119.950 0.002 0.000 2.069 232 F HA -0.213 4.334 4.527 0.035 0.000 0.298 232 F C 2.267 178.043 175.800 -0.039 0.000 1.113 232 F CA 1.386 59.368 58.000 -0.031 0.000 1.214 232 F CB -0.727 38.247 39.000 -0.042 0.000 0.978 232 F HN 0.008 nan 8.300 nan 0.000 0.474 233 A N 0.288 122.990 122.820 -0.197 0.000 1.892 233 A HA -0.251 4.089 4.320 0.034 0.000 0.218 233 A C 2.024 179.322 177.584 -0.477 0.000 1.188 233 A CA 2.201 54.029 52.037 -0.350 0.000 0.631 233 A CB -1.225 17.822 19.000 0.079 0.000 0.822 233 A HN 0.494 nan 8.150 nan 0.000 0.447 234 D N -0.203 120.077 120.400 -0.200 0.000 2.144 234 D HA -0.031 4.630 4.640 0.034 0.000 0.199 234 D C 2.177 178.382 176.300 -0.159 0.000 0.984 234 D CA 1.493 55.417 54.000 -0.127 0.000 0.834 234 D CB -0.380 40.453 40.800 0.054 0.000 0.955 234 D HN 0.458 nan 8.370 nan 0.000 0.465 235 A N 0.471 123.195 122.820 -0.161 0.000 1.897 235 A HA -0.064 4.276 4.320 0.034 0.000 0.215 235 A C 2.137 179.602 177.584 -0.198 0.000 1.181 235 A CA 0.722 52.688 52.037 -0.119 0.000 0.620 235 A CB -0.604 18.369 19.000 -0.045 0.000 0.821 235 A HN 0.232 nan 8.150 nan 0.000 0.443 236 L N -0.443 120.541 121.223 -0.398 0.000 2.027 236 L HA 0.134 4.494 4.340 0.034 0.000 0.206 236 L C 1.727 178.423 176.870 -0.290 0.000 1.074 236 L CA 2.284 56.877 54.840 -0.411 0.000 0.745 236 L CB -0.699 40.901 42.059 -0.764 0.000 0.898 236 L HN 0.801 nan 8.230 nan 0.000 0.433 237 G N -1.501 107.045 108.800 -0.422 0.000 2.153 237 G HA2 -0.226 3.754 3.960 0.034 0.000 0.252 237 G HA3 -0.226 3.754 3.960 0.034 0.000 0.252 237 G C 0.624 175.478 174.900 -0.077 0.000 0.994 237 G CA 0.324 45.280 45.100 -0.241 0.000 0.698 237 G HN 0.889 nan 8.290 nan 0.000 0.521 238 G N -0.713 107.973 108.800 -0.190 0.000 2.537 238 G HA2 0.791 4.771 3.960 0.034 0.000 0.297 238 G HA3 0.791 4.771 3.960 0.034 0.000 0.297 238 G C 0.405 175.295 174.900 -0.016 0.000 1.310 238 G CA 0.206 45.265 45.100 -0.069 0.000 1.027 238 G HN 1.512 nan 8.290 nan 0.000 0.505 239 A N -0.991 121.827 122.820 -0.003 0.000 2.363 239 A HA 0.558 4.898 4.320 0.034 0.000 0.270 239 A C -0.335 177.188 177.584 -0.102 0.000 1.121 239 A CA -0.271 51.746 52.037 -0.033 0.000 0.800 239 A CB 0.778 19.745 19.000 -0.054 0.000 1.052 239 A HN 0.767 nan 8.150 nan 0.000 0.493 240 V N 2.189 122.022 119.914 -0.134 0.000 2.378 240 V HA 0.632 4.772 4.120 0.034 0.000 0.288 240 V C 0.479 176.449 176.094 -0.207 0.000 1.016 240 V CA -0.142 62.019 62.300 -0.231 0.000 0.840 240 V CB 1.005 32.525 31.823 -0.505 0.000 0.994 240 V HN 1.170 nan 8.190 nan 0.000 0.431 241 A N 3.594 126.304 122.820 -0.183 0.000 2.337 241 A HA 0.933 5.274 4.320 0.034 0.000 0.331 241 A C 0.152 177.708 177.584 -0.047 0.000 1.137 241 A CA -0.532 51.407 52.037 -0.164 0.000 0.807 241 A CB 1.526 20.429 19.000 -0.163 0.000 1.250 241 A HN 0.859 nan 8.150 nan 0.000 0.468 242 T N 0.001 114.571 114.554 0.027 0.000 2.823 242 T HA 0.630 5.001 4.350 0.034 0.000 0.279 242 T C 0.162 174.790 174.700 -0.120 0.000 0.998 242 T CA -0.565 61.528 62.100 -0.011 0.000 0.994 242 T CB 0.649 69.546 68.868 0.049 0.000 0.960 242 T HN 0.543 nan 8.240 nan 0.000 0.448 243 M N 2.232 121.724 119.600 -0.179 0.000 2.245 243 M HA 0.321 4.822 4.480 0.034 0.000 0.330 243 M C 1.929 177.958 176.300 -0.451 0.000 1.098 243 M CA -0.507 54.619 55.300 -0.290 0.000 1.172 243 M CB 0.447 32.859 32.600 -0.314 0.000 1.467 243 M HN 0.968 nan 8.290 nan 0.000 0.454 244 A N 2.141 124.530 122.820 -0.718 0.000 1.903 244 A HA -0.205 4.136 4.320 0.034 0.000 0.219 244 A C 2.109 179.115 177.584 -0.964 0.000 1.191 244 A CA 2.529 53.956 52.037 -1.016 0.000 0.638 244 A CB -1.128 16.607 19.000 -2.110 0.000 0.823 244 A HN 0.969 nan 8.150 nan 0.000 0.451 245 A N -1.109 121.163 122.820 -0.912 0.000 2.168 245 A HA 0.396 4.737 4.320 0.034 0.000 0.215 245 A C 1.981 179.190 177.584 -0.626 0.000 1.152 245 A CA 1.382 52.965 52.037 -0.756 0.000 0.716 245 A CB -0.571 18.068 19.000 -0.602 0.000 0.794 245 A HN 1.143 nan 8.150 nan 0.000 0.465 246 A N -0.570 121.887 122.820 -0.605 0.000 2.337 246 A HA 0.253 4.593 4.320 0.034 0.000 0.227 246 A C 0.914 178.052 177.584 -0.744 0.000 1.259 246 A CA -0.146 51.433 52.037 -0.762 0.000 0.870 246 A CB -0.379 18.451 19.000 -0.283 0.000 0.927 246 A HN 0.401 nan 8.150 nan 0.000 0.497 247 K N 1.061 121.164 120.400 -0.496 0.000 2.484 247 K HA 0.159 4.499 4.320 0.034 0.000 0.280 247 K C 1.016 177.467 176.600 -0.249 0.000 1.013 247 K CA 0.958 57.100 56.287 -0.243 0.000 1.029 247 K CB 0.083 32.569 32.500 -0.023 0.000 0.902 247 K HN 0.859 nan 8.250 nan 0.000 0.481 248 S N 2.648 118.287 115.700 -0.101 0.000 2.765 248 S HA -0.150 4.341 4.470 0.034 0.000 0.266 248 S C 0.636 175.371 174.600 0.224 0.000 1.302 248 S CA 0.785 58.993 58.200 0.013 0.000 1.274 248 S CB -1.803 61.410 63.200 0.022 0.000 1.559 248 S HN 0.599 nan 8.310 nan 0.000 0.658 249 F N 0.998 120.940 119.950 -0.015 0.000 2.748 249 F HA 0.578 5.125 4.527 0.034 0.000 0.299 249 F C 0.819 176.665 175.800 0.076 0.000 1.154 249 F CA -0.382 57.627 58.000 0.015 0.000 1.446 249 F CB -0.403 38.607 39.000 0.016 0.000 1.112 249 F HN 0.518 nan 8.300 nan 0.000 0.584 250 F N 1.662 121.627 119.950 0.024 0.000 2.581 250 F HA 0.497 5.044 4.527 0.034 0.000 0.311 250 F C -2.582 173.085 175.800 -0.220 0.000 1.113 250 F CA -2.951 54.997 58.000 -0.086 0.000 0.935 250 F CB 1.643 40.581 39.000 -0.102 0.000 1.232 250 F HN -0.333 nan 8.300 nan 0.000 0.445 251 P HA 0.072 nan 4.420 nan 0.000 0.266 251 P C -0.344 176.718 177.300 -0.397 0.000 1.215 251 P CA 0.380 63.186 63.100 -0.490 0.000 0.763 251 P CB 0.754 32.144 31.700 -0.516 0.000 0.806 252 E N 2.100 122.127 120.200 -0.290 0.000 2.427 252 E HA -0.094 4.276 4.350 0.034 0.000 0.196 252 E C 0.840 177.488 176.600 0.080 0.000 1.028 252 E CA 0.654 56.926 56.400 -0.213 0.000 0.864 252 E CB 0.204 29.843 29.700 -0.102 0.000 0.813 252 E HN 0.639 nan 8.360 nan 0.000 0.514 253 E N 1.060 121.264 120.200 0.005 0.000 2.489 253 E HA -0.002 4.368 4.350 0.034 0.000 0.193 253 E C 0.533 177.157 176.600 0.041 0.000 1.057 253 E CA -0.237 56.187 56.400 0.040 0.000 0.866 253 E CB 0.059 29.762 29.700 0.006 0.000 0.916 253 E HN 0.101 nan 8.360 nan 0.000 0.500 254 N N 2.483 121.205 118.700 0.037 0.000 2.492 254 N HA -0.019 4.742 4.740 0.034 0.000 0.262 254 N C -1.543 174.048 175.510 0.134 0.000 1.202 254 N CA -1.114 51.983 53.050 0.079 0.000 0.926 254 N CB 1.150 39.697 38.487 0.101 0.000 1.078 254 N HN -0.110 nan 8.380 nan 0.000 0.454 255 P HA -0.085 nan 4.420 nan 0.000 0.228 255 P C 0.337 177.551 177.300 -0.144 0.000 1.151 255 P CA 1.263 64.292 63.100 -0.118 0.000 0.770 255 P CB 0.112 31.651 31.700 -0.269 0.000 0.786 256 H N -2.841 116.341 119.070 0.185 0.000 2.575 256 H HA 0.077 4.653 4.556 0.034 0.000 0.267 256 H C 0.266 175.681 175.328 0.144 0.000 0.966 256 H CA -0.267 55.867 56.048 0.143 0.000 1.165 256 H CB -0.251 29.589 29.762 0.130 0.000 1.433 256 H HN 0.156 nan 8.280 nan 0.000 0.544 257 Y N 2.567 122.983 120.300 0.192 0.000 2.402 257 Y HA 0.108 4.679 4.550 0.034 0.000 0.333 257 Y C 1.355 177.222 175.900 -0.055 0.000 1.076 257 Y CA -0.726 57.429 58.100 0.092 0.000 1.299 257 Y CB 0.368 38.973 38.460 0.243 0.000 1.197 257 Y HN 0.074 nan 8.280 nan 0.000 0.517 258 I N 2.450 122.565 120.570 -0.759 0.000 4.082 258 I HA 0.635 4.826 4.170 0.034 0.000 0.337 258 I C 0.800 176.389 176.117 -0.880 0.000 1.352 258 I CA 0.402 61.158 61.300 -0.906 0.000 1.097 258 I CB 0.020 37.225 38.000 -1.325 0.000 1.048 258 I HN 0.781 nan 8.210 nan 0.000 0.393 259 G N 1.356 109.248 108.800 -1.513 0.000 2.384 259 G HA2 -0.127 3.853 3.960 0.034 0.000 0.204 259 G HA3 -0.127 3.853 3.960 0.034 0.000 0.204 259 G C -0.517 173.864 174.900 -0.865 0.000 1.237 259 G CA -0.337 44.015 45.100 -1.245 0.000 1.060 259 G HN 0.158 nan 8.290 nan 0.000 0.514 260 T N 0.671 114.660 114.554 -0.941 0.000 2.817 260 T HA 0.553 4.924 4.350 0.034 0.000 0.293 260 T C 0.463 175.123 174.700 -0.067 0.000 0.964 260 T CA 0.790 62.670 62.100 -0.367 0.000 1.085 260 T CB 1.396 70.135 68.868 -0.216 0.000 0.921 260 T HN 1.142 nan 8.240 nan 0.000 0.502 261 S N 2.608 118.295 115.700 -0.021 0.000 2.442 261 S HA 0.527 5.017 4.470 0.034 0.000 0.297 261 S C -1.183 173.537 174.600 0.200 0.000 1.131 261 S CA -0.616 57.635 58.200 0.084 0.000 1.092 261 S CB 0.265 63.488 63.200 0.039 0.000 0.998 261 S HN 0.794 nan 8.310 nan 0.000 0.478 262 W N 5.023 126.353 121.300 0.051 0.000 0.566 262 W HA 0.346 5.026 4.660 0.034 0.000 0.309 262 W C 0.426 177.018 176.519 0.121 0.000 0.830 262 W CA -0.150 57.239 57.345 0.073 0.000 1.212 262 W CB -0.337 29.154 29.460 0.052 0.000 1.103 262 W HN 1.219 nan 8.180 nan 0.000 0.506 263 G N 2.371 111.362 108.800 0.317 0.000 2.596 263 G HA2 -0.437 3.543 3.960 0.034 0.000 0.295 263 G HA3 -0.437 3.543 3.960 0.034 0.000 0.295 263 G C 1.159 176.138 174.900 0.131 0.000 1.240 263 G CA 1.135 46.354 45.100 0.197 0.000 0.985 263 G HN 0.626 nan 8.290 nan 0.000 0.555 264 E N -0.048 120.196 120.200 0.074 0.000 2.401 264 E HA -0.025 4.345 4.350 0.034 0.000 0.199 264 E C 1.943 178.554 176.600 0.017 0.000 1.023 264 E CA 1.977 58.402 56.400 0.041 0.000 0.859 264 E CB -0.261 29.447 29.700 0.014 0.000 0.780 264 E HN 1.404 nan 8.360 nan 0.000 0.523 265 V N -1.240 118.667 119.914 -0.011 0.000 3.121 265 V HA 0.290 4.431 4.120 0.034 0.000 0.344 265 V C 0.209 176.371 176.094 0.112 0.000 1.390 265 V CA -0.732 61.541 62.300 -0.044 0.000 1.177 265 V CB 0.145 31.815 31.823 -0.256 0.000 1.163 265 V HN 0.036 nan 8.190 nan 0.000 0.484 266 S N 0.412 116.227 115.700 0.191 0.000 2.589 266 S HA 0.473 4.964 4.470 0.034 0.000 0.265 266 S C -0.164 174.629 174.600 0.323 0.000 1.342 266 S CA -0.157 58.215 58.200 0.287 0.000 1.005 266 S CB 0.263 63.600 63.200 0.229 0.000 0.909 266 S HN 0.471 nan 8.310 nan 0.000 0.555 267 Y N 1.898 122.266 120.300 0.114 0.000 2.757 267 Y HA 0.113 4.683 4.550 0.034 0.000 0.344 267 Y C -1.904 174.066 175.900 0.117 0.000 1.263 267 Y CA -1.604 56.554 58.100 0.098 0.000 1.493 267 Y CB -0.809 37.688 38.460 0.062 0.000 1.342 267 Y HN 0.407 nan 8.280 nan 0.000 0.627 268 P HA 0.041 nan 4.420 nan 0.000 0.261 268 P C 0.740 178.191 177.300 0.252 0.000 1.173 268 P CA 1.990 65.178 63.100 0.146 0.000 0.760 268 P CB 0.304 32.041 31.700 0.061 0.000 0.783 269 G N 1.739 110.662 108.800 0.204 0.000 2.347 269 G HA2 -0.345 3.636 3.960 0.034 0.000 0.247 269 G HA3 -0.345 3.636 3.960 0.034 0.000 0.247 269 G C 1.106 176.242 174.900 0.394 0.000 1.037 269 G CA 0.334 45.587 45.100 0.255 0.000 0.622 269 G HN 0.401 nan 8.290 nan 0.000 0.521 270 V N 1.159 121.290 119.914 0.361 0.000 2.407 270 V HA -0.125 4.016 4.120 0.034 0.000 0.248 270 V C 2.462 178.663 176.094 0.178 0.000 1.055 270 V CA 2.890 65.316 62.300 0.209 0.000 1.049 270 V CB -0.331 31.544 31.823 0.087 0.000 0.662 270 V HN 0.672 nan 8.190 nan 0.000 0.455 271 E N 0.582 120.891 120.200 0.180 0.000 2.058 271 E HA -0.327 4.044 4.350 0.034 0.000 0.194 271 E C 2.234 178.928 176.600 0.156 0.000 0.997 271 E CA 1.752 58.244 56.400 0.153 0.000 0.801 271 E CB -0.070 29.713 29.700 0.140 0.000 0.746 271 E HN 0.432 nan 8.360 nan 0.000 0.450 272 K N 0.227 120.743 120.400 0.193 0.000 2.097 272 K HA -0.080 4.260 4.320 0.034 0.000 0.206 272 K C 1.955 178.711 176.600 0.261 0.000 1.049 272 K CA 2.007 58.430 56.287 0.227 0.000 0.933 272 K CB -0.661 32.002 32.500 0.272 0.000 0.717 272 K HN 0.065 nan 8.250 nan 0.000 0.442 273 T N 1.075 115.822 114.554 0.321 0.000 2.867 273 T HA -0.073 4.298 4.350 0.034 0.000 0.268 273 T C 1.510 176.262 174.700 0.087 0.000 1.057 273 T CA 1.347 63.623 62.100 0.294 0.000 1.136 273 T CB -0.080 69.008 68.868 0.367 0.000 0.874 273 T HN 0.133 nan 8.240 nan 0.000 0.466 274 M N 1.529 121.180 119.600 0.086 0.000 2.288 274 M HA 0.038 4.538 4.480 0.034 0.000 0.266 274 M C 2.152 178.468 176.300 0.027 0.000 1.072 274 M CA 1.213 56.544 55.300 0.050 0.000 1.132 274 M CB -0.845 31.797 32.600 0.070 0.000 1.386 274 M HN 0.402 nan 8.290 nan 0.000 0.432 275 K N -0.758 119.660 120.400 0.030 0.000 2.365 275 K HA 0.003 4.344 4.320 0.034 0.000 0.197 275 K C 1.332 177.901 176.600 -0.052 0.000 1.042 275 K CA 0.692 56.984 56.287 0.010 0.000 0.987 275 K CB 0.020 32.542 32.500 0.037 0.000 0.779 275 K HN 0.131 nan 8.250 nan 0.000 0.484 276 E N 1.205 121.323 120.200 -0.137 0.000 2.385 276 E HA 0.124 4.494 4.350 0.034 0.000 0.194 276 E C 0.241 176.684 176.600 -0.263 0.000 1.013 276 E CA 0.177 56.388 56.400 -0.315 0.000 0.866 276 E CB 0.411 29.606 29.700 -0.842 0.000 0.832 276 E HN 0.398 nan 8.360 nan 0.000 0.500 277 A N 1.754 124.481 122.820 -0.155 0.000 2.511 277 A HA -0.022 4.319 4.320 0.034 0.000 0.242 277 A C 0.645 178.199 177.584 -0.049 0.000 1.069 277 A CA 0.064 52.050 52.037 -0.084 0.000 0.763 277 A CB 0.253 19.241 19.000 -0.019 0.000 1.001 277 A HN -0.069 nan 8.150 nan 0.000 0.498 278 D N 0.773 121.149 120.400 -0.041 0.000 2.289 278 D HA 0.257 4.917 4.640 0.034 0.000 0.207 278 D C 0.543 176.854 176.300 0.017 0.000 0.966 278 D CA 1.677 55.657 54.000 -0.034 0.000 0.868 278 D CB 0.238 41.001 40.800 -0.061 0.000 0.943 278 D HN 0.694 nan 8.370 nan 0.000 0.514 279 A N 0.377 123.240 122.820 0.073 0.000 2.459 279 A HA 0.522 4.863 4.320 0.034 0.000 0.296 279 A C -1.119 176.568 177.584 0.171 0.000 1.039 279 A CA -0.551 51.609 52.037 0.204 0.000 0.698 279 A CB 1.838 20.998 19.000 0.267 0.000 1.261 279 A HN -0.106 nan 8.150 nan 0.000 0.405 280 V N 3.964 123.986 119.914 0.181 0.000 2.350 280 V HA 0.340 4.480 4.120 0.034 0.000 0.285 280 V C -0.356 175.821 176.094 0.138 0.000 1.014 280 V CA -0.108 62.272 62.300 0.134 0.000 0.831 280 V CB 1.082 32.969 31.823 0.107 0.000 1.000 280 V HN 0.726 nan 8.190 nan 0.000 0.433 281 I N 4.729 125.390 120.570 0.153 0.000 2.287 281 I HA 0.513 4.703 4.170 0.034 0.000 0.290 281 I C 0.748 176.945 176.117 0.134 0.000 1.069 281 I CA -0.151 61.242 61.300 0.156 0.000 1.237 281 I CB 1.100 39.247 38.000 0.245 0.000 1.418 281 I HN 0.633 nan 8.210 nan 0.000 0.481 282 A N 8.192 131.079 122.820 0.111 0.000 2.276 282 A HA 0.644 4.984 4.320 0.034 0.000 0.300 282 A C -0.244 177.378 177.584 0.063 0.000 1.235 282 A CA -0.422 51.677 52.037 0.103 0.000 0.867 282 A CB 0.262 19.368 19.000 0.176 0.000 1.137 282 A HN 0.742 nan 8.150 nan 0.000 0.527 283 L N 2.812 124.064 121.223 0.049 0.000 2.272 283 L HA 0.491 4.852 4.340 0.034 0.000 0.284 283 L C 0.963 177.838 176.870 0.009 0.000 1.045 283 L CA -0.025 54.840 54.840 0.043 0.000 0.842 283 L CB 0.861 42.967 42.059 0.078 0.000 1.224 283 L HN 1.093 nan 8.230 nan 0.000 0.430 284 A N 3.682 126.495 122.820 -0.013 0.000 2.578 284 A HA -0.115 4.226 4.320 0.034 0.000 0.298 284 A C -2.377 175.154 177.584 -0.089 0.000 1.472 284 A CA -0.376 51.640 52.037 -0.034 0.000 0.734 284 A CB -1.733 17.260 19.000 -0.013 0.000 1.091 284 A HN 0.458 nan 8.150 nan 0.000 0.426 285 P HA 0.509 nan 4.420 nan 0.000 0.288 285 P C -0.396 176.631 177.300 -0.456 0.000 1.267 285 P CA -0.230 62.620 63.100 -0.416 0.000 0.815 285 P CB 1.741 33.049 31.700 -0.653 0.000 0.989 286 V N 4.136 123.754 119.914 -0.493 0.000 2.334 286 V HA 0.299 4.440 4.120 0.034 0.000 0.281 286 V C -0.273 175.582 176.094 -0.399 0.000 1.016 286 V CA -0.324 61.782 62.300 -0.324 0.000 0.832 286 V CB 0.120 31.837 31.823 -0.175 0.000 0.999 286 V HN 0.326 nan 8.190 nan 0.000 0.439 287 F N 5.385 125.351 119.950 0.026 0.000 2.361 287 F HA 0.569 5.116 4.527 0.034 0.000 0.364 287 F C 0.535 176.381 175.800 0.077 0.000 1.120 287 F CA -0.571 57.461 58.000 0.053 0.000 1.102 287 F CB 0.975 40.044 39.000 0.115 0.000 1.183 287 F HN 0.698 nan 8.300 nan 0.000 0.476 288 N N 0.101 118.869 118.700 0.113 0.000 3.038 288 N HA 0.233 4.993 4.740 0.034 0.000 0.307 288 N C 0.293 175.490 175.510 -0.522 0.000 1.441 288 N CA -0.814 52.208 53.050 -0.047 0.000 0.772 288 N CB 0.313 38.784 38.487 -0.027 0.000 1.651 288 N HN 0.294 nan 8.380 nan 0.000 0.593 289 D N -1.425 118.516 120.400 -0.766 0.000 2.264 289 D HA -0.184 4.477 4.640 0.034 0.000 0.208 289 D C 0.722 176.842 176.300 -0.299 0.000 0.966 289 D CA 1.361 54.653 54.000 -1.180 0.000 0.864 289 D CB -0.297 40.081 40.800 -0.704 0.000 0.933 289 D HN 0.450 nan 8.370 nan 0.000 0.499 290 Y N 1.460 121.652 120.300 -0.179 0.000 2.347 290 Y HA 0.017 4.589 4.550 0.036 0.000 0.294 290 Y C 2.889 178.998 175.900 0.350 0.000 1.117 290 Y CA 0.569 58.798 58.100 0.216 0.000 1.184 290 Y CB -0.562 38.092 38.460 0.323 0.000 1.047 290 Y HN 0.124 nan 8.280 nan 0.000 0.546 291 S N -1.204 114.612 115.700 0.192 0.000 2.461 291 S HA -0.094 4.396 4.470 0.034 0.000 0.228 291 S C 1.685 176.412 174.600 0.211 0.000 1.005 291 S CA 1.188 59.398 58.200 0.015 0.000 0.942 291 S CB -0.983 62.123 63.200 -0.157 0.000 0.776 291 S HN 0.466 nan 8.310 nan 0.000 0.514 292 T N -1.760 112.893 114.554 0.166 0.000 3.107 292 T HA 0.212 4.583 4.350 0.034 0.000 0.249 292 T C 0.373 175.181 174.700 0.180 0.000 1.096 292 T CA 0.445 62.656 62.100 0.185 0.000 1.012 292 T CB -0.870 68.071 68.868 0.121 0.000 0.977 292 T HN 0.333 nan 8.240 nan 0.000 0.527 293 T N 1.637 116.342 114.554 0.252 0.000 3.655 293 T HA -0.034 4.337 4.350 0.034 0.000 0.396 293 T C 1.182 175.821 174.700 -0.101 0.000 0.764 293 T CA 0.787 62.952 62.100 0.108 0.000 2.058 293 T CB -2.194 66.760 68.868 0.144 0.000 1.737 293 T HN 1.704 nan 8.240 nan 0.000 0.746 294 G N 0.602 109.258 108.800 -0.239 0.000 2.198 294 G HA2 -0.306 3.675 3.960 0.034 0.000 0.260 294 G HA3 -0.306 3.675 3.960 0.034 0.000 0.260 294 G C 0.507 175.410 174.900 0.004 0.000 1.025 294 G CA 0.770 45.738 45.100 -0.221 0.000 0.769 294 G HN 1.408 nan 8.290 nan 0.000 0.507 295 W N -3.008 118.336 121.300 0.073 0.000 2.829 295 W HA -0.318 4.361 4.660 0.033 0.000 0.293 295 W C 1.877 178.423 176.519 0.046 0.000 1.133 295 W CA 1.286 58.668 57.345 0.062 0.000 0.572 295 W CB -2.205 27.277 29.460 0.037 0.000 2.175 295 W HN 0.984 nan 8.180 nan 0.000 1.311 296 T N -3.735 110.940 114.554 0.202 0.000 3.081 296 T HA 0.064 4.434 4.350 0.034 0.000 0.255 296 T C 0.426 175.210 174.700 0.140 0.000 1.113 296 T CA 1.121 63.306 62.100 0.142 0.000 1.082 296 T CB 0.281 69.200 68.868 0.085 0.000 0.939 296 T HN 0.096 nan 8.240 nan 0.000 0.506 297 D N 1.160 121.663 120.400 0.171 0.000 2.502 297 D HA 0.290 4.951 4.640 0.034 0.000 0.301 297 D C -0.879 175.517 176.300 0.160 0.000 1.202 297 D CA -0.754 53.344 54.000 0.162 0.000 0.878 297 D CB -0.140 40.777 40.800 0.195 0.000 1.062 297 D HN 0.143 nan 8.370 nan 0.000 0.499 298 I N 3.163 123.802 120.570 0.116 0.000 2.359 298 I HA 0.354 4.545 4.170 0.034 0.000 0.294 298 I C -1.665 174.434 176.117 -0.029 0.000 0.987 298 I CA -2.398 58.925 61.300 0.039 0.000 1.225 298 I CB 0.770 38.798 38.000 0.047 0.000 1.366 298 I HN 0.224 nan 8.210 nan 0.000 0.466 299 P HA 0.079 nan 4.420 nan 0.000 0.268 299 P C -0.555 176.696 177.300 -0.081 0.000 1.204 299 P CA -0.215 62.827 63.100 -0.098 0.000 0.768 299 P CB 0.712 32.302 31.700 -0.183 0.000 0.842 300 D N 3.798 124.185 120.400 -0.022 0.000 2.382 300 D HA 0.054 4.715 4.640 0.034 0.000 0.259 300 D C -1.420 174.876 176.300 -0.006 0.000 1.224 300 D CA -1.576 52.419 54.000 -0.008 0.000 0.894 300 D CB 0.542 41.352 40.800 0.016 0.000 1.127 300 D HN 0.126 nan 8.370 nan 0.000 0.487 301 P HA -0.169 nan 4.420 nan 0.000 0.218 301 P C 0.409 177.724 177.300 0.026 0.000 1.148 301 P CA 1.224 64.313 63.100 -0.019 0.000 0.822 301 P CB 0.053 31.737 31.700 -0.028 0.000 0.784 302 K N 0.550 120.981 120.400 0.052 0.000 2.551 302 K HA 0.077 4.417 4.320 0.034 0.000 0.204 302 K C 0.754 177.468 176.600 0.189 0.000 1.033 302 K CA 0.397 56.746 56.287 0.105 0.000 1.187 302 K CB -0.382 32.160 32.500 0.070 0.000 0.900 302 K HN 0.354 nan 8.250 nan 0.000 0.499 303 K N -0.580 119.940 120.400 0.200 0.000 2.614 303 K HA 0.161 4.502 4.320 0.034 0.000 0.198 303 K C -0.453 176.304 176.600 0.262 0.000 1.338 303 K CA -0.547 55.928 56.287 0.313 0.000 1.066 303 K CB 0.056 32.652 32.500 0.161 0.000 1.119 303 K HN -0.003 nan 8.250 nan 0.000 0.609 304 L N 2.374 123.661 121.223 0.106 0.000 2.272 304 L HA 0.409 4.769 4.340 0.034 0.000 0.289 304 L C -0.953 175.846 176.870 -0.118 0.000 1.032 304 L CA -0.568 54.284 54.840 0.021 0.000 0.810 304 L CB 1.711 43.771 42.059 0.002 0.000 1.205 304 L HN 0.005 nan 8.230 nan 0.000 0.422 305 V N 6.853 126.709 119.914 -0.097 0.000 2.383 305 V HA 0.301 4.442 4.120 0.034 0.000 0.275 305 V C 0.166 176.230 176.094 -0.049 0.000 1.036 305 V CA -0.487 61.723 62.300 -0.150 0.000 0.889 305 V CB 1.343 33.103 31.823 -0.106 0.000 0.985 305 V HN 0.643 nan 8.190 nan 0.000 0.459 306 L N 5.174 126.354 121.223 -0.071 0.000 2.314 306 L HA 0.604 4.965 4.340 0.034 0.000 0.275 306 L C 0.553 177.369 176.870 -0.091 0.000 1.068 306 L CA -0.402 54.422 54.840 -0.027 0.000 0.894 306 L CB 0.831 42.885 42.059 -0.008 0.000 1.275 306 L HN 0.774 nan 8.230 nan 0.000 0.432 307 A N 4.881 127.646 122.820 -0.091 0.000 2.736 307 A HA 0.388 4.728 4.320 0.034 0.000 0.335 307 A C 0.155 177.678 177.584 -0.102 0.000 1.446 307 A CA -0.525 51.399 52.037 -0.188 0.000 1.028 307 A CB -0.001 18.904 19.000 -0.158 0.000 1.154 307 A HN 0.743 nan 8.150 nan 0.000 0.507 308 E N 1.995 122.136 120.200 -0.097 0.000 2.376 308 E HA 0.154 4.524 4.350 0.034 0.000 0.254 308 E C -1.494 175.075 176.600 -0.051 0.000 1.213 308 E CA -1.787 54.580 56.400 -0.056 0.000 0.945 308 E CB 0.491 30.167 29.700 -0.041 0.000 1.057 308 E HN 0.283 nan 8.360 nan 0.000 0.479 309 P HA -0.132 nan 4.420 nan 0.000 0.218 309 P C 0.301 177.615 177.300 0.023 0.000 1.148 309 P CA 1.560 64.663 63.100 0.004 0.000 0.822 309 P CB 0.265 31.965 31.700 0.000 0.000 0.784 310 R N -1.777 118.709 120.500 -0.023 0.000 2.549 310 R HA 0.271 4.632 4.340 0.034 0.000 0.399 310 R C -0.105 176.135 176.300 -0.099 0.000 0.964 310 R CA 0.126 56.185 56.100 -0.069 0.000 1.173 310 R CB 0.720 30.983 30.300 -0.063 0.000 1.535 310 R HN 0.169 nan 8.270 nan 0.000 0.551 311 S N -1.066 114.580 115.700 -0.089 0.000 2.565 311 S HA 0.586 5.077 4.470 0.034 0.000 0.269 311 S C -0.843 173.678 174.600 -0.133 0.000 1.153 311 S CA -0.750 57.399 58.200 -0.085 0.000 0.835 311 S CB 2.560 65.726 63.200 -0.058 0.000 1.122 311 S HN -0.125 nan 8.310 nan 0.000 0.462 312 V N 1.516 121.360 119.914 -0.116 0.000 2.577 312 V HA 0.603 4.743 4.120 0.034 0.000 0.303 312 V C -0.831 175.249 176.094 -0.023 0.000 1.042 312 V CA -0.668 61.515 62.300 -0.196 0.000 0.872 312 V CB 1.734 33.272 31.823 -0.475 0.000 0.998 312 V HN 0.865 nan 8.190 nan 0.000 0.423 313 V N 5.245 125.117 119.914 -0.070 0.000 2.384 313 V HA 0.744 4.884 4.120 0.034 0.000 0.287 313 V C -0.355 175.693 176.094 -0.077 0.000 1.020 313 V CA -0.507 61.761 62.300 -0.053 0.000 0.850 313 V CB 1.656 33.434 31.823 -0.074 0.000 0.987 313 V HN 0.655 nan 8.190 nan 0.000 0.436 314 V N 4.942 124.837 119.914 -0.032 0.000 2.924 314 V HA 0.532 4.673 4.120 0.034 0.000 0.300 314 V C 0.163 176.224 176.094 -0.055 0.000 1.227 314 V CA -0.431 61.792 62.300 -0.127 0.000 0.954 314 V CB 2.037 33.813 31.823 -0.078 0.000 1.055 314 V HN 0.927 nan 8.190 nan 0.000 0.429 315 N N 3.860 122.455 118.700 -0.175 0.000 2.735 315 N HA -0.172 4.589 4.740 0.034 0.000 0.248 315 N C 0.952 176.486 175.510 0.039 0.000 1.083 315 N CA 2.059 55.141 53.050 0.055 0.000 0.703 315 N CB -1.097 37.495 38.487 0.176 0.000 1.005 315 N HN 2.307 nan 8.380 nan 0.000 0.550 316 G N -1.201 107.584 108.800 -0.024 0.000 2.155 316 G HA2 -0.296 3.685 3.960 0.034 0.000 0.257 316 G HA3 -0.296 3.685 3.960 0.034 0.000 0.257 316 G C 0.147 174.994 174.900 -0.088 0.000 0.983 316 G CA 0.632 45.710 45.100 -0.038 0.000 0.676 316 G HN 0.555 nan 8.290 nan 0.000 0.528 317 I N -0.414 120.077 120.570 -0.131 0.000 2.474 317 I HA 0.479 4.670 4.170 0.034 0.000 0.294 317 I C 0.461 176.305 176.117 -0.455 0.000 1.005 317 I CA -1.114 59.985 61.300 -0.334 0.000 1.113 317 I CB 1.972 39.684 38.000 -0.480 0.000 1.289 317 I HN 0.092 nan 8.210 nan 0.000 0.436 318 R N 5.161 125.373 120.500 -0.480 0.000 2.265 318 R HA 0.466 4.827 4.340 0.034 0.000 0.319 318 R C -1.670 174.326 176.300 -0.507 0.000 1.006 318 R CA -0.320 55.564 56.100 -0.361 0.000 0.880 318 R CB 0.636 30.815 30.300 -0.201 0.000 1.077 318 R HN 0.416 nan 8.270 nan 0.000 0.454 319 F N 7.279 127.173 119.950 -0.093 0.000 2.363 319 F HA 0.356 4.903 4.527 0.034 0.000 0.366 319 F C -1.761 173.977 175.800 -0.104 0.000 1.083 319 F CA -2.237 55.709 58.000 -0.090 0.000 1.176 319 F CB 1.093 40.035 39.000 -0.097 0.000 1.432 319 F HN 0.411 nan 8.300 nan 0.000 0.482 320 P HA 0.085 nan 4.420 nan 0.000 0.275 320 P C 0.057 177.345 177.300 -0.021 0.000 1.270 320 P CA -0.053 63.038 63.100 -0.015 0.000 0.791 320 P CB 0.846 32.526 31.700 -0.033 0.000 1.089 321 S N -3.186 112.468 115.700 -0.076 0.000 3.749 321 S HA -0.077 4.414 4.470 0.034 0.000 0.348 321 S C -0.146 174.363 174.600 -0.152 0.000 1.045 321 S CA 0.538 58.666 58.200 -0.120 0.000 1.051 321 S CB -2.035 61.127 63.200 -0.063 0.000 0.898 321 S HN 0.416 nan 8.310 nan 0.000 0.472 322 V N 2.679 122.487 119.914 -0.176 0.000 2.488 322 V HA 0.313 4.453 4.120 0.034 0.000 0.293 322 V C 0.104 176.108 176.094 -0.151 0.000 1.027 322 V CA -0.804 61.411 62.300 -0.142 0.000 0.862 322 V CB 1.375 33.150 31.823 -0.079 0.000 1.008 322 V HN 0.481 nan 8.190 nan 0.000 0.428 323 H N 4.416 123.486 119.070 -0.000 0.000 2.848 323 H HA 0.129 4.706 4.556 0.034 0.000 0.317 323 H C 0.851 176.191 175.328 0.021 0.000 1.046 323 H CA -0.184 55.864 56.048 0.001 0.000 1.470 323 H CB 1.741 31.506 29.762 0.004 0.000 1.483 323 H HN 0.554 nan 8.280 nan 0.000 0.548 324 L N 4.379 125.684 121.223 0.136 0.000 2.043 324 L HA -0.199 4.162 4.340 0.034 0.000 0.212 324 L C 2.342 179.292 176.870 0.133 0.000 1.075 324 L CA 1.858 56.767 54.840 0.114 0.000 0.752 324 L CB -0.519 41.577 42.059 0.062 0.000 0.891 324 L HN 0.584 nan 8.230 nan 0.000 0.432 325 K N -0.959 119.496 120.400 0.091 0.000 2.103 325 K HA -0.200 4.141 4.320 0.034 0.000 0.207 325 K C 1.655 178.284 176.600 0.048 0.000 1.048 325 K CA 1.777 58.092 56.287 0.047 0.000 0.930 325 K CB -0.122 32.380 32.500 0.003 0.000 0.716 325 K HN 0.412 nan 8.250 nan 0.000 0.444 326 D N -0.267 120.185 120.400 0.087 0.000 2.103 326 D HA -0.168 4.493 4.640 0.034 0.000 0.199 326 D C 1.741 178.073 176.300 0.052 0.000 0.978 326 D CA 0.939 54.979 54.000 0.067 0.000 0.829 326 D CB -0.559 40.300 40.800 0.099 0.000 0.981 326 D HN 0.238 nan 8.370 nan 0.000 0.464 327 Y N 1.871 122.141 120.300 -0.050 0.000 2.069 327 Y HA -0.250 4.321 4.550 0.035 0.000 0.278 327 Y C 2.251 178.063 175.900 -0.146 0.000 1.175 327 Y CA 1.548 59.584 58.100 -0.107 0.000 1.134 327 Y CB -0.642 37.747 38.460 -0.118 0.000 0.965 327 Y HN -0.086 nan 8.280 nan 0.000 0.498 328 L N -0.976 120.136 121.223 -0.186 0.000 2.046 328 L HA -0.253 4.108 4.340 0.034 0.000 0.208 328 L C 2.358 179.115 176.870 -0.187 0.000 1.077 328 L CA 1.916 56.572 54.840 -0.306 0.000 0.747 328 L CB -0.889 41.122 42.059 -0.081 0.000 0.896 328 L HN 0.259 nan 8.230 nan 0.000 0.432 329 T N -1.053 113.447 114.554 -0.089 0.000 2.746 329 T HA -0.127 4.244 4.350 0.034 0.000 0.267 329 T C 2.071 176.731 174.700 -0.068 0.000 1.039 329 T CA 0.866 62.938 62.100 -0.046 0.000 1.142 329 T CB -0.091 68.764 68.868 -0.022 0.000 0.866 329 T HN 0.187 nan 8.240 nan 0.000 0.444 330 R N 0.646 121.083 120.500 -0.106 0.000 2.070 330 R HA 0.049 4.410 4.340 0.034 0.000 0.233 330 R C 2.390 178.609 176.300 -0.136 0.000 1.137 330 R CA 0.887 56.924 56.100 -0.106 0.000 0.945 330 R CB -1.265 28.971 30.300 -0.105 0.000 0.845 330 R HN 0.288 nan 8.270 nan 0.000 0.430 331 L N 1.121 122.181 121.223 -0.271 0.000 2.042 331 L HA -0.105 4.256 4.340 0.034 0.000 0.210 331 L C 2.289 179.150 176.870 -0.015 0.000 1.076 331 L CA 1.980 56.664 54.840 -0.259 0.000 0.749 331 L CB -0.925 40.738 42.059 -0.661 0.000 0.893 331 L HN 0.195 nan 8.230 nan 0.000 0.432 332 A N -1.167 121.677 122.820 0.041 0.000 1.917 332 A HA -0.316 4.025 4.320 0.034 0.000 0.219 332 A C 2.173 179.794 177.584 0.061 0.000 1.182 332 A CA 2.166 54.289 52.037 0.144 0.000 0.633 332 A CB -0.596 18.471 19.000 0.110 0.000 0.819 332 A HN 0.681 nan 8.150 nan 0.000 0.448 333 Q N -1.079 118.731 119.800 0.017 0.000 2.230 333 Q HA -0.033 4.328 4.340 0.034 0.000 0.202 333 Q C 1.536 177.540 176.000 0.007 0.000 0.963 333 Q CA 1.340 57.147 55.803 0.007 0.000 0.866 333 Q CB -0.008 28.726 28.738 -0.006 0.000 0.931 333 Q HN 0.638 nan 8.270 nan 0.000 0.452 334 K N -0.316 120.087 120.400 0.005 0.000 2.380 334 K HA 0.178 4.519 4.320 0.034 0.000 0.198 334 K C 0.032 176.645 176.600 0.022 0.000 1.070 334 K CA -0.140 56.151 56.287 0.006 0.000 1.040 334 K CB 1.233 33.728 32.500 -0.008 0.000 0.903 334 K HN -0.056 nan 8.250 nan 0.000 0.549 335 V N 2.552 122.493 119.914 0.045 0.000 2.811 335 V HA 0.041 4.181 4.120 0.034 0.000 0.302 335 V C 0.150 176.263 176.094 0.032 0.000 1.063 335 V CA -0.131 62.209 62.300 0.066 0.000 1.088 335 V CB 1.281 33.196 31.823 0.152 0.000 0.982 335 V HN 0.367 nan 8.190 nan 0.000 0.485 336 S N 5.167 120.883 115.700 0.028 0.000 2.713 336 S HA 0.541 5.031 4.470 0.034 0.000 0.283 336 S C -0.345 174.252 174.600 -0.006 0.000 1.161 336 S CA -0.787 57.420 58.200 0.011 0.000 0.999 336 S CB 1.172 64.381 63.200 0.016 0.000 1.039 336 S HN 0.688 nan 8.310 nan 0.000 0.548 337 K N 1.342 121.738 120.400 -0.008 0.000 2.383 337 K HA 0.193 4.533 4.320 0.034 0.000 0.286 337 K C -0.722 175.872 176.600 -0.010 0.000 1.051 337 K CA 0.337 56.614 56.287 -0.017 0.000 0.974 337 K CB 0.179 32.680 32.500 0.001 0.000 0.968 337 K HN 0.430 nan 8.250 nan 0.000 0.475 338 K N 3.767 124.152 120.400 -0.026 0.000 2.592 338 K HA 0.104 4.445 4.320 0.034 0.000 0.212 338 K C -0.122 176.477 176.600 -0.002 0.000 1.013 338 K CA -0.235 56.048 56.287 -0.007 0.000 1.034 338 K CB 1.436 33.934 32.500 -0.003 0.000 1.292 338 K HN 0.597 nan 8.250 nan 0.000 0.521 339 T N -0.109 114.460 114.554 0.025 0.000 3.105 339 T HA 0.077 4.448 4.350 0.034 0.000 0.253 339 T C 1.586 176.332 174.700 0.078 0.000 1.047 339 T CA 0.742 62.875 62.100 0.055 0.000 0.944 339 T CB 0.189 69.100 68.868 0.072 0.000 1.016 339 T HN 0.581 nan 8.240 nan 0.000 0.544 340 G N 1.213 110.051 108.800 0.063 0.000 2.476 340 G HA2 -0.163 3.818 3.960 0.034 0.000 0.218 340 G HA3 -0.163 3.818 3.960 0.034 0.000 0.218 340 G C 1.789 176.764 174.900 0.125 0.000 1.164 340 G CA 0.914 46.062 45.100 0.081 0.000 0.768 340 G HN 0.613 nan 8.290 nan 0.000 0.560 341 A N -0.030 122.846 122.820 0.093 0.000 1.969 341 A HA 0.132 4.473 4.320 0.034 0.000 0.218 341 A C 2.333 180.052 177.584 0.226 0.000 1.169 341 A CA 1.649 53.761 52.037 0.124 0.000 0.635 341 A CB -0.327 18.706 19.000 0.054 0.000 0.810 341 A HN 0.422 nan 8.150 nan 0.000 0.445 342 L N 0.177 121.507 121.223 0.178 0.000 2.044 342 L HA -0.092 4.268 4.340 0.034 0.000 0.205 342 L C 1.614 178.636 176.870 0.253 0.000 1.075 342 L CA 2.345 57.311 54.840 0.209 0.000 0.747 342 L CB -0.748 41.414 42.059 0.172 0.000 0.903 342 L HN 0.342 nan 8.230 nan 0.000 0.435 343 D N -0.755 119.763 120.400 0.197 0.000 2.104 343 D HA -0.269 4.391 4.640 0.034 0.000 0.194 343 D C 2.076 178.479 176.300 0.172 0.000 0.994 343 D CA 1.673 55.767 54.000 0.157 0.000 0.830 343 D CB -0.481 40.394 40.800 0.124 0.000 0.959 343 D HN 0.391 nan 8.370 nan 0.000 0.452 344 F N 1.128 121.132 119.950 0.090 0.000 2.065 344 F HA -0.273 4.275 4.527 0.034 0.000 0.298 344 F C 2.224 178.082 175.800 0.098 0.000 1.112 344 F CA 1.355 59.403 58.000 0.080 0.000 1.212 344 F CB -0.550 38.500 39.000 0.084 0.000 0.975 344 F HN -0.088 nan 8.300 nan 0.000 0.476 345 F N 1.490 121.545 119.950 0.175 0.000 2.154 345 F HA -0.234 4.314 4.527 0.035 0.000 0.301 345 F C 2.164 177.931 175.800 -0.056 0.000 1.087 345 F CA 2.112 60.144 58.000 0.053 0.000 1.274 345 F CB -0.591 38.477 39.000 0.113 0.000 1.009 345 F HN -0.063 nan 8.300 nan 0.000 0.485 346 K N -0.207 120.146 120.400 -0.078 0.000 2.148 346 K HA -0.106 4.235 4.320 0.034 0.000 0.204 346 K C 2.008 178.459 176.600 -0.248 0.000 1.050 346 K CA 1.360 57.541 56.287 -0.176 0.000 0.942 346 K CB -0.342 32.159 32.500 0.003 0.000 0.724 346 K HN 0.382 nan 8.250 nan 0.000 0.446 347 S N 0.332 115.879 115.700 -0.255 0.000 2.631 347 S HA 0.113 4.604 4.470 0.034 0.000 0.217 347 S C 1.593 175.989 174.600 -0.341 0.000 0.958 347 S CA -0.047 57.999 58.200 -0.257 0.000 0.920 347 S CB -0.177 62.889 63.200 -0.223 0.000 0.776 347 S HN 0.154 nan 8.310 nan 0.000 0.517 348 L N 0.733 121.702 121.223 -0.424 0.000 2.068 348 L HA 0.091 4.452 4.340 0.034 0.000 0.204 348 L C 0.180 176.894 176.870 -0.262 0.000 1.076 348 L CA 0.440 55.035 54.840 -0.407 0.000 0.753 348 L CB -0.596 41.205 42.059 -0.431 0.000 0.910 348 L HN 0.329 nan 8.230 nan 0.000 0.439 349 N N 0.176 118.731 118.700 -0.242 0.000 2.688 349 N HA -0.113 4.648 4.740 0.034 0.000 0.261 349 N C -0.589 174.843 175.510 -0.129 0.000 1.116 349 N CA 0.804 53.758 53.050 -0.161 0.000 0.689 349 N CB -1.067 37.347 38.487 -0.121 0.000 0.882 349 N HN 0.406 nan 8.380 nan 0.000 0.554 357 A N 1.679 124.491 122.820 -0.013 0.000 2.496 357 A HA 0.540 4.880 4.320 0.034 0.000 0.278 357 A C -1.901 175.679 177.584 -0.006 0.000 1.137 357 A CA -0.348 51.683 52.037 -0.010 0.000 0.805 357 A CB -1.217 17.776 19.000 -0.010 0.000 1.077 357 A HN 0.531 nan 8.150 nan 0.000 0.513 358 P HA 0.456 nan 4.420 nan 0.000 0.268 358 P C 0.045 177.345 177.300 0.000 0.000 1.205 358 P CA 0.107 63.206 63.100 -0.002 0.000 0.771 358 P CB 1.098 32.797 31.700 -0.001 0.000 0.858 359 A N 1.553 124.375 122.820 0.003 0.000 2.414 359 A HA 0.555 4.896 4.320 0.034 0.000 0.278 359 A C -0.510 177.078 177.584 0.006 0.000 1.228 359 A CA -0.677 51.362 52.037 0.004 0.000 0.857 359 A CB 0.640 19.642 19.000 0.004 0.000 1.389 359 A HN 0.654 nan 8.150 nan 0.000 0.452 360 D N -0.631 119.773 120.400 0.006 0.000 2.313 360 D HA 0.229 4.890 4.640 0.034 0.000 0.247 360 D C -2.183 174.124 176.300 0.011 0.000 1.094 360 D CA -1.208 52.797 54.000 0.008 0.000 0.925 360 D CB 0.785 41.589 40.800 0.006 0.000 1.188 360 D HN 0.047 nan 8.370 nan 0.000 0.430 361 P HA -0.081 nan 4.420 nan 0.000 0.229 361 P C 0.571 177.880 177.300 0.015 0.000 1.150 361 P CA 1.001 64.111 63.100 0.018 0.000 0.765 361 P CB 0.114 31.825 31.700 0.019 0.000 0.783 362 S N -0.666 115.040 115.700 0.011 0.000 2.891 362 S HA 0.663 5.154 4.470 0.034 0.000 0.186 362 S C -0.213 174.391 174.600 0.005 0.000 1.401 362 S CA -0.388 57.816 58.200 0.007 0.000 1.035 362 S CB -0.910 62.292 63.200 0.004 0.000 1.293 362 S HN 0.089 nan 8.310 nan 0.000 0.493 363 A N 3.201 126.026 122.820 0.008 0.000 2.590 363 A HA 0.693 5.034 4.320 0.034 0.000 0.294 363 A C -3.290 174.301 177.584 0.011 0.000 1.046 363 A CA -1.259 50.782 52.037 0.007 0.000 0.684 363 A CB 0.218 19.223 19.000 0.007 0.000 1.279 363 A HN 0.466 nan 8.150 nan 0.000 0.415 364 P HA 0.227 nan 4.420 nan 0.000 0.262 364 P C -0.116 177.202 177.300 0.031 0.000 1.182 364 P CA 0.028 63.139 63.100 0.018 0.000 0.761 364 P CB 0.211 31.920 31.700 0.014 0.000 0.795 365 L N 5.937 127.189 121.223 0.048 0.000 2.525 365 L HA 0.163 4.524 4.340 0.034 0.000 0.278 365 L C -0.146 176.753 176.870 0.048 0.000 1.218 365 L CA 0.302 55.175 54.840 0.056 0.000 0.878 365 L CB 0.120 42.230 42.059 0.086 0.000 1.127 365 L HN 0.240 nan 8.230 nan 0.000 0.492 366 V N 2.200 122.135 119.914 0.034 0.000 3.046 366 V HA 0.534 4.675 4.120 0.034 0.000 0.316 366 V C 0.855 176.961 176.094 0.019 0.000 1.104 366 V CA -0.461 61.855 62.300 0.025 0.000 1.006 366 V CB 1.463 33.296 31.823 0.016 0.000 1.058 366 V HN 0.830 nan 8.190 nan 0.000 0.440 367 N N 2.076 120.784 118.700 0.014 0.000 2.094 367 N HA -0.176 4.584 4.740 0.034 0.000 0.191 367 N C 1.629 177.138 175.510 -0.000 0.000 1.023 367 N CA 2.635 55.690 53.050 0.008 0.000 0.857 367 N CB -0.299 38.193 38.487 0.009 0.000 1.013 367 N HN 1.008 nan 8.380 nan 0.000 0.426 368 A N -0.232 122.587 122.820 -0.001 0.000 1.969 368 A HA -0.095 4.245 4.320 0.034 0.000 0.218 368 A C 2.130 179.709 177.584 -0.009 0.000 1.169 368 A CA 1.718 53.751 52.037 -0.006 0.000 0.635 368 A CB -0.699 18.297 19.000 -0.006 0.000 0.810 368 A HN 0.487 nan 8.150 nan 0.000 0.445 369 E N 0.365 120.563 120.200 -0.004 0.000 2.152 369 E HA -0.082 4.289 4.350 0.034 0.000 0.192 369 E C 1.640 178.231 176.600 -0.014 0.000 0.983 369 E CA 1.097 57.495 56.400 -0.002 0.000 0.818 369 E CB -0.361 29.345 29.700 0.011 0.000 0.758 369 E HN 0.662 nan 8.360 nan 0.000 0.467 370 I N 0.267 120.824 120.570 -0.022 0.000 2.163 370 I HA -0.220 3.970 4.170 0.034 0.000 0.240 370 I C 2.407 178.450 176.117 -0.124 0.000 1.081 370 I CA 0.995 62.258 61.300 -0.062 0.000 1.353 370 I CB -0.536 37.434 38.000 -0.051 0.000 1.054 370 I HN 0.180 nan 8.210 nan 0.000 0.407 371 A N 0.908 123.677 122.820 -0.085 0.000 1.908 371 A HA -0.270 4.070 4.320 0.034 0.000 0.218 371 A C 2.480 180.017 177.584 -0.078 0.000 1.181 371 A CA 1.876 53.863 52.037 -0.084 0.000 0.627 371 A CB -0.739 18.244 19.000 -0.028 0.000 0.818 371 A HN 0.350 nan 8.150 nan 0.000 0.445 372 R N -0.469 120.001 120.500 -0.050 0.000 2.080 372 R HA -0.187 4.173 4.340 0.034 0.000 0.236 372 R C 2.363 178.637 176.300 -0.042 0.000 1.137 372 R CA 1.990 58.070 56.100 -0.033 0.000 0.943 372 R CB -0.392 29.898 30.300 -0.016 0.000 0.846 372 R HN 0.711 nan 8.270 nan 0.000 0.431 373 Q N -0.266 119.503 119.800 -0.051 0.000 2.170 373 Q HA -0.101 4.259 4.340 0.034 0.000 0.203 373 Q C 2.151 178.103 176.000 -0.080 0.000 0.976 373 Q CA 1.434 57.216 55.803 -0.036 0.000 0.858 373 Q CB 0.137 28.875 28.738 0.001 0.000 0.907 373 Q HN 0.244 nan 8.270 nan 0.000 0.433 374 V N 1.034 120.823 119.914 -0.208 0.000 2.379 374 V HA -0.233 3.908 4.120 0.034 0.000 0.245 374 V C 2.152 178.170 176.094 -0.126 0.000 1.044 374 V CA 1.846 63.965 62.300 -0.301 0.000 1.036 374 V CB -0.477 31.016 31.823 -0.549 0.000 0.664 374 V HN 0.388 nan 8.190 nan 0.000 0.453 375 E N 0.437 120.586 120.200 -0.086 0.000 2.118 375 E HA -0.236 4.134 4.350 0.034 0.000 0.195 375 E C 2.155 178.750 176.600 -0.008 0.000 0.992 375 E CA 1.335 57.717 56.400 -0.030 0.000 0.804 375 E CB -0.196 29.498 29.700 -0.010 0.000 0.741 375 E HN 0.577 nan 8.360 nan 0.000 0.458 376 A N 0.533 123.348 122.820 -0.008 0.000 2.121 376 A HA -0.077 4.264 4.320 0.034 0.000 0.218 376 A C 1.969 179.566 177.584 0.022 0.000 1.154 376 A CA 0.660 52.703 52.037 0.011 0.000 0.679 376 A CB -0.299 18.709 19.000 0.013 0.000 0.795 376 A HN 0.294 nan 8.150 nan 0.000 0.458 377 L N -0.278 120.959 121.223 0.023 0.000 2.558 377 L HA 0.153 4.513 4.340 0.034 0.000 0.225 377 L C 0.052 176.945 176.870 0.039 0.000 1.128 377 L CA -0.263 54.605 54.840 0.047 0.000 0.868 377 L CB -0.245 41.866 42.059 0.087 0.000 1.006 377 L HN 0.287 nan 8.230 nan 0.000 0.454 378 L N 0.703 121.941 121.223 0.024 0.000 2.410 378 L HA 0.195 4.556 4.340 0.034 0.000 0.273 378 L C 0.492 177.376 176.870 0.023 0.000 1.152 378 L CA 0.131 54.983 54.840 0.021 0.000 0.855 378 L CB 0.624 42.691 42.059 0.015 0.000 1.129 378 L HN 0.159 nan 8.230 nan 0.000 0.463 379 T N -0.702 113.865 114.554 0.022 0.000 2.841 379 T HA 0.403 4.773 4.350 0.034 0.000 0.296 379 T C -2.408 172.301 174.700 0.015 0.000 1.166 379 T CA -1.790 60.322 62.100 0.019 0.000 1.007 379 T CB 2.062 70.944 68.868 0.023 0.000 1.253 379 T HN 0.170 nan 8.240 nan 0.000 0.511 380 P HA 0.032 nan 4.420 nan 0.000 0.226 380 P C 0.771 178.079 177.300 0.012 0.000 1.146 380 P CA 0.788 63.891 63.100 0.005 0.000 0.773 380 P CB -0.019 31.681 31.700 -0.000 0.000 0.772 381 N N -1.553 117.158 118.700 0.019 0.000 2.230 381 N HA 0.018 4.779 4.740 0.034 0.000 0.202 381 N C -0.428 175.106 175.510 0.040 0.000 1.119 381 N CA 0.183 53.249 53.050 0.026 0.000 0.851 381 N CB -0.109 38.392 38.487 0.023 0.000 0.990 381 N HN -0.127 nan 8.380 nan 0.000 0.497 382 T N -0.258 114.317 114.554 0.035 0.000 2.867 382 T HA 0.409 4.780 4.350 0.034 0.000 0.282 382 T C -0.510 174.207 174.700 0.029 0.000 1.000 382 T CA -0.185 61.937 62.100 0.037 0.000 1.042 382 T CB 1.574 70.459 68.868 0.028 0.000 0.973 382 T HN -0.072 nan 8.240 nan 0.000 0.465 383 T N 2.417 116.981 114.554 0.017 0.000 2.841 383 T HA 0.495 4.866 4.350 0.034 0.000 0.285 383 T C -0.482 174.151 174.700 -0.112 0.000 0.991 383 T CA -0.502 61.558 62.100 -0.066 0.000 0.966 383 T CB 1.195 69.978 68.868 -0.142 0.000 0.962 383 T HN 0.317 nan 8.240 nan 0.000 0.438 384 V N 5.141 124.977 119.914 -0.129 0.000 2.370 384 V HA 0.421 4.562 4.120 0.034 0.000 0.279 384 V C -0.105 175.880 176.094 -0.180 0.000 1.029 384 V CA -0.915 61.313 62.300 -0.120 0.000 0.870 384 V CB 1.193 32.956 31.823 -0.099 0.000 0.984 384 V HN 0.728 nan 8.190 nan 0.000 0.451 385 I N 4.542 125.020 120.570 -0.153 0.000 2.297 385 I HA 0.500 4.690 4.170 0.034 0.000 0.291 385 I C 0.558 176.660 176.117 -0.024 0.000 1.033 385 I CA -0.151 61.069 61.300 -0.132 0.000 1.253 385 I CB 1.075 38.940 38.000 -0.225 0.000 1.396 385 I HN 0.654 nan 8.210 nan 0.000 0.476 386 A N 5.755 128.586 122.820 0.018 0.000 2.249 386 A HA 0.487 4.828 4.320 0.034 0.000 0.314 386 A C 0.072 177.904 177.584 0.414 0.000 1.290 386 A CA -0.521 51.579 52.037 0.106 0.000 0.893 386 A CB 0.569 19.483 19.000 -0.142 0.000 1.165 386 A HN 0.675 nan 8.150 nan 0.000 0.530 387 E N 1.902 122.292 120.200 0.316 0.000 2.343 387 E HA 0.353 4.724 4.350 0.034 0.000 0.269 387 E C 0.030 176.647 176.600 0.028 0.000 1.047 387 E CA 0.053 56.633 56.400 0.300 0.000 0.874 387 E CB 0.588 30.390 29.700 0.170 0.000 1.033 387 E HN 0.535 nan 8.360 nan 0.000 0.409 388 T N 2.973 117.404 114.554 -0.205 0.000 2.871 388 T HA 0.473 4.844 4.350 0.034 0.000 0.296 388 T C 0.221 174.504 174.700 -0.696 0.000 0.998 388 T CA 0.945 62.382 62.100 -1.104 0.000 1.162 388 T CB -0.077 68.350 68.868 -0.734 0.000 0.947 388 T HN 0.712 nan 8.240 nan 0.000 0.536 389 G N 3.068 111.389 108.800 -0.799 0.000 2.320 389 G HA2 -0.000 3.980 3.960 0.034 0.000 0.274 389 G HA3 -0.000 3.980 3.960 0.034 0.000 0.274 389 G C 0.179 175.036 174.900 -0.071 0.000 1.324 389 G CA -0.171 44.764 45.100 -0.275 0.000 0.957 389 G HN 0.488 nan 8.290 nan 0.000 0.481 390 D N -0.117 120.334 120.400 0.084 0.000 2.264 390 D HA 0.010 4.671 4.640 0.034 0.000 0.208 390 D C 2.484 178.925 176.300 0.234 0.000 0.966 390 D CA 1.790 55.934 54.000 0.240 0.000 0.864 390 D CB -0.032 40.852 40.800 0.141 0.000 0.933 390 D HN 0.258 nan 8.370 nan 0.000 0.499 391 S N -0.337 115.441 115.700 0.131 0.000 2.402 391 S HA -0.184 4.307 4.470 0.034 0.000 0.233 391 S C 1.471 176.241 174.600 0.284 0.000 1.030 391 S CA 0.735 59.027 58.200 0.153 0.000 1.003 391 S CB -0.319 62.947 63.200 0.109 0.000 0.813 391 S HN 0.464 nan 8.310 nan 0.000 0.477 392 W N 1.088 122.416 121.300 0.046 0.000 2.318 392 W HA -0.077 4.603 4.660 0.033 0.000 0.313 392 W C 1.856 178.314 176.519 -0.102 0.000 1.221 392 W CA 0.549 57.869 57.345 -0.041 0.000 1.266 392 W CB -1.313 27.842 29.460 -0.508 0.000 1.150 392 W HN 0.342 nan 8.180 nan 0.000 0.496 393 F N 0.010 120.148 119.950 0.313 0.000 2.187 393 F HA -0.114 4.434 4.527 0.034 0.000 0.295 393 F C 2.222 178.116 175.800 0.156 0.000 1.091 393 F CA 1.134 59.243 58.000 0.180 0.000 1.308 393 F CB -1.194 37.822 39.000 0.027 0.000 1.030 393 F HN -0.197 nan 8.300 nan 0.000 0.487 394 N N 0.671 119.545 118.700 0.289 0.000 2.084 394 N HA -0.151 4.610 4.740 0.034 0.000 0.190 394 N C 2.073 177.672 175.510 0.148 0.000 1.030 394 N CA 1.456 54.607 53.050 0.168 0.000 0.849 394 N CB -0.728 37.819 38.487 0.099 0.000 1.012 394 N HN 0.268 nan 8.380 nan 0.000 0.423 395 A N 0.926 123.844 122.820 0.163 0.000 1.902 395 A HA -0.200 4.140 4.320 0.034 0.000 0.217 395 A C 2.209 179.908 177.584 0.191 0.000 1.181 395 A CA 1.661 53.772 52.037 0.124 0.000 0.623 395 A CB -0.704 18.339 19.000 0.070 0.000 0.818 395 A HN 0.273 nan 8.150 nan 0.000 0.443 396 Q N -0.091 119.884 119.800 0.292 0.000 2.226 396 Q HA -0.086 4.274 4.340 0.034 0.000 0.204 396 Q C 1.830 178.053 176.000 0.372 0.000 0.975 396 Q CA 1.616 57.607 55.803 0.314 0.000 0.866 396 Q CB -0.254 28.672 28.738 0.313 0.000 0.915 396 Q HN 0.663 nan 8.270 nan 0.000 0.440 397 R N -1.008 119.676 120.500 0.307 0.000 2.310 397 R HA 0.216 4.576 4.340 0.034 0.000 0.202 397 R C -0.022 176.408 176.300 0.216 0.000 0.933 397 R CA -0.037 56.218 56.100 0.259 0.000 1.054 397 R CB 0.185 30.555 30.300 0.116 0.000 0.985 397 R HN 0.281 nan 8.270 nan 0.000 0.489 398 M N 0.965 120.685 119.600 0.199 0.000 2.249 398 M HA 0.185 4.685 4.480 0.034 0.000 0.351 398 M C -0.009 176.397 176.300 0.176 0.000 1.180 398 M CA -0.659 54.723 55.300 0.137 0.000 1.127 398 M CB 1.217 33.860 32.600 0.072 0.000 1.546 398 M HN -0.360 nan 8.290 nan 0.000 0.461 399 K N 3.619 124.108 120.400 0.148 0.000 2.276 399 K HA 0.428 4.769 4.320 0.034 0.000 0.285 399 K C -1.438 175.221 176.600 0.099 0.000 1.062 399 K CA 0.058 56.440 56.287 0.159 0.000 0.918 399 K CB 0.198 32.786 32.500 0.148 0.000 1.055 399 K HN 0.631 nan 8.250 nan 0.000 0.477 400 L N 7.911 129.185 121.223 0.085 0.000 2.257 400 L HA 0.413 4.774 4.340 0.034 0.000 0.290 400 L C -1.885 174.996 176.870 0.018 0.000 1.044 400 L CA -2.279 52.582 54.840 0.034 0.000 0.810 400 L CB 1.307 43.369 42.059 0.006 0.000 1.193 400 L HN 0.570 nan 8.230 nan 0.000 0.425 401 P HA -0.036 nan 4.420 nan 0.000 0.265 401 P C -0.658 176.633 177.300 -0.015 0.000 1.193 401 P CA -0.022 63.082 63.100 0.006 0.000 0.765 401 P CB 0.386 32.091 31.700 0.010 0.000 0.823 402 N N 1.371 120.053 118.700 -0.030 0.000 2.294 402 N HA 0.132 4.893 4.740 0.034 0.000 0.263 402 N C 1.453 176.940 175.510 -0.037 0.000 1.281 402 N CA 1.243 54.260 53.050 -0.054 0.000 0.846 402 N CB -0.175 38.272 38.487 -0.066 0.000 1.061 402 N HN 0.769 nan 8.380 nan 0.000 0.478 403 G N 0.652 109.429 108.800 -0.039 0.000 2.254 403 G HA2 -0.258 3.723 3.960 0.034 0.000 0.225 403 G HA3 -0.258 3.723 3.960 0.034 0.000 0.225 403 G C 0.194 175.094 174.900 -0.002 0.000 1.003 403 G CA -0.076 45.013 45.100 -0.020 0.000 0.622 403 G HN 0.865 nan 8.290 nan 0.000 0.507 404 A N 1.027 123.845 122.820 -0.004 0.000 2.425 404 A HA 0.704 5.044 4.320 0.034 0.000 0.249 404 A C 0.636 178.224 177.584 0.006 0.000 1.084 404 A CA 0.314 52.353 52.037 0.004 0.000 0.781 404 A CB 0.360 19.361 19.000 0.000 0.000 1.019 404 A HN 0.411 nan 8.150 nan 0.000 0.490 405 R N 0.713 121.219 120.500 0.010 0.000 2.778 405 R HA 0.698 5.059 4.340 0.034 0.000 0.277 405 R C -1.415 174.856 176.300 -0.049 0.000 0.977 405 R CA -0.748 55.360 56.100 0.015 0.000 0.950 405 R CB 1.666 32.002 30.300 0.061 0.000 1.165 405 R HN 0.430 nan 8.270 nan 0.000 0.474 406 V N 1.948 121.820 119.914 -0.070 0.000 2.638 406 V HA 0.289 4.429 4.120 0.034 0.000 0.306 406 V C -0.536 175.447 176.094 -0.186 0.000 1.052 406 V CA -0.867 61.320 62.300 -0.189 0.000 0.885 406 V CB 2.400 34.062 31.823 -0.269 0.000 0.999 406 V HN 0.541 nan 8.190 nan 0.000 0.424 407 E N 3.486 123.567 120.200 -0.199 0.000 2.133 407 E HA 0.481 4.851 4.350 0.034 0.000 0.274 407 E C -1.543 175.041 176.600 -0.027 0.000 0.930 407 E CA -0.362 56.028 56.400 -0.016 0.000 0.770 407 E CB 2.032 31.786 29.700 0.090 0.000 1.104 407 E HN 0.540 nan 8.360 nan 0.000 0.403 408 Y N 0.514 120.816 120.300 0.003 0.000 2.446 408 Y HA 0.208 4.778 4.550 0.034 0.000 0.338 408 Y C 0.872 176.562 175.900 -0.351 0.000 1.055 408 Y CA -0.729 57.283 58.100 -0.148 0.000 1.101 408 Y CB 1.667 39.906 38.460 -0.369 0.000 1.221 408 Y HN 0.405 nan 8.280 nan 0.000 0.460 409 E N 3.454 123.447 120.200 -0.345 0.000 3.351 409 E HA 0.197 4.568 4.350 0.034 0.000 0.220 409 E C 0.027 176.563 176.600 -0.107 0.000 1.150 409 E CA 0.048 56.111 56.400 -0.561 0.000 1.359 409 E CB 0.072 28.900 29.700 -1.453 0.000 1.365 409 E HN 0.832 nan 8.360 nan 0.000 0.434 410 M N 0.371 119.865 119.600 -0.178 0.000 2.558 410 M HA -0.048 4.453 4.480 0.034 0.000 0.255 410 M C 1.891 178.156 176.300 -0.058 0.000 1.113 410 M CA 0.682 55.824 55.300 -0.264 0.000 1.097 410 M CB 0.268 32.342 32.600 -0.878 0.000 1.426 410 M HN 0.155 nan 8.290 nan 0.000 0.488 411 Q N 0.248 120.035 119.800 -0.021 0.000 2.134 411 Q HA -0.094 4.267 4.340 0.034 0.000 0.195 411 Q C 1.804 177.909 176.000 0.176 0.000 0.958 411 Q CA 1.541 57.375 55.803 0.052 0.000 0.840 411 Q CB -0.246 28.528 28.738 0.060 0.000 0.918 411 Q HN 0.632 nan 8.270 nan 0.000 0.467 412 W N 0.358 121.650 121.300 -0.014 0.000 2.444 412 W HA 0.086 4.765 4.660 0.031 0.000 0.308 412 W C 0.570 177.135 176.519 0.077 0.000 1.183 412 W CA 1.485 58.854 57.345 0.041 0.000 1.340 412 W CB -0.009 29.488 29.460 0.060 0.000 1.138 412 W HN 0.384 nan 8.180 nan 0.000 0.510 413 G N 1.271 110.182 108.800 0.184 0.000 2.295 413 G HA2 -0.329 3.651 3.960 0.034 0.000 0.287 413 G HA3 -0.329 3.651 3.960 0.034 0.000 0.287 413 G C -0.145 174.774 174.900 0.032 0.000 1.055 413 G CA 0.387 45.584 45.100 0.162 0.000 0.922 413 G HN 0.575 nan 8.290 nan 0.000 0.503 414 H N 0.838 119.910 119.070 0.003 0.000 2.911 414 H HA 0.371 4.947 4.556 0.033 0.000 0.273 414 H C 1.402 176.764 175.328 0.057 0.000 1.157 414 H CA -0.214 55.857 56.048 0.039 0.000 1.402 414 H CB -0.112 29.845 29.762 0.325 0.000 1.463 414 H HN 0.638 nan 8.280 nan 0.000 0.475 415 I N 1.418 121.976 120.570 -0.020 0.000 2.775 415 I HA 0.213 4.404 4.170 0.034 0.000 0.290 415 I C 1.185 177.428 176.117 0.210 0.000 1.203 415 I CA 0.936 62.266 61.300 0.050 0.000 1.433 415 I CB 0.558 38.512 38.000 -0.076 0.000 1.354 415 I HN 0.733 nan 8.210 nan 0.000 0.579 416 G N 4.745 113.671 108.800 0.209 0.000 2.254 416 G HA2 -0.336 3.645 3.960 0.034 0.000 0.225 416 G HA3 -0.336 3.645 3.960 0.034 0.000 0.225 416 G C 0.424 175.385 174.900 0.103 0.000 1.003 416 G CA 0.406 45.622 45.100 0.193 0.000 0.622 416 G HN 1.073 nan 8.290 nan 0.000 0.507 417 W N 2.922 124.112 121.300 -0.184 0.000 2.304 417 W HA -0.199 4.481 4.660 0.034 0.000 0.315 417 W C 2.626 179.002 176.519 -0.239 0.000 1.233 417 W CA 3.838 60.810 57.345 -0.622 0.000 1.261 417 W CB -0.624 28.479 29.460 -0.597 0.000 1.150 417 W HN 0.748 nan 8.180 nan 0.000 0.494 418 S N -0.228 115.317 115.700 -0.259 0.000 2.419 418 S HA -0.217 4.273 4.470 0.034 0.000 0.235 418 S C 1.686 176.046 174.600 -0.400 0.000 1.019 418 S CA 1.667 59.514 58.200 -0.587 0.000 0.982 418 S CB -1.046 62.101 63.200 -0.089 0.000 0.789 418 S HN 0.208 nan 8.310 nan 0.000 0.490 419 V N 3.238 123.042 119.914 -0.183 0.000 2.239 419 V HA -0.014 4.126 4.120 0.034 0.000 0.242 419 V C -0.424 175.625 176.094 -0.075 0.000 1.038 419 V CA 1.763 64.024 62.300 -0.065 0.000 1.002 419 V CB -1.569 30.243 31.823 -0.017 0.000 0.641 419 V HN 0.384 nan 8.190 nan 0.000 0.449 420 P HA -0.067 nan 4.420 nan 0.000 0.221 420 P C 1.526 178.798 177.300 -0.045 0.000 1.150 420 P CA 1.727 64.838 63.100 0.017 0.000 0.800 420 P CB -0.120 31.629 31.700 0.083 0.000 0.787 421 A N 0.481 123.111 122.820 -0.316 0.000 1.877 421 A HA -0.091 4.250 4.320 0.034 0.000 0.216 421 A C 2.370 179.813 177.584 -0.235 0.000 1.186 421 A CA 2.120 53.903 52.037 -0.424 0.000 0.620 421 A CB -1.622 16.636 19.000 -1.236 0.000 0.822 421 A HN 0.190 nan 8.150 nan 0.000 0.443 422 A N -0.910 121.760 122.820 -0.251 0.000 1.908 422 A HA -0.084 4.257 4.320 0.034 0.000 0.218 422 A C 2.049 179.672 177.584 0.065 0.000 1.181 422 A CA 1.795 53.781 52.037 -0.085 0.000 0.627 422 A CB -0.796 18.163 19.000 -0.068 0.000 0.818 422 A HN 0.761 nan 8.150 nan 0.000 0.445 423 F N 1.205 121.123 119.950 -0.053 0.000 2.046 423 F HA -0.076 4.472 4.527 0.034 0.000 0.297 423 F C 2.340 178.159 175.800 0.033 0.000 1.123 423 F CA 1.800 59.794 58.000 -0.009 0.000 1.199 423 F CB -1.001 37.975 39.000 -0.039 0.000 0.972 423 F HN 0.182 nan 8.300 nan 0.000 0.474 424 G N -1.288 107.336 108.800 -0.295 0.000 2.440 424 G HA2 -0.379 3.601 3.960 0.034 0.000 0.218 424 G HA3 -0.379 3.601 3.960 0.034 0.000 0.218 424 G C 1.664 176.547 174.900 -0.028 0.000 1.154 424 G CA 1.060 45.965 45.100 -0.324 0.000 0.767 424 G HN 0.546 nan 8.290 nan 0.000 0.552 425 Y N 1.925 122.155 120.300 -0.115 0.000 2.181 425 Y HA -0.004 4.566 4.550 0.034 0.000 0.288 425 Y C 2.930 178.760 175.900 -0.117 0.000 1.146 425 Y CA 1.486 59.528 58.100 -0.097 0.000 1.164 425 Y CB -0.281 38.132 38.460 -0.079 0.000 0.982 425 Y HN 0.253 nan 8.280 nan 0.000 0.515 426 A N -0.807 122.054 122.820 0.069 0.000 1.930 426 A HA -0.138 4.202 4.320 0.034 0.000 0.217 426 A C 2.299 179.808 177.584 -0.125 0.000 1.175 426 A CA 1.809 53.852 52.037 0.010 0.000 0.627 426 A CB -1.279 17.753 19.000 0.053 0.000 0.815 426 A HN 0.324 nan 8.150 nan 0.000 0.443 427 V N -0.133 119.647 119.914 -0.224 0.000 2.392 427 V HA -0.208 3.932 4.120 0.034 0.000 0.249 427 V C 2.692 178.634 176.094 -0.252 0.000 1.059 427 V CA 2.046 64.176 62.300 -0.282 0.000 1.051 427 V CB -1.274 30.327 31.823 -0.370 0.000 0.658 427 V HN 0.620 nan 8.190 nan 0.000 0.455 428 G N -1.044 107.595 108.800 -0.269 0.000 2.494 428 G HA2 0.212 4.192 3.960 0.034 0.000 0.216 428 G HA3 0.212 4.192 3.960 0.034 0.000 0.216 428 G C 0.773 175.430 174.900 -0.406 0.000 1.140 428 G CA 0.729 45.530 45.100 -0.499 0.000 0.801 428 G HN 0.690 nan 8.290 nan 0.000 0.536 429 A N 0.266 122.858 122.820 -0.380 0.000 3.355 429 A HA 0.652 4.993 4.320 0.034 0.000 0.290 429 A C -1.573 175.949 177.584 -0.103 0.000 0.973 429 A CA -0.753 51.122 52.037 -0.270 0.000 0.933 429 A CB 0.989 19.745 19.000 -0.406 0.000 1.138 429 A HN 0.039 nan 8.150 nan 0.000 0.490 430 P HA -0.191 nan 4.420 nan 0.000 0.219 430 P C 1.416 178.719 177.300 0.005 0.000 1.146 430 P CA 1.457 64.546 63.100 -0.019 0.000 0.808 430 P CB 0.317 32.009 31.700 -0.012 0.000 0.779 431 E N 0.127 120.325 120.200 -0.004 0.000 2.371 431 E HA -0.064 4.307 4.350 0.034 0.000 0.194 431 E C 0.671 177.284 176.600 0.021 0.000 1.012 431 E CA 0.504 56.908 56.400 0.007 0.000 0.860 431 E CB -0.408 29.290 29.700 -0.003 0.000 0.811 431 E HN 0.240 nan 8.360 nan 0.000 0.502 432 R N 1.045 121.565 120.500 0.034 0.000 2.615 432 R HA 0.263 4.623 4.340 0.034 0.000 0.270 432 R C 0.492 176.832 176.300 0.067 0.000 1.081 432 R CA -0.528 55.608 56.100 0.061 0.000 1.154 432 R CB 0.719 31.086 30.300 0.112 0.000 1.063 432 R HN -0.005 nan 8.270 nan 0.000 0.519 433 R N 2.222 122.759 120.500 0.063 0.000 2.272 433 R HA 0.035 4.395 4.340 0.034 0.000 0.334 433 R C -0.921 175.420 176.300 0.068 0.000 1.117 433 R CA -0.165 55.971 56.100 0.061 0.000 0.966 433 R CB 0.085 30.417 30.300 0.053 0.000 1.049 433 R HN 0.446 nan 8.270 nan 0.000 0.477 434 N N 5.357 124.101 118.700 0.073 0.000 2.462 434 N HA 0.188 4.949 4.740 0.034 0.000 0.242 434 N C -0.926 174.615 175.510 0.052 0.000 1.010 434 N CA -0.277 52.811 53.050 0.064 0.000 0.939 434 N CB 1.155 39.702 38.487 0.100 0.000 1.127 434 N HN 0.411 nan 8.380 nan 0.000 0.509 435 I N 2.287 122.885 120.570 0.046 0.000 2.359 435 I HA 0.268 4.458 4.170 0.034 0.000 0.294 435 I C -0.242 175.914 176.117 0.066 0.000 0.987 435 I CA -0.786 60.577 61.300 0.105 0.000 1.225 435 I CB 1.429 39.534 38.000 0.175 0.000 1.366 435 I HN 0.269 nan 8.210 nan 0.000 0.466 436 L N 7.720 129.002 121.223 0.098 0.000 2.298 436 L HA 0.595 4.955 4.340 0.034 0.000 0.284 436 L C -0.896 176.062 176.870 0.147 0.000 1.013 436 L CA -0.227 54.654 54.840 0.067 0.000 0.824 436 L CB 0.865 42.948 42.059 0.039 0.000 1.221 436 L HN 0.496 nan 8.230 nan 0.000 0.418 437 M N 6.326 125.992 119.600 0.111 0.000 2.055 437 M HA 0.497 4.997 4.480 0.034 0.000 0.347 437 M C -1.111 175.241 176.300 0.087 0.000 1.123 437 M CA -0.475 54.894 55.300 0.116 0.000 1.035 437 M CB 1.543 34.178 32.600 0.058 0.000 1.484 437 M HN 0.483 nan 8.290 nan 0.000 0.428 438 V N 3.015 122.970 119.914 0.067 0.000 2.808 438 V HA 0.830 4.971 4.120 0.034 0.000 0.308 438 V C -0.181 175.904 176.094 -0.015 0.000 1.099 438 V CA -0.335 61.999 62.300 0.056 0.000 0.920 438 V CB 2.241 34.133 31.823 0.114 0.000 1.014 438 V HN 0.882 nan 8.190 nan 0.000 0.425 439 G N 3.450 112.245 108.800 -0.007 0.000 2.507 439 G HA2 0.329 4.310 3.960 0.034 0.000 0.271 439 G HA3 0.329 4.310 3.960 0.034 0.000 0.271 439 G C 0.685 175.523 174.900 -0.102 0.000 1.189 439 G CA 0.390 45.452 45.100 -0.063 0.000 0.859 439 G HN 0.951 nan 8.290 nan 0.000 0.542 440 D N 0.771 121.024 120.400 -0.245 0.000 2.123 440 D HA -0.145 4.516 4.640 0.034 0.000 0.196 440 D C 2.214 178.464 176.300 -0.084 0.000 0.992 440 D CA 1.532 55.322 54.000 -0.351 0.000 0.833 440 D CB -1.019 39.502 40.800 -0.465 0.000 0.954 440 D HN 0.481 nan 8.370 nan 0.000 0.455 441 G N 0.404 109.193 108.800 -0.018 0.000 2.491 441 G HA2 -0.305 3.676 3.960 0.034 0.000 0.218 441 G HA3 -0.305 3.676 3.960 0.034 0.000 0.218 441 G C 1.906 176.951 174.900 0.242 0.000 1.180 441 G CA 1.595 46.782 45.100 0.145 0.000 0.774 441 G HN 0.394 nan 8.290 nan 0.000 0.562 442 S N 0.280 116.087 115.700 0.179 0.000 2.368 442 S HA -0.073 4.418 4.470 0.034 0.000 0.224 442 S C 1.895 176.591 174.600 0.159 0.000 1.029 442 S CA 1.025 59.312 58.200 0.145 0.000 0.988 442 S CB -0.395 62.871 63.200 0.110 0.000 0.838 442 S HN 0.385 nan 8.310 nan 0.000 0.462 443 F N 2.545 122.498 119.950 0.004 0.000 2.192 443 F HA -0.179 4.369 4.527 0.035 0.000 0.301 443 F C 2.288 178.132 175.800 0.074 0.000 1.079 443 F CA 1.452 59.469 58.000 0.027 0.000 1.303 443 F CB -0.358 38.620 39.000 -0.038 0.000 1.024 443 F HN 0.210 nan 8.300 nan 0.000 0.494 444 Q N -0.322 119.487 119.800 0.015 0.000 2.291 444 Q HA -0.144 4.216 4.340 0.034 0.000 0.205 444 Q C 2.052 178.104 176.000 0.086 0.000 0.970 444 Q CA 1.154 56.901 55.803 -0.093 0.000 0.876 444 Q CB -0.171 28.397 28.738 -0.283 0.000 0.935 444 Q HN 0.422 nan 8.270 nan 0.000 0.455 445 L N -0.308 120.970 121.223 0.091 0.000 2.217 445 L HA -0.086 4.274 4.340 0.034 0.000 0.211 445 L C 1.846 178.796 176.870 0.132 0.000 1.107 445 L CA 1.609 56.536 54.840 0.145 0.000 0.783 445 L CB 0.083 42.253 42.059 0.184 0.000 0.919 445 L HN 0.260 nan 8.230 nan 0.000 0.442 446 T N -6.354 108.225 114.554 0.042 0.000 3.328 446 T HA 0.341 4.712 4.350 0.034 0.000 0.305 446 T C 1.452 176.078 174.700 -0.123 0.000 0.939 446 T CA 0.211 62.319 62.100 0.014 0.000 0.950 446 T CB -0.008 68.894 68.868 0.056 0.000 1.182 446 T HN 0.024 nan 8.240 nan 0.000 0.545 447 A N 2.851 125.521 122.820 -0.250 0.000 1.958 447 A HA -0.249 4.092 4.320 0.034 0.000 0.221 447 A C 2.469 179.998 177.584 -0.092 0.000 1.178 447 A CA 2.099 53.831 52.037 -0.509 0.000 0.642 447 A CB -0.709 18.082 19.000 -0.349 0.000 0.816 447 A HN 0.743 nan 8.150 nan 0.000 0.453 448 Q N -0.756 119.039 119.800 -0.008 0.000 2.297 448 Q HA -0.219 4.142 4.340 0.034 0.000 0.208 448 Q C 1.309 177.067 176.000 -0.402 0.000 0.981 448 Q CA 1.774 57.491 55.803 -0.143 0.000 0.876 448 Q CB -0.461 28.244 28.738 -0.056 0.000 0.921 448 Q HN 0.585 nan 8.270 nan 0.000 0.446 449 E N 0.973 121.009 120.200 -0.273 0.000 2.338 449 E HA -0.041 4.330 4.350 0.034 0.000 0.197 449 E C 1.948 178.307 176.600 -0.402 0.000 1.007 449 E CA 0.479 56.665 56.400 -0.356 0.000 0.849 449 E CB -0.139 29.419 29.700 -0.237 0.000 0.774 449 E HN 0.235 nan 8.360 nan 0.000 0.506 450 V N 0.400 120.162 119.914 -0.253 0.000 2.568 450 V HA -0.293 3.848 4.120 0.034 0.000 0.253 450 V C 2.197 178.098 176.094 -0.321 0.000 1.072 450 V CA 1.650 63.887 62.300 -0.105 0.000 1.084 450 V CB -0.814 31.170 31.823 0.267 0.000 0.676 450 V HN 0.357 nan 8.190 nan 0.000 0.469 451 A N -0.759 121.564 122.820 -0.828 0.000 1.972 451 A HA -0.208 4.132 4.320 0.034 0.000 0.219 451 A C 2.189 179.536 177.584 -0.395 0.000 1.169 451 A CA 1.357 52.925 52.037 -0.783 0.000 0.635 451 A CB -0.305 18.053 19.000 -1.070 0.000 0.810 451 A HN 0.535 nan 8.150 nan 0.000 0.446 452 Q N -0.657 118.851 119.800 -0.486 0.000 2.187 452 Q HA -0.008 4.352 4.340 0.034 0.000 0.199 452 Q C 2.083 177.939 176.000 -0.240 0.000 0.957 452 Q CA 1.231 56.738 55.803 -0.493 0.000 0.857 452 Q CB -0.456 27.651 28.738 -1.052 0.000 0.929 452 Q HN 0.799 nan 8.270 nan 0.000 0.453 453 M N -0.148 119.353 119.600 -0.164 0.000 2.117 453 M HA -0.141 4.359 4.480 0.034 0.000 0.262 453 M C 2.238 178.598 176.300 0.101 0.000 1.065 453 M CA 1.129 56.519 55.300 0.150 0.000 1.114 453 M CB -0.411 32.283 32.600 0.156 0.000 1.361 453 M HN -0.048 nan 8.290 nan 0.000 0.408 454 V N 0.233 120.169 119.914 0.036 0.000 2.295 454 V HA -0.272 3.868 4.120 0.034 0.000 0.246 454 V C 2.432 178.562 176.094 0.059 0.000 1.049 454 V CA 1.965 64.301 62.300 0.061 0.000 1.024 454 V CB -0.844 31.022 31.823 0.071 0.000 0.648 454 V HN 0.464 nan 8.190 nan 0.000 0.447 455 R N -0.090 120.427 120.500 0.028 0.000 2.096 455 R HA -0.140 4.220 4.340 0.034 0.000 0.240 455 R C 1.988 178.340 176.300 0.087 0.000 1.139 455 R CA 1.715 57.845 56.100 0.049 0.000 0.952 455 R CB -0.219 30.093 30.300 0.021 0.000 0.854 455 R HN 0.449 nan 8.270 nan 0.000 0.436 456 L N 1.069 122.369 121.223 0.127 0.000 2.612 456 L HA 0.083 4.443 4.340 0.034 0.000 0.230 456 L C -0.028 176.910 176.870 0.113 0.000 1.140 456 L CA 0.054 54.979 54.840 0.140 0.000 0.896 456 L CB 0.183 42.369 42.059 0.212 0.000 1.065 456 L HN 0.186 nan 8.230 nan 0.000 0.447 457 K N 0.092 120.553 120.400 0.102 0.000 3.117 457 K HA -0.159 4.181 4.320 0.034 0.000 0.269 457 K C -0.312 176.339 176.600 0.086 0.000 1.098 457 K CA 0.708 57.045 56.287 0.084 0.000 0.785 457 K CB -2.487 30.054 32.500 0.068 0.000 1.242 457 K HN 0.351 nan 8.250 nan 0.000 0.491 458 L N 2.447 123.737 121.223 0.112 0.000 2.315 458 L HA 0.189 4.549 4.340 0.034 0.000 0.283 458 L C -1.478 175.447 176.870 0.092 0.000 1.089 458 L CA -1.716 53.188 54.840 0.107 0.000 0.833 458 L CB 0.448 42.599 42.059 0.154 0.000 1.170 458 L HN -0.157 nan 8.230 nan 0.000 0.442 459 P HA 0.134 nan 4.420 nan 0.000 0.273 459 P C -0.651 176.684 177.300 0.058 0.000 1.428 459 P CA -0.064 63.070 63.100 0.057 0.000 0.995 459 P CB 0.831 32.558 31.700 0.045 0.000 1.286 460 V N 5.890 125.841 119.914 0.061 0.000 2.448 460 V HA 0.344 4.485 4.120 0.034 0.000 0.295 460 V C 0.683 176.784 176.094 0.013 0.000 1.025 460 V CA -0.777 61.556 62.300 0.055 0.000 0.859 460 V CB 2.126 33.999 31.823 0.084 0.000 0.988 460 V HN 0.350 nan 8.190 nan 0.000 0.431 461 I N 6.050 126.613 120.570 -0.012 0.000 2.291 461 I HA 0.377 4.567 4.170 0.034 0.000 0.292 461 I C -0.356 175.662 176.117 -0.165 0.000 1.064 461 I CA -0.029 61.200 61.300 -0.117 0.000 1.269 461 I CB 0.651 38.585 38.000 -0.110 0.000 1.418 461 I HN 0.428 nan 8.210 nan 0.000 0.485 462 I N 6.657 127.091 120.570 -0.226 0.000 2.307 462 I HA 0.236 4.426 4.170 0.034 0.000 0.289 462 I C -0.574 175.352 176.117 -0.318 0.000 1.021 462 I CA -0.412 60.792 61.300 -0.161 0.000 1.224 462 I CB 0.538 38.499 38.000 -0.065 0.000 1.376 462 I HN 0.371 nan 8.210 nan 0.000 0.470 463 F N 6.720 126.632 119.950 -0.063 0.000 2.423 463 F HA 0.211 4.758 4.527 0.034 0.000 0.356 463 F C 0.291 175.998 175.800 -0.154 0.000 1.170 463 F CA -0.398 57.547 58.000 -0.091 0.000 1.163 463 F CB 0.523 39.490 39.000 -0.056 0.000 1.318 463 F HN 0.338 nan 8.300 nan 0.000 0.569 464 L N 6.025 127.159 121.223 -0.147 0.000 2.283 464 L HA 0.320 4.681 4.340 0.034 0.000 0.287 464 L C -0.487 176.201 176.870 -0.304 0.000 1.073 464 L CA -0.264 54.374 54.840 -0.337 0.000 0.822 464 L CB 0.341 42.035 42.059 -0.608 0.000 1.186 464 L HN 0.349 nan 8.230 nan 0.000 0.436 465 I N 5.552 125.979 120.570 -0.238 0.000 2.269 465 I HA 0.106 4.297 4.170 0.034 0.000 0.293 465 I C 0.514 176.470 176.117 -0.267 0.000 1.106 465 I CA -0.189 60.999 61.300 -0.186 0.000 1.248 465 I CB -0.192 37.758 38.000 -0.083 0.000 1.444 465 I HN 0.526 nan 8.210 nan 0.000 0.497 466 N N 6.069 124.557 118.700 -0.353 0.000 2.719 466 N HA 0.044 4.804 4.740 0.034 0.000 0.243 466 N C 0.525 175.959 175.510 -0.126 0.000 1.104 466 N CA -0.119 52.727 53.050 -0.339 0.000 0.981 466 N CB 0.137 38.302 38.487 -0.537 0.000 1.290 466 N HN 0.437 nan 8.380 nan 0.000 0.513 467 N N 2.703 121.377 118.700 -0.043 0.000 2.238 467 N HA -0.009 4.751 4.740 0.034 0.000 0.222 467 N C -0.559 175.034 175.510 0.138 0.000 1.133 467 N CA -0.555 52.524 53.050 0.048 0.000 0.854 467 N CB -0.515 37.986 38.487 0.024 0.000 1.041 467 N HN 0.298 nan 8.380 nan 0.000 0.510 468 Y N 0.401 120.669 120.300 -0.052 0.000 3.091 468 Y HA 0.028 4.599 4.550 0.034 0.000 0.189 468 Y C 0.377 176.219 175.900 -0.095 0.000 1.520 468 Y CA 0.773 58.848 58.100 -0.042 0.000 1.121 468 Y CB -1.300 37.163 38.460 0.006 0.000 1.411 468 Y HN 0.735 nan 8.280 nan 0.000 0.459 469 G N 0.684 109.379 108.800 -0.175 0.000 2.347 469 G HA2 0.143 4.124 3.960 0.034 0.000 0.341 469 G HA3 0.143 4.124 3.960 0.034 0.000 0.341 469 G C -1.410 173.335 174.900 -0.259 0.000 1.287 469 G CA -0.645 44.228 45.100 -0.377 0.000 0.984 469 G HN 0.362 nan 8.290 nan 0.000 0.526 470 Y N 1.726 122.003 120.300 -0.038 0.000 2.632 470 Y HA 0.428 4.999 4.550 0.035 0.000 0.336 470 Y C 2.153 178.052 175.900 -0.001 0.000 1.237 470 Y CA 0.211 58.303 58.100 -0.013 0.000 1.595 470 Y CB 0.266 38.733 38.460 0.011 0.000 1.508 470 Y HN 0.507 nan 8.280 nan 0.000 0.480 471 T N 2.109 116.731 114.554 0.113 0.000 2.746 471 T HA -0.228 4.143 4.350 0.034 0.000 0.267 471 T C 2.144 176.899 174.700 0.092 0.000 1.039 471 T CA 1.559 63.703 62.100 0.074 0.000 1.142 471 T CB -0.182 68.712 68.868 0.044 0.000 0.866 471 T HN 0.753 nan 8.240 nan 0.000 0.444 472 I N 0.885 121.517 120.570 0.103 0.000 2.264 472 I HA -0.235 3.956 4.170 0.034 0.000 0.248 472 I C 1.802 178.007 176.117 0.147 0.000 1.111 472 I CA 1.756 63.130 61.300 0.123 0.000 1.382 472 I CB -0.073 37.980 38.000 0.087 0.000 1.060 472 I HN 0.099 nan 8.210 nan 0.000 0.418 473 D N 0.029 120.515 120.400 0.144 0.000 2.194 473 D HA -0.088 4.573 4.640 0.034 0.000 0.204 473 D C 2.294 178.690 176.300 0.160 0.000 0.964 473 D CA 0.925 55.020 54.000 0.158 0.000 0.846 473 D CB 0.015 40.917 40.800 0.169 0.000 0.962 473 D HN 0.252 nan 8.370 nan 0.000 0.490 474 V N 0.883 120.873 119.914 0.127 0.000 2.490 474 V HA -0.203 3.937 4.120 0.034 0.000 0.250 474 V C 2.055 178.178 176.094 0.049 0.000 1.061 474 V CA 1.118 63.459 62.300 0.068 0.000 1.064 474 V CB -0.254 31.589 31.823 0.033 0.000 0.670 474 V HN 0.254 nan 8.190 nan 0.000 0.461 475 M N -1.656 117.983 119.600 0.066 0.000 2.502 475 M HA 0.234 4.734 4.480 0.034 0.000 0.243 475 M C 1.758 178.094 176.300 0.061 0.000 1.130 475 M CA 1.023 56.351 55.300 0.046 0.000 1.055 475 M CB -0.203 32.419 32.600 0.037 0.000 1.457 475 M HN 0.306 nan 8.290 nan 0.000 0.488 476 I N -1.556 119.072 120.570 0.097 0.000 2.685 476 I HA -0.027 4.164 4.170 0.034 0.000 0.251 476 I C 0.833 177.050 176.117 0.166 0.000 1.102 476 I CA 0.610 61.965 61.300 0.093 0.000 1.442 476 I CB 0.329 38.387 38.000 0.096 0.000 1.194 476 I HN 0.226 nan 8.210 nan 0.000 0.448 477 H N 0.912 120.026 119.070 0.075 0.000 3.235 477 H HA 0.168 4.744 4.556 0.035 0.000 0.324 477 H C -1.755 173.678 175.328 0.175 0.000 1.059 477 H CA -0.573 55.535 56.048 0.100 0.000 1.497 477 H CB 1.446 31.263 29.762 0.091 0.000 1.986 477 H HN -0.008 nan 8.280 nan 0.000 0.444 478 D N 2.119 122.397 120.400 -0.204 0.000 2.313 478 D HA 0.575 5.236 4.640 0.034 0.000 0.247 478 D C 0.321 176.471 176.300 -0.249 0.000 1.094 478 D CA 0.903 54.823 54.000 -0.132 0.000 0.925 478 D CB 1.575 42.284 40.800 -0.151 0.000 1.188 478 D HN 0.829 nan 8.370 nan 0.000 0.430 479 G N 1.185 109.692 108.800 -0.489 0.000 2.441 479 G HA2 0.283 4.264 3.960 0.034 0.000 0.294 479 G HA3 0.283 4.264 3.960 0.034 0.000 0.294 479 G C -2.414 171.944 174.900 -0.903 0.000 1.393 479 G CA -0.801 43.706 45.100 -0.988 0.000 0.796 479 G HN 0.270 nan 8.290 nan 0.000 0.494 480 P HA 0.014 nan 4.420 nan 0.000 0.223 480 P C 1.103 178.253 177.300 -0.249 0.000 1.151 480 P CA 0.930 63.822 63.100 -0.346 0.000 0.787 480 P CB -0.139 31.454 31.700 -0.179 0.000 0.788 481 Y N -2.044 118.282 120.300 0.042 0.000 2.632 481 Y HA 0.129 4.701 4.550 0.035 0.000 0.301 481 Y C 1.238 177.223 175.900 0.143 0.000 1.172 481 Y CA -0.009 58.140 58.100 0.082 0.000 1.328 481 Y CB -1.902 36.611 38.460 0.089 0.000 1.016 481 Y HN -0.093 nan 8.280 nan 0.000 0.529 482 N N 0.236 119.010 118.700 0.123 0.000 2.280 482 N HA -0.006 4.754 4.740 0.034 0.000 0.192 482 N C -0.740 174.685 175.510 -0.141 0.000 1.109 482 N CA 0.141 53.300 53.050 0.181 0.000 0.855 482 N CB -0.103 38.459 38.487 0.125 0.000 0.974 482 N HN 0.329 nan 8.380 nan 0.000 0.482 483 N N 1.044 119.631 118.700 -0.188 0.000 2.487 483 N HA 0.391 5.152 4.740 0.034 0.000 0.292 483 N C 0.180 175.502 175.510 -0.312 0.000 1.108 483 N CA -0.359 52.493 53.050 -0.329 0.000 0.956 483 N CB 1.820 40.137 38.487 -0.284 0.000 1.176 483 N HN 0.147 nan 8.380 nan 0.000 0.484 484 I N -2.861 117.475 120.570 -0.390 0.000 3.145 484 I HA 0.600 4.791 4.170 0.034 0.000 0.313 484 I C -0.252 175.831 176.117 -0.057 0.000 1.122 484 I CA -1.309 59.854 61.300 -0.228 0.000 0.987 484 I CB 1.822 39.633 38.000 -0.315 0.000 1.236 484 I HN 0.055 nan 8.210 nan 0.000 0.453 485 K N 2.839 123.275 120.400 0.058 0.000 2.349 485 K HA 0.196 4.536 4.320 0.034 0.000 0.288 485 K C -0.454 176.270 176.600 0.206 0.000 1.058 485 K CA 0.171 56.573 56.287 0.193 0.000 0.953 485 K CB 0.253 32.909 32.500 0.260 0.000 0.997 485 K HN 0.679 nan 8.250 nan 0.000 0.477 486 N N 3.588 122.477 118.700 0.315 0.000 2.518 486 N HA 0.170 4.930 4.740 0.034 0.000 0.266 486 N C -1.119 174.531 175.510 0.233 0.000 1.196 486 N CA -0.108 53.083 53.050 0.234 0.000 0.947 486 N CB 0.387 38.968 38.487 0.157 0.000 1.098 486 N HN 0.341 nan 8.380 nan 0.000 0.450 487 W N 0.570 121.649 121.300 -0.367 0.000 2.671 487 W HA 0.255 4.935 4.660 0.034 0.000 0.360 487 W C -0.156 176.043 176.519 -0.534 0.000 1.128 487 W CA -0.856 56.155 57.345 -0.557 0.000 1.184 487 W CB 0.085 29.053 29.460 -0.821 0.000 1.415 487 W HN 0.439 nan 8.180 nan 0.000 0.604 488 D N 0.726 121.083 120.400 -0.073 0.000 2.508 488 D HA 0.048 4.708 4.640 0.034 0.000 0.224 488 D C 0.629 176.921 176.300 -0.013 0.000 1.171 488 D CA -0.035 53.960 54.000 -0.009 0.000 1.006 488 D CB -0.226 40.576 40.800 0.004 0.000 1.073 488 D HN 0.179 nan 8.370 nan 0.000 0.513 489 Y N 2.162 122.537 120.300 0.125 0.000 2.181 489 Y HA -0.140 4.430 4.550 0.034 0.000 0.288 489 Y C 2.544 178.444 175.900 0.000 0.000 1.146 489 Y CA 1.260 59.401 58.100 0.068 0.000 1.164 489 Y CB -0.505 37.881 38.460 -0.124 0.000 0.982 489 Y HN 0.493 nan 8.280 nan 0.000 0.515 490 A N 0.234 123.141 122.820 0.146 0.000 1.978 490 A HA -0.148 4.193 4.320 0.034 0.000 0.220 490 A C 2.523 180.135 177.584 0.047 0.000 1.170 490 A CA 1.816 53.900 52.037 0.078 0.000 0.636 490 A CB -1.433 17.623 19.000 0.092 0.000 0.810 490 A HN 0.492 nan 8.150 nan 0.000 0.448 491 G N -0.755 108.064 108.800 0.032 0.000 2.511 491 G HA2 0.015 3.996 3.960 0.034 0.000 0.217 491 G HA3 0.015 3.996 3.960 0.034 0.000 0.217 491 G C 1.344 176.198 174.900 -0.075 0.000 1.133 491 G CA 0.849 45.940 45.100 -0.017 0.000 0.792 491 G HN 0.438 nan 8.290 nan 0.000 0.539 492 L N 0.716 121.884 121.223 -0.092 0.000 2.079 492 L HA -0.037 4.324 4.340 0.034 0.000 0.210 492 L C 2.619 179.285 176.870 -0.340 0.000 1.081 492 L CA 1.497 56.173 54.840 -0.275 0.000 0.752 492 L CB -0.367 41.596 42.059 -0.161 0.000 0.896 492 L HN 0.100 nan 8.230 nan 0.000 0.433 493 M N -0.910 118.643 119.600 -0.079 0.000 2.080 493 M HA -0.181 4.319 4.480 0.034 0.000 0.260 493 M C 2.115 178.443 176.300 0.047 0.000 1.068 493 M CA 1.502 56.833 55.300 0.051 0.000 1.109 493 M CB -1.351 31.301 32.600 0.086 0.000 1.342 493 M HN 0.264 nan 8.290 nan 0.000 0.405 494 E N 0.152 120.352 120.200 0.001 0.000 2.106 494 E HA -0.085 4.285 4.350 0.034 0.000 0.192 494 E C 2.373 178.977 176.600 0.005 0.000 0.984 494 E CA 0.878 57.286 56.400 0.014 0.000 0.806 494 E CB -0.492 29.209 29.700 0.001 0.000 0.750 494 E HN 0.324 nan 8.360 nan 0.000 0.458 495 V N 1.107 120.976 119.914 -0.074 0.000 2.287 495 V HA -0.246 3.894 4.120 0.034 0.000 0.248 495 V C 2.141 178.273 176.094 0.064 0.000 1.053 495 V CA 1.609 63.857 62.300 -0.086 0.000 1.027 495 V CB -0.559 31.110 31.823 -0.257 0.000 0.646 495 V HN 0.120 nan 8.190 nan 0.000 0.447 496 F N 0.717 120.685 119.950 0.030 0.000 2.206 496 F HA -0.045 4.503 4.527 0.034 0.000 0.298 496 F C 2.318 178.137 175.800 0.032 0.000 1.090 496 F CA 0.765 58.783 58.000 0.030 0.000 1.323 496 F CB -1.233 37.794 39.000 0.046 0.000 1.028 496 F HN 0.234 nan 8.300 nan 0.000 0.492 497 N N 0.218 119.051 118.700 0.222 0.000 2.104 497 N HA -0.120 4.641 4.740 0.034 0.000 0.190 497 N C 2.078 177.657 175.510 0.115 0.000 1.024 497 N CA 1.585 54.718 53.050 0.138 0.000 0.853 497 N CB -0.783 37.763 38.487 0.099 0.000 1.008 497 N HN 0.351 nan 8.380 nan 0.000 0.424 498 G N 0.407 109.270 108.800 0.105 0.000 2.196 498 G HA2 -0.327 3.654 3.960 0.034 0.000 0.268 498 G HA3 -0.327 3.654 3.960 0.034 0.000 0.268 498 G C -0.129 174.812 174.900 0.068 0.000 0.975 498 G CA 0.228 45.380 45.100 0.086 0.000 0.648 498 G HN 0.343 nan 8.290 nan 0.000 0.538 499 N N 1.121 119.857 118.700 0.060 0.000 2.276 499 N HA 0.286 5.046 4.740 0.034 0.000 0.279 499 N C 1.394 176.924 175.510 0.033 0.000 1.379 499 N CA 2.024 55.101 53.050 0.045 0.000 0.886 499 N CB 0.211 38.720 38.487 0.038 0.000 1.199 499 N HN 1.396 nan 8.380 nan 0.000 0.493 500 G N 0.286 109.104 108.800 0.031 0.000 2.738 500 G HA2 -0.126 3.854 3.960 0.034 0.000 0.195 500 G HA3 -0.126 3.854 3.960 0.034 0.000 0.195 500 G C 0.619 175.536 174.900 0.029 0.000 1.001 500 G CA 0.109 45.222 45.100 0.022 0.000 0.759 500 G HN 0.754 nan 8.290 nan 0.000 0.494 501 G N -0.473 108.357 108.800 0.051 0.000 3.226 501 G HA2 0.458 4.438 3.960 0.034 0.000 0.190 501 G HA3 0.458 4.438 3.960 0.034 0.000 0.190 501 G C 0.783 175.744 174.900 0.101 0.000 1.988 501 G CA 0.785 45.932 45.100 0.078 0.000 0.859 501 G HN 0.328 nan 8.290 nan 0.000 0.631 502 Y N 1.251 121.561 120.300 0.017 0.000 2.503 502 Y HA 0.202 4.773 4.550 0.035 0.000 0.236 502 Y C 1.697 177.608 175.900 0.019 0.000 1.047 502 Y CA 0.735 58.845 58.100 0.015 0.000 1.267 502 Y CB -0.159 38.309 38.460 0.013 0.000 1.093 502 Y HN 0.490 nan 8.280 nan 0.000 0.490 503 D N 0.773 121.480 120.400 0.512 0.000 2.169 503 D HA 0.251 4.911 4.640 0.034 0.000 0.253 503 D C -0.384 176.004 176.300 0.147 0.000 1.257 503 D CA 0.327 54.514 54.000 0.311 0.000 0.976 503 D CB 0.089 41.037 40.800 0.246 0.000 1.195 503 D HN 0.307 nan 8.370 nan 0.000 0.534 504 S N -3.383 112.385 115.700 0.113 0.000 2.651 504 S HA 0.789 5.279 4.470 0.034 0.000 0.279 504 S C -0.456 174.192 174.600 0.081 0.000 1.148 504 S CA -0.559 57.689 58.200 0.081 0.000 0.837 504 S CB 1.647 64.882 63.200 0.059 0.000 1.138 504 S HN 1.107 nan 8.310 nan 0.000 0.478 505 G N -0.939 107.906 108.800 0.075 0.000 2.742 505 G HA2 0.698 4.679 3.960 0.034 0.000 0.296 505 G HA3 0.698 4.679 3.960 0.034 0.000 0.296 505 G C -0.484 174.458 174.900 0.071 0.000 1.436 505 G CA -0.281 44.866 45.100 0.079 0.000 0.928 505 G HN 1.449 nan 8.290 nan 0.000 0.520 506 A N 0.757 123.618 122.820 0.069 0.000 2.676 506 A HA 0.704 5.045 4.320 0.034 0.000 0.297 506 A C 1.047 178.670 177.584 0.064 0.000 1.132 506 A CA 0.374 52.446 52.037 0.059 0.000 0.972 506 A CB -0.146 18.885 19.000 0.050 0.000 1.197 506 A HN 1.430 nan 8.150 nan 0.000 0.524 507 G N -0.034 108.816 108.800 0.083 0.000 2.527 507 G HA2 0.467 4.448 3.960 0.034 0.000 0.248 507 G HA3 0.467 4.448 3.960 0.034 0.000 0.248 507 G C -0.416 174.526 174.900 0.070 0.000 1.231 507 G CA -0.068 45.086 45.100 0.091 0.000 0.838 507 G HN 0.234 nan 8.290 nan 0.000 0.570 508 K N -0.414 120.019 120.400 0.056 0.000 2.427 508 K HA 0.609 4.949 4.320 0.034 0.000 0.252 508 K C -0.028 176.588 176.600 0.027 0.000 0.931 508 K CA -0.320 55.988 56.287 0.035 0.000 0.793 508 K CB 2.243 34.755 32.500 0.019 0.000 1.211 508 K HN 0.675 nan 8.250 nan 0.000 0.426 509 G N 3.078 111.893 108.800 0.026 0.000 2.487 509 G HA2 0.670 4.651 3.960 0.034 0.000 0.314 509 G HA3 0.670 4.651 3.960 0.034 0.000 0.314 509 G C -1.132 173.780 174.900 0.021 0.000 1.267 509 G CA -0.504 44.609 45.100 0.021 0.000 0.937 509 G HN 0.396 nan 8.290 nan 0.000 0.481 510 L N 1.144 122.374 121.223 0.011 0.000 2.333 510 L HA 0.627 4.988 4.340 0.034 0.000 0.263 510 L C -0.145 176.764 176.870 0.065 0.000 1.014 510 L CA -1.097 53.761 54.840 0.031 0.000 0.820 510 L CB 2.703 44.769 42.059 0.011 0.000 1.352 510 L HN 0.323 nan 8.230 nan 0.000 0.421 511 K N 1.220 121.689 120.400 0.115 0.000 2.270 511 K HA 0.795 5.136 4.320 0.034 0.000 0.255 511 K C -1.027 175.700 176.600 0.211 0.000 0.936 511 K CA -0.605 55.824 56.287 0.236 0.000 0.809 511 K CB 2.328 35.008 32.500 0.300 0.000 1.131 511 K HN 0.645 nan 8.250 nan 0.000 0.427 512 A N 2.858 125.851 122.820 0.288 0.000 2.340 512 A HA 0.314 4.655 4.320 0.034 0.000 0.297 512 A C -0.143 177.617 177.584 0.294 0.000 1.195 512 A CA -0.687 51.479 52.037 0.215 0.000 0.769 512 A CB 0.519 19.609 19.000 0.151 0.000 1.163 512 A HN 0.829 nan 8.150 nan 0.000 0.472 513 K N 0.900 121.394 120.400 0.158 0.000 2.374 513 K HA 0.164 4.505 4.320 0.034 0.000 0.202 513 K C 0.289 176.926 176.600 0.061 0.000 1.040 513 K CA 0.801 57.146 56.287 0.097 0.000 1.085 513 K CB 0.898 33.353 32.500 -0.076 0.000 0.873 513 K HN 0.833 nan 8.250 nan 0.000 0.539 514 T N -4.793 109.798 114.554 0.063 0.000 2.816 514 T HA 0.336 4.706 4.350 0.034 0.000 0.299 514 T C 1.074 175.805 174.700 0.052 0.000 1.230 514 T CA -0.491 61.636 62.100 0.045 0.000 1.007 514 T CB 1.573 70.456 68.868 0.026 0.000 1.289 514 T HN -0.029 nan 8.240 nan 0.000 0.508 515 G N 0.057 108.881 108.800 0.041 0.000 2.422 515 G HA2 0.115 4.095 3.960 0.034 0.000 0.218 515 G HA3 0.115 4.095 3.960 0.034 0.000 0.218 515 G C 1.470 176.395 174.900 0.042 0.000 1.146 515 G CA 0.881 46.006 45.100 0.041 0.000 0.769 515 G HN 1.167 nan 8.290 nan 0.000 0.547 516 G N 0.641 109.461 108.800 0.034 0.000 2.421 516 G HA2 -0.142 3.838 3.960 0.034 0.000 0.216 516 G HA3 -0.142 3.838 3.960 0.034 0.000 0.216 516 G C 1.604 176.528 174.900 0.039 0.000 1.171 516 G CA 1.096 46.215 45.100 0.032 0.000 0.775 516 G HN 0.518 nan 8.290 nan 0.000 0.543 517 E N -0.274 119.951 120.200 0.043 0.000 2.051 517 E HA -0.114 4.257 4.350 0.034 0.000 0.192 517 E C 2.401 179.039 176.600 0.065 0.000 0.991 517 E CA 0.846 57.275 56.400 0.050 0.000 0.799 517 E CB -0.229 29.503 29.700 0.053 0.000 0.748 517 E HN 0.314 nan 8.360 nan 0.000 0.449 518 L N 1.118 122.389 121.223 0.079 0.000 2.042 518 L HA -0.189 4.171 4.340 0.034 0.000 0.210 518 L C 2.186 179.115 176.870 0.098 0.000 1.076 518 L CA 2.084 56.986 54.840 0.103 0.000 0.749 518 L CB -0.623 41.504 42.059 0.114 0.000 0.893 518 L HN 0.055 nan 8.230 nan 0.000 0.432 519 A N -0.946 121.918 122.820 0.074 0.000 1.902 519 A HA -0.236 4.104 4.320 0.034 0.000 0.217 519 A C 2.265 179.883 177.584 0.057 0.000 1.181 519 A CA 1.680 53.757 52.037 0.066 0.000 0.623 519 A CB -0.688 18.341 19.000 0.048 0.000 0.818 519 A HN 0.529 nan 8.150 nan 0.000 0.443 520 E N 0.155 120.384 120.200 0.047 0.000 2.072 520 E HA -0.038 4.333 4.350 0.034 0.000 0.191 520 E C 2.042 178.664 176.600 0.037 0.000 0.985 520 E CA 1.495 57.917 56.400 0.038 0.000 0.801 520 E CB -0.459 29.259 29.700 0.031 0.000 0.750 520 E HN 0.463 nan 8.360 nan 0.000 0.452 521 A N 0.566 123.410 122.820 0.041 0.000 1.940 521 A HA -0.167 4.174 4.320 0.034 0.000 0.219 521 A C 2.346 179.938 177.584 0.014 0.000 1.176 521 A CA 1.513 53.565 52.037 0.026 0.000 0.631 521 A CB -0.722 18.296 19.000 0.030 0.000 0.814 521 A HN 0.367 nan 8.150 nan 0.000 0.446 522 I N -0.800 119.801 120.570 0.051 0.000 2.179 522 I HA -0.268 3.923 4.170 0.034 0.000 0.242 522 I C 2.583 178.726 176.117 0.044 0.000 1.088 522 I CA 1.790 63.130 61.300 0.068 0.000 1.357 522 I CB -0.283 37.806 38.000 0.150 0.000 1.051 522 I HN 0.376 nan 8.210 nan 0.000 0.409 523 K N 0.738 121.164 120.400 0.043 0.000 2.063 523 K HA -0.192 4.148 4.320 0.034 0.000 0.208 523 K C 2.052 178.665 176.600 0.022 0.000 1.048 523 K CA 1.619 57.926 56.287 0.034 0.000 0.928 523 K CB -0.000 32.519 32.500 0.031 0.000 0.713 523 K HN 0.127 nan 8.250 nan 0.000 0.442 524 V N 1.023 120.946 119.914 0.015 0.000 2.343 524 V HA -0.249 3.891 4.120 0.034 0.000 0.247 524 V C 2.392 178.486 176.094 -0.001 0.000 1.051 524 V CA 1.916 64.221 62.300 0.008 0.000 1.036 524 V CB -0.718 31.109 31.823 0.006 0.000 0.654 524 V HN 0.459 nan 8.190 nan 0.000 0.451 525 A N 0.182 122.992 122.820 -0.017 0.000 1.865 525 A HA -0.194 4.146 4.320 0.034 0.000 0.217 525 A C 2.209 179.788 177.584 -0.009 0.000 1.191 525 A CA 2.022 54.037 52.037 -0.036 0.000 0.623 525 A CB -0.677 18.264 19.000 -0.099 0.000 0.826 525 A HN 0.500 nan 8.150 nan 0.000 0.444 526 L N -0.851 120.378 121.223 0.009 0.000 2.081 526 L HA -0.245 4.115 4.340 0.034 0.000 0.212 526 L C 2.989 179.871 176.870 0.021 0.000 1.080 526 L CA 1.184 56.038 54.840 0.023 0.000 0.754 526 L CB -0.536 41.544 42.059 0.034 0.000 0.893 526 L HN 0.467 nan 8.230 nan 0.000 0.433 527 A N -0.707 122.123 122.820 0.018 0.000 1.970 527 A HA -0.151 4.189 4.320 0.034 0.000 0.216 527 A C 1.338 178.933 177.584 0.018 0.000 1.170 527 A CA 0.441 52.489 52.037 0.018 0.000 0.645 527 A CB -0.582 18.428 19.000 0.017 0.000 0.816 527 A HN 0.495 nan 8.150 nan 0.000 0.447 528 N N 1.350 120.059 118.700 0.015 0.000 2.421 528 N HA 0.069 4.829 4.740 0.034 0.000 0.260 528 N C 0.316 175.839 175.510 0.023 0.000 1.173 528 N CA 0.595 53.656 53.050 0.018 0.000 0.960 528 N CB 0.293 38.788 38.487 0.014 0.000 1.273 528 N HN 0.317 nan 8.380 nan 0.000 0.497 529 T N -0.960 113.610 114.554 0.027 0.000 3.174 529 T HA 0.099 4.470 4.350 0.034 0.000 0.269 529 T C 0.552 175.274 174.700 0.036 0.000 1.017 529 T CA -0.419 61.700 62.100 0.031 0.000 0.899 529 T CB 0.447 69.332 68.868 0.028 0.000 1.077 529 T HN 0.256 nan 8.240 nan 0.000 0.552 530 D N 0.984 121.407 120.400 0.038 0.000 2.388 530 D HA 0.337 4.998 4.640 0.034 0.000 0.208 530 D C 0.929 177.261 176.300 0.053 0.000 1.035 530 D CA 0.509 54.535 54.000 0.043 0.000 0.875 530 D CB 0.786 41.609 40.800 0.038 0.000 0.984 530 D HN 0.616 nan 8.370 nan 0.000 0.508 531 G N -0.115 108.718 108.800 0.055 0.000 2.606 531 G HA2 0.429 4.410 3.960 0.034 0.000 0.300 531 G HA3 0.429 4.410 3.960 0.034 0.000 0.300 531 G C -3.001 171.937 174.900 0.063 0.000 1.360 531 G CA -0.941 44.200 45.100 0.067 0.000 0.783 531 G HN -0.214 nan 8.290 nan 0.000 0.484 532 P HA 0.374 nan 4.420 nan 0.000 0.277 532 P C -0.674 176.652 177.300 0.044 0.000 1.240 532 P CA 0.033 63.173 63.100 0.067 0.000 0.798 532 P CB 1.423 33.183 31.700 0.100 0.000 0.979 533 T N 2.585 117.139 114.554 -0.001 0.000 2.833 533 T HA 0.382 4.753 4.350 0.034 0.000 0.297 533 T C -0.179 174.466 174.700 -0.092 0.000 1.015 533 T CA -0.398 61.679 62.100 -0.037 0.000 0.963 533 T CB 0.408 69.237 68.868 -0.066 0.000 0.955 533 T HN 0.286 nan 8.240 nan 0.000 0.449 534 L N 5.309 126.496 121.223 -0.060 0.000 2.257 534 L HA 0.596 4.956 4.340 0.034 0.000 0.290 534 L C -0.859 175.927 176.870 -0.139 0.000 1.044 534 L CA -0.678 54.096 54.840 -0.110 0.000 0.810 534 L CB 0.252 42.281 42.059 -0.051 0.000 1.193 534 L HN 0.632 nan 8.230 nan 0.000 0.425 535 I N 5.080 125.515 120.570 -0.225 0.000 2.306 535 I HA 0.228 4.418 4.170 0.034 0.000 0.288 535 I C 0.091 176.120 176.117 -0.146 0.000 1.036 535 I CA -0.353 60.846 61.300 -0.168 0.000 1.221 535 I CB 1.322 39.186 38.000 -0.226 0.000 1.385 535 I HN 0.617 nan 8.210 nan 0.000 0.472 536 E N 6.265 126.392 120.200 -0.121 0.000 2.104 536 E HA 0.195 4.566 4.350 0.034 0.000 0.278 536 E C -1.117 175.323 176.600 -0.267 0.000 1.127 536 E CA -0.511 55.739 56.400 -0.249 0.000 0.897 536 E CB 0.580 30.157 29.700 -0.206 0.000 1.043 536 E HN 0.622 nan 8.360 nan 0.000 0.410 537 C N 6.011 125.144 119.300 -0.278 0.000 2.285 537 C HA 0.365 4.845 4.460 0.034 0.000 0.335 537 C C -0.436 174.402 174.990 -0.254 0.000 1.267 537 C CA -0.777 58.165 59.018 -0.127 0.000 1.762 537 C CB -0.897 26.839 27.740 -0.006 0.000 2.365 537 C HN 0.604 nan 8.230 nan 0.000 0.527 538 F N 5.067 125.020 119.950 0.006 0.000 2.391 538 F HA 0.648 5.196 4.527 0.035 0.000 0.359 538 F C 0.610 176.413 175.800 0.006 0.000 1.122 538 F CA -0.455 57.547 58.000 0.003 0.000 1.120 538 F CB 0.390 39.392 39.000 0.002 0.000 1.142 538 F HN 0.502 nan 8.300 nan 0.000 0.483 539 I N -0.606 120.043 120.570 0.131 0.000 3.174 539 I HA 0.930 5.121 4.170 0.034 0.000 0.313 539 I C 0.065 176.232 176.117 0.083 0.000 1.155 539 I CA -1.349 60.005 61.300 0.090 0.000 0.977 539 I CB 1.834 39.863 38.000 0.048 0.000 1.248 539 I HN 0.529 nan 8.210 nan 0.000 0.453 540 G N 1.266 110.104 108.800 0.064 0.000 2.503 540 G HA2 0.234 4.214 3.960 0.034 0.000 0.257 540 G HA3 0.234 4.214 3.960 0.034 0.000 0.257 540 G C 0.488 175.420 174.900 0.052 0.000 1.214 540 G CA -0.418 44.719 45.100 0.061 0.000 0.839 540 G HN 0.991 nan 8.290 nan 0.000 0.559 541 R N 0.443 120.978 120.500 0.059 0.000 2.091 541 R HA -0.132 4.228 4.340 0.034 0.000 0.238 541 R C 1.801 178.114 176.300 0.021 0.000 1.136 541 R CA 2.107 58.230 56.100 0.039 0.000 0.959 541 R CB -0.113 30.206 30.300 0.031 0.000 0.856 541 R HN 0.564 nan 8.270 nan 0.000 0.437 542 E N 0.389 120.599 120.200 0.017 0.000 2.371 542 E HA -0.063 4.307 4.350 0.034 0.000 0.194 542 E C -0.107 176.494 176.600 0.001 0.000 1.012 542 E CA 0.649 57.051 56.400 0.004 0.000 0.860 542 E CB 0.039 29.740 29.700 0.001 0.000 0.811 542 E HN 0.281 nan 8.360 nan 0.000 0.502 543 D N 0.877 121.283 120.400 0.009 0.000 2.545 543 D HA 0.026 4.686 4.640 0.034 0.000 0.227 543 D C -0.624 175.677 176.300 0.003 0.000 1.150 543 D CA -0.277 53.726 54.000 0.005 0.000 1.046 543 D CB -0.529 40.280 40.800 0.014 0.000 1.098 543 D HN 0.167 nan 8.370 nan 0.000 0.502 544 C N 0.545 119.839 119.300 -0.010 0.000 2.871 544 C HA 0.854 5.335 4.460 0.034 0.000 0.351 544 C C 0.767 175.736 174.990 -0.036 0.000 1.338 544 C CA -0.752 58.258 59.018 -0.014 0.000 1.686 544 C CB 0.648 28.376 27.740 -0.020 0.000 2.135 544 C HN 0.487 nan 8.230 nan 0.000 0.476 545 T N -0.310 114.216 114.554 -0.046 0.000 2.932 545 T HA 0.185 4.556 4.350 0.034 0.000 0.312 545 T C 0.845 175.461 174.700 -0.139 0.000 1.071 545 T CA 0.150 62.205 62.100 -0.075 0.000 1.128 545 T CB 0.481 69.314 68.868 -0.059 0.000 0.984 545 T HN 0.786 nan 8.240 nan 0.000 0.549 546 E N 1.943 122.072 120.200 -0.118 0.000 2.150 546 E HA -0.138 4.233 4.350 0.034 0.000 0.193 546 E C 1.914 178.393 176.600 -0.203 0.000 0.985 546 E CA 1.176 57.499 56.400 -0.127 0.000 0.814 546 E CB -0.194 29.453 29.700 -0.087 0.000 0.752 546 E HN 0.825 nan 8.360 nan 0.000 0.466 547 E N 1.244 121.287 120.200 -0.262 0.000 2.070 547 E HA -0.195 4.175 4.350 0.034 0.000 0.197 547 E C 2.050 178.203 176.600 -0.745 0.000 1.004 547 E CA 0.857 57.011 56.400 -0.411 0.000 0.805 547 E CB -0.323 29.177 29.700 -0.332 0.000 0.744 547 E HN 0.103 nan 8.360 nan 0.000 0.451 548 L N 0.351 120.945 121.223 -1.049 0.000 2.042 548 L HA -0.177 4.184 4.340 0.034 0.000 0.210 548 L C 2.065 178.734 176.870 -0.335 0.000 1.076 548 L CA 1.555 55.766 54.840 -1.048 0.000 0.749 548 L CB -0.544 41.130 42.059 -0.643 0.000 0.893 548 L HN 0.034 nan 8.230 nan 0.000 0.432 549 V N -0.070 119.701 119.914 -0.238 0.000 2.343 549 V HA -0.306 3.835 4.120 0.034 0.000 0.247 549 V C 2.612 178.651 176.094 -0.091 0.000 1.051 549 V CA 2.298 64.528 62.300 -0.115 0.000 1.036 549 V CB -0.721 31.044 31.823 -0.096 0.000 0.654 549 V HN 0.505 nan 8.190 nan 0.000 0.451 550 K N -1.292 119.038 120.400 -0.117 0.000 2.007 550 K HA -0.207 4.133 4.320 0.034 0.000 0.206 550 K C 1.995 178.557 176.600 -0.063 0.000 1.047 550 K CA 1.779 58.015 56.287 -0.085 0.000 0.937 550 K CB -0.379 32.066 32.500 -0.091 0.000 0.718 550 K HN 0.576 nan 8.250 nan 0.000 0.438 551 W N 1.890 123.008 121.300 -0.304 0.000 2.342 551 W HA -0.168 4.513 4.660 0.033 0.000 0.297 551 W C 1.925 178.340 176.519 -0.173 0.000 1.213 551 W CA 2.010 59.189 57.345 -0.277 0.000 1.251 551 W CB -0.540 28.687 29.460 -0.387 0.000 1.136 551 W HN 0.117 nan 8.180 nan 0.000 0.526 552 G N 0.529 109.370 108.800 0.068 0.000 2.422 552 G HA2 -0.288 3.692 3.960 0.034 0.000 0.218 552 G HA3 -0.288 3.692 3.960 0.034 0.000 0.218 552 G C 1.476 176.271 174.900 -0.175 0.000 1.146 552 G CA 1.190 46.251 45.100 -0.064 0.000 0.769 552 G HN 0.326 nan 8.290 nan 0.000 0.547 553 K N -0.146 120.182 120.400 -0.120 0.000 2.097 553 K HA -0.016 4.324 4.320 0.034 0.000 0.205 553 K C 2.738 179.258 176.600 -0.133 0.000 1.050 553 K CA 0.664 56.894 56.287 -0.095 0.000 0.938 553 K CB -0.079 32.384 32.500 -0.061 0.000 0.718 553 K HN 0.011 nan 8.250 nan 0.000 0.442 554 R N 0.793 121.174 120.500 -0.199 0.000 2.066 554 R HA -0.052 4.309 4.340 0.034 0.000 0.232 554 R C 2.360 178.505 176.300 -0.259 0.000 1.131 554 R CA 0.800 56.779 56.100 -0.202 0.000 0.955 554 R CB -1.206 28.959 30.300 -0.223 0.000 0.851 554 R HN 0.043 nan 8.270 nan 0.000 0.432 555 V N 1.466 121.095 119.914 -0.476 0.000 2.287 555 V HA -0.247 3.893 4.120 0.034 0.000 0.248 555 V C 2.489 178.464 176.094 -0.198 0.000 1.053 555 V CA 2.008 64.035 62.300 -0.455 0.000 1.027 555 V CB -0.943 30.361 31.823 -0.866 0.000 0.646 555 V HN 0.348 nan 8.190 nan 0.000 0.447 556 A N -0.232 122.492 122.820 -0.161 0.000 1.908 556 A HA -0.141 4.200 4.320 0.034 0.000 0.218 556 A C 2.398 179.961 177.584 -0.036 0.000 1.181 556 A CA 2.221 54.223 52.037 -0.059 0.000 0.627 556 A CB -0.756 18.239 19.000 -0.009 0.000 0.818 556 A HN 0.590 nan 8.150 nan 0.000 0.445 557 A N -0.239 122.556 122.820 -0.041 0.000 1.898 557 A HA 0.218 4.559 4.320 0.034 0.000 0.216 557 A C 2.520 180.113 177.584 0.015 0.000 1.181 557 A CA 1.962 53.993 52.037 -0.010 0.000 0.620 557 A CB -1.047 17.947 19.000 -0.011 0.000 0.819 557 A HN 1.031 nan 8.150 nan 0.000 0.442 558 A N 0.612 123.446 122.820 0.022 0.000 1.865 558 A HA -0.239 4.101 4.320 0.034 0.000 0.217 558 A C 1.923 179.565 177.584 0.096 0.000 1.191 558 A CA 1.965 54.067 52.037 0.108 0.000 0.623 558 A CB -0.759 18.316 19.000 0.125 0.000 0.826 558 A HN 0.536 nan 8.150 nan 0.000 0.444 559 N N 0.528 119.255 118.700 0.046 0.000 2.104 559 N HA -0.132 4.629 4.740 0.034 0.000 0.190 559 N C 1.803 177.320 175.510 0.011 0.000 1.024 559 N CA 1.957 55.026 53.050 0.032 0.000 0.853 559 N CB -0.451 38.036 38.487 -0.000 0.000 1.008 559 N HN 0.637 nan 8.380 nan 0.000 0.424 560 S N 0.310 116.008 115.700 -0.003 0.000 2.556 560 S HA 0.068 4.558 4.470 0.034 0.000 0.216 560 S C 0.544 175.143 174.600 -0.002 0.000 0.970 560 S CA -0.637 57.552 58.200 -0.018 0.000 0.912 560 S CB -0.035 63.144 63.200 -0.035 0.000 0.790 560 S HN 0.331 nan 8.310 nan 0.000 0.504 561 R N 1.833 122.342 120.500 0.015 0.000 2.585 561 R HA 0.172 4.533 4.340 0.034 0.000 0.275 561 R C -0.450 175.852 176.300 0.003 0.000 1.018 561 R CA -0.244 55.864 56.100 0.014 0.000 1.072 561 R CB 0.271 30.588 30.300 0.027 0.000 0.953 561 R HN -0.070 nan 8.270 nan 0.000 0.419 562 K N 3.367 123.766 120.400 -0.001 0.000 2.319 562 K HA 0.160 4.501 4.320 0.034 0.000 0.265 562 K C -1.943 174.651 176.600 -0.009 0.000 1.000 562 K CA -1.596 54.687 56.287 -0.006 0.000 0.943 562 K CB 0.152 32.649 32.500 -0.005 0.000 0.950 562 K HN 0.580 nan 8.250 nan 0.000 0.485 563 P HA -0.030 nan 4.420 nan 0.000 0.264 563 P C -0.718 176.572 177.300 -0.017 0.000 1.183 563 P CA -0.045 63.046 63.100 -0.014 0.000 0.763 563 P CB 0.359 32.051 31.700 -0.013 0.000 0.807 564 V N 4.319 124.220 119.914 -0.022 0.000 2.406 564 V HA 0.106 4.247 4.120 0.034 0.000 0.272 564 V C 0.635 176.716 176.094 -0.022 0.000 1.043 564 V CA -0.820 61.465 62.300 -0.024 0.000 0.915 564 V CB 0.449 32.252 31.823 -0.033 0.000 0.988 564 V HN 0.538 nan 8.190 nan 0.000 0.466 565 N N 5.140 123.828 118.700 -0.019 0.000 2.301 565 N HA 0.017 4.778 4.740 0.034 0.000 0.267 565 N C -0.114 175.385 175.510 -0.019 0.000 1.304 565 N CA 0.568 53.608 53.050 -0.017 0.000 0.851 565 N CB 0.908 39.387 38.487 -0.014 0.000 1.070 565 N HN 0.646 nan 8.380 nan 0.000 0.483 566 K N 0.000 120.390 120.400 -0.017 0.000 2.780 566 K HA 0.000 4.341 4.320 0.034 0.000 0.191 566 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 566 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 566 K HN 0.000 nan 8.250 nan 0.000 0.543