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 3d4g_1_D DATA FIRST_RESID 5 DATA SEQUENCE EGKLVIWING DKGYNGLAEV GKKFEKDTGI KVTVEHPDKL EEKFPQVAAT DATA SEQUENCE GDGPDIIFWA HDRFGGYAQS GLLAEITPDK AFQDKLYPFT WDAVRYNGKL DATA SEQUENCE IAYPIAVEAL SLIYNKDLLP NPPKTWEEIP ALDKELKAKG KSALMFNLQE DATA SEQUENCE PYFTWPLIAA DGGYAFKYEN GKYDIKDVGV DNAGAKAGLT FLVDLIKNKH DATA SEQUENCE MNADTDYSIA EAAFNKGETA MTINGPWAWS NIDTSKVNYG VTVLPTFKGQ DATA SEQUENCE PSKPFVGVLS AGINAASPNK ELAKEFLENY LLTDEGLEAV NKDKPLGAVA DATA SEQUENCE LKSYEEELAK DPRIAATMEN AQKGEIMPNI PQMSAFWYAV RTAVINAASG DATA SEQUENCE RQTVDAALAA AQTNAAAVKV EcLEAELVVT VSRDLFGTGK LVQPGDLTLG DATA SEQUENCE SEGcQPRVSV DTDVVRFNAQ LHEcSSRVQM TKDALVYSTF LLHDPRPVSG DATA SEQUENCE LSILRTNRVE VPIEcRYPR 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.599 176.600 -0.002 0.000 1.382 5 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 5 E CB 0.000 29.696 29.700 -0.006 0.000 0.812 6 G N 2.680 111.483 108.800 0.005 0.000 2.141 6 G HA2 -0.247 3.713 3.960 0.001 0.000 0.242 6 G HA3 -0.247 3.713 3.960 0.001 0.000 0.242 6 G C -0.262 174.647 174.900 0.016 0.000 0.982 6 G CA 0.827 45.934 45.100 0.010 0.000 0.662 6 G HN 0.695 nan 8.290 nan 0.000 0.527 7 K N -1.311 119.095 120.400 0.011 0.000 2.571 7 K HA 0.810 5.130 4.320 0.001 0.000 0.289 7 K C -1.459 175.128 176.600 -0.022 0.000 1.028 7 K CA -1.330 54.961 56.287 0.007 0.000 0.895 7 K CB 1.151 33.650 32.500 -0.002 0.000 1.534 7 K HN 0.247 nan 8.250 nan 0.000 0.421 8 L N 1.778 122.966 121.223 -0.060 0.000 2.376 8 L HA 0.491 4.831 4.340 0.001 0.000 0.275 8 L C -1.112 175.687 176.870 -0.119 0.000 0.987 8 L CA -1.252 53.510 54.840 -0.131 0.000 0.828 8 L CB 2.172 44.059 42.059 -0.286 0.000 1.249 8 L HN 0.396 nan 8.230 nan 0.000 0.409 9 V N 4.810 124.670 119.914 -0.089 0.000 2.435 9 V HA 0.505 4.626 4.120 0.001 0.000 0.290 9 V C -0.010 176.062 176.094 -0.037 0.000 1.030 9 V CA -0.340 61.936 62.300 -0.040 0.000 0.881 9 V CB 2.001 33.813 31.823 -0.017 0.000 0.983 9 V HN 0.502 nan 8.190 nan 0.000 0.445 10 I N 3.572 124.180 120.570 0.064 0.000 2.465 10 I HA 0.438 4.609 4.170 0.001 0.000 0.291 10 I C -1.140 175.219 176.117 0.404 0.000 1.014 10 I CA -0.410 60.989 61.300 0.164 0.000 1.093 10 I CB 2.122 40.199 38.000 0.127 0.000 1.267 10 I HN 0.508 nan 8.210 nan 0.000 0.431 11 W N 7.203 128.585 121.300 0.137 0.000 2.433 11 W HA 0.712 5.372 4.660 0.001 0.000 0.315 11 W C -0.337 176.314 176.519 0.221 0.000 1.087 11 W CA -1.009 56.410 57.345 0.125 0.000 1.205 11 W CB 1.255 30.770 29.460 0.091 0.000 1.288 11 W HN 0.218 nan 8.180 nan 0.000 0.504 12 I N 3.182 123.945 120.570 0.322 0.000 2.827 12 I HA 0.255 4.426 4.170 0.001 0.000 0.298 12 I C -0.390 175.818 176.117 0.152 0.000 1.235 12 I CA -0.836 60.601 61.300 0.228 0.000 1.021 12 I CB 1.700 39.674 38.000 -0.044 0.000 1.259 12 I HN 0.257 nan 8.210 nan 0.000 0.427 13 N N 3.572 122.348 118.700 0.126 0.000 2.441 13 N HA 0.171 4.911 4.740 0.001 0.000 0.251 13 N C 1.075 176.573 175.510 -0.021 0.000 1.242 13 N CA 1.194 54.270 53.050 0.043 0.000 0.898 13 N CB 1.528 39.906 38.487 -0.182 0.000 1.100 13 N HN 0.753 nan 8.380 nan 0.000 0.443 14 G N 1.100 109.880 108.800 -0.035 0.000 2.498 14 G HA2 -0.239 3.722 3.960 0.001 0.000 0.219 14 G HA3 -0.239 3.722 3.960 0.001 0.000 0.219 14 G C 0.717 175.611 174.900 -0.011 0.000 1.119 14 G CA 0.947 46.013 45.100 -0.056 0.000 0.766 14 G HN 0.826 nan 8.290 nan 0.000 0.552 15 D N -0.396 119.894 120.400 -0.183 0.000 2.340 15 D HA 0.059 4.700 4.640 0.001 0.000 0.220 15 D C 0.883 177.062 176.300 -0.202 0.000 1.039 15 D CA 0.209 54.055 54.000 -0.256 0.000 0.866 15 D CB 0.187 40.642 40.800 -0.575 0.000 0.913 15 D HN 0.007 nan 8.370 nan 0.000 0.523 16 K N 0.197 120.506 120.400 -0.150 0.000 2.177 16 K HA 0.517 4.837 4.320 0.001 0.000 0.238 16 K C 0.882 177.415 176.600 -0.111 0.000 1.015 16 K CA -0.712 55.510 56.287 -0.108 0.000 0.922 16 K CB 0.741 33.166 32.500 -0.125 0.000 1.127 16 K HN 0.026 nan 8.250 nan 0.000 0.469 17 G N 1.821 110.554 108.800 -0.113 0.000 3.102 17 G HA2 0.081 4.042 3.960 0.001 0.000 0.264 17 G HA3 0.081 4.042 3.960 0.001 0.000 0.264 17 G C 0.712 175.506 174.900 -0.177 0.000 0.788 17 G CA -0.123 44.870 45.100 -0.177 0.000 2.029 17 G HN 0.591 nan 8.290 nan 0.000 0.608 18 Y N -0.503 119.728 120.300 -0.115 0.000 2.373 18 Y HA -0.003 4.548 4.550 0.001 0.000 0.293 18 Y C 2.017 177.889 175.900 -0.046 0.000 1.129 18 Y CA 0.786 58.824 58.100 -0.102 0.000 1.226 18 Y CB -0.514 37.878 38.460 -0.112 0.000 1.000 18 Y HN 0.361 nan 8.280 nan 0.000 0.549 19 N N 0.709 119.298 118.700 -0.185 0.000 2.188 19 N HA -0.063 4.677 4.740 0.001 0.000 0.184 19 N C 2.172 177.676 175.510 -0.011 0.000 1.018 19 N CA 1.095 54.121 53.050 -0.040 0.000 0.858 19 N CB -0.446 37.964 38.487 -0.129 0.000 0.989 19 N HN 0.551 nan 8.380 nan 0.000 0.426 20 G N 1.087 109.856 108.800 -0.052 0.000 2.402 20 G HA2 -0.198 3.762 3.960 0.001 0.000 0.216 20 G HA3 -0.198 3.762 3.960 0.001 0.000 0.216 20 G C 1.430 176.344 174.900 0.024 0.000 1.162 20 G CA 0.306 45.399 45.100 -0.012 0.000 0.777 20 G HN 0.139 nan 8.290 nan 0.000 0.539 21 L N 1.428 122.662 121.223 0.017 0.000 2.083 21 L HA 0.122 4.463 4.340 0.001 0.000 0.209 21 L C 3.024 179.972 176.870 0.131 0.000 1.083 21 L CA 2.000 56.876 54.840 0.060 0.000 0.752 21 L CB -0.626 41.419 42.059 -0.024 0.000 0.899 21 L HN 0.235 nan 8.230 nan 0.000 0.433 22 A N -1.016 121.868 122.820 0.108 0.000 1.972 22 A HA -0.212 4.108 4.320 0.001 0.000 0.219 22 A C 2.159 179.814 177.584 0.119 0.000 1.169 22 A CA 1.695 53.800 52.037 0.114 0.000 0.635 22 A CB -0.535 18.536 19.000 0.118 0.000 0.810 22 A HN 0.599 nan 8.150 nan 0.000 0.446 23 E N -0.370 119.892 120.200 0.102 0.000 2.072 23 E HA -0.115 4.235 4.350 0.001 0.000 0.191 23 E C 1.913 178.599 176.600 0.143 0.000 0.985 23 E CA 1.266 57.727 56.400 0.101 0.000 0.801 23 E CB -0.230 29.512 29.700 0.069 0.000 0.750 23 E HN 0.410 nan 8.360 nan 0.000 0.452 24 V N 0.689 120.701 119.914 0.164 0.000 2.490 24 V HA -0.179 3.942 4.120 0.001 0.000 0.250 24 V C 2.279 178.606 176.094 0.388 0.000 1.061 24 V CA 1.882 64.318 62.300 0.227 0.000 1.064 24 V CB -0.808 31.102 31.823 0.144 0.000 0.670 24 V HN 0.404 nan 8.190 nan 0.000 0.461 25 G N -0.541 108.482 108.800 0.372 0.000 2.421 25 G HA2 -0.151 3.809 3.960 0.001 0.000 0.217 25 G HA3 -0.151 3.809 3.960 0.001 0.000 0.217 25 G C 1.660 176.698 174.900 0.231 0.000 1.143 25 G CA 0.277 45.556 45.100 0.299 0.000 0.784 25 G HN 0.374 nan 8.290 nan 0.000 0.541 26 K N 0.529 121.038 120.400 0.182 0.000 2.057 26 K HA -0.052 4.269 4.320 0.001 0.000 0.206 26 K C 2.336 179.029 176.600 0.155 0.000 1.050 26 K CA 1.165 57.535 56.287 0.139 0.000 0.935 26 K CB -0.188 32.377 32.500 0.108 0.000 0.715 26 K HN 0.353 nan 8.250 nan 0.000 0.439 27 K N 0.307 120.829 120.400 0.204 0.000 2.057 27 K HA -0.141 4.180 4.320 0.001 0.000 0.206 27 K C 2.082 178.839 176.600 0.261 0.000 1.050 27 K CA 0.952 57.380 56.287 0.235 0.000 0.935 27 K CB -0.242 32.430 32.500 0.286 0.000 0.715 27 K HN -0.046 nan 8.250 nan 0.000 0.439 28 F N 2.287 122.271 119.950 0.056 0.000 2.095 28 F HA -0.200 4.328 4.527 0.001 0.000 0.298 28 F C 2.236 177.967 175.800 -0.116 0.000 1.104 28 F CA 2.077 59.919 58.000 -0.262 0.000 1.232 28 F CB -0.208 38.671 39.000 -0.202 0.000 0.987 28 F HN 0.208 nan 8.300 nan 0.000 0.475 29 E N 0.176 120.409 120.200 0.055 0.000 2.106 29 E HA -0.271 4.080 4.350 0.001 0.000 0.192 29 E C 2.337 178.906 176.600 -0.052 0.000 0.984 29 E CA 1.204 57.592 56.400 -0.021 0.000 0.806 29 E CB -0.214 29.518 29.700 0.052 0.000 0.750 29 E HN 0.442 nan 8.360 nan 0.000 0.458 30 K N 0.266 120.666 120.400 0.001 0.000 2.026 30 K HA -0.189 4.132 4.320 0.001 0.000 0.208 30 K C 1.446 178.035 176.600 -0.018 0.000 1.048 30 K CA 2.007 58.300 56.287 0.010 0.000 0.929 30 K CB 0.050 32.580 32.500 0.051 0.000 0.713 30 K HN 0.069 nan 8.250 nan 0.000 0.439 31 D N -0.730 119.654 120.400 -0.027 0.000 2.162 31 D HA -0.061 4.579 4.640 0.001 0.000 0.203 31 D C 1.551 177.777 176.300 -0.124 0.000 0.967 31 D CA 1.311 55.297 54.000 -0.025 0.000 0.840 31 D CB -0.031 40.831 40.800 0.103 0.000 0.972 31 D HN 0.241 nan 8.370 nan 0.000 0.482 32 T N -1.736 112.643 114.554 -0.291 0.000 3.023 32 T HA 0.320 4.670 4.350 0.001 0.000 0.249 32 T C 1.543 176.111 174.700 -0.220 0.000 1.050 32 T CA 0.689 62.579 62.100 -0.350 0.000 1.088 32 T CB 0.938 69.338 68.868 -0.779 0.000 0.946 32 T HN 0.257 nan 8.240 nan 0.000 0.480 33 G N 1.398 110.092 108.800 -0.177 0.000 2.176 33 G HA2 -0.207 3.753 3.960 0.001 0.000 0.253 33 G HA3 -0.207 3.753 3.960 0.001 0.000 0.253 33 G C -0.034 174.824 174.900 -0.070 0.000 0.979 33 G CA -0.326 44.718 45.100 -0.093 0.000 0.641 33 G HN 0.459 nan 8.290 nan 0.000 0.530 34 I N 1.620 122.128 120.570 -0.102 0.000 2.352 34 I HA 0.368 4.538 4.170 0.001 0.000 0.290 34 I C 0.730 176.888 176.117 0.067 0.000 1.036 34 I CA -0.707 60.594 61.300 0.001 0.000 1.336 34 I CB 1.462 39.507 38.000 0.075 0.000 1.407 34 I HN 0.189 nan 8.210 nan 0.000 0.497 35 K N 5.260 125.688 120.400 0.046 0.000 2.326 35 K HA 0.472 4.792 4.320 0.001 0.000 0.275 35 K C -1.152 175.467 176.600 0.032 0.000 1.018 35 K CA -0.289 56.024 56.287 0.043 0.000 0.962 35 K CB 0.706 33.219 32.500 0.021 0.000 0.953 35 K HN 0.407 nan 8.250 nan 0.000 0.475 36 V N 3.596 123.518 119.914 0.013 0.000 2.407 36 V HA 0.218 4.338 4.120 0.001 0.000 0.291 36 V C -0.703 175.363 176.094 -0.046 0.000 1.018 36 V CA -0.804 61.448 62.300 -0.081 0.000 0.842 36 V CB 1.770 33.480 31.823 -0.190 0.000 0.996 36 V HN 0.838 nan 8.190 nan 0.000 0.426 37 T N 4.594 119.122 114.554 -0.043 0.000 2.788 37 T HA 0.460 4.810 4.350 0.001 0.000 0.296 37 T C -0.181 174.533 174.700 0.024 0.000 1.009 37 T CA -0.306 61.796 62.100 0.004 0.000 0.949 37 T CB 1.308 70.187 68.868 0.019 0.000 0.946 37 T HN 0.326 nan 8.240 nan 0.000 0.453 38 V N 4.784 124.724 119.914 0.044 0.000 2.406 38 V HA 0.373 4.493 4.120 0.001 0.000 0.272 38 V C 0.254 176.395 176.094 0.077 0.000 1.043 38 V CA -0.502 61.845 62.300 0.078 0.000 0.915 38 V CB 0.995 32.873 31.823 0.091 0.000 0.988 38 V HN 0.827 nan 8.190 nan 0.000 0.466 39 E N 3.553 123.808 120.200 0.093 0.000 2.312 39 E HA 0.505 4.856 4.350 0.001 0.000 0.267 39 E C -0.909 175.601 176.600 -0.150 0.000 0.894 39 E CA -0.732 55.624 56.400 -0.074 0.000 0.773 39 E CB 2.054 31.711 29.700 -0.072 0.000 1.241 39 E HN 0.886 nan 8.360 nan 0.000 0.432 40 H N 0.034 118.878 119.070 -0.377 0.000 2.379 40 H HA 0.326 4.882 4.556 0.001 0.000 0.229 40 H C -2.670 172.419 175.328 -0.398 0.000 1.423 40 H CA -2.213 53.599 56.048 -0.392 0.000 1.375 40 H CB -0.316 29.123 29.762 -0.538 0.000 1.592 40 H HN 0.235 nan 8.280 nan 0.000 0.507 41 P HA 0.047 nan 4.420 nan 0.000 0.272 41 P C 0.138 177.230 177.300 -0.347 0.000 1.223 41 P CA -0.129 62.633 63.100 -0.564 0.000 0.784 41 P CB 1.411 32.574 31.700 -0.895 0.000 0.923 42 D N 1.674 121.927 120.400 -0.246 0.000 2.372 42 D HA 0.017 4.657 4.640 0.001 0.000 0.243 42 D C 0.338 176.548 176.300 -0.152 0.000 1.121 42 D CA 0.198 54.113 54.000 -0.142 0.000 0.898 42 D CB 0.239 40.982 40.800 -0.095 0.000 1.202 42 D HN 0.224 nan 8.370 nan 0.000 0.428 43 K N 2.136 122.473 120.400 -0.105 0.000 3.077 43 K HA -0.188 4.132 4.320 0.001 0.000 0.264 43 K C 1.122 177.616 176.600 -0.176 0.000 1.008 43 K CA 0.692 56.901 56.287 -0.129 0.000 0.740 43 K CB -2.035 30.404 32.500 -0.102 0.000 1.273 43 K HN 0.521 nan 8.250 nan 0.000 0.477 44 L N -0.525 120.581 121.223 -0.195 0.000 2.201 44 L HA -0.076 4.264 4.340 0.001 0.000 0.212 44 L C 2.268 179.071 176.870 -0.111 0.000 1.105 44 L CA 1.921 56.672 54.840 -0.148 0.000 0.775 44 L CB -0.366 41.637 42.059 -0.093 0.000 0.913 44 L HN 0.273 nan 8.230 nan 0.000 0.440 45 E N 0.988 120.890 120.200 -0.497 0.000 2.204 45 E HA -0.236 4.115 4.350 0.001 0.000 0.194 45 E C 1.529 177.994 176.600 -0.225 0.000 0.989 45 E CA 1.647 57.661 56.400 -0.642 0.000 0.824 45 E CB -0.376 28.376 29.700 -1.580 0.000 0.756 45 E HN 0.821 nan 8.360 nan 0.000 0.477 46 E N 0.715 120.805 120.200 -0.184 0.000 2.216 46 E HA 0.038 4.388 4.350 0.001 0.000 0.192 46 E C 2.038 178.625 176.600 -0.021 0.000 0.973 46 E CA 0.289 56.642 56.400 -0.079 0.000 0.851 46 E CB 0.155 29.798 29.700 -0.094 0.000 0.804 46 E HN 0.209 nan 8.360 nan 0.000 0.477 47 K N 0.502 120.910 120.400 0.012 0.000 2.103 47 K HA -0.080 4.240 4.320 0.001 0.000 0.204 47 K C 1.917 178.614 176.600 0.162 0.000 1.052 47 K CA 0.745 57.086 56.287 0.089 0.000 0.945 47 K CB -0.157 32.398 32.500 0.091 0.000 0.722 47 K HN 0.017 nan 8.250 nan 0.000 0.443 48 F N 3.512 123.508 119.950 0.077 0.000 2.043 48 F HA -0.184 4.344 4.527 0.001 0.000 0.297 48 F C -1.139 174.488 175.800 -0.288 0.000 1.121 48 F CA 1.392 59.303 58.000 -0.147 0.000 1.199 48 F CB -1.043 37.727 39.000 -0.383 0.000 0.968 48 F HN -0.021 nan 8.300 nan 0.000 0.478 49 P HA -0.198 nan 4.420 nan 0.000 0.219 49 P C 1.163 178.277 177.300 -0.309 0.000 1.146 49 P CA 1.837 64.692 63.100 -0.409 0.000 0.808 49 P CB -0.264 31.387 31.700 -0.082 0.000 0.779 50 Q N -0.061 119.620 119.800 -0.198 0.000 2.046 50 Q HA -0.084 4.256 4.340 0.001 0.000 0.200 50 Q C 2.331 178.226 176.000 -0.175 0.000 0.975 50 Q CA 1.926 57.644 55.803 -0.141 0.000 0.836 50 Q CB -0.657 28.039 28.738 -0.070 0.000 0.896 50 Q HN 0.243 nan 8.270 nan 0.000 0.428 51 V N -2.354 117.437 119.914 -0.205 0.000 2.488 51 V HA 0.055 4.175 4.120 0.001 0.000 0.246 51 V C 2.161 178.052 176.094 -0.339 0.000 1.046 51 V CA 1.277 63.451 62.300 -0.210 0.000 1.053 51 V CB -1.015 30.732 31.823 -0.126 0.000 0.679 51 V HN 0.243 nan 8.190 nan 0.000 0.458 52 A N 1.005 123.471 122.820 -0.590 0.000 1.933 52 A HA 0.057 4.377 4.320 0.001 0.000 0.218 52 A C 2.451 179.796 177.584 -0.399 0.000 1.175 52 A CA 2.262 53.897 52.037 -0.672 0.000 0.628 52 A CB -1.022 17.192 19.000 -1.309 0.000 0.814 52 A HN 0.955 nan 8.150 nan 0.000 0.444 53 A N -0.326 122.294 122.820 -0.333 0.000 2.015 53 A HA -0.052 4.268 4.320 0.001 0.000 0.219 53 A C 2.253 179.745 177.584 -0.154 0.000 1.163 53 A CA 2.154 54.067 52.037 -0.207 0.000 0.646 53 A CB -1.158 17.741 19.000 -0.167 0.000 0.806 53 A HN 0.805 nan 8.150 nan 0.000 0.448 54 T N -4.491 109.969 114.554 -0.157 0.000 3.148 54 T HA 0.380 4.731 4.350 0.001 0.000 0.253 54 T C 1.343 175.974 174.700 -0.115 0.000 1.134 54 T CA 1.109 63.139 62.100 -0.117 0.000 1.051 54 T CB -0.051 68.756 68.868 -0.102 0.000 0.959 54 T HN 1.661 nan 8.240 nan 0.000 0.525 55 G N 0.714 109.428 108.800 -0.143 0.000 2.175 55 G HA2 -0.182 3.779 3.960 0.001 0.000 0.244 55 G HA3 -0.182 3.779 3.960 0.001 0.000 0.244 55 G C -0.172 174.646 174.900 -0.136 0.000 0.982 55 G CA 0.153 45.178 45.100 -0.126 0.000 0.641 55 G HN 0.584 nan 8.290 nan 0.000 0.527 56 D N 0.025 120.325 120.400 -0.166 0.000 2.509 56 D HA 0.636 5.277 4.640 0.001 0.000 0.275 56 D C 1.151 177.305 176.300 -0.242 0.000 1.189 56 D CA 0.855 54.758 54.000 -0.161 0.000 1.098 56 D CB 0.235 40.962 40.800 -0.121 0.000 1.177 56 D HN 1.421 nan 8.370 nan 0.000 0.599 57 G N 0.328 108.975 108.800 -0.254 0.000 2.685 57 G HA2 -0.076 3.885 3.960 0.001 0.000 0.387 57 G HA3 -0.076 3.885 3.960 0.001 0.000 0.387 57 G C -2.748 171.888 174.900 -0.440 0.000 1.324 57 G CA -0.674 44.163 45.100 -0.439 0.000 0.878 57 G HN 0.418 nan 8.290 nan 0.000 0.527 58 P HA 0.334 nan 4.420 nan 0.000 0.276 58 P C 0.096 177.246 177.300 -0.251 0.000 1.261 58 P CA -0.204 62.573 63.100 -0.539 0.000 0.800 58 P CB 0.890 32.016 31.700 -0.957 0.000 1.066 59 D N -0.178 120.124 120.400 -0.163 0.000 2.123 59 D HA 0.038 4.678 4.640 0.001 0.000 0.200 59 D C 0.718 176.982 176.300 -0.060 0.000 0.976 59 D CA 1.413 55.359 54.000 -0.089 0.000 0.831 59 D CB 0.275 41.026 40.800 -0.082 0.000 0.974 59 D HN 0.346 nan 8.370 nan 0.000 0.469 60 I N 0.873 121.403 120.570 -0.066 0.000 2.545 60 I HA 0.361 4.531 4.170 0.001 0.000 0.292 60 I C -0.545 175.559 176.117 -0.021 0.000 1.040 60 I CA -0.825 60.462 61.300 -0.023 0.000 1.068 60 I CB 3.209 41.244 38.000 0.058 0.000 1.251 60 I HN -0.195 nan 8.210 nan 0.000 0.424 61 I N 5.034 125.545 120.570 -0.099 0.000 2.436 61 I HA 0.470 4.640 4.170 0.001 0.000 0.289 61 I C -1.512 174.691 176.117 0.142 0.000 1.010 61 I CA -0.442 60.823 61.300 -0.058 0.000 1.098 61 I CB 1.302 38.881 38.000 -0.701 0.000 1.266 61 I HN 0.338 nan 8.210 nan 0.000 0.434 62 F N 7.955 128.063 119.950 0.264 0.000 2.420 62 F HA 0.528 5.056 4.527 0.001 0.000 0.342 62 F C -0.299 175.797 175.800 0.492 0.000 1.113 62 F CA -0.028 58.176 58.000 0.340 0.000 1.059 62 F CB 1.183 40.315 39.000 0.220 0.000 1.128 62 F HN 0.453 nan 8.300 nan 0.000 0.475 63 W N 1.771 123.346 121.300 0.458 0.000 2.989 63 W HA 0.618 5.278 4.660 0.001 0.000 0.344 63 W C -1.231 175.494 176.519 0.343 0.000 1.233 63 W CA -1.297 56.240 57.345 0.320 0.000 1.187 63 W CB 1.489 31.066 29.460 0.195 0.000 1.443 63 W HN 0.630 nan 8.180 nan 0.000 0.573 64 A N 2.100 124.825 122.820 -0.158 0.000 2.507 64 A HA -0.006 4.314 4.320 0.001 0.000 0.235 64 A C 1.361 179.164 177.584 0.366 0.000 1.070 64 A CA 0.962 53.023 52.037 0.040 0.000 0.768 64 A CB -0.169 18.722 19.000 -0.182 0.000 1.011 64 A HN 0.769 nan 8.150 nan 0.000 0.502 65 H N 1.089 120.270 119.070 0.185 0.000 2.521 65 H HA -0.133 4.423 4.556 0.001 0.000 0.286 65 H C 0.963 176.456 175.328 0.275 0.000 1.034 65 H CA 1.376 57.525 56.048 0.168 0.000 1.278 65 H CB -0.357 29.403 29.762 -0.004 0.000 1.386 65 H HN 0.823 nan 8.280 nan 0.000 0.567 66 D N 1.247 121.445 120.400 -0.337 0.000 2.264 66 D HA -0.157 4.483 4.640 0.001 0.000 0.208 66 D C 1.794 178.036 176.300 -0.097 0.000 0.966 66 D CA 0.351 54.189 54.000 -0.269 0.000 0.864 66 D CB -0.250 40.449 40.800 -0.168 0.000 0.933 66 D HN 0.251 nan 8.370 nan 0.000 0.499 67 R N -0.617 119.849 120.500 -0.056 0.000 2.240 67 R HA 0.079 4.420 4.340 0.001 0.000 0.203 67 R C 1.841 177.578 176.300 -0.938 0.000 1.011 67 R CA 0.070 55.862 56.100 -0.513 0.000 1.007 67 R CB -0.467 29.421 30.300 -0.687 0.000 0.911 67 R HN 0.269 nan 8.270 nan 0.000 0.468 68 F N -0.007 119.669 119.950 -0.456 0.000 2.367 68 F HA 0.064 4.591 4.527 0.001 0.000 0.298 68 F C 2.443 178.028 175.800 -0.357 0.000 1.094 68 F CA 1.032 58.838 58.000 -0.323 0.000 1.409 68 F CB -0.627 38.344 39.000 -0.047 0.000 1.064 68 F HN 0.093 nan 8.300 nan 0.000 0.528 69 G N 0.010 108.624 108.800 -0.310 0.000 2.418 69 G HA2 -0.188 3.773 3.960 0.001 0.000 0.217 69 G HA3 -0.188 3.773 3.960 0.001 0.000 0.217 69 G C 2.074 176.538 174.900 -0.727 0.000 1.158 69 G CA 0.879 45.482 45.100 -0.828 0.000 0.771 69 G HN 0.477 nan 8.290 nan 0.000 0.545 70 G N 0.057 108.583 108.800 -0.456 0.000 2.446 70 G HA2 -0.213 3.747 3.960 0.001 0.000 0.217 70 G HA3 -0.213 3.747 3.960 0.001 0.000 0.217 70 G C 1.633 176.467 174.900 -0.110 0.000 1.168 70 G CA 1.130 46.062 45.100 -0.281 0.000 0.771 70 G HN 0.377 nan 8.290 nan 0.000 0.551 71 Y N 1.406 121.620 120.300 -0.144 0.000 2.128 71 Y HA 0.001 4.551 4.550 0.001 0.000 0.284 71 Y C 3.166 179.045 175.900 -0.034 0.000 1.154 71 Y CA 0.180 58.248 58.100 -0.052 0.000 1.149 71 Y CB -1.324 37.122 38.460 -0.023 0.000 0.976 71 Y HN 0.275 nan 8.280 nan 0.000 0.505 72 A N 0.076 122.940 122.820 0.073 0.000 1.865 72 A HA -0.312 4.009 4.320 0.001 0.000 0.217 72 A C 2.312 179.928 177.584 0.055 0.000 1.191 72 A CA 2.045 54.114 52.037 0.053 0.000 0.623 72 A CB -1.082 17.910 19.000 -0.013 0.000 0.826 72 A HN 0.546 nan 8.150 nan 0.000 0.444 73 Q N -0.390 119.390 119.800 -0.034 0.000 2.181 73 Q HA -0.144 4.197 4.340 0.001 0.000 0.205 73 Q C 1.623 177.656 176.000 0.055 0.000 0.980 73 Q CA 1.765 57.613 55.803 0.075 0.000 0.862 73 Q CB -0.172 28.595 28.738 0.048 0.000 0.905 73 Q HN 0.532 nan 8.270 nan 0.000 0.429 74 S N -0.837 114.886 115.700 0.037 0.000 2.603 74 S HA 0.164 4.635 4.470 0.001 0.000 0.220 74 S C 0.771 175.382 174.600 0.017 0.000 0.967 74 S CA 0.547 58.761 58.200 0.024 0.000 0.920 74 S CB 0.327 63.539 63.200 0.021 0.000 0.773 74 S HN 0.726 nan 8.310 nan 0.000 0.529 75 G N 1.349 110.174 108.800 0.041 0.000 2.198 75 G HA2 -0.227 3.733 3.960 0.001 0.000 0.257 75 G HA3 -0.227 3.733 3.960 0.001 0.000 0.257 75 G C 0.433 175.342 174.900 0.016 0.000 1.042 75 G CA 0.337 45.457 45.100 0.033 0.000 0.791 75 G HN 0.532 nan 8.290 nan 0.000 0.502 76 L N -1.330 119.917 121.223 0.040 0.000 2.590 76 L HA 0.433 4.774 4.340 0.001 0.000 0.227 76 L C 1.171 178.112 176.870 0.118 0.000 1.099 76 L CA 0.195 55.041 54.840 0.009 0.000 0.872 76 L CB 0.130 42.161 42.059 -0.048 0.000 1.088 76 L HN 0.198 nan 8.230 nan 0.000 0.479 77 L N 0.156 121.466 121.223 0.146 0.000 2.346 77 L HA 0.646 4.986 4.340 0.001 0.000 0.274 77 L C 0.102 177.039 176.870 0.112 0.000 1.007 77 L CA -0.615 54.325 54.840 0.168 0.000 0.818 77 L CB 1.974 44.166 42.059 0.222 0.000 1.284 77 L HN -0.097 nan 8.230 nan 0.000 0.424 78 A N 1.988 124.866 122.820 0.098 0.000 2.354 78 A HA 0.260 4.580 4.320 0.001 0.000 0.269 78 A C -0.056 177.568 177.584 0.067 0.000 1.109 78 A CA -0.339 51.741 52.037 0.071 0.000 0.800 78 A CB 0.482 19.519 19.000 0.062 0.000 1.045 78 A HN 0.783 nan 8.150 nan 0.000 0.489 79 E N 1.629 121.859 120.200 0.050 0.000 2.376 79 E HA 0.285 4.636 4.350 0.001 0.000 0.266 79 E C -0.206 176.399 176.600 0.008 0.000 1.009 79 E CA -0.220 56.199 56.400 0.031 0.000 0.902 79 E CB 0.253 29.967 29.700 0.024 0.000 0.972 79 E HN 0.569 nan 8.360 nan 0.000 0.439 80 I N 1.670 122.217 120.570 -0.038 0.000 2.440 80 I HA 0.358 4.528 4.170 0.001 0.000 0.294 80 I C -0.020 176.041 176.117 -0.094 0.000 0.995 80 I CA -0.527 60.716 61.300 -0.095 0.000 1.306 80 I CB 1.680 39.475 38.000 -0.341 0.000 1.407 80 I HN 0.385 nan 8.210 nan 0.000 0.501 81 T N 2.176 116.701 114.554 -0.049 0.000 3.504 81 T HA 0.493 4.843 4.350 0.001 0.000 0.286 81 T C -2.533 172.157 174.700 -0.017 0.000 1.530 81 T CA -1.331 60.744 62.100 -0.041 0.000 1.652 81 T CB 0.009 68.870 68.868 -0.012 0.000 0.895 81 T HN 0.528 nan 8.240 nan 0.000 0.674 82 P HA 0.368 nan 4.420 nan 0.000 0.278 82 P C -0.152 177.157 177.300 0.016 0.000 1.238 82 P CA -0.251 62.877 63.100 0.047 0.000 0.794 82 P CB 0.739 32.567 31.700 0.212 0.000 0.955 83 D N 0.803 121.243 120.400 0.067 0.000 2.369 83 D HA 0.032 4.673 4.640 0.001 0.000 0.241 83 D C 1.159 177.487 176.300 0.046 0.000 1.271 83 D CA -0.334 53.694 54.000 0.046 0.000 0.942 83 D CB 0.523 41.360 40.800 0.061 0.000 1.129 83 D HN 0.081 nan 8.370 nan 0.000 0.476 84 K N 0.245 120.652 120.400 0.011 0.000 2.057 84 K HA -0.114 4.206 4.320 0.001 0.000 0.207 84 K C 1.940 178.561 176.600 0.034 0.000 1.049 84 K CA 1.763 58.045 56.287 -0.009 0.000 0.931 84 K CB -0.842 31.649 32.500 -0.014 0.000 0.714 84 K HN 0.504 nan 8.250 nan 0.000 0.440 85 A N -0.158 122.704 122.820 0.070 0.000 1.883 85 A HA -0.162 4.158 4.320 0.001 0.000 0.217 85 A C 2.215 179.878 177.584 0.132 0.000 1.186 85 A CA 1.713 53.802 52.037 0.086 0.000 0.624 85 A CB -0.922 18.133 19.000 0.093 0.000 0.822 85 A HN 0.474 nan 8.150 nan 0.000 0.444 86 F N 0.405 120.395 119.950 0.067 0.000 2.206 86 F HA -0.113 4.414 4.527 0.001 0.000 0.298 86 F C 2.486 178.419 175.800 0.221 0.000 1.090 86 F CA 1.928 60.011 58.000 0.138 0.000 1.323 86 F CB -0.278 38.826 39.000 0.174 0.000 1.028 86 F HN 0.293 nan 8.300 nan 0.000 0.492 87 Q N -0.169 119.743 119.800 0.187 0.000 2.226 87 Q HA -0.197 4.143 4.340 0.001 0.000 0.204 87 Q C 1.587 177.670 176.000 0.138 0.000 0.975 87 Q CA 1.466 57.311 55.803 0.070 0.000 0.866 87 Q CB -0.212 28.311 28.738 -0.359 0.000 0.915 87 Q HN 0.387 nan 8.270 nan 0.000 0.440 88 D N 0.644 121.066 120.400 0.037 0.000 2.178 88 D HA -0.113 4.527 4.640 0.001 0.000 0.202 88 D C 1.395 177.671 176.300 -0.040 0.000 0.974 88 D CA 1.056 55.063 54.000 0.012 0.000 0.841 88 D CB 0.037 40.836 40.800 -0.002 0.000 0.953 88 D HN 0.178 nan 8.370 nan 0.000 0.478 89 K N -0.287 120.048 120.400 -0.109 0.000 2.211 89 K HA 0.003 4.323 4.320 0.001 0.000 0.203 89 K C 0.684 177.133 176.600 -0.251 0.000 1.050 89 K CA 0.529 56.691 56.287 -0.208 0.000 0.945 89 K CB 0.223 32.525 32.500 -0.329 0.000 0.732 89 K HN 0.162 nan 8.250 nan 0.000 0.451 90 L N 0.189 121.319 121.223 -0.154 0.000 2.334 90 L HA 0.323 4.663 4.340 0.001 0.000 0.270 90 L C -0.237 176.582 176.870 -0.085 0.000 1.018 90 L CA -1.383 53.335 54.840 -0.203 0.000 0.811 90 L CB 0.536 42.383 42.059 -0.354 0.000 1.271 90 L HN -0.111 nan 8.230 nan 0.000 0.443 91 Y N 1.377 121.669 120.300 -0.014 0.000 2.511 91 Y HA 0.051 4.601 4.550 0.001 0.000 0.332 91 Y C -1.390 174.607 175.900 0.161 0.000 1.177 91 Y CA -1.159 56.987 58.100 0.076 0.000 1.422 91 Y CB 0.075 38.578 38.460 0.071 0.000 1.271 91 Y HN 0.428 nan 8.280 nan 0.000 0.550 92 P HA -0.247 nan 4.420 nan 0.000 0.216 92 P C 1.619 179.106 177.300 0.312 0.000 1.150 92 P CA 1.451 64.772 63.100 0.368 0.000 0.843 92 P CB -0.061 31.796 31.700 0.262 0.000 0.787 93 F N 0.885 120.922 119.950 0.145 0.000 2.171 93 F HA -0.207 4.320 4.527 0.001 0.000 0.300 93 F C 2.092 177.903 175.800 0.018 0.000 1.090 93 F CA 2.101 60.138 58.000 0.063 0.000 1.293 93 F CB -0.921 38.086 39.000 0.012 0.000 1.013 93 F HN -0.034 nan 8.300 nan 0.000 0.486 94 T N -2.966 111.630 114.554 0.070 0.000 2.857 94 T HA -0.224 4.127 4.350 0.001 0.000 0.266 94 T C 1.827 176.390 174.700 -0.228 0.000 1.048 94 T CA 1.230 63.240 62.100 -0.151 0.000 1.139 94 T CB -1.249 67.539 68.868 -0.133 0.000 0.874 94 T HN 0.543 nan 8.240 nan 0.000 0.455 95 W N 2.028 123.307 121.300 -0.035 0.000 2.363 95 W HA 0.018 4.678 4.660 0.001 0.000 0.296 95 W C 2.190 178.652 176.519 -0.096 0.000 1.212 95 W CA 0.365 57.679 57.345 -0.050 0.000 1.260 95 W CB -0.191 29.264 29.460 -0.010 0.000 1.131 95 W HN 0.218 nan 8.180 nan 0.000 0.530 96 D N 0.190 120.645 120.400 0.092 0.000 2.133 96 D HA -0.207 4.433 4.640 0.001 0.000 0.195 96 D C 2.193 178.422 176.300 -0.117 0.000 0.997 96 D CA 1.930 55.911 54.000 -0.032 0.000 0.840 96 D CB -0.915 39.813 40.800 -0.120 0.000 0.947 96 D HN 0.132 nan 8.370 nan 0.000 0.452 97 A N 0.483 123.124 122.820 -0.299 0.000 1.972 97 A HA -0.106 4.214 4.320 0.001 0.000 0.219 97 A C 1.981 179.495 177.584 -0.116 0.000 1.169 97 A CA 1.514 53.316 52.037 -0.393 0.000 0.635 97 A CB -0.340 18.204 19.000 -0.759 0.000 0.810 97 A HN 0.245 nan 8.150 nan 0.000 0.446 98 V N -2.837 117.043 119.914 -0.058 0.000 3.170 98 V HA 0.431 4.551 4.120 0.001 0.000 0.354 98 V C 0.306 176.457 176.094 0.095 0.000 1.350 98 V CA -0.323 61.978 62.300 0.001 0.000 1.244 98 V CB -0.990 30.792 31.823 -0.068 0.000 1.222 98 V HN 0.391 nan 8.190 nan 0.000 0.478 99 R N 0.758 121.330 120.500 0.120 0.000 2.387 99 R HA 0.566 4.906 4.340 0.001 0.000 0.314 99 R C -1.931 174.496 176.300 0.213 0.000 0.958 99 R CA -0.753 55.430 56.100 0.139 0.000 0.846 99 R CB 1.626 31.983 30.300 0.095 0.000 1.147 99 R HN 0.482 nan 8.270 nan 0.000 0.447 100 Y N 4.781 125.119 120.300 0.063 0.000 2.354 100 Y HA 0.217 4.768 4.550 0.001 0.000 0.330 100 Y C -0.745 175.186 175.900 0.051 0.000 1.011 100 Y CA -0.935 57.205 58.100 0.067 0.000 1.099 100 Y CB 1.337 39.845 38.460 0.079 0.000 1.179 100 Y HN 0.820 nan 8.280 nan 0.000 0.442 101 N N 4.167 122.575 118.700 -0.487 0.000 2.714 101 N HA -0.195 4.546 4.740 0.001 0.000 0.252 101 N C 0.883 176.323 175.510 -0.116 0.000 1.014 101 N CA 1.797 54.645 53.050 -0.337 0.000 0.735 101 N CB -1.147 37.103 38.487 -0.395 0.000 0.924 101 N HN 1.393 nan 8.380 nan 0.000 0.540 102 G N -1.622 107.138 108.800 -0.066 0.000 2.155 102 G HA2 -0.363 3.597 3.960 0.001 0.000 0.257 102 G HA3 -0.363 3.597 3.960 0.001 0.000 0.257 102 G C 0.011 174.908 174.900 -0.006 0.000 0.983 102 G CA 0.965 46.049 45.100 -0.028 0.000 0.676 102 G HN 0.575 nan 8.290 nan 0.000 0.528 103 K N -0.534 119.880 120.400 0.023 0.000 2.318 103 K HA 0.652 4.973 4.320 0.001 0.000 0.249 103 K C 0.141 176.778 176.600 0.061 0.000 0.942 103 K CA -0.985 55.325 56.287 0.038 0.000 0.808 103 K CB 1.853 34.392 32.500 0.063 0.000 1.189 103 K HN 0.087 nan 8.250 nan 0.000 0.428 104 L N 4.696 125.934 121.223 0.024 0.000 2.313 104 L HA 0.268 4.609 4.340 0.001 0.000 0.282 104 L C 1.124 178.015 176.870 0.034 0.000 1.092 104 L CA 0.023 54.883 54.840 0.034 0.000 0.831 104 L CB 0.282 42.323 42.059 -0.029 0.000 1.159 104 L HN 0.713 nan 8.230 nan 0.000 0.442 105 I N 0.090 120.697 120.570 0.062 0.000 4.154 105 I HA 0.611 4.782 4.170 0.001 0.000 0.334 105 I C 0.330 176.463 176.117 0.027 0.000 1.371 105 I CA -0.165 61.184 61.300 0.082 0.000 1.110 105 I CB 0.582 38.682 38.000 0.167 0.000 1.085 105 I HN 0.513 nan 8.210 nan 0.000 0.398 106 A N 0.253 123.025 122.820 -0.082 0.000 2.597 106 A HA 0.640 4.960 4.320 0.001 0.000 0.292 106 A C -2.026 175.444 177.584 -0.190 0.000 1.057 106 A CA -0.426 51.495 52.037 -0.194 0.000 0.674 106 A CB 0.578 19.261 19.000 -0.529 0.000 1.278 106 A HN 0.175 nan 8.150 nan 0.000 0.416 107 Y N 1.670 121.915 120.300 -0.091 0.000 2.336 107 Y HA 0.432 4.983 4.550 0.001 0.000 0.335 107 Y C -1.892 173.860 175.900 -0.246 0.000 1.046 107 Y CA -1.611 56.441 58.100 -0.079 0.000 1.198 107 Y CB 0.995 39.450 38.460 -0.008 0.000 1.182 107 Y HN 0.412 nan 8.280 nan 0.000 0.502 108 P HA 0.115 nan 4.420 nan 0.000 0.280 108 P C -0.066 177.153 177.300 -0.135 0.000 1.244 108 P CA 0.038 62.982 63.100 -0.260 0.000 0.784 108 P CB 1.706 33.142 31.700 -0.439 0.000 0.913 109 I N 1.061 121.611 120.570 -0.034 0.000 3.345 109 I HA 0.352 4.522 4.170 0.001 0.000 0.258 109 I C 1.040 177.199 176.117 0.069 0.000 1.134 109 I CA 0.268 61.602 61.300 0.057 0.000 1.457 109 I CB -0.959 37.140 38.000 0.165 0.000 1.425 109 I HN 0.348 nan 8.210 nan 0.000 0.461 110 A N 0.554 123.421 122.820 0.079 0.000 2.594 110 A HA 0.647 4.968 4.320 0.001 0.000 0.295 110 A C -1.178 176.470 177.584 0.107 0.000 1.071 110 A CA -0.383 51.714 52.037 0.100 0.000 0.685 110 A CB 1.498 20.567 19.000 0.115 0.000 1.285 110 A HN -0.141 nan 8.150 nan 0.000 0.405 111 V N 1.919 121.901 119.914 0.115 0.000 2.432 111 V HA 0.364 4.484 4.120 0.001 0.000 0.275 111 V C 0.034 176.210 176.094 0.137 0.000 1.043 111 V CA -0.066 62.317 62.300 0.140 0.000 0.925 111 V CB 0.855 32.750 31.823 0.119 0.000 0.985 111 V HN 0.879 nan 8.190 nan 0.000 0.466 112 E N 3.156 123.469 120.200 0.189 0.000 2.195 112 E HA 0.842 5.192 4.350 0.001 0.000 0.271 112 E C -0.534 176.206 176.600 0.232 0.000 0.923 112 E CA -0.729 55.801 56.400 0.218 0.000 0.790 112 E CB 2.363 32.267 29.700 0.339 0.000 1.155 112 E HN 0.822 nan 8.360 nan 0.000 0.402 113 A N 2.550 125.465 122.820 0.158 0.000 2.566 113 A HA 0.446 4.767 4.320 0.001 0.000 0.297 113 A C -1.140 176.463 177.584 0.032 0.000 1.059 113 A CA -0.752 51.366 52.037 0.134 0.000 0.691 113 A CB 0.796 19.859 19.000 0.104 0.000 1.282 113 A HN 0.539 nan 8.150 nan 0.000 0.401 114 L N 1.401 122.615 121.223 -0.014 0.000 2.439 114 L HA 0.487 4.827 4.340 0.001 0.000 0.269 114 L C 0.627 177.478 176.870 -0.031 0.000 1.179 114 L CA 0.150 54.946 54.840 -0.074 0.000 0.828 114 L CB 1.217 43.187 42.059 -0.149 0.000 1.106 114 L HN 0.726 nan 8.230 nan 0.000 0.467 115 S N 1.433 117.123 115.700 -0.018 0.000 2.632 115 S HA 0.509 4.980 4.470 0.001 0.000 0.289 115 S C -1.022 173.567 174.600 -0.019 0.000 1.115 115 S CA -0.655 57.552 58.200 0.011 0.000 0.889 115 S CB 1.980 65.231 63.200 0.085 0.000 1.116 115 S HN 0.363 nan 8.310 nan 0.000 0.486 116 L N 2.554 123.757 121.223 -0.033 0.000 2.361 116 L HA 0.485 4.825 4.340 0.001 0.000 0.278 116 L C -1.153 175.736 176.870 0.032 0.000 1.113 116 L CA 0.495 55.301 54.840 -0.057 0.000 0.849 116 L CB -0.361 41.639 42.059 -0.098 0.000 1.155 116 L HN 0.499 nan 8.230 nan 0.000 0.452 117 I N 6.559 127.104 120.570 -0.040 0.000 2.377 117 I HA 0.367 4.538 4.170 0.001 0.000 0.293 117 I C -1.009 175.115 176.117 0.013 0.000 0.987 117 I CA -0.788 60.474 61.300 -0.065 0.000 1.185 117 I CB 1.209 39.007 38.000 -0.336 0.000 1.341 117 I HN 0.629 nan 8.210 nan 0.000 0.455 118 Y N 4.206 124.591 120.300 0.142 0.000 2.492 118 Y HA 0.486 5.037 4.550 0.001 0.000 0.346 118 Y C -0.798 175.368 175.900 0.443 0.000 0.997 118 Y CA -1.409 56.878 58.100 0.311 0.000 1.025 118 Y CB 0.911 39.441 38.460 0.118 0.000 1.263 118 Y HN 0.456 nan 8.280 nan 0.000 0.454 119 N N 3.534 122.473 118.700 0.398 0.000 2.405 119 N HA 0.091 4.831 4.740 0.001 0.000 0.260 119 N C 0.286 175.860 175.510 0.107 0.000 1.152 119 N CA 0.154 53.242 53.050 0.064 0.000 0.948 119 N CB 1.008 39.417 38.487 -0.131 0.000 1.111 119 N HN 0.932 nan 8.380 nan 0.000 0.485 120 K N 2.063 122.448 120.400 -0.025 0.000 2.148 120 K HA -0.094 4.226 4.320 0.001 0.000 0.204 120 K C 0.529 177.165 176.600 0.059 0.000 1.050 120 K CA 1.062 57.384 56.287 0.059 0.000 0.942 120 K CB 0.328 32.796 32.500 -0.053 0.000 0.724 120 K HN 0.515 nan 8.250 nan 0.000 0.446 121 D N 0.981 121.386 120.400 0.008 0.000 2.103 121 D HA -0.096 4.545 4.640 0.001 0.000 0.199 121 D C 1.923 178.231 176.300 0.012 0.000 0.978 121 D CA 0.991 54.991 54.000 -0.000 0.000 0.829 121 D CB -0.142 40.643 40.800 -0.026 0.000 0.981 121 D HN 0.103 nan 8.370 nan 0.000 0.464 122 L N -0.499 120.731 121.223 0.013 0.000 2.217 122 L HA -0.013 4.328 4.340 0.001 0.000 0.211 122 L C 0.581 177.482 176.870 0.051 0.000 1.107 122 L CA 0.420 55.273 54.840 0.021 0.000 0.783 122 L CB 0.221 42.286 42.059 0.009 0.000 0.919 122 L HN -0.003 nan 8.230 nan 0.000 0.442 123 L N -0.551 120.730 121.223 0.097 0.000 2.534 123 L HA 0.346 4.686 4.340 0.001 0.000 0.259 123 L C -2.268 174.698 176.870 0.159 0.000 1.108 123 L CA -1.204 53.700 54.840 0.107 0.000 0.905 123 L CB 1.105 43.237 42.059 0.122 0.000 1.138 123 L HN -0.257 nan 8.230 nan 0.000 0.475 124 P HA 0.027 nan 4.420 nan 0.000 0.219 124 P C -0.351 176.982 177.300 0.054 0.000 1.150 124 P CA 1.000 64.167 63.100 0.112 0.000 0.814 124 P CB 0.194 31.924 31.700 0.050 0.000 0.787 125 N N 0.444 119.124 118.700 -0.032 0.000 2.558 125 N HA 0.221 4.961 4.740 0.001 0.000 0.242 125 N C -2.566 172.819 175.510 -0.208 0.000 0.979 125 N CA -1.764 51.214 53.050 -0.119 0.000 0.931 125 N CB 0.599 39.040 38.487 -0.077 0.000 1.122 125 N HN 0.104 nan 8.380 nan 0.000 0.508 126 P HA 0.224 nan 4.420 nan 0.000 0.275 126 P C -2.681 174.448 177.300 -0.284 0.000 1.228 126 P CA -1.218 61.611 63.100 -0.452 0.000 0.786 126 P CB 0.289 31.445 31.700 -0.905 0.000 0.927 127 P HA 0.141 nan 4.420 nan 0.000 0.271 127 P C 0.430 177.621 177.300 -0.181 0.000 1.216 127 P CA -0.118 62.885 63.100 -0.163 0.000 0.771 127 P CB 0.889 32.508 31.700 -0.136 0.000 0.864 128 K N 0.521 120.841 120.400 -0.134 0.000 2.365 128 K HA 0.069 4.389 4.320 0.001 0.000 0.197 128 K C 1.028 177.569 176.600 -0.099 0.000 1.042 128 K CA 0.834 57.050 56.287 -0.118 0.000 0.987 128 K CB -0.104 32.344 32.500 -0.086 0.000 0.779 128 K HN 0.648 nan 8.250 nan 0.000 0.484 129 T N -4.198 110.306 114.554 -0.083 0.000 2.893 129 T HA 0.284 4.634 4.350 0.001 0.000 0.291 129 T C 0.510 175.206 174.700 -0.005 0.000 1.028 129 T CA -0.896 61.191 62.100 -0.021 0.000 0.995 129 T CB 1.115 69.989 68.868 0.010 0.000 1.051 129 T HN 0.112 nan 8.240 nan 0.000 0.470 130 W N 0.994 122.275 121.300 -0.031 0.000 2.363 130 W HA 0.046 4.706 4.660 0.001 0.000 0.296 130 W C 2.122 178.711 176.519 0.117 0.000 1.212 130 W CA 1.066 58.404 57.345 -0.012 0.000 1.260 130 W CB -0.154 29.172 29.460 -0.222 0.000 1.131 130 W HN 0.824 nan 8.180 nan 0.000 0.530 131 E N 0.086 120.448 120.200 0.270 0.000 2.204 131 E HA -0.203 4.147 4.350 0.001 0.000 0.195 131 E C 1.634 178.390 176.600 0.260 0.000 0.990 131 E CA 1.376 57.979 56.400 0.337 0.000 0.821 131 E CB -0.323 29.477 29.700 0.167 0.000 0.750 131 E HN 0.360 nan 8.360 nan 0.000 0.477 132 E N 0.078 120.367 120.200 0.149 0.000 2.153 132 E HA -0.154 4.197 4.350 0.001 0.000 0.194 132 E C 1.872 178.511 176.600 0.064 0.000 0.988 132 E CA 0.646 57.090 56.400 0.073 0.000 0.811 132 E CB -0.073 29.634 29.700 0.012 0.000 0.746 132 E HN 0.332 nan 8.360 nan 0.000 0.466 133 I N 0.903 121.543 120.570 0.117 0.000 2.226 133 I HA -0.180 3.990 4.170 0.001 0.000 0.245 133 I C -0.833 175.245 176.117 -0.065 0.000 1.100 133 I CA 0.878 62.209 61.300 0.052 0.000 1.374 133 I CB -1.114 36.969 38.000 0.138 0.000 1.057 133 I HN 0.066 nan 8.210 nan 0.000 0.413 134 P HA -0.173 nan 4.420 nan 0.000 0.216 134 P C 1.428 178.530 177.300 -0.331 0.000 1.150 134 P CA 1.744 64.512 63.100 -0.553 0.000 0.837 134 P CB -0.009 31.483 31.700 -0.347 0.000 0.786 135 A N -0.855 121.898 122.820 -0.111 0.000 1.897 135 A HA -0.136 4.185 4.320 0.001 0.000 0.215 135 A C 2.122 179.684 177.584 -0.036 0.000 1.181 135 A CA 1.216 53.227 52.037 -0.043 0.000 0.620 135 A CB -1.602 17.395 19.000 -0.004 0.000 0.821 135 A HN 0.144 nan 8.150 nan 0.000 0.443 136 L N 0.205 121.404 121.223 -0.039 0.000 2.141 136 L HA -0.136 4.204 4.340 0.001 0.000 0.209 136 L C 1.900 178.762 176.870 -0.014 0.000 1.094 136 L CA 2.515 57.342 54.840 -0.022 0.000 0.763 136 L CB -0.503 41.543 42.059 -0.021 0.000 0.908 136 L HN 0.504 nan 8.230 nan 0.000 0.437 137 D N -0.755 119.619 120.400 -0.043 0.000 2.117 137 D HA -0.252 4.388 4.640 0.001 0.000 0.197 137 D C 2.260 178.589 176.300 0.049 0.000 0.987 137 D CA 1.324 55.328 54.000 0.007 0.000 0.829 137 D CB -0.004 40.789 40.800 -0.012 0.000 0.961 137 D HN 0.253 nan 8.370 nan 0.000 0.460 138 K N 0.125 120.546 120.400 0.035 0.000 2.063 138 K HA -0.190 4.130 4.320 0.001 0.000 0.208 138 K C 2.020 178.646 176.600 0.044 0.000 1.048 138 K CA 1.417 57.745 56.287 0.067 0.000 0.928 138 K CB 0.003 32.540 32.500 0.062 0.000 0.713 138 K HN 0.235 nan 8.250 nan 0.000 0.442 139 E N 0.433 120.649 120.200 0.026 0.000 2.051 139 E HA -0.206 4.144 4.350 0.001 0.000 0.192 139 E C 2.107 178.722 176.600 0.024 0.000 0.991 139 E CA 1.343 57.756 56.400 0.021 0.000 0.799 139 E CB -0.101 29.607 29.700 0.013 0.000 0.748 139 E HN 0.286 nan 8.360 nan 0.000 0.449 140 L N 0.907 122.146 121.223 0.028 0.000 2.141 140 L HA -0.156 4.184 4.340 0.001 0.000 0.209 140 L C 2.382 179.273 176.870 0.035 0.000 1.094 140 L CA 0.769 55.627 54.840 0.031 0.000 0.763 140 L CB -0.232 41.849 42.059 0.037 0.000 0.908 140 L HN -0.009 nan 8.230 nan 0.000 0.437 141 K N 0.255 120.682 120.400 0.045 0.000 2.097 141 K HA -0.102 4.219 4.320 0.001 0.000 0.206 141 K C 2.197 178.816 176.600 0.031 0.000 1.049 141 K CA 1.411 57.725 56.287 0.045 0.000 0.933 141 K CB -0.434 32.103 32.500 0.061 0.000 0.717 141 K HN 0.282 nan 8.250 nan 0.000 0.442 142 A N 2.280 125.117 122.820 0.029 0.000 1.978 142 A HA -0.186 4.134 4.320 0.001 0.000 0.220 142 A C 1.521 179.114 177.584 0.016 0.000 1.170 142 A CA 1.690 53.740 52.037 0.021 0.000 0.636 142 A CB -0.333 18.679 19.000 0.019 0.000 0.810 142 A HN 0.456 nan 8.150 nan 0.000 0.448 143 K N -1.608 118.801 120.400 0.016 0.000 2.814 143 K HA 0.448 4.768 4.320 0.001 0.000 0.213 143 K C 0.573 177.179 176.600 0.011 0.000 1.113 143 K CA 0.140 56.433 56.287 0.011 0.000 1.145 143 K CB -0.466 32.039 32.500 0.009 0.000 0.948 143 K HN 0.682 nan 8.250 nan 0.000 0.464 144 G N 1.583 110.391 108.800 0.013 0.000 2.273 144 G HA2 -0.248 3.712 3.960 0.001 0.000 0.280 144 G HA3 -0.248 3.712 3.960 0.001 0.000 0.280 144 G C -0.489 174.419 174.900 0.014 0.000 1.047 144 G CA 0.239 45.347 45.100 0.012 0.000 0.869 144 G HN 0.361 nan 8.290 nan 0.000 0.502 145 K N -0.700 119.713 120.400 0.021 0.000 2.439 145 K HA 0.798 5.119 4.320 0.001 0.000 0.260 145 K C 0.128 176.753 176.600 0.042 0.000 1.032 145 K CA -0.066 56.236 56.287 0.025 0.000 0.882 145 K CB 1.765 34.277 32.500 0.020 0.000 1.420 145 K HN 0.644 nan 8.250 nan 0.000 0.455 146 S N -1.404 114.328 115.700 0.053 0.000 2.638 146 S HA 0.668 5.138 4.470 0.001 0.000 0.302 146 S C 0.634 175.284 174.600 0.085 0.000 1.096 146 S CA -0.231 58.014 58.200 0.075 0.000 0.953 146 S CB 1.886 65.135 63.200 0.082 0.000 1.107 146 S HN 0.580 nan 8.310 nan 0.000 0.503 147 A N 0.591 123.467 122.820 0.092 0.000 1.861 147 A HA 0.472 4.793 4.320 0.001 0.000 0.212 147 A C 0.492 178.146 177.584 0.116 0.000 1.199 147 A CA 0.830 52.918 52.037 0.084 0.000 0.613 147 A CB -0.595 18.437 19.000 0.054 0.000 0.846 147 A HN 0.950 nan 8.150 nan 0.000 0.446 148 L N -0.946 120.363 121.223 0.144 0.000 2.455 148 L HA 0.716 5.056 4.340 0.001 0.000 0.264 148 L C -1.212 175.791 176.870 0.222 0.000 0.968 148 L CA -0.171 54.784 54.840 0.191 0.000 0.827 148 L CB 1.859 44.040 42.059 0.203 0.000 1.317 148 L HN 0.345 nan 8.230 nan 0.000 0.407 149 M N 5.967 125.711 119.600 0.240 0.000 2.271 149 M HA 0.586 5.067 4.480 0.001 0.000 0.285 149 M C -1.539 174.911 176.300 0.250 0.000 1.059 149 M CA -0.423 54.983 55.300 0.176 0.000 0.940 149 M CB 2.047 34.707 32.600 0.100 0.000 1.636 149 M HN 0.600 nan 8.290 nan 0.000 0.460 150 F N 0.247 120.199 119.950 0.002 0.000 2.711 150 F HA 0.569 5.097 4.527 0.001 0.000 0.313 150 F C -0.831 174.896 175.800 -0.122 0.000 1.141 150 F CA -1.331 56.629 58.000 -0.068 0.000 0.941 150 F CB 0.821 39.844 39.000 0.038 0.000 1.349 150 F HN 0.441 nan 8.300 nan 0.000 0.464 151 N N 1.680 120.234 118.700 -0.243 0.000 2.423 151 N HA 0.156 4.897 4.740 0.001 0.000 0.275 151 N C 0.127 175.505 175.510 -0.220 0.000 1.283 151 N CA 0.109 52.932 53.050 -0.379 0.000 0.932 151 N CB 0.326 38.339 38.487 -0.791 0.000 1.185 151 N HN 0.781 nan 8.380 nan 0.000 0.483 152 L N 2.130 123.212 121.223 -0.234 0.000 2.607 152 L HA 0.110 4.450 4.340 0.001 0.000 0.228 152 L C 1.320 178.186 176.870 -0.007 0.000 1.123 152 L CA 0.111 54.864 54.840 -0.145 0.000 0.890 152 L CB 0.074 41.997 42.059 -0.228 0.000 1.103 152 L HN 0.453 nan 8.230 nan 0.000 0.468 153 Q N -0.246 119.561 119.800 0.011 0.000 2.402 153 Q HA 0.160 4.500 4.340 0.001 0.000 0.206 153 Q C 0.163 176.229 176.000 0.110 0.000 0.919 153 Q CA 0.576 56.405 55.803 0.044 0.000 0.923 153 Q CB 0.716 29.469 28.738 0.025 0.000 1.048 153 Q HN 0.304 nan 8.270 nan 0.000 0.515 154 E N 1.316 121.643 120.200 0.211 0.000 2.191 154 E HA 0.188 4.539 4.350 0.001 0.000 0.263 154 E C -1.866 174.991 176.600 0.428 0.000 0.881 154 E CA -2.015 54.567 56.400 0.304 0.000 0.757 154 E CB 2.129 32.073 29.700 0.407 0.000 1.147 154 E HN -0.129 nan 8.360 nan 0.000 0.414 155 P HA -0.191 nan 4.420 nan 0.000 0.221 155 P C 1.361 179.029 177.300 0.613 0.000 1.145 155 P CA 0.879 64.256 63.100 0.462 0.000 0.795 155 P CB 0.150 32.131 31.700 0.468 0.000 0.775 156 Y N 0.431 120.887 120.300 0.260 0.000 2.181 156 Y HA -0.242 4.309 4.550 0.001 0.000 0.284 156 Y C 1.946 177.983 175.900 0.228 0.000 1.179 156 Y CA 1.778 59.964 58.100 0.142 0.000 1.179 156 Y CB -1.058 37.259 38.460 -0.239 0.000 0.973 156 Y HN -0.188 nan 8.280 nan 0.000 0.519 157 F N -1.226 118.967 119.950 0.404 0.000 2.473 157 F HA -0.033 4.494 4.527 0.001 0.000 0.294 157 F C 2.487 178.527 175.800 0.400 0.000 1.103 157 F CA 1.338 59.560 58.000 0.370 0.000 1.442 157 F CB -0.621 38.712 39.000 0.556 0.000 1.097 157 F HN 0.077 nan 8.300 nan 0.000 0.547 158 T N -3.500 111.419 114.554 0.608 0.000 3.051 158 T HA -0.144 4.206 4.350 0.001 0.000 0.255 158 T C 1.892 176.765 174.700 0.289 0.000 1.085 158 T CA -0.002 62.369 62.100 0.452 0.000 1.109 158 T CB -0.730 68.358 68.868 0.368 0.000 0.921 158 T HN 0.495 nan 8.240 nan 0.000 0.488 159 W N 2.996 124.412 121.300 0.194 0.000 2.321 159 W HA -0.081 4.580 4.660 0.001 0.000 0.306 159 W C -1.671 174.851 176.519 0.005 0.000 1.217 159 W CA 1.225 58.653 57.345 0.138 0.000 1.257 159 W CB -1.083 28.563 29.460 0.311 0.000 1.145 159 W HN 0.289 nan 8.180 nan 0.000 0.509 160 P HA -0.223 nan 4.420 nan 0.000 0.216 160 P C 1.780 178.944 177.300 -0.227 0.000 1.150 160 P CA 1.603 64.629 63.100 -0.123 0.000 0.843 160 P CB -0.474 31.231 31.700 0.009 0.000 0.787 161 L N -0.846 120.222 121.223 -0.259 0.000 2.072 161 L HA -0.066 4.274 4.340 0.001 0.000 0.205 161 L C 2.196 178.723 176.870 -0.571 0.000 1.079 161 L CA 1.631 56.147 54.840 -0.540 0.000 0.752 161 L CB -1.243 40.302 42.059 -0.856 0.000 0.906 161 L HN -0.140 nan 8.230 nan 0.000 0.436 162 I N -0.207 120.050 120.570 -0.521 0.000 2.226 162 I HA -0.274 3.896 4.170 0.001 0.000 0.245 162 I C 2.491 178.200 176.117 -0.679 0.000 1.100 162 I CA 1.249 62.215 61.300 -0.557 0.000 1.374 162 I CB -0.595 37.098 38.000 -0.512 0.000 1.057 162 I HN 0.345 nan 8.210 nan 0.000 0.413 163 A N 0.546 122.794 122.820 -0.952 0.000 2.066 163 A HA -0.007 4.313 4.320 0.001 0.000 0.218 163 A C 2.528 179.916 177.584 -0.326 0.000 1.157 163 A CA 1.308 52.890 52.037 -0.758 0.000 0.670 163 A CB -0.611 17.843 19.000 -0.911 0.000 0.804 163 A HN 0.411 nan 8.150 nan 0.000 0.453 164 A N 0.124 122.797 122.820 -0.246 0.000 1.892 164 A HA -0.240 4.080 4.320 0.001 0.000 0.218 164 A C 1.764 179.347 177.584 -0.001 0.000 1.188 164 A CA 2.169 54.166 52.037 -0.066 0.000 0.631 164 A CB -0.497 18.524 19.000 0.035 0.000 0.822 164 A HN 0.449 nan 8.150 nan 0.000 0.447 165 D N -2.719 117.706 120.400 0.041 0.000 2.342 165 D HA 0.345 4.986 4.640 0.001 0.000 0.221 165 D C 0.858 177.162 176.300 0.008 0.000 1.101 165 D CA 1.004 55.026 54.000 0.036 0.000 0.837 165 D CB 0.059 40.920 40.800 0.103 0.000 0.938 165 D HN 0.515 nan 8.370 nan 0.000 0.508 166 G N -1.157 107.636 108.800 -0.012 0.000 2.370 166 G HA2 -0.044 3.916 3.960 0.001 0.000 0.174 166 G HA3 -0.044 3.916 3.960 0.001 0.000 0.174 166 G C 0.665 175.605 174.900 0.067 0.000 1.002 166 G CA -0.270 44.857 45.100 0.044 0.000 0.730 166 G HN 0.488 nan 8.290 nan 0.000 0.497 167 G N 0.315 109.058 108.800 -0.095 0.000 2.441 167 G HA2 0.657 4.617 3.960 0.001 0.000 0.243 167 G HA3 0.657 4.617 3.960 0.001 0.000 0.243 167 G C -0.253 174.667 174.900 0.033 0.000 1.281 167 G CA 0.523 45.509 45.100 -0.190 0.000 0.854 167 G HN 1.472 nan 8.290 nan 0.000 0.560 168 Y N -1.554 118.868 120.300 0.204 0.000 2.670 168 Y HA 0.729 5.279 4.550 0.001 0.000 0.334 168 Y C 0.629 176.755 175.900 0.376 0.000 1.185 168 Y CA -0.778 57.544 58.100 0.370 0.000 1.053 168 Y CB 0.851 39.427 38.460 0.194 0.000 1.298 168 Y HN 0.654 nan 8.280 nan 0.000 0.459 169 A N 1.046 124.037 122.820 0.286 0.000 1.878 169 A HA 0.454 4.774 4.320 0.001 0.000 0.215 169 A C -0.498 176.709 177.584 -0.629 0.000 1.310 169 A CA 0.901 52.569 52.037 -0.615 0.000 0.612 169 A CB -0.332 18.010 19.000 -1.097 0.000 0.989 169 A HN 0.559 nan 8.150 nan 0.000 0.472 170 F N -0.716 119.322 119.950 0.146 0.000 2.556 170 F HA 0.445 4.972 4.527 0.001 0.000 0.314 170 F C 0.003 176.086 175.800 0.472 0.000 1.106 170 F CA -0.840 57.331 58.000 0.285 0.000 0.911 170 F CB 1.833 40.884 39.000 0.085 0.000 1.190 170 F HN 0.061 nan 8.300 nan 0.000 0.448 171 K N 2.592 123.317 120.400 0.542 0.000 2.383 171 K HA 0.086 4.407 4.320 0.001 0.000 0.286 171 K C -1.189 175.560 176.600 0.249 0.000 1.051 171 K CA -0.186 56.230 56.287 0.214 0.000 0.974 171 K CB 0.315 32.866 32.500 0.086 0.000 0.968 171 K HN 0.679 nan 8.250 nan 0.000 0.475 172 Y N 3.809 124.111 120.300 0.004 0.000 2.436 172 Y HA 0.116 4.667 4.550 0.001 0.000 0.343 172 Y C -0.515 175.299 175.900 -0.144 0.000 1.008 172 Y CA 0.320 58.271 58.100 -0.249 0.000 1.241 172 Y CB 0.638 38.849 38.460 -0.415 0.000 1.153 172 Y HN 0.646 nan 8.280 nan 0.000 0.521 173 E N 4.863 124.799 120.200 -0.440 0.000 2.311 173 E HA 0.219 4.570 4.350 0.001 0.000 0.281 173 E C -0.995 175.414 176.600 -0.319 0.000 0.905 173 E CA -0.641 55.608 56.400 -0.252 0.000 0.778 173 E CB 0.682 30.315 29.700 -0.111 0.000 1.240 173 E HN 0.747 nan 8.360 nan 0.000 0.410 174 N N 2.609 121.176 118.700 -0.222 0.000 2.738 174 N HA -0.207 4.533 4.740 0.001 0.000 0.249 174 N C 0.446 175.807 175.510 -0.248 0.000 1.047 174 N CA 1.462 54.407 53.050 -0.175 0.000 0.707 174 N CB -1.363 37.051 38.487 -0.120 0.000 0.937 174 N HN 0.991 nan 8.380 nan 0.000 0.545 175 G N -0.888 107.699 108.800 -0.356 0.000 2.153 175 G HA2 -0.364 3.597 3.960 0.001 0.000 0.252 175 G HA3 -0.364 3.597 3.960 0.001 0.000 0.252 175 G C 0.041 174.640 174.900 -0.501 0.000 0.994 175 G CA 1.430 46.340 45.100 -0.316 0.000 0.698 175 G HN 0.979 nan 8.290 nan 0.000 0.521 176 K N -1.959 117.931 120.400 -0.849 0.000 2.555 176 K HA 0.675 4.996 4.320 0.001 0.000 0.279 176 K C -0.991 175.200 176.600 -0.681 0.000 0.986 176 K CA -1.404 54.524 56.287 -0.598 0.000 0.880 176 K CB 1.043 33.402 32.500 -0.234 0.000 1.474 176 K HN -0.010 nan 8.250 nan 0.000 0.433 177 Y N 0.900 121.100 120.300 -0.166 0.000 2.316 177 Y HA 0.162 4.712 4.550 0.001 0.000 0.331 177 Y C -0.072 175.803 175.900 -0.041 0.000 1.083 177 Y CA 0.006 58.094 58.100 -0.018 0.000 1.206 177 Y CB 1.118 39.614 38.460 0.061 0.000 1.195 177 Y HN 0.630 nan 8.280 nan 0.000 0.497 178 D N 4.443 124.956 120.400 0.188 0.000 2.365 178 D HA 0.064 4.704 4.640 0.001 0.000 0.237 178 D C 0.964 177.397 176.300 0.222 0.000 1.190 178 D CA -0.183 53.906 54.000 0.149 0.000 0.867 178 D CB 0.467 41.351 40.800 0.141 0.000 1.050 178 D HN 0.631 nan 8.370 nan 0.000 0.491 179 I N 0.811 121.428 120.570 0.079 0.000 3.001 179 I HA -0.026 4.144 4.170 0.001 0.000 0.268 179 I C 1.061 177.324 176.117 0.243 0.000 1.267 179 I CA 0.413 61.706 61.300 -0.012 0.000 1.472 179 I CB 0.081 37.976 38.000 -0.176 0.000 1.089 179 I HN 0.003 nan 8.210 nan 0.000 0.468 180 K N 0.632 121.161 120.400 0.214 0.000 2.352 180 K HA 0.122 4.443 4.320 0.001 0.000 0.194 180 K C 0.120 176.860 176.600 0.232 0.000 1.038 180 K CA 0.284 56.693 56.287 0.203 0.000 1.023 180 K CB -0.112 32.467 32.500 0.130 0.000 0.840 180 K HN 0.274 nan 8.250 nan 0.000 0.519 181 D N 1.869 122.438 120.400 0.282 0.000 2.441 181 D HA 0.104 4.744 4.640 0.001 0.000 0.221 181 D C -1.010 175.498 176.300 0.345 0.000 1.156 181 D CA -0.233 53.942 54.000 0.292 0.000 0.896 181 D CB 0.353 41.325 40.800 0.287 0.000 1.028 181 D HN -0.280 nan 8.370 nan 0.000 0.509 182 V N 2.650 122.659 119.914 0.159 0.000 2.417 182 V HA 0.546 4.666 4.120 0.001 0.000 0.291 182 V C 1.293 177.222 176.094 -0.274 0.000 1.024 182 V CA -0.936 61.307 62.300 -0.094 0.000 0.861 182 V CB 1.832 33.581 31.823 -0.124 0.000 0.985 182 V HN 0.553 nan 8.190 nan 0.000 0.436 183 G N 2.321 110.643 108.800 -0.796 0.000 3.949 183 G HA2 0.297 4.258 3.960 0.001 0.000 0.295 183 G HA3 0.297 4.258 3.960 0.001 0.000 0.295 183 G C 0.807 175.398 174.900 -0.514 0.000 1.286 183 G CA 0.493 44.772 45.100 -1.369 0.000 1.171 183 G HN 0.849 nan 8.290 nan 0.000 0.586 184 V N -2.296 117.510 119.914 -0.181 0.000 3.506 184 V HA 0.132 4.252 4.120 0.001 0.000 0.263 184 V C 1.127 177.208 176.094 -0.022 0.000 1.203 184 V CA 1.093 63.407 62.300 0.025 0.000 1.133 184 V CB 0.412 32.295 31.823 0.100 0.000 0.802 184 V HN 0.308 nan 8.190 nan 0.000 0.459 185 D N 0.918 121.283 120.400 -0.057 0.000 2.501 185 D HA 0.096 4.736 4.640 0.001 0.000 0.224 185 D C 0.273 176.560 176.300 -0.021 0.000 1.202 185 D CA -0.251 53.735 54.000 -0.023 0.000 0.829 185 D CB -0.618 40.181 40.800 -0.001 0.000 1.023 185 D HN 0.666 nan 8.370 nan 0.000 0.499 186 N N 0.076 118.749 118.700 -0.044 0.000 2.434 186 N HA 0.370 5.111 4.740 0.001 0.000 0.266 186 N C 1.308 176.818 175.510 0.000 0.000 1.223 186 N CA -0.130 52.915 53.050 -0.009 0.000 0.972 186 N CB 0.769 39.262 38.487 0.010 0.000 1.207 186 N HN -0.111 nan 8.380 nan 0.000 0.525 187 A N 0.067 122.898 122.820 0.019 0.000 1.948 187 A HA -0.071 4.249 4.320 0.001 0.000 0.220 187 A C 2.008 179.605 177.584 0.023 0.000 1.177 187 A CA 2.069 54.119 52.037 0.022 0.000 0.636 187 A CB -1.730 17.285 19.000 0.025 0.000 0.815 187 A HN 0.826 nan 8.150 nan 0.000 0.449 188 G N -0.795 108.015 108.800 0.018 0.000 2.402 188 G HA2 0.035 3.995 3.960 0.001 0.000 0.216 188 G HA3 0.035 3.995 3.960 0.001 0.000 0.216 188 G C 1.743 176.630 174.900 -0.022 0.000 1.162 188 G CA 1.394 46.505 45.100 0.017 0.000 0.777 188 G HN 0.810 nan 8.290 nan 0.000 0.539 189 A N 0.878 123.657 122.820 -0.068 0.000 1.898 189 A HA 0.028 4.349 4.320 0.001 0.000 0.216 189 A C 2.304 179.842 177.584 -0.075 0.000 1.181 189 A CA 1.893 53.856 52.037 -0.122 0.000 0.620 189 A CB -0.339 18.595 19.000 -0.109 0.000 0.819 189 A HN 0.360 nan 8.150 nan 0.000 0.442 190 K N -0.237 120.147 120.400 -0.028 0.000 2.057 190 K HA -0.087 4.234 4.320 0.001 0.000 0.207 190 K C 2.328 178.938 176.600 0.017 0.000 1.049 190 K CA 1.143 57.427 56.287 -0.005 0.000 0.931 190 K CB -0.349 32.158 32.500 0.011 0.000 0.714 190 K HN 0.441 nan 8.250 nan 0.000 0.440 191 A N 1.338 124.194 122.820 0.059 0.000 1.877 191 A HA -0.112 4.209 4.320 0.001 0.000 0.216 191 A C 2.450 180.103 177.584 0.115 0.000 1.186 191 A CA 2.010 54.148 52.037 0.167 0.000 0.620 191 A CB -1.285 17.860 19.000 0.242 0.000 0.822 191 A HN 0.432 nan 8.150 nan 0.000 0.443 192 G N -0.357 108.391 108.800 -0.087 0.000 2.421 192 G HA2 -0.158 3.803 3.960 0.001 0.000 0.216 192 G HA3 -0.158 3.803 3.960 0.001 0.000 0.216 192 G C 1.499 176.172 174.900 -0.378 0.000 1.171 192 G CA 1.264 46.037 45.100 -0.545 0.000 0.775 192 G HN 0.460 nan 8.290 nan 0.000 0.543 193 L N 0.802 121.912 121.223 -0.188 0.000 2.056 193 L HA 0.056 4.396 4.340 0.001 0.000 0.207 193 L C 2.949 179.782 176.870 -0.063 0.000 1.078 193 L CA 2.321 57.094 54.840 -0.111 0.000 0.749 193 L CB -0.931 41.093 42.059 -0.059 0.000 0.901 193 L HN 0.180 nan 8.230 nan 0.000 0.433 194 T N -0.602 113.939 114.554 -0.021 0.000 2.699 194 T HA -0.255 4.095 4.350 0.001 0.000 0.268 194 T C 1.648 176.364 174.700 0.026 0.000 1.036 194 T CA 2.004 64.114 62.100 0.017 0.000 1.147 194 T CB -0.537 68.368 68.868 0.060 0.000 0.862 194 T HN 0.367 nan 8.240 nan 0.000 0.446 195 F N 1.261 121.141 119.950 -0.116 0.000 2.102 195 F HA -0.046 4.482 4.527 0.001 0.000 0.298 195 F C 2.003 177.728 175.800 -0.125 0.000 1.105 195 F CA 0.846 58.776 58.000 -0.117 0.000 1.239 195 F CB -0.459 38.362 39.000 -0.298 0.000 0.991 195 F HN 0.041 nan 8.300 nan 0.000 0.474 196 L N -0.104 121.084 121.223 -0.058 0.000 2.012 196 L HA -0.170 4.170 4.340 0.001 0.000 0.210 196 L C 2.161 178.988 176.870 -0.072 0.000 1.073 196 L CA 1.706 56.508 54.840 -0.064 0.000 0.748 196 L CB -0.916 41.106 42.059 -0.062 0.000 0.891 196 L HN 0.051 nan 8.230 nan 0.000 0.431 197 V N -0.310 119.563 119.914 -0.069 0.000 2.515 197 V HA -0.232 3.889 4.120 0.001 0.000 0.250 197 V C 2.193 178.241 176.094 -0.077 0.000 1.058 197 V CA 1.674 63.939 62.300 -0.059 0.000 1.064 197 V CB -0.850 30.949 31.823 -0.041 0.000 0.675 197 V HN 0.438 nan 8.190 nan 0.000 0.461 198 D N 0.314 120.645 120.400 -0.114 0.000 2.117 198 D HA -0.105 4.536 4.640 0.001 0.000 0.198 198 D C 2.171 178.393 176.300 -0.129 0.000 0.982 198 D CA 1.091 55.012 54.000 -0.132 0.000 0.828 198 D CB -0.254 40.439 40.800 -0.179 0.000 0.967 198 D HN 0.323 nan 8.370 nan 0.000 0.464 199 L N 0.405 121.530 121.223 -0.163 0.000 2.079 199 L HA -0.174 4.166 4.340 0.001 0.000 0.210 199 L C 2.425 179.289 176.870 -0.010 0.000 1.081 199 L CA 0.857 55.686 54.840 -0.019 0.000 0.752 199 L CB -0.327 41.749 42.059 0.029 0.000 0.896 199 L HN 0.062 nan 8.230 nan 0.000 0.433 200 I N -0.710 119.833 120.570 -0.045 0.000 2.286 200 I HA -0.238 3.932 4.170 0.001 0.000 0.245 200 I C 2.549 178.617 176.117 -0.082 0.000 1.104 200 I CA 1.047 62.313 61.300 -0.057 0.000 1.397 200 I CB -0.294 37.675 38.000 -0.052 0.000 1.072 200 I HN 0.154 nan 8.210 nan 0.000 0.417 201 K N 1.149 121.501 120.400 -0.081 0.000 2.044 201 K HA -0.197 4.124 4.320 0.001 0.000 0.210 201 K C 1.319 177.848 176.600 -0.118 0.000 1.049 201 K CA 2.024 58.262 56.287 -0.082 0.000 0.927 201 K CB -0.361 32.099 32.500 -0.066 0.000 0.713 201 K HN 0.432 nan 8.250 nan 0.000 0.443 202 N N 0.549 119.148 118.700 -0.168 0.000 2.383 202 N HA 0.018 4.759 4.740 0.001 0.000 0.192 202 N C -0.737 174.460 175.510 -0.522 0.000 1.141 202 N CA 0.048 52.918 53.050 -0.300 0.000 0.851 202 N CB 0.318 38.641 38.487 -0.274 0.000 0.976 202 N HN 0.067 nan 8.380 nan 0.000 0.465 203 K N -0.257 119.952 120.400 -0.319 0.000 3.129 203 K HA -0.220 4.100 4.320 0.001 0.000 0.273 203 K C -0.416 176.045 176.600 -0.232 0.000 1.123 203 K CA 0.413 56.563 56.287 -0.229 0.000 0.800 203 K CB -1.634 30.764 32.500 -0.171 0.000 1.238 203 K HN 0.528 nan 8.250 nan 0.000 0.492 204 H N -0.923 118.145 119.070 -0.003 0.000 2.544 204 H HA 0.243 4.799 4.556 0.001 0.000 0.269 204 H C 0.881 176.228 175.328 0.033 0.000 0.970 204 H CA 0.681 56.741 56.048 0.021 0.000 1.219 204 H CB 0.277 30.056 29.762 0.029 0.000 1.421 204 H HN 0.277 nan 8.280 nan 0.000 0.555 205 M N 0.044 119.699 119.600 0.091 0.000 2.575 205 M HA 0.222 4.703 4.480 0.001 0.000 0.284 205 M C -0.615 175.674 176.300 -0.019 0.000 1.253 205 M CA -0.532 54.791 55.300 0.039 0.000 0.861 205 M CB 3.474 36.096 32.600 0.038 0.000 1.733 205 M HN -0.060 nan 8.290 nan 0.000 0.462 206 N N 0.288 118.964 118.700 -0.040 0.000 2.372 206 N HA 0.467 5.207 4.740 0.001 0.000 0.291 206 N C 0.130 175.598 175.510 -0.070 0.000 1.024 206 N CA 0.094 53.115 53.050 -0.050 0.000 0.873 206 N CB 2.115 40.579 38.487 -0.039 0.000 1.206 206 N HN 0.819 nan 8.380 nan 0.000 0.486 207 A N 2.909 125.692 122.820 -0.061 0.000 2.019 207 A HA -0.131 4.189 4.320 0.001 0.000 0.219 207 A C 1.111 178.658 177.584 -0.062 0.000 1.164 207 A CA 1.343 53.342 52.037 -0.063 0.000 0.644 207 A CB -0.106 18.866 19.000 -0.047 0.000 0.805 207 A HN 0.767 nan 8.150 nan 0.000 0.449 208 D N -0.237 120.132 120.400 -0.052 0.000 2.349 208 D HA 0.033 4.674 4.640 0.001 0.000 0.224 208 D C 0.108 176.379 176.300 -0.050 0.000 1.029 208 D CA 0.437 54.412 54.000 -0.042 0.000 0.879 208 D CB -0.355 40.427 40.800 -0.030 0.000 0.906 208 D HN 0.223 nan 8.370 nan 0.000 0.528 209 T N 2.669 117.179 114.554 -0.074 0.000 2.829 209 T HA 0.122 4.473 4.350 0.001 0.000 0.293 209 T C 0.286 174.926 174.700 -0.100 0.000 0.970 209 T CA -0.022 62.025 62.100 -0.089 0.000 1.168 209 T CB 0.703 69.496 68.868 -0.126 0.000 0.911 209 T HN 0.222 nan 8.240 nan 0.000 0.535 210 D N 1.621 121.982 120.400 -0.065 0.000 2.650 210 D HA 0.151 4.791 4.640 0.001 0.000 0.255 210 D C 1.041 177.317 176.300 -0.041 0.000 1.135 210 D CA -0.993 52.982 54.000 -0.042 0.000 1.099 210 D CB 0.103 40.909 40.800 0.010 0.000 1.273 210 D HN 0.333 nan 8.370 nan 0.000 0.628 211 Y N 0.474 120.708 120.300 -0.110 0.000 2.097 211 Y HA -0.236 4.314 4.550 0.001 0.000 0.282 211 Y C 2.617 178.502 175.900 -0.024 0.000 1.152 211 Y CA 3.397 61.437 58.100 -0.101 0.000 1.136 211 Y CB -0.301 38.130 38.460 -0.050 0.000 0.975 211 Y HN 0.452 nan 8.280 nan 0.000 0.498 212 S N -0.284 115.530 115.700 0.191 0.000 2.368 212 S HA -0.201 4.269 4.470 0.001 0.000 0.224 212 S C 2.027 176.647 174.600 0.033 0.000 1.029 212 S CA 1.501 59.782 58.200 0.135 0.000 0.988 212 S CB -1.074 62.207 63.200 0.135 0.000 0.838 212 S HN 0.524 nan 8.310 nan 0.000 0.462 213 I N 2.488 123.066 120.570 0.012 0.000 2.179 213 I HA -0.175 3.995 4.170 0.001 0.000 0.242 213 I C 3.129 179.235 176.117 -0.020 0.000 1.088 213 I CA 1.270 62.568 61.300 -0.003 0.000 1.357 213 I CB -0.716 37.277 38.000 -0.012 0.000 1.051 213 I HN 0.437 nan 8.210 nan 0.000 0.409 214 A N 0.174 122.956 122.820 -0.063 0.000 1.908 214 A HA -0.287 4.033 4.320 0.001 0.000 0.218 214 A C 2.310 179.864 177.584 -0.050 0.000 1.181 214 A CA 2.088 54.088 52.037 -0.062 0.000 0.627 214 A CB -0.702 18.224 19.000 -0.123 0.000 0.818 214 A HN 0.525 nan 8.150 nan 0.000 0.445 215 E N -0.188 119.933 120.200 -0.133 0.000 2.051 215 E HA -0.123 4.227 4.350 0.001 0.000 0.192 215 E C 2.156 178.775 176.600 0.032 0.000 0.991 215 E CA 1.087 57.435 56.400 -0.086 0.000 0.799 215 E CB -0.288 29.334 29.700 -0.130 0.000 0.748 215 E HN 0.518 nan 8.360 nan 0.000 0.449 216 A N 1.177 124.014 122.820 0.028 0.000 1.940 216 A HA -0.136 4.184 4.320 0.001 0.000 0.219 216 A C 2.382 179.991 177.584 0.043 0.000 1.176 216 A CA 1.931 53.991 52.037 0.039 0.000 0.631 216 A CB -0.788 18.231 19.000 0.032 0.000 0.814 216 A HN 0.435 nan 8.150 nan 0.000 0.446 217 A N -1.380 121.471 122.820 0.052 0.000 1.873 217 A HA -0.012 4.309 4.320 0.001 0.000 0.215 217 A C 2.078 179.709 177.584 0.079 0.000 1.186 217 A CA 1.576 53.647 52.037 0.057 0.000 0.616 217 A CB -0.680 18.358 19.000 0.064 0.000 0.823 217 A HN 0.645 nan 8.150 nan 0.000 0.442 218 F N 1.224 121.161 119.950 -0.022 0.000 2.163 218 F HA -0.114 4.414 4.527 0.001 0.000 0.297 218 F C 1.812 177.593 175.800 -0.032 0.000 1.094 218 F CA 1.818 59.804 58.000 -0.023 0.000 1.290 218 F CB -0.126 38.852 39.000 -0.037 0.000 1.017 218 F HN 0.197 nan 8.300 nan 0.000 0.483 219 N N 0.460 119.216 118.700 0.093 0.000 2.396 219 N HA -0.093 4.648 4.740 0.001 0.000 0.180 219 N C 1.322 176.798 175.510 -0.056 0.000 1.028 219 N CA 0.967 54.022 53.050 0.009 0.000 0.893 219 N CB -0.261 38.264 38.487 0.064 0.000 0.967 219 N HN 0.364 nan 8.380 nan 0.000 0.440 220 K N -0.578 119.792 120.400 -0.049 0.000 2.426 220 K HA 0.171 4.492 4.320 0.001 0.000 0.193 220 K C 0.641 177.188 176.600 -0.089 0.000 1.028 220 K CA 0.370 56.627 56.287 -0.051 0.000 1.047 220 K CB 0.427 32.915 32.500 -0.020 0.000 0.821 220 K HN 0.159 nan 8.250 nan 0.000 0.513 221 G N 1.928 110.631 108.800 -0.161 0.000 2.137 221 G HA2 -0.280 3.680 3.960 0.001 0.000 0.237 221 G HA3 -0.280 3.680 3.960 0.001 0.000 0.237 221 G C 0.380 175.213 174.900 -0.111 0.000 1.002 221 G CA 0.397 45.383 45.100 -0.190 0.000 0.702 221 G HN 0.435 nan 8.290 nan 0.000 0.515 222 E N -0.890 119.269 120.200 -0.069 0.000 2.250 222 E HA 0.128 4.478 4.350 0.001 0.000 0.192 222 E C 1.109 177.714 176.600 0.007 0.000 0.986 222 E CA 1.017 57.405 56.400 -0.020 0.000 0.849 222 E CB 0.406 30.106 29.700 -0.001 0.000 0.797 222 E HN 0.334 nan 8.360 nan 0.000 0.482 223 T N -1.278 113.289 114.554 0.021 0.000 2.876 223 T HA 0.477 4.828 4.350 0.001 0.000 0.289 223 T C 0.331 175.099 174.700 0.113 0.000 1.014 223 T CA -0.256 61.900 62.100 0.093 0.000 0.986 223 T CB 1.693 70.658 68.868 0.162 0.000 1.021 223 T HN -0.003 nan 8.240 nan 0.000 0.458 224 A N 4.290 127.195 122.820 0.141 0.000 2.067 224 A HA 0.420 4.740 4.320 0.001 0.000 0.217 224 A C 0.768 178.567 177.584 0.359 0.000 1.156 224 A CA 0.766 52.903 52.037 0.165 0.000 0.683 224 A CB -0.173 18.897 19.000 0.118 0.000 0.808 224 A HN 0.741 nan 8.150 nan 0.000 0.455 225 M N -2.270 117.556 119.600 0.377 0.000 2.569 225 M HA 0.462 4.942 4.480 0.001 0.000 0.279 225 M C -0.680 175.720 176.300 0.167 0.000 1.253 225 M CA -0.265 55.223 55.300 0.313 0.000 0.867 225 M CB 2.509 35.186 32.600 0.128 0.000 1.727 225 M HN 0.052 nan 8.290 nan 0.000 0.467 226 T N 0.886 115.348 114.554 -0.153 0.000 2.816 226 T HA 0.800 5.151 4.350 0.001 0.000 0.299 226 T C -1.954 172.644 174.700 -0.169 0.000 1.230 226 T CA -0.549 61.458 62.100 -0.156 0.000 1.007 226 T CB 1.482 70.144 68.868 -0.343 0.000 1.289 226 T HN 0.573 nan 8.240 nan 0.000 0.508 227 I N 3.425 123.959 120.570 -0.061 0.000 2.418 227 I HA 0.557 4.727 4.170 0.001 0.000 0.287 227 I C -0.153 176.062 176.117 0.165 0.000 1.008 227 I CA -0.728 60.541 61.300 -0.051 0.000 1.104 227 I CB 1.715 39.569 38.000 -0.243 0.000 1.264 227 I HN 0.505 nan 8.210 nan 0.000 0.438 228 N N 2.867 121.619 118.700 0.087 0.000 3.179 228 N HA 0.518 5.259 4.740 0.001 0.000 0.250 228 N C -1.001 174.368 175.510 -0.234 0.000 1.507 228 N CA -0.359 52.768 53.050 0.129 0.000 0.883 228 N CB 2.350 40.848 38.487 0.017 0.000 1.435 228 N HN 0.653 nan 8.380 nan 0.000 0.532 229 G N 0.031 108.331 108.800 -0.834 0.000 2.601 229 G HA2 0.490 4.451 3.960 0.001 0.000 0.317 229 G HA3 0.490 4.451 3.960 0.001 0.000 0.317 229 G C -1.904 171.903 174.900 -1.821 0.000 1.246 229 G CA -1.106 43.074 45.100 -1.533 0.000 1.012 229 G HN 0.314 nan 8.290 nan 0.000 0.494 230 P HA -0.165 nan 4.420 nan 0.000 0.216 230 P C 1.561 178.033 177.300 -1.380 0.000 1.154 230 P CA 2.096 63.863 63.100 -2.222 0.000 0.865 230 P CB -0.087 30.884 31.700 -1.216 0.000 0.789 231 W N 0.406 121.396 121.300 -0.516 0.000 2.313 231 W HA -0.173 4.487 4.660 0.001 0.000 0.293 231 W C 2.026 178.451 176.519 -0.156 0.000 1.216 231 W CA 1.250 58.444 57.345 -0.252 0.000 1.223 231 W CB -2.097 27.270 29.460 -0.155 0.000 1.138 231 W HN -0.114 nan 8.180 nan 0.000 0.535 232 A N 0.243 122.766 122.820 -0.495 0.000 2.067 232 A HA -0.080 4.240 4.320 0.001 0.000 0.219 232 A C 1.670 179.261 177.584 0.012 0.000 1.158 232 A CA 1.249 53.219 52.037 -0.110 0.000 0.661 232 A CB -1.275 17.602 19.000 -0.204 0.000 0.801 232 A HN 0.476 nan 8.150 nan 0.000 0.452 233 W N -0.021 121.217 121.300 -0.103 0.000 2.374 233 W HA -0.077 4.583 4.660 0.001 0.000 0.288 233 W C 2.742 179.254 176.519 -0.012 0.000 1.218 233 W CA 0.615 57.912 57.345 -0.079 0.000 1.245 233 W CB -1.517 27.956 29.460 0.022 0.000 1.126 233 W HN 0.417 nan 8.180 nan 0.000 0.545 234 S N 0.712 116.551 115.700 0.232 0.000 2.370 234 S HA -0.190 4.280 4.470 0.001 0.000 0.226 234 S C 1.710 176.379 174.600 0.116 0.000 1.033 234 S CA 1.786 60.082 58.200 0.161 0.000 1.011 234 S CB -0.270 62.996 63.200 0.112 0.000 0.852 234 S HN 0.148 nan 8.310 nan 0.000 0.457 235 N N 1.165 119.926 118.700 0.102 0.000 2.331 235 N HA 0.109 4.849 4.740 0.001 0.000 0.180 235 N C 1.636 177.182 175.510 0.059 0.000 1.019 235 N CA 1.004 54.103 53.050 0.080 0.000 0.881 235 N CB -0.385 38.159 38.487 0.095 0.000 0.972 235 N HN 0.502 nan 8.380 nan 0.000 0.435 236 I N 0.706 121.292 120.570 0.026 0.000 2.286 236 I HA -0.182 3.988 4.170 0.001 0.000 0.245 236 I C 1.423 177.566 176.117 0.042 0.000 1.104 236 I CA 0.876 62.143 61.300 -0.055 0.000 1.397 236 I CB -0.225 37.528 38.000 -0.412 0.000 1.072 236 I HN -0.066 nan 8.210 nan 0.000 0.417 237 D N 1.015 121.492 120.400 0.129 0.000 2.116 237 D HA -0.171 4.469 4.640 0.001 0.000 0.193 237 D C 2.215 178.580 176.300 0.109 0.000 0.998 237 D CA 1.911 56.021 54.000 0.183 0.000 0.836 237 D CB -0.522 40.382 40.800 0.173 0.000 0.951 237 D HN 0.267 nan 8.370 nan 0.000 0.449 238 T N 0.018 114.621 114.554 0.082 0.000 2.833 238 T HA -0.138 4.212 4.350 0.001 0.000 0.269 238 T C 2.015 176.743 174.700 0.046 0.000 1.054 238 T CA 1.565 63.700 62.100 0.058 0.000 1.135 238 T CB -0.293 68.606 68.868 0.052 0.000 0.869 238 T HN 0.235 nan 8.240 nan 0.000 0.466 239 S N 0.603 116.330 115.700 0.045 0.000 2.515 239 S HA 0.013 4.483 4.470 0.001 0.000 0.231 239 S C 0.991 175.604 174.600 0.021 0.000 0.987 239 S CA 0.594 58.810 58.200 0.026 0.000 0.936 239 S CB -0.300 62.909 63.200 0.015 0.000 0.766 239 S HN 0.285 nan 8.310 nan 0.000 0.528 240 K N -0.044 120.382 120.400 0.045 0.000 3.160 240 K HA -0.086 4.235 4.320 0.001 0.000 0.280 240 K C -0.595 176.021 176.600 0.027 0.000 1.154 240 K CA 0.737 57.047 56.287 0.039 0.000 0.822 240 K CB -2.593 29.918 32.500 0.018 0.000 1.239 240 K HN 0.419 nan 8.250 nan 0.000 0.489 241 V N 1.347 121.284 119.914 0.038 0.000 2.555 241 V HA 0.081 4.201 4.120 0.001 0.000 0.286 241 V C 0.833 176.984 176.094 0.095 0.000 1.044 241 V CA -0.582 61.717 62.300 -0.002 0.000 1.026 241 V CB 1.293 33.046 31.823 -0.118 0.000 0.981 241 V HN 0.309 nan 8.190 nan 0.000 0.480 242 N N 4.923 123.627 118.700 0.007 0.000 2.421 242 N HA 0.181 4.922 4.740 0.001 0.000 0.260 242 N C -0.902 174.588 175.510 -0.033 0.000 1.173 242 N CA -0.149 52.882 53.050 -0.031 0.000 0.960 242 N CB -0.156 38.293 38.487 -0.064 0.000 1.273 242 N HN 0.617 nan 8.380 nan 0.000 0.497 243 Y N 0.389 120.594 120.300 -0.159 0.000 2.536 243 Y HA 0.853 5.403 4.550 0.001 0.000 0.347 243 Y C 0.067 175.740 175.900 -0.379 0.000 1.000 243 Y CA -1.525 56.447 58.100 -0.212 0.000 1.051 243 Y CB 0.959 39.442 38.460 0.039 0.000 1.259 243 Y HN 0.271 nan 8.280 nan 0.000 0.468 244 G N 1.144 109.554 108.800 -0.651 0.000 2.482 244 G HA2 0.565 4.525 3.960 0.001 0.000 0.317 244 G HA3 0.565 4.525 3.960 0.001 0.000 0.317 244 G C -1.981 172.773 174.900 -0.244 0.000 1.241 244 G CA -1.119 43.597 45.100 -0.639 0.000 0.967 244 G HN 0.665 nan 8.290 nan 0.000 0.482 245 V N 1.228 121.070 119.914 -0.120 0.000 2.347 245 V HA 0.653 4.773 4.120 0.001 0.000 0.280 245 V C 0.445 176.579 176.094 0.066 0.000 1.021 245 V CA -0.350 61.950 62.300 0.001 0.000 0.847 245 V CB 0.873 32.614 31.823 -0.137 0.000 0.990 245 V HN 0.867 nan 8.190 nan 0.000 0.444 246 T N 3.207 117.841 114.554 0.134 0.000 2.831 246 T HA 0.537 4.888 4.350 0.001 0.000 0.287 246 T C -0.584 174.128 174.700 0.020 0.000 1.070 246 T CA -0.389 61.761 62.100 0.083 0.000 1.010 246 T CB 2.010 70.935 68.868 0.095 0.000 1.264 246 T HN 0.434 nan 8.240 nan 0.000 0.532 247 V N 2.951 122.855 119.914 -0.017 0.000 2.763 247 V HA 0.345 4.466 4.120 0.001 0.000 0.306 247 V C 0.230 176.285 176.094 -0.066 0.000 1.059 247 V CA -0.074 62.206 62.300 -0.033 0.000 1.138 247 V CB 0.020 31.819 31.823 -0.039 0.000 0.940 247 V HN 0.715 nan 8.190 nan 0.000 0.489 248 L N 7.982 129.170 121.223 -0.058 0.000 2.461 248 L HA 0.291 4.631 4.340 0.001 0.000 0.272 248 L C -1.973 174.826 176.870 -0.118 0.000 1.197 248 L CA -1.444 53.339 54.840 -0.096 0.000 0.836 248 L CB 0.354 42.397 42.059 -0.027 0.000 1.105 248 L HN 0.555 nan 8.230 nan 0.000 0.477 249 P HA 0.077 nan 4.420 nan 0.000 0.272 249 P C -0.548 176.769 177.300 0.028 0.000 1.223 249 P CA -0.467 62.476 63.100 -0.261 0.000 0.784 249 P CB 0.465 31.759 31.700 -0.677 0.000 0.923 250 T N -0.777 113.819 114.554 0.069 0.000 2.868 250 T HA 0.453 4.804 4.350 0.001 0.000 0.292 250 T C -0.657 174.233 174.700 0.317 0.000 1.028 250 T CA -0.261 61.929 62.100 0.150 0.000 1.059 250 T CB 0.115 69.008 68.868 0.043 0.000 0.991 250 T HN 0.210 nan 8.240 nan 0.000 0.531 251 F N 2.002 121.974 119.950 0.036 0.000 2.536 251 F HA 0.436 4.964 4.527 0.001 0.000 0.322 251 F C 0.424 176.151 175.800 -0.123 0.000 1.144 251 F CA -1.343 56.593 58.000 -0.107 0.000 0.924 251 F CB 1.160 39.992 39.000 -0.279 0.000 1.181 251 F HN 0.861 nan 8.300 nan 0.000 0.438 252 K N 4.516 124.467 120.400 -0.748 0.000 3.077 252 K HA -0.226 4.095 4.320 0.001 0.000 0.264 252 K C 0.935 177.374 176.600 -0.269 0.000 1.008 252 K CA 0.859 56.807 56.287 -0.565 0.000 0.740 252 K CB -1.918 30.139 32.500 -0.737 0.000 1.273 252 K HN 1.451 nan 8.250 nan 0.000 0.477 253 G N -0.327 108.375 108.800 -0.164 0.000 2.205 253 G HA2 -0.359 3.601 3.960 0.001 0.000 0.261 253 G HA3 -0.359 3.601 3.960 0.001 0.000 0.261 253 G C 0.005 174.869 174.900 -0.061 0.000 0.980 253 G CA 0.893 45.938 45.100 -0.091 0.000 0.632 253 G HN 0.473 nan 8.290 nan 0.000 0.533 254 Q N 1.116 120.880 119.800 -0.060 0.000 2.235 254 Q HA 0.543 4.884 4.340 0.001 0.000 0.256 254 Q C -2.350 173.662 176.000 0.019 0.000 0.951 254 Q CA -2.072 53.716 55.803 -0.024 0.000 0.890 254 Q CB 2.353 31.073 28.738 -0.031 0.000 1.279 254 Q HN 0.247 nan 8.270 nan 0.000 0.444 255 P HA 0.022 nan 4.420 nan 0.000 0.275 255 P C -0.773 176.553 177.300 0.044 0.000 1.228 255 P CA -0.201 62.918 63.100 0.031 0.000 0.786 255 P CB 0.902 32.608 31.700 0.009 0.000 0.927 256 S N 1.865 117.612 115.700 0.079 0.000 2.549 256 S HA 0.067 4.537 4.470 0.001 0.000 0.286 256 S C 0.442 175.043 174.600 0.003 0.000 1.314 256 S CA -0.053 58.185 58.200 0.064 0.000 1.062 256 S CB -0.179 63.115 63.200 0.156 0.000 0.865 256 S HN 0.285 nan 8.310 nan 0.000 0.498 257 K N 3.773 124.138 120.400 -0.059 0.000 2.432 257 K HA 0.264 4.584 4.320 0.001 0.000 0.226 257 K C -2.617 173.955 176.600 -0.047 0.000 1.057 257 K CA -1.749 54.501 56.287 -0.061 0.000 1.034 257 K CB 0.936 33.374 32.500 -0.103 0.000 1.561 257 K HN 0.398 nan 8.250 nan 0.000 0.492 258 P HA 0.048 nan 4.420 nan 0.000 0.275 258 P C -0.508 176.898 177.300 0.176 0.000 1.227 258 P CA -0.353 62.787 63.100 0.068 0.000 0.781 258 P CB 0.512 32.225 31.700 0.021 0.000 0.906 259 F N 1.831 121.958 119.950 0.296 0.000 2.541 259 F HA 0.012 4.539 4.527 0.001 0.000 0.378 259 F C 0.792 176.778 175.800 0.311 0.000 1.068 259 F CA 0.141 58.344 58.000 0.339 0.000 1.199 259 F CB 0.100 39.356 39.000 0.427 0.000 1.091 259 F HN 0.021 nan 8.300 nan 0.000 0.555 260 V N 4.560 124.807 119.914 0.555 0.000 2.470 260 V HA 0.415 4.536 4.120 0.001 0.000 0.276 260 V C 0.709 177.118 176.094 0.525 0.000 1.040 260 V CA -0.387 62.185 62.300 0.453 0.000 1.008 260 V CB 0.482 32.547 31.823 0.402 0.000 0.990 260 V HN 0.865 nan 8.190 nan 0.000 0.477 261 G N 3.438 112.516 108.800 0.464 0.000 2.420 261 G HA2 0.593 4.553 3.960 0.001 0.000 0.331 261 G HA3 0.593 4.553 3.960 0.001 0.000 0.331 261 G C -1.095 174.014 174.900 0.348 0.000 1.168 261 G CA -0.499 44.868 45.100 0.445 0.000 0.936 261 G HN 0.541 nan 8.290 nan 0.000 0.479 262 V N 3.167 123.320 119.914 0.397 0.000 2.326 262 V HA 0.206 4.326 4.120 0.001 0.000 0.281 262 V C 0.110 176.289 176.094 0.141 0.000 1.015 262 V CA -0.761 61.635 62.300 0.160 0.000 0.823 262 V CB 1.084 32.859 31.823 -0.081 0.000 1.009 262 V HN 0.719 nan 8.190 nan 0.000 0.436 263 L N 5.809 127.089 121.223 0.094 0.000 2.559 263 L HA 0.258 4.598 4.340 0.001 0.000 0.274 263 L C 0.391 177.288 176.870 0.046 0.000 1.205 263 L CA 1.390 56.277 54.840 0.078 0.000 0.907 263 L CB 0.420 42.538 42.059 0.098 0.000 1.153 263 L HN 0.734 nan 8.230 nan 0.000 0.490 264 S N 3.263 118.959 115.700 -0.007 0.000 2.599 264 S HA 0.905 5.375 4.470 0.001 0.000 0.287 264 S C -0.819 173.570 174.600 -0.351 0.000 1.105 264 S CA -0.341 57.704 58.200 -0.257 0.000 0.899 264 S CB 1.890 64.726 63.200 -0.606 0.000 1.100 264 S HN 0.891 nan 8.310 nan 0.000 0.482 265 A N 1.218 123.756 122.820 -0.471 0.000 2.340 265 A HA 0.761 5.081 4.320 0.001 0.000 0.297 265 A C 0.122 177.569 177.584 -0.229 0.000 1.195 265 A CA -0.594 51.059 52.037 -0.639 0.000 0.769 265 A CB 0.465 18.864 19.000 -1.003 0.000 1.163 265 A HN 0.899 nan 8.150 nan 0.000 0.472 266 G N 1.186 109.987 108.800 0.001 0.000 2.412 266 G HA2 0.579 4.539 3.960 0.001 0.000 0.318 266 G HA3 0.579 4.539 3.960 0.001 0.000 0.318 266 G C -0.476 174.470 174.900 0.077 0.000 1.146 266 G CA -0.619 44.577 45.100 0.159 0.000 0.882 266 G HN 0.680 nan 8.290 nan 0.000 0.501 267 I N 1.729 122.362 120.570 0.105 0.000 2.336 267 I HA 0.110 4.280 4.170 0.001 0.000 0.292 267 I C 0.151 176.325 176.117 0.096 0.000 0.991 267 I CA -0.938 60.412 61.300 0.083 0.000 1.227 267 I CB 1.434 39.494 38.000 0.101 0.000 1.366 267 I HN 0.344 nan 8.210 nan 0.000 0.466 268 N N 4.582 123.335 118.700 0.088 0.000 2.411 268 N HA -0.000 4.740 4.740 0.001 0.000 0.261 268 N C 0.877 176.422 175.510 0.059 0.000 1.248 268 N CA 0.346 53.470 53.050 0.123 0.000 0.885 268 N CB 1.462 39.990 38.487 0.069 0.000 1.062 268 N HN 0.794 nan 8.380 nan 0.000 0.471 269 A N 3.979 126.831 122.820 0.053 0.000 2.019 269 A HA -0.076 4.244 4.320 0.001 0.000 0.219 269 A C 1.817 179.396 177.584 -0.008 0.000 1.164 269 A CA 1.822 53.873 52.037 0.023 0.000 0.644 269 A CB -0.452 18.559 19.000 0.019 0.000 0.805 269 A HN 0.753 nan 8.150 nan 0.000 0.449 270 A N -0.765 122.033 122.820 -0.037 0.000 2.251 270 A HA 0.348 4.669 4.320 0.001 0.000 0.209 270 A C 1.332 178.889 177.584 -0.045 0.000 1.187 270 A CA 0.675 52.680 52.037 -0.053 0.000 0.823 270 A CB -0.485 18.460 19.000 -0.092 0.000 0.846 270 A HN 0.444 nan 8.150 nan 0.000 0.486 271 S N 1.190 116.872 115.700 -0.031 0.000 2.533 271 S HA 0.264 4.735 4.470 0.001 0.000 0.282 271 S C -1.341 173.250 174.600 -0.016 0.000 1.304 271 S CA -0.873 57.310 58.200 -0.028 0.000 1.063 271 S CB 0.737 63.927 63.200 -0.016 0.000 0.881 271 S HN 0.300 nan 8.310 nan 0.000 0.493 272 P HA 0.177 nan 4.420 nan 0.000 0.257 272 P C -0.408 176.893 177.300 0.001 0.000 1.281 272 P CA 0.160 63.254 63.100 -0.009 0.000 0.826 272 P CB 0.000 31.692 31.700 -0.013 0.000 1.237 273 N N 0.341 119.042 118.700 0.001 0.000 2.541 273 N HA 0.129 4.870 4.740 0.001 0.000 0.297 273 N C 0.859 176.382 175.510 0.021 0.000 1.503 273 N CA -0.221 52.835 53.050 0.011 0.000 0.919 273 N CB 0.598 39.084 38.487 -0.001 0.000 1.305 273 N HN 0.175 nan 8.380 nan 0.000 0.501 274 K N 0.581 120.997 120.400 0.028 0.000 2.211 274 K HA -0.071 4.249 4.320 0.001 0.000 0.203 274 K C 0.983 177.617 176.600 0.057 0.000 1.050 274 K CA 1.108 57.420 56.287 0.042 0.000 0.945 274 K CB 0.414 32.938 32.500 0.041 0.000 0.732 274 K HN 0.155 nan 8.250 nan 0.000 0.451 275 E N 1.061 121.295 120.200 0.056 0.000 2.051 275 E HA -0.070 4.281 4.350 0.001 0.000 0.189 275 E C 1.910 178.566 176.600 0.093 0.000 0.979 275 E CA 0.735 57.176 56.400 0.068 0.000 0.803 275 E CB -0.144 29.592 29.700 0.060 0.000 0.761 275 E HN 0.121 nan 8.360 nan 0.000 0.451 276 L N 0.566 121.851 121.223 0.104 0.000 2.079 276 L HA -0.203 4.137 4.340 0.001 0.000 0.210 276 L C 2.438 179.359 176.870 0.086 0.000 1.081 276 L CA 1.153 56.094 54.840 0.169 0.000 0.752 276 L CB -0.632 41.524 42.059 0.161 0.000 0.896 276 L HN 0.171 nan 8.230 nan 0.000 0.433 277 A N 0.319 123.158 122.820 0.031 0.000 1.898 277 A HA -0.244 4.077 4.320 0.001 0.000 0.216 277 A C 2.428 180.030 177.584 0.030 0.000 1.181 277 A CA 1.939 53.980 52.037 0.007 0.000 0.620 277 A CB -0.414 18.599 19.000 0.022 0.000 0.819 277 A HN 0.361 nan 8.150 nan 0.000 0.442 278 K N -0.547 119.882 120.400 0.047 0.000 2.057 278 K HA -0.173 4.148 4.320 0.001 0.000 0.207 278 K C 1.979 178.546 176.600 -0.055 0.000 1.049 278 K CA 1.459 57.748 56.287 0.003 0.000 0.931 278 K CB -0.151 32.395 32.500 0.077 0.000 0.714 278 K HN 0.379 nan 8.250 nan 0.000 0.440 279 E N 0.253 120.495 120.200 0.069 0.000 2.038 279 E HA -0.213 4.137 4.350 0.001 0.000 0.195 279 E C 1.837 178.565 176.600 0.214 0.000 1.000 279 E CA 1.320 57.829 56.400 0.181 0.000 0.803 279 E CB -0.349 29.552 29.700 0.335 0.000 0.750 279 E HN 0.352 nan 8.360 nan 0.000 0.448 280 F N 1.317 121.188 119.950 -0.131 0.000 2.095 280 F HA -0.208 4.320 4.527 0.001 0.000 0.298 280 F C 2.236 177.951 175.800 -0.142 0.000 1.104 280 F CA 1.369 59.121 58.000 -0.413 0.000 1.232 280 F CB -0.329 38.132 39.000 -0.897 0.000 0.987 280 F HN -0.057 nan 8.300 nan 0.000 0.475 281 L N -0.215 120.879 121.223 -0.215 0.000 2.044 281 L HA -0.149 4.192 4.340 0.001 0.000 0.205 281 L C 2.473 179.100 176.870 -0.406 0.000 1.075 281 L CA 1.598 56.207 54.840 -0.384 0.000 0.747 281 L CB -0.719 41.001 42.059 -0.565 0.000 0.903 281 L HN 0.150 nan 8.230 nan 0.000 0.435 282 E N -0.017 119.897 120.200 -0.476 0.000 2.046 282 E HA -0.129 4.221 4.350 0.001 0.000 0.190 282 E C 1.469 178.028 176.600 -0.068 0.000 0.982 282 E CA 0.991 57.101 56.400 -0.483 0.000 0.800 282 E CB 0.013 29.217 29.700 -0.826 0.000 0.756 282 E HN 0.430 nan 8.360 nan 0.000 0.449 283 N N -0.996 117.690 118.700 -0.024 0.000 2.299 283 N HA 0.028 4.768 4.740 0.001 0.000 0.187 283 N C 0.571 176.004 175.510 -0.127 0.000 1.099 283 N CA 0.565 53.622 53.050 0.012 0.000 0.867 283 N CB 0.408 38.947 38.487 0.086 0.000 0.974 283 N HN 0.191 nan 8.380 nan 0.000 0.477 284 Y N -0.654 119.557 120.300 -0.148 0.000 2.817 284 Y HA 0.216 4.767 4.550 0.001 0.000 0.257 284 Y C 1.699 177.409 175.900 -0.317 0.000 1.055 284 Y CA -0.269 57.711 58.100 -0.200 0.000 1.319 284 Y CB -0.309 38.030 38.460 -0.202 0.000 1.481 284 Y HN -0.138 nan 8.280 nan 0.000 0.471 285 L N 0.398 121.400 121.223 -0.367 0.000 2.007 285 L HA 0.045 4.385 4.340 0.001 0.000 0.205 285 L C 0.806 177.603 176.870 -0.122 0.000 1.073 285 L CA 1.835 56.495 54.840 -0.301 0.000 0.744 285 L CB -0.724 41.121 42.059 -0.356 0.000 0.898 285 L HN 0.122 nan 8.230 nan 0.000 0.435 286 L N 1.480 122.669 121.223 -0.057 0.000 2.650 286 L HA 0.162 4.503 4.340 0.001 0.000 0.239 286 L C -0.062 176.828 176.870 0.032 0.000 1.412 286 L CA -0.059 54.808 54.840 0.044 0.000 1.219 286 L CB -1.421 40.769 42.059 0.219 0.000 1.534 286 L HN 0.439 nan 8.230 nan 0.000 0.430 287 T N -6.318 108.204 114.554 -0.052 0.000 2.887 287 T HA 0.294 4.644 4.350 0.001 0.000 0.292 287 T C 0.607 175.211 174.700 -0.160 0.000 1.087 287 T CA -0.882 61.171 62.100 -0.078 0.000 1.009 287 T CB 1.928 70.737 68.868 -0.098 0.000 1.203 287 T HN -0.032 nan 8.240 nan 0.000 0.518 288 D N 0.638 120.944 120.400 -0.157 0.000 2.123 288 D HA -0.083 4.557 4.640 0.001 0.000 0.196 288 D C 1.764 177.800 176.300 -0.440 0.000 0.992 288 D CA 1.587 55.408 54.000 -0.297 0.000 0.833 288 D CB -0.066 40.691 40.800 -0.071 0.000 0.954 288 D HN 0.734 nan 8.370 nan 0.000 0.455 289 E N 0.256 120.317 120.200 -0.231 0.000 2.106 289 E HA -0.013 4.337 4.350 0.001 0.000 0.192 289 E C 2.196 178.692 176.600 -0.174 0.000 0.984 289 E CA 1.105 57.400 56.400 -0.175 0.000 0.806 289 E CB -0.568 29.072 29.700 -0.100 0.000 0.750 289 E HN 0.296 nan 8.360 nan 0.000 0.458 290 G N 0.872 109.572 108.800 -0.167 0.000 2.414 290 G HA2 -0.208 3.752 3.960 0.001 0.000 0.215 290 G HA3 -0.208 3.752 3.960 0.001 0.000 0.215 290 G C 1.537 176.350 174.900 -0.145 0.000 1.188 290 G CA 0.528 45.552 45.100 -0.126 0.000 0.783 290 G HN 0.129 nan 8.290 nan 0.000 0.537 291 L N 0.281 121.372 121.223 -0.221 0.000 2.131 291 L HA -0.033 4.308 4.340 0.001 0.000 0.210 291 L C 2.737 179.469 176.870 -0.229 0.000 1.092 291 L CA 1.369 56.093 54.840 -0.193 0.000 0.759 291 L CB -0.336 41.617 42.059 -0.176 0.000 0.903 291 L HN 0.393 nan 8.230 nan 0.000 0.435 292 E N 0.620 120.534 120.200 -0.477 0.000 2.051 292 E HA -0.253 4.097 4.350 0.001 0.000 0.192 292 E C 2.246 178.827 176.600 -0.031 0.000 0.991 292 E CA 1.263 57.529 56.400 -0.223 0.000 0.799 292 E CB 0.002 29.559 29.700 -0.238 0.000 0.748 292 E HN 0.440 nan 8.360 nan 0.000 0.449 293 A N 0.497 123.283 122.820 -0.056 0.000 1.908 293 A HA -0.158 4.162 4.320 0.001 0.000 0.218 293 A C 2.395 179.981 177.584 0.003 0.000 1.181 293 A CA 1.690 53.722 52.037 -0.009 0.000 0.627 293 A CB -0.661 18.337 19.000 -0.003 0.000 0.818 293 A HN 0.243 nan 8.150 nan 0.000 0.445 294 V N 0.288 120.199 119.914 -0.004 0.000 2.379 294 V HA -0.208 3.912 4.120 0.001 0.000 0.245 294 V C 2.343 178.455 176.094 0.029 0.000 1.044 294 V CA 2.177 64.477 62.300 -0.001 0.000 1.036 294 V CB -1.096 30.722 31.823 -0.008 0.000 0.664 294 V HN 0.737 nan 8.190 nan 0.000 0.453 295 N N 0.255 119.001 118.700 0.076 0.000 2.166 295 N HA -0.178 4.563 4.740 0.001 0.000 0.186 295 N C 1.804 177.387 175.510 0.120 0.000 1.019 295 N CA 1.291 54.421 53.050 0.133 0.000 0.856 295 N CB -0.133 38.505 38.487 0.251 0.000 0.993 295 N HN 0.394 nan 8.380 nan 0.000 0.426 296 K N -0.155 120.306 120.400 0.102 0.000 2.103 296 K HA -0.164 4.156 4.320 0.001 0.000 0.207 296 K C 1.322 177.955 176.600 0.055 0.000 1.048 296 K CA 1.358 57.696 56.287 0.084 0.000 0.930 296 K CB -0.140 32.400 32.500 0.066 0.000 0.716 296 K HN 0.301 nan 8.250 nan 0.000 0.444 297 D N 0.547 120.960 120.400 0.022 0.000 2.087 297 D HA -0.060 4.580 4.640 0.001 0.000 0.201 297 D C -0.056 176.240 176.300 -0.008 0.000 0.980 297 D CA 1.359 55.346 54.000 -0.023 0.000 0.849 297 D CB 0.393 41.143 40.800 -0.082 0.000 1.001 297 D HN -0.162 nan 8.370 nan 0.000 0.452 298 K N 0.440 120.841 120.400 0.002 0.000 2.507 298 K HA 0.394 4.714 4.320 0.001 0.000 0.251 298 K C -2.646 173.991 176.600 0.062 0.000 0.943 298 K CA -2.183 54.127 56.287 0.039 0.000 0.794 298 K CB 1.940 34.456 32.500 0.026 0.000 1.188 298 K HN -0.015 nan 8.250 nan 0.000 0.428 299 P HA 0.078 nan 4.420 nan 0.000 0.262 299 P C 0.600 177.898 177.300 -0.003 0.000 1.182 299 P CA 0.072 63.207 63.100 0.058 0.000 0.761 299 P CB 0.549 32.291 31.700 0.071 0.000 0.795 300 L N 2.006 123.265 121.223 0.061 0.000 2.418 300 L HA 0.152 4.492 4.340 0.001 0.000 0.218 300 L C 1.572 178.472 176.870 0.051 0.000 1.125 300 L CA 1.143 56.030 54.840 0.078 0.000 0.835 300 L CB -0.692 41.438 42.059 0.117 0.000 0.953 300 L HN 0.753 nan 8.230 nan 0.000 0.454 301 G N -0.045 108.758 108.800 0.004 0.000 2.578 301 G HA2 -0.203 3.757 3.960 0.001 0.000 0.232 301 G HA3 -0.203 3.757 3.960 0.001 0.000 0.232 301 G C -0.228 174.724 174.900 0.086 0.000 1.176 301 G CA -0.279 44.829 45.100 0.013 0.000 0.968 301 G HN 0.350 nan 8.290 nan 0.000 0.583 302 A N 0.841 123.707 122.820 0.075 0.000 2.506 302 A HA 0.720 5.040 4.320 0.001 0.000 0.320 302 A C 0.883 178.523 177.584 0.094 0.000 1.424 302 A CA 0.571 52.645 52.037 0.063 0.000 1.044 302 A CB -0.323 18.681 19.000 0.008 0.000 1.140 302 A HN 2.274 nan 8.150 nan 0.000 0.538 303 V N 0.577 120.569 119.914 0.131 0.000 2.872 303 V HA 0.366 4.487 4.120 0.001 0.000 0.307 303 V C 1.315 177.527 176.094 0.196 0.000 1.072 303 V CA 0.418 62.818 62.300 0.166 0.000 1.148 303 V CB 0.238 32.200 31.823 0.232 0.000 0.954 303 V HN 1.029 nan 8.190 nan 0.000 0.490 304 A N 3.640 126.546 122.820 0.144 0.000 1.969 304 A HA 0.099 4.419 4.320 0.001 0.000 0.218 304 A C 1.227 178.857 177.584 0.076 0.000 1.169 304 A CA 0.801 52.919 52.037 0.136 0.000 0.635 304 A CB -0.489 18.480 19.000 -0.052 0.000 0.810 304 A HN 1.039 nan 8.150 nan 0.000 0.445 305 L N 0.839 122.080 121.223 0.030 0.000 2.500 305 L HA 0.130 4.470 4.340 0.001 0.000 0.272 305 L C 1.106 177.948 176.870 -0.046 0.000 1.149 305 L CA 0.324 55.133 54.840 -0.052 0.000 0.897 305 L CB 0.270 42.330 42.059 0.003 0.000 1.178 305 L HN 0.275 nan 8.230 nan 0.000 0.473 306 K N 1.656 121.885 120.400 -0.284 0.000 2.063 306 K HA -0.196 4.125 4.320 0.001 0.000 0.208 306 K C 2.011 178.575 176.600 -0.061 0.000 1.048 306 K CA 1.843 57.916 56.287 -0.356 0.000 0.928 306 K CB -0.135 32.064 32.500 -0.502 0.000 0.713 306 K HN 0.917 nan 8.250 nan 0.000 0.442 307 S N 0.277 115.959 115.700 -0.031 0.000 2.356 307 S HA -0.217 4.254 4.470 0.001 0.000 0.223 307 S C 2.059 176.729 174.600 0.117 0.000 1.032 307 S CA 1.078 59.299 58.200 0.036 0.000 1.005 307 S CB -0.653 62.566 63.200 0.031 0.000 0.867 307 S HN 0.352 nan 8.310 nan 0.000 0.449 308 Y N 2.122 122.424 120.300 0.003 0.000 2.420 308 Y HA 0.193 4.743 4.550 0.000 0.000 0.292 308 Y C 2.606 178.539 175.900 0.055 0.000 1.119 308 Y CA 0.939 59.054 58.100 0.026 0.000 1.229 308 Y CB -0.270 38.205 38.460 0.024 0.000 1.026 308 Y HN 0.264 nan 8.280 nan 0.000 0.554 309 E N 0.845 121.097 120.200 0.087 0.000 2.072 309 E HA -0.215 4.135 4.350 0.001 0.000 0.191 309 E C 1.700 178.307 176.600 0.013 0.000 0.985 309 E CA 1.509 57.948 56.400 0.066 0.000 0.801 309 E CB 0.026 29.886 29.700 0.267 0.000 0.750 309 E HN 0.657 nan 8.360 nan 0.000 0.452 310 E N 0.351 120.577 120.200 0.043 0.000 2.110 310 E HA -0.198 4.153 4.350 0.001 0.000 0.193 310 E C 2.052 178.631 176.600 -0.036 0.000 0.988 310 E CA 1.021 57.433 56.400 0.020 0.000 0.804 310 E CB -0.095 29.627 29.700 0.036 0.000 0.745 310 E HN 0.324 nan 8.360 nan 0.000 0.458 311 E N 0.210 120.362 120.200 -0.080 0.000 2.150 311 E HA -0.178 4.173 4.350 0.001 0.000 0.193 311 E C 1.329 177.822 176.600 -0.178 0.000 0.985 311 E CA 0.687 57.015 56.400 -0.119 0.000 0.814 311 E CB 0.247 29.872 29.700 -0.125 0.000 0.752 311 E HN 0.086 nan 8.360 nan 0.000 0.466 312 L N -0.323 120.753 121.223 -0.245 0.000 2.616 312 L HA 0.254 4.594 4.340 0.001 0.000 0.229 312 L C 1.807 178.621 176.870 -0.094 0.000 1.110 312 L CA 0.648 55.368 54.840 -0.200 0.000 0.884 312 L CB 0.185 42.074 42.059 -0.283 0.000 1.115 312 L HN 0.093 nan 8.230 nan 0.000 0.481 313 A N -0.608 122.170 122.820 -0.069 0.000 2.121 313 A HA -0.147 4.174 4.320 0.001 0.000 0.218 313 A C 2.220 179.779 177.584 -0.041 0.000 1.154 313 A CA 1.057 53.070 52.037 -0.040 0.000 0.679 313 A CB -0.328 18.657 19.000 -0.024 0.000 0.795 313 A HN 0.346 nan 8.150 nan 0.000 0.458 314 K N 0.238 120.609 120.400 -0.048 0.000 2.097 314 K HA -0.105 4.215 4.320 0.001 0.000 0.206 314 K C 0.331 176.896 176.600 -0.059 0.000 1.049 314 K CA 0.661 56.919 56.287 -0.048 0.000 0.933 314 K CB -0.190 32.282 32.500 -0.047 0.000 0.717 314 K HN 0.404 nan 8.250 nan 0.000 0.442 315 D N 1.589 121.951 120.400 -0.064 0.000 2.570 315 D HA -0.055 4.586 4.640 0.001 0.000 0.243 315 D C -1.600 174.643 176.300 -0.095 0.000 1.171 315 D CA -1.181 52.769 54.000 -0.084 0.000 0.879 315 D CB 1.093 41.855 40.800 -0.063 0.000 1.143 315 D HN 0.026 nan 8.370 nan 0.000 0.511 316 P HA -0.077 nan 4.420 nan 0.000 0.223 316 P C 1.115 178.325 177.300 -0.149 0.000 1.151 316 P CA 0.716 63.744 63.100 -0.120 0.000 0.787 316 P CB 0.374 31.997 31.700 -0.129 0.000 0.788 317 R N -0.418 119.925 120.500 -0.262 0.000 2.075 317 R HA -0.019 4.322 4.340 0.001 0.000 0.232 317 R C 2.329 178.593 176.300 -0.060 0.000 1.126 317 R CA 1.040 56.898 56.100 -0.403 0.000 0.963 317 R CB -0.702 28.923 30.300 -1.126 0.000 0.858 317 R HN 0.154 nan 8.270 nan 0.000 0.435 318 I N 1.057 121.651 120.570 0.039 0.000 2.252 318 I HA -0.173 3.997 4.170 0.001 0.000 0.245 318 I C 2.542 178.701 176.117 0.070 0.000 1.102 318 I CA 1.236 62.635 61.300 0.166 0.000 1.385 318 I CB -1.404 36.664 38.000 0.113 0.000 1.064 318 I HN 0.141 nan 8.210 nan 0.000 0.414 319 A N 1.015 123.839 122.820 0.007 0.000 1.940 319 A HA -0.125 4.195 4.320 0.001 0.000 0.219 319 A C 2.561 180.143 177.584 -0.003 0.000 1.176 319 A CA 2.049 54.078 52.037 -0.013 0.000 0.631 319 A CB -0.674 18.306 19.000 -0.034 0.000 0.814 319 A HN 0.425 nan 8.150 nan 0.000 0.446 320 A N -1.147 121.677 122.820 0.007 0.000 1.929 320 A HA -0.008 4.313 4.320 0.001 0.000 0.216 320 A C 2.276 179.891 177.584 0.051 0.000 1.176 320 A CA 2.069 54.118 52.037 0.020 0.000 0.628 320 A CB -1.181 17.830 19.000 0.018 0.000 0.816 320 A HN 0.424 nan 8.150 nan 0.000 0.444 321 T N 0.392 115.008 114.554 0.103 0.000 2.665 321 T HA -0.181 4.169 4.350 0.001 0.000 0.268 321 T C 1.912 176.640 174.700 0.048 0.000 1.035 321 T CA 1.809 63.973 62.100 0.107 0.000 1.151 321 T CB -0.274 68.691 68.868 0.162 0.000 0.862 321 T HN 0.282 nan 8.240 nan 0.000 0.438 322 M N 0.896 120.510 119.600 0.022 0.000 2.254 322 M HA 0.044 4.524 4.480 0.001 0.000 0.265 322 M C 2.265 178.546 176.300 -0.032 0.000 1.066 322 M CA 1.085 56.370 55.300 -0.025 0.000 1.123 322 M CB -1.073 31.493 32.600 -0.056 0.000 1.388 322 M HN 0.392 nan 8.290 nan 0.000 0.425 323 E N 0.565 120.754 120.200 -0.017 0.000 2.077 323 E HA -0.194 4.157 4.350 0.001 0.000 0.193 323 E C 1.760 178.353 176.600 -0.011 0.000 0.989 323 E CA 1.181 57.569 56.400 -0.020 0.000 0.800 323 E CB 0.171 29.861 29.700 -0.017 0.000 0.746 323 E HN 0.423 nan 8.360 nan 0.000 0.452 324 N N 0.323 119.025 118.700 0.003 0.000 2.142 324 N HA -0.111 4.629 4.740 0.001 0.000 0.186 324 N C 1.714 177.238 175.510 0.022 0.000 1.023 324 N CA 1.203 54.260 53.050 0.012 0.000 0.852 324 N CB -0.356 38.142 38.487 0.018 0.000 0.998 324 N HN 0.239 nan 8.380 nan 0.000 0.424 325 A N 1.016 123.850 122.820 0.024 0.000 1.908 325 A HA -0.209 4.112 4.320 0.001 0.000 0.218 325 A C 2.249 179.838 177.584 0.009 0.000 1.181 325 A CA 1.488 53.547 52.037 0.036 0.000 0.627 325 A CB -0.612 18.398 19.000 0.016 0.000 0.818 325 A HN 0.198 nan 8.150 nan 0.000 0.445 326 Q N -0.099 119.683 119.800 -0.029 0.000 2.061 326 Q HA -0.125 4.215 4.340 0.001 0.000 0.204 326 Q C 1.917 177.912 176.000 -0.009 0.000 0.984 326 Q CA 2.118 57.896 55.803 -0.042 0.000 0.846 326 Q CB -0.220 28.487 28.738 -0.052 0.000 0.902 326 Q HN 0.703 nan 8.270 nan 0.000 0.421 327 K N -0.786 119.614 120.400 0.000 0.000 2.366 327 K HA 0.077 4.397 4.320 0.001 0.000 0.198 327 K C 0.946 177.558 176.600 0.020 0.000 1.044 327 K CA 0.538 56.828 56.287 0.006 0.000 0.973 327 K CB 0.097 32.598 32.500 0.002 0.000 0.767 327 K HN 0.220 nan 8.250 nan 0.000 0.475 328 G N 0.667 109.491 108.800 0.041 0.000 2.543 328 G HA2 0.215 4.176 3.960 0.001 0.000 0.267 328 G HA3 0.215 4.176 3.960 0.001 0.000 0.267 328 G C -0.997 173.966 174.900 0.105 0.000 1.406 328 G CA -0.269 44.869 45.100 0.063 0.000 1.048 328 G HN -0.011 nan 8.290 nan 0.000 0.548 329 E N -1.327 118.971 120.200 0.164 0.000 2.266 329 E HA 0.453 4.803 4.350 0.001 0.000 0.268 329 E C -0.547 176.318 176.600 0.440 0.000 0.879 329 E CA -0.736 55.817 56.400 0.255 0.000 0.762 329 E CB 2.130 31.970 29.700 0.234 0.000 1.199 329 E HN 0.384 nan 8.360 nan 0.000 0.422 330 I N 3.725 124.552 120.570 0.429 0.000 2.588 330 I HA 0.099 4.270 4.170 0.001 0.000 0.283 330 I C -0.009 176.420 176.117 0.519 0.000 1.119 330 I CA -0.170 61.418 61.300 0.481 0.000 1.419 330 I CB 0.371 38.592 38.000 0.367 0.000 1.394 330 I HN 0.576 nan 8.210 nan 0.000 0.562 331 M N 8.863 128.746 119.600 0.472 0.000 2.239 331 M HA 0.183 4.663 4.480 0.001 0.000 0.348 331 M C -2.142 174.228 176.300 0.116 0.000 1.239 331 M CA -1.259 54.061 55.300 0.033 0.000 1.114 331 M CB -0.025 32.437 32.600 -0.230 0.000 1.641 331 M HN 0.357 nan 8.290 nan 0.000 0.453 332 P HA 0.030 nan 4.420 nan 0.000 0.270 332 P C -0.415 176.804 177.300 -0.136 0.000 1.223 332 P CA -0.048 62.937 63.100 -0.192 0.000 0.785 332 P CB 0.343 31.607 31.700 -0.726 0.000 0.923 333 N N 1.197 119.899 118.700 0.003 0.000 2.234 333 N HA 0.049 4.790 4.740 0.001 0.000 0.227 333 N C 0.307 175.791 175.510 -0.043 0.000 1.151 333 N CA -0.315 52.734 53.050 -0.001 0.000 0.865 333 N CB -0.822 37.762 38.487 0.162 0.000 1.066 333 N HN 0.396 nan 8.380 nan 0.000 0.515 334 I N -2.671 117.854 120.570 -0.075 0.000 2.836 334 I HA 0.268 4.439 4.170 0.001 0.000 0.285 334 I C -1.534 174.492 176.117 -0.152 0.000 1.174 334 I CA -1.608 59.661 61.300 -0.051 0.000 1.405 334 I CB 0.466 38.377 38.000 -0.147 0.000 1.385 334 I HN -0.285 nan 8.210 nan 0.000 0.594 335 P HA -0.165 nan 4.420 nan 0.000 0.218 335 P C 0.953 178.183 177.300 -0.118 0.000 1.146 335 P CA 1.389 64.404 63.100 -0.141 0.000 0.813 335 P CB 0.025 31.673 31.700 -0.086 0.000 0.778 336 Q N -2.065 117.634 119.800 -0.168 0.000 2.482 336 Q HA 0.053 4.393 4.340 0.001 0.000 0.209 336 Q C 1.828 177.831 176.000 0.005 0.000 0.961 336 Q CA 0.723 56.443 55.803 -0.139 0.000 0.945 336 Q CB -0.689 27.836 28.738 -0.355 0.000 1.012 336 Q HN 0.213 nan 8.270 nan 0.000 0.515 337 M N -0.285 119.292 119.600 -0.037 0.000 2.117 337 M HA -0.129 4.352 4.480 0.001 0.000 0.262 337 M C 2.038 178.446 176.300 0.180 0.000 1.065 337 M CA 1.766 57.091 55.300 0.042 0.000 1.114 337 M CB -1.100 31.460 32.600 -0.066 0.000 1.361 337 M HN 0.329 nan 8.290 nan 0.000 0.408 338 S N 0.566 116.368 115.700 0.170 0.000 2.382 338 S HA -0.067 4.403 4.470 0.001 0.000 0.228 338 S C 2.116 176.857 174.600 0.235 0.000 1.027 338 S CA 1.216 59.556 58.200 0.233 0.000 0.991 338 S CB -0.765 62.491 63.200 0.093 0.000 0.823 338 S HN 0.443 nan 8.310 nan 0.000 0.469 339 A N 1.469 124.400 122.820 0.184 0.000 1.902 339 A HA 0.069 4.389 4.320 0.001 0.000 0.217 339 A C 1.949 179.682 177.584 0.248 0.000 1.181 339 A CA 1.415 53.573 52.037 0.202 0.000 0.623 339 A CB -1.075 18.022 19.000 0.162 0.000 0.818 339 A HN 0.600 nan 8.150 nan 0.000 0.443 340 F N -0.799 119.202 119.950 0.084 0.000 2.095 340 F HA -0.193 4.334 4.527 0.001 0.000 0.298 340 F C 1.987 177.703 175.800 -0.141 0.000 1.104 340 F CA 1.723 59.651 58.000 -0.120 0.000 1.232 340 F CB -0.522 38.287 39.000 -0.318 0.000 0.987 340 F HN 0.392 nan 8.300 nan 0.000 0.475 341 W N -1.102 120.110 121.300 -0.146 0.000 2.381 341 W HA -0.192 4.469 4.660 0.001 0.000 0.301 341 W C 2.502 178.927 176.519 -0.157 0.000 1.205 341 W CA 1.224 58.417 57.345 -0.253 0.000 1.285 341 W CB -0.953 28.497 29.460 -0.017 0.000 1.133 341 W HN 0.212 nan 8.180 nan 0.000 0.521 342 Y N 1.330 121.699 120.300 0.115 0.000 2.128 342 Y HA -0.285 4.265 4.550 0.001 0.000 0.284 342 Y C 2.292 178.190 175.900 -0.003 0.000 1.154 342 Y CA 2.254 60.385 58.100 0.052 0.000 1.149 342 Y CB -0.889 37.596 38.460 0.042 0.000 0.976 342 Y HN -0.088 nan 8.280 nan 0.000 0.505 343 A N -0.309 122.484 122.820 -0.046 0.000 1.865 343 A HA -0.177 4.144 4.320 0.001 0.000 0.217 343 A C 2.318 179.758 177.584 -0.240 0.000 1.191 343 A CA 2.394 54.347 52.037 -0.140 0.000 0.623 343 A CB -1.368 17.616 19.000 -0.026 0.000 0.826 343 A HN 0.357 nan 8.150 nan 0.000 0.444 344 V N 0.040 119.776 119.914 -0.296 0.000 2.358 344 V HA -0.209 3.911 4.120 0.001 0.000 0.246 344 V C 2.621 178.668 176.094 -0.079 0.000 1.047 344 V CA 2.012 64.193 62.300 -0.198 0.000 1.035 344 V CB -0.864 30.763 31.823 -0.327 0.000 0.658 344 V HN 0.608 nan 8.190 nan 0.000 0.452 345 R N 0.235 120.691 120.500 -0.073 0.000 2.094 345 R HA -0.206 4.134 4.340 0.001 0.000 0.239 345 R C 2.356 178.584 176.300 -0.121 0.000 1.137 345 R CA 2.427 58.503 56.100 -0.040 0.000 0.943 345 R CB -0.649 29.630 30.300 -0.035 0.000 0.850 345 R HN 0.547 nan 8.270 nan 0.000 0.433 346 T N 0.772 115.156 114.554 -0.284 0.000 2.708 346 T HA -0.113 4.238 4.350 0.001 0.000 0.266 346 T C 1.862 176.476 174.700 -0.144 0.000 1.037 346 T CA 1.417 63.349 62.100 -0.281 0.000 1.146 346 T CB -0.363 68.189 68.868 -0.528 0.000 0.865 346 T HN 0.471 nan 8.240 nan 0.000 0.435 347 A N 1.094 123.840 122.820 -0.125 0.000 1.865 347 A HA -0.087 4.233 4.320 0.001 0.000 0.217 347 A C 2.616 180.183 177.584 -0.030 0.000 1.191 347 A CA 1.648 53.649 52.037 -0.059 0.000 0.623 347 A CB -1.154 17.820 19.000 -0.043 0.000 0.826 347 A HN 0.346 nan 8.150 nan 0.000 0.444 348 V N 0.173 120.080 119.914 -0.012 0.000 2.343 348 V HA -0.271 3.850 4.120 0.001 0.000 0.247 348 V C 2.439 178.530 176.094 -0.004 0.000 1.051 348 V CA 2.010 64.317 62.300 0.012 0.000 1.036 348 V CB -0.677 31.182 31.823 0.060 0.000 0.654 348 V HN 0.567 nan 8.190 nan 0.000 0.451 349 I N 0.534 121.096 120.570 -0.015 0.000 2.163 349 I HA -0.247 3.923 4.170 0.001 0.000 0.243 349 I C 2.331 178.434 176.117 -0.024 0.000 1.085 349 I CA 1.615 62.903 61.300 -0.021 0.000 1.347 349 I CB -0.460 37.523 38.000 -0.027 0.000 1.044 349 I HN 0.381 nan 8.210 nan 0.000 0.408 350 N N 0.946 119.630 118.700 -0.027 0.000 2.216 350 N HA -0.072 4.669 4.740 0.001 0.000 0.183 350 N C 1.830 177.328 175.510 -0.019 0.000 1.017 350 N CA 1.427 54.464 53.050 -0.022 0.000 0.861 350 N CB -0.354 38.121 38.487 -0.021 0.000 0.986 350 N HN 0.336 nan 8.380 nan 0.000 0.428 351 A N 0.969 123.778 122.820 -0.019 0.000 1.873 351 A HA 0.092 4.412 4.320 0.001 0.000 0.215 351 A C 2.316 179.886 177.584 -0.022 0.000 1.186 351 A CA 1.789 53.815 52.037 -0.018 0.000 0.616 351 A CB -0.903 18.088 19.000 -0.015 0.000 0.823 351 A HN 0.279 nan 8.150 nan 0.000 0.442 352 A N 0.307 123.113 122.820 -0.023 0.000 1.972 352 A HA -0.078 4.243 4.320 0.001 0.000 0.219 352 A C 2.379 179.944 177.584 -0.032 0.000 1.169 352 A CA 2.216 54.236 52.037 -0.030 0.000 0.635 352 A CB -0.821 18.160 19.000 -0.031 0.000 0.810 352 A HN 1.008 nan 8.150 nan 0.000 0.446 353 S N -1.992 113.691 115.700 -0.027 0.000 2.527 353 S HA 0.344 4.815 4.470 0.001 0.000 0.222 353 S C 1.489 176.074 174.600 -0.025 0.000 0.985 353 S CA 1.071 59.255 58.200 -0.027 0.000 0.921 353 S CB -0.383 62.803 63.200 -0.023 0.000 0.772 353 S HN 1.908 nan 8.310 nan 0.000 0.529 354 G N 1.721 110.506 108.800 -0.024 0.000 2.148 354 G HA2 -0.353 3.607 3.960 0.001 0.000 0.254 354 G HA3 -0.353 3.607 3.960 0.001 0.000 0.254 354 G C 0.751 175.640 174.900 -0.020 0.000 0.981 354 G CA 0.466 45.553 45.100 -0.022 0.000 0.670 354 G HN 0.570 nan 8.290 nan 0.000 0.528 355 R N -0.649 119.840 120.500 -0.018 0.000 2.193 355 R HA 0.211 4.551 4.340 0.001 0.000 0.213 355 R C 1.049 177.339 176.300 -0.016 0.000 1.055 355 R CA 1.684 57.775 56.100 -0.016 0.000 0.995 355 R CB 0.083 30.375 30.300 -0.013 0.000 0.893 355 R HN 0.464 nan 8.270 nan 0.000 0.459 356 Q N -0.544 119.247 119.800 -0.015 0.000 2.416 356 Q HA 0.184 4.524 4.340 0.001 0.000 0.281 356 Q C -1.207 174.785 176.000 -0.013 0.000 1.067 356 Q CA -0.716 55.079 55.803 -0.014 0.000 0.809 356 Q CB 2.059 30.790 28.738 -0.011 0.000 1.418 356 Q HN 0.136 nan 8.270 nan 0.000 0.411 357 T N -1.420 113.128 114.554 -0.010 0.000 2.813 357 T HA 0.238 4.588 4.350 0.001 0.000 0.297 357 T C 1.043 175.740 174.700 -0.006 0.000 1.036 357 T CA -0.171 61.925 62.100 -0.008 0.000 1.044 357 T CB 0.526 69.391 68.868 -0.004 0.000 0.993 357 T HN 0.368 nan 8.240 nan 0.000 0.535 358 V N 1.015 120.926 119.914 -0.004 0.000 2.343 358 V HA -0.129 3.991 4.120 0.001 0.000 0.247 358 V C 2.702 178.796 176.094 0.001 0.000 1.051 358 V CA 2.124 64.421 62.300 -0.004 0.000 1.036 358 V CB -0.841 30.980 31.823 -0.003 0.000 0.654 358 V HN 1.030 nan 8.190 nan 0.000 0.451 359 D N 0.279 120.681 120.400 0.004 0.000 2.097 359 D HA -0.157 4.483 4.640 0.001 0.000 0.195 359 D C 2.172 178.478 176.300 0.010 0.000 0.989 359 D CA 1.745 55.750 54.000 0.009 0.000 0.827 359 D CB 0.164 40.970 40.800 0.011 0.000 0.966 359 D HN 0.398 nan 8.370 nan 0.000 0.456 360 A N 0.837 123.662 122.820 0.008 0.000 1.930 360 A HA 0.049 4.369 4.320 0.001 0.000 0.217 360 A C 2.364 179.954 177.584 0.010 0.000 1.175 360 A CA 2.000 54.043 52.037 0.010 0.000 0.627 360 A CB -0.620 18.382 19.000 0.004 0.000 0.815 360 A HN 0.314 nan 8.150 nan 0.000 0.443 361 A N -0.231 122.591 122.820 0.003 0.000 1.873 361 A HA -0.009 4.311 4.320 0.001 0.000 0.215 361 A C 2.155 179.739 177.584 0.001 0.000 1.186 361 A CA 1.469 53.505 52.037 -0.001 0.000 0.616 361 A CB -0.536 18.459 19.000 -0.008 0.000 0.823 361 A HN 0.454 nan 8.150 nan 0.000 0.442 362 L N -1.014 120.211 121.223 0.004 0.000 2.109 362 L HA -0.097 4.243 4.340 0.001 0.000 0.207 362 L C 3.085 179.963 176.870 0.014 0.000 1.086 362 L CA 0.776 55.620 54.840 0.007 0.000 0.760 362 L CB -0.535 41.528 42.059 0.006 0.000 0.910 362 L HN 0.445 nan 8.230 nan 0.000 0.437 363 A N 0.388 123.220 122.820 0.020 0.000 1.883 363 A HA -0.225 4.095 4.320 0.001 0.000 0.217 363 A C 2.512 180.121 177.584 0.041 0.000 1.186 363 A CA 1.921 53.977 52.037 0.033 0.000 0.624 363 A CB -0.692 18.329 19.000 0.037 0.000 0.822 363 A HN 0.400 nan 8.150 nan 0.000 0.444 364 A N -0.379 122.463 122.820 0.037 0.000 1.969 364 A HA 0.209 4.529 4.320 0.001 0.000 0.218 364 A C 2.468 180.078 177.584 0.044 0.000 1.169 364 A CA 1.912 53.977 52.037 0.046 0.000 0.635 364 A CB -0.909 18.116 19.000 0.042 0.000 0.810 364 A HN 1.053 nan 8.150 nan 0.000 0.445 365 A N -0.304 122.529 122.820 0.022 0.000 1.902 365 A HA -0.201 4.120 4.320 0.001 0.000 0.217 365 A C 2.146 179.747 177.584 0.027 0.000 1.181 365 A CA 2.159 54.200 52.037 0.008 0.000 0.623 365 A CB -0.584 18.402 19.000 -0.023 0.000 0.818 365 A HN 0.617 nan 8.150 nan 0.000 0.443 366 Q N 0.019 119.836 119.800 0.029 0.000 2.045 366 Q HA -0.179 4.161 4.340 0.001 0.000 0.206 366 Q C 1.892 177.931 176.000 0.066 0.000 0.991 366 Q CA 3.104 58.931 55.803 0.040 0.000 0.851 366 Q CB -1.213 27.548 28.738 0.038 0.000 0.911 366 Q HN 0.513 nan 8.270 nan 0.000 0.418 367 T N 1.001 115.594 114.554 0.065 0.000 2.708 367 T HA -0.108 4.243 4.350 0.001 0.000 0.266 367 T C 1.611 176.353 174.700 0.070 0.000 1.037 367 T CA 1.252 63.387 62.100 0.060 0.000 1.146 367 T CB -0.435 68.465 68.868 0.052 0.000 0.865 367 T HN 0.339 nan 8.240 nan 0.000 0.435 368 N N 1.371 120.126 118.700 0.091 0.000 2.069 368 N HA -0.032 4.709 4.740 0.001 0.000 0.191 368 N C 2.110 177.708 175.510 0.147 0.000 1.031 368 N CA 1.516 54.646 53.050 0.133 0.000 0.852 368 N CB -0.618 37.988 38.487 0.199 0.000 1.018 368 N HN 0.435 nan 8.380 nan 0.000 0.423 369 A N 0.408 123.316 122.820 0.146 0.000 1.930 369 A HA 0.074 4.394 4.320 0.001 0.000 0.217 369 A C 2.268 180.009 177.584 0.262 0.000 1.175 369 A CA 1.891 54.054 52.037 0.210 0.000 0.627 369 A CB -0.623 18.474 19.000 0.160 0.000 0.815 369 A HN 0.342 nan 8.150 nan 0.000 0.443 370 A N -1.237 121.699 122.820 0.193 0.000 1.935 370 A HA 0.448 4.768 4.320 0.001 0.000 0.214 370 A C 2.071 179.717 177.584 0.103 0.000 1.178 370 A CA 1.717 53.864 52.037 0.183 0.000 0.640 370 A CB -0.343 18.742 19.000 0.142 0.000 0.825 370 A HN 1.136 nan 8.150 nan 0.000 0.447 371 A N -1.696 121.163 122.820 0.065 0.000 2.498 371 A HA 0.559 4.879 4.320 0.001 0.000 0.238 371 A C 0.114 177.706 177.584 0.014 0.000 1.225 371 A CA 0.234 52.279 52.037 0.013 0.000 0.978 371 A CB 0.611 19.584 19.000 -0.045 0.000 1.142 371 A HN 0.285 nan 8.150 nan 0.000 0.552 372 V N 0.265 120.202 119.914 0.037 0.000 2.680 372 V HA 0.494 4.614 4.120 0.001 0.000 0.309 372 V C -0.501 175.590 176.094 -0.005 0.000 1.052 372 V CA -0.723 61.587 62.300 0.017 0.000 0.908 372 V CB 1.933 33.771 31.823 0.024 0.000 1.001 372 V HN 0.308 nan 8.190 nan 0.000 0.431 373 K N 2.411 122.783 120.400 -0.046 0.000 2.545 373 K HA 0.715 5.036 4.320 0.001 0.000 0.252 373 K C -1.672 174.834 176.600 -0.157 0.000 0.948 373 K CA -0.423 55.811 56.287 -0.088 0.000 0.827 373 K CB 2.063 34.536 32.500 -0.045 0.000 1.128 373 K HN 0.513 nan 8.250 nan 0.000 0.429 374 V N 3.330 123.061 119.914 -0.306 0.000 2.435 374 V HA 0.353 4.474 4.120 0.001 0.000 0.290 374 V C -0.449 175.508 176.094 -0.228 0.000 1.030 374 V CA -0.671 61.427 62.300 -0.337 0.000 0.881 374 V CB 1.465 32.890 31.823 -0.663 0.000 0.983 374 V HN 0.771 nan 8.190 nan 0.000 0.445 375 E N 3.273 123.393 120.200 -0.133 0.000 2.216 375 E HA 0.443 4.794 4.350 0.001 0.000 0.260 375 E C -1.501 175.066 176.600 -0.055 0.000 0.880 375 E CA -0.504 55.845 56.400 -0.085 0.000 0.765 375 E CB 1.433 31.100 29.700 -0.056 0.000 1.174 375 E HN 0.761 nan 8.360 nan 0.000 0.417 376 c N 6.122 124.690 118.600 -0.053 0.000 2.255 376 c HA 0.513 5.083 4.570 0.001 0.000 0.326 376 c C 0.223 174.351 174.090 0.064 0.000 1.258 376 c CA -0.642 55.685 56.329 -0.003 0.000 1.676 376 c CB -1.053 41.378 42.510 -0.132 0.000 2.314 376 c HN 0.643 nan 8.230 nan 0.000 0.509 377 L N 1.772 123.059 121.223 0.108 0.000 2.341 377 L HA 0.453 4.794 4.340 0.001 0.000 0.267 377 L C 1.571 178.505 176.870 0.106 0.000 1.022 377 L CA -0.713 54.179 54.840 0.088 0.000 0.844 377 L CB 0.339 42.411 42.059 0.022 0.000 1.436 377 L HN 0.603 nan 8.230 nan 0.000 0.483 378 E N 0.626 120.837 120.200 0.017 0.000 2.028 378 E HA -0.273 4.078 4.350 0.001 0.000 0.217 378 E C 1.183 177.653 176.600 -0.215 0.000 1.039 378 E CA 2.132 58.485 56.400 -0.078 0.000 0.882 378 E CB -0.123 29.533 29.700 -0.073 0.000 0.794 378 E HN 0.683 nan 8.360 nan 0.000 0.488 379 A N 0.150 122.871 122.820 -0.164 0.000 2.465 379 A HA 0.151 4.471 4.320 0.001 0.000 0.255 379 A C 0.229 177.736 177.584 -0.129 0.000 1.274 379 A CA -0.167 51.750 52.037 -0.200 0.000 0.920 379 A CB 0.403 19.313 19.000 -0.150 0.000 1.033 379 A HN 0.157 nan 8.150 nan 0.000 0.516 380 E N -0.510 119.646 120.200 -0.074 0.000 2.312 380 E HA 0.602 4.952 4.350 0.001 0.000 0.267 380 E C -2.026 174.575 176.600 0.002 0.000 0.894 380 E CA -0.752 55.629 56.400 -0.032 0.000 0.773 380 E CB 1.956 31.641 29.700 -0.024 0.000 1.241 380 E HN 0.210 nan 8.360 nan 0.000 0.432 381 L N 2.610 123.834 121.223 0.003 0.000 2.408 381 L HA 0.513 4.854 4.340 0.001 0.000 0.268 381 L C -1.857 175.019 176.870 0.010 0.000 0.986 381 L CA -0.667 54.179 54.840 0.009 0.000 0.820 381 L CB 1.953 44.015 42.059 0.005 0.000 1.303 381 L HN 0.283 nan 8.230 nan 0.000 0.411 382 V N 5.182 125.096 119.914 0.000 0.000 2.444 382 V HA 0.614 4.734 4.120 0.001 0.000 0.294 382 V C -0.639 175.457 176.094 0.005 0.000 1.022 382 V CA -0.677 61.632 62.300 0.015 0.000 0.850 382 V CB 1.754 33.577 31.823 -0.000 0.000 0.992 382 V HN 0.538 nan 8.190 nan 0.000 0.426 383 V N 3.592 123.544 119.914 0.063 0.000 2.409 383 V HA 0.517 4.637 4.120 0.001 0.000 0.291 383 V C 0.132 176.308 176.094 0.138 0.000 1.020 383 V CA -0.287 62.045 62.300 0.053 0.000 0.848 383 V CB 1.991 33.817 31.823 0.005 0.000 0.990 383 V HN 0.927 nan 8.190 nan 0.000 0.430 384 T N 4.541 119.132 114.554 0.062 0.000 2.770 384 T HA 0.593 4.943 4.350 0.001 0.000 0.283 384 T C -0.324 174.410 174.700 0.058 0.000 0.988 384 T CA -0.399 61.739 62.100 0.063 0.000 0.957 384 T CB 1.484 70.360 68.868 0.014 0.000 0.930 384 T HN 0.357 nan 8.240 nan 0.000 0.443 385 V N 2.668 122.636 119.914 0.090 0.000 2.459 385 V HA 0.465 4.585 4.120 0.001 0.000 0.295 385 V C 0.552 176.654 176.094 0.013 0.000 1.029 385 V CA -0.925 61.411 62.300 0.059 0.000 0.874 385 V CB 1.846 33.738 31.823 0.115 0.000 0.985 385 V HN 0.915 nan 8.190 nan 0.000 0.438 386 S N 3.730 119.419 115.700 -0.018 0.000 2.516 386 S HA 0.187 4.657 4.470 0.001 0.000 0.282 386 S C 1.353 175.910 174.600 -0.073 0.000 1.286 386 S CA -0.272 57.906 58.200 -0.037 0.000 1.066 386 S CB 0.227 63.406 63.200 -0.035 0.000 0.884 386 S HN 0.708 nan 8.310 nan 0.000 0.491 387 R N 2.753 123.219 120.500 -0.056 0.000 2.115 387 R HA -0.052 4.288 4.340 0.001 0.000 0.230 387 R C 0.339 176.582 176.300 -0.095 0.000 1.111 387 R CA 1.067 57.126 56.100 -0.069 0.000 0.976 387 R CB -0.167 30.115 30.300 -0.029 0.000 0.870 387 R HN 0.608 nan 8.270 nan 0.000 0.445 388 D N 1.068 121.428 120.400 -0.067 0.000 2.600 388 D HA -0.022 4.618 4.640 0.001 0.000 0.226 388 D C 0.827 177.048 176.300 -0.132 0.000 1.119 388 D CA -0.093 53.874 54.000 -0.054 0.000 1.051 388 D CB 0.344 41.140 40.800 -0.007 0.000 1.106 388 D HN -0.066 nan 8.370 nan 0.000 0.491 389 L N 2.176 123.202 121.223 -0.328 0.000 2.109 389 L HA 0.044 4.384 4.340 0.001 0.000 0.207 389 L C 1.041 177.586 176.870 -0.542 0.000 1.086 389 L CA 1.701 56.200 54.840 -0.567 0.000 0.760 389 L CB -0.349 41.099 42.059 -1.020 0.000 0.910 389 L HN 0.326 nan 8.230 nan 0.000 0.437 390 F N -0.971 118.973 119.950 -0.008 0.000 2.656 390 F HA 0.430 4.957 4.527 0.001 0.000 0.291 390 F C 1.969 177.788 175.800 0.031 0.000 1.122 390 F CA 0.464 58.475 58.000 0.017 0.000 1.427 390 F CB -0.428 38.583 39.000 0.019 0.000 1.125 390 F HN 0.098 nan 8.300 nan 0.000 0.583 391 G N -0.323 108.573 108.800 0.160 0.000 2.179 391 G HA2 -0.286 3.674 3.960 0.001 0.000 0.220 391 G HA3 -0.286 3.674 3.960 0.001 0.000 0.220 391 G C 1.084 176.055 174.900 0.119 0.000 0.990 391 G CA 0.518 45.690 45.100 0.119 0.000 0.646 391 G HN 0.243 nan 8.290 nan 0.000 0.517 392 T N 0.132 114.782 114.554 0.159 0.000 2.915 392 T HA 0.310 4.661 4.350 0.001 0.000 0.269 392 T C 2.459 177.211 174.700 0.087 0.000 1.071 392 T CA 2.312 64.484 62.100 0.120 0.000 1.132 392 T CB -0.257 68.692 68.868 0.136 0.000 0.878 392 T HN 2.068 nan 8.240 nan 0.000 0.479 393 G N 1.255 110.106 108.800 0.086 0.000 2.194 393 G HA2 -0.245 3.716 3.960 0.001 0.000 0.236 393 G HA3 -0.245 3.716 3.960 0.001 0.000 0.236 393 G C 0.146 175.085 174.900 0.065 0.000 0.987 393 G CA 0.085 45.221 45.100 0.061 0.000 0.635 393 G HN 0.582 nan 8.290 nan 0.000 0.520 394 K N 1.327 121.784 120.400 0.095 0.000 2.316 394 K HA 0.570 4.891 4.320 0.001 0.000 0.289 394 K C 0.584 177.246 176.600 0.104 0.000 1.070 394 K CA -0.614 55.734 56.287 0.102 0.000 0.928 394 K CB 0.082 32.657 32.500 0.125 0.000 1.039 394 K HN 0.249 nan 8.250 nan 0.000 0.480 395 L N 5.652 126.917 121.223 0.069 0.000 2.331 395 L HA 0.195 4.535 4.340 0.001 0.000 0.278 395 L C 0.502 177.409 176.870 0.061 0.000 1.106 395 L CA -0.981 53.885 54.840 0.042 0.000 0.824 395 L CB 1.008 43.084 42.059 0.028 0.000 1.142 395 L HN 0.447 nan 8.230 nan 0.000 0.443 396 V N 1.228 121.155 119.914 0.021 0.000 2.924 396 V HA 0.201 4.321 4.120 0.001 0.000 0.305 396 V C 0.077 176.229 176.094 0.096 0.000 1.073 396 V CA -0.694 61.647 62.300 0.068 0.000 1.098 396 V CB 0.722 32.473 31.823 -0.120 0.000 1.000 396 V HN 0.818 nan 8.190 nan 0.000 0.484 397 Q N 3.978 123.874 119.800 0.159 0.000 2.235 397 Q HA 0.364 4.705 4.340 0.001 0.000 0.250 397 Q C -1.621 174.452 176.000 0.123 0.000 0.909 397 Q CA -1.809 54.061 55.803 0.112 0.000 0.910 397 Q CB 1.779 30.578 28.738 0.101 0.000 1.223 397 Q HN 0.629 nan 8.270 nan 0.000 0.432 398 P HA -0.171 nan 4.420 nan 0.000 0.218 398 P C 0.994 178.351 177.300 0.096 0.000 1.149 398 P CA 1.345 64.479 63.100 0.056 0.000 0.817 398 P CB 0.120 31.802 31.700 -0.030 0.000 0.785 399 G N 0.201 109.046 108.800 0.076 0.000 2.470 399 G HA2 -0.187 3.773 3.960 0.001 0.000 0.220 399 G HA3 -0.187 3.773 3.960 0.001 0.000 0.220 399 G C 1.027 175.981 174.900 0.090 0.000 1.121 399 G CA 0.516 45.661 45.100 0.075 0.000 0.766 399 G HN 0.196 nan 8.290 nan 0.000 0.553 400 D N -0.144 120.324 120.400 0.112 0.000 2.340 400 D HA 0.127 4.768 4.640 0.001 0.000 0.220 400 D C 0.758 177.139 176.300 0.135 0.000 1.039 400 D CA 0.132 54.174 54.000 0.070 0.000 0.866 400 D CB 0.473 41.292 40.800 0.033 0.000 0.913 400 D HN 0.235 nan 8.370 nan 0.000 0.523 401 L N 0.381 121.751 121.223 0.244 0.000 2.307 401 L HA 0.385 4.725 4.340 0.001 0.000 0.284 401 L C -0.098 176.934 176.870 0.269 0.000 1.023 401 L CA -0.128 54.894 54.840 0.303 0.000 0.810 401 L CB 2.012 44.340 42.059 0.447 0.000 1.231 401 L HN -0.308 nan 8.230 nan 0.000 0.423 402 T N 3.671 118.291 114.554 0.111 0.000 2.921 402 T HA 0.434 4.784 4.350 0.001 0.000 0.297 402 T C -0.986 173.596 174.700 -0.197 0.000 1.013 402 T CA -0.432 61.684 62.100 0.027 0.000 0.990 402 T CB 2.034 70.940 68.868 0.063 0.000 1.023 402 T HN 0.199 nan 8.240 nan 0.000 0.447 403 L N 3.671 124.691 121.223 -0.339 0.000 2.282 403 L HA 0.716 5.057 4.340 0.001 0.000 0.288 403 L C 0.822 177.417 176.870 -0.459 0.000 1.033 403 L CA 1.092 55.636 54.840 -0.494 0.000 0.807 403 L CB 0.082 41.783 42.059 -0.596 0.000 1.209 403 L HN 1.006 nan 8.230 nan 0.000 0.423 404 G N 3.428 111.724 108.800 -0.841 0.000 2.601 404 G HA2 -0.258 3.702 3.960 0.001 0.000 0.261 404 G HA3 -0.258 3.702 3.960 0.001 0.000 0.261 404 G C -0.073 174.449 174.900 -0.630 0.000 1.289 404 G CA 0.035 44.503 45.100 -1.053 0.000 0.920 404 G HN 1.234 nan 8.290 nan 0.000 0.571 405 S N -1.084 114.467 115.700 -0.248 0.000 2.666 405 S HA 0.597 5.067 4.470 0.001 0.000 0.279 405 S C 1.176 175.772 174.600 -0.006 0.000 1.149 405 S CA 0.778 58.988 58.200 0.016 0.000 1.020 405 S CB 1.404 64.657 63.200 0.088 0.000 1.127 405 S HN 0.777 nan 8.310 nan 0.000 0.537 406 E N 0.653 120.871 120.200 0.031 0.000 2.153 406 E HA 0.081 4.431 4.350 0.001 0.000 0.194 406 E C 2.000 178.607 176.600 0.013 0.000 0.988 406 E CA 1.337 57.752 56.400 0.025 0.000 0.811 406 E CB -0.935 28.785 29.700 0.033 0.000 0.746 406 E HN 0.801 nan 8.360 nan 0.000 0.466 407 G N -0.136 108.668 108.800 0.006 0.000 2.484 407 G HA2 -0.201 3.759 3.960 0.001 0.000 0.218 407 G HA3 -0.201 3.759 3.960 0.001 0.000 0.218 407 G C 0.468 175.365 174.900 -0.005 0.000 1.130 407 G CA 0.317 45.418 45.100 0.003 0.000 0.784 407 G HN 0.389 nan 8.290 nan 0.000 0.543 408 c N 1.659 120.243 118.600 -0.025 0.000 2.540 408 c HA 0.532 5.102 4.570 0.001 0.000 0.377 408 c C 0.341 174.429 174.090 -0.003 0.000 1.274 408 c CA -0.630 55.679 56.329 -0.034 0.000 1.718 408 c CB -1.029 41.424 42.510 -0.095 0.000 2.391 408 c HN 0.483 nan 8.230 nan 0.000 0.565 409 Q N 6.846 126.655 119.800 0.016 0.000 2.849 409 Q HA 0.306 4.646 4.340 0.001 0.000 0.289 409 Q C -2.078 173.950 176.000 0.045 0.000 1.012 409 Q CA -1.132 54.691 55.803 0.033 0.000 0.899 409 Q CB 1.121 29.874 28.738 0.025 0.000 1.235 409 Q HN 0.695 nan 8.270 nan 0.000 0.457 410 P HA 0.106 nan 4.420 nan 0.000 0.276 410 P C -0.546 176.791 177.300 0.062 0.000 1.252 410 P CA -0.561 62.596 63.100 0.096 0.000 0.802 410 P CB 1.016 32.842 31.700 0.210 0.000 1.035 411 R N 0.669 121.186 120.500 0.028 0.000 2.389 411 R HA 0.339 4.680 4.340 0.001 0.000 0.295 411 R C -0.990 175.258 176.300 -0.087 0.000 1.075 411 R CA -0.321 55.766 56.100 -0.022 0.000 1.005 411 R CB 0.243 30.528 30.300 -0.024 0.000 0.987 411 R HN 0.272 nan 8.270 nan 0.000 0.452 412 V N 3.462 123.284 119.914 -0.153 0.000 2.409 412 V HA 0.282 4.402 4.120 0.001 0.000 0.291 412 V C -0.454 175.497 176.094 -0.237 0.000 1.020 412 V CA -0.580 61.522 62.300 -0.331 0.000 0.848 412 V CB 1.837 33.418 31.823 -0.403 0.000 0.990 412 V HN 0.773 nan 8.190 nan 0.000 0.430 413 S N 3.506 119.058 115.700 -0.245 0.000 2.503 413 S HA 0.803 5.273 4.470 0.001 0.000 0.301 413 S C -0.516 173.988 174.600 -0.160 0.000 1.087 413 S CA -0.665 57.441 58.200 -0.157 0.000 1.042 413 S CB 2.105 65.237 63.200 -0.112 0.000 1.043 413 S HN 0.465 nan 8.310 nan 0.000 0.489 414 V N 2.809 122.657 119.914 -0.109 0.000 2.588 414 V HA 0.510 4.631 4.120 0.001 0.000 0.304 414 V C -0.795 175.264 176.094 -0.058 0.000 1.042 414 V CA -0.866 61.382 62.300 -0.087 0.000 0.877 414 V CB 1.924 33.703 31.823 -0.074 0.000 0.996 414 V HN 0.767 nan 8.190 nan 0.000 0.425 415 D N 1.344 121.715 120.400 -0.048 0.000 2.506 415 D HA 0.356 4.997 4.640 0.001 0.000 0.254 415 D C 1.421 177.706 176.300 -0.025 0.000 1.089 415 D CA 0.082 54.062 54.000 -0.033 0.000 1.050 415 D CB 1.533 42.315 40.800 -0.030 0.000 1.221 415 D HN 0.650 nan 8.370 nan 0.000 0.589 416 T N -2.252 112.291 114.554 -0.017 0.000 2.788 416 T HA -0.190 4.161 4.350 0.001 0.000 0.268 416 T C 0.867 175.561 174.700 -0.010 0.000 1.044 416 T CA 1.589 63.683 62.100 -0.011 0.000 1.139 416 T CB -0.116 68.747 68.868 -0.008 0.000 0.867 416 T HN 0.454 nan 8.240 nan 0.000 0.454 417 D N 1.010 121.402 120.400 -0.013 0.000 2.454 417 D HA 0.157 4.798 4.640 0.001 0.000 0.214 417 D C 0.727 177.017 176.300 -0.017 0.000 1.088 417 D CA 0.110 54.103 54.000 -0.013 0.000 0.855 417 D CB -0.047 40.747 40.800 -0.010 0.000 1.025 417 D HN 0.587 nan 8.370 nan 0.000 0.502 418 V N -1.971 117.931 119.914 -0.021 0.000 2.962 418 V HA 0.745 4.865 4.120 0.001 0.000 0.313 418 V C -0.629 175.444 176.094 -0.034 0.000 1.099 418 V CA -1.099 61.188 62.300 -0.021 0.000 0.971 418 V CB 2.361 34.174 31.823 -0.016 0.000 1.028 418 V HN -0.156 nan 8.190 nan 0.000 0.430 419 V N 3.205 123.103 119.914 -0.027 0.000 2.459 419 V HA 0.630 4.750 4.120 0.001 0.000 0.295 419 V C 0.055 176.096 176.094 -0.087 0.000 1.029 419 V CA -0.524 61.722 62.300 -0.090 0.000 0.874 419 V CB 1.531 33.309 31.823 -0.074 0.000 0.985 419 V HN 1.034 nan 8.190 nan 0.000 0.438 420 R N 3.780 124.162 120.500 -0.197 0.000 2.393 420 R HA 0.564 4.904 4.340 0.001 0.000 0.315 420 R C -1.763 174.381 176.300 -0.259 0.000 0.952 420 R CA -0.500 55.532 56.100 -0.112 0.000 0.842 420 R CB 1.030 31.286 30.300 -0.073 0.000 1.163 420 R HN 0.533 nan 8.270 nan 0.000 0.450 421 F N 2.925 122.857 119.950 -0.030 0.000 2.404 421 F HA 0.357 4.884 4.527 0.001 0.000 0.354 421 F C -0.078 175.702 175.800 -0.034 0.000 1.122 421 F CA -0.698 57.284 58.000 -0.030 0.000 1.080 421 F CB 1.656 40.636 39.000 -0.034 0.000 1.131 421 F HN 0.469 nan 8.300 nan 0.000 0.471 422 N N 2.644 121.400 118.700 0.094 0.000 2.501 422 N HA 0.635 5.375 4.740 0.001 0.000 0.245 422 N C -0.990 174.556 175.510 0.060 0.000 0.974 422 N CA -0.319 52.763 53.050 0.053 0.000 0.941 422 N CB 1.338 39.830 38.487 0.008 0.000 1.122 422 N HN 0.643 nan 8.380 nan 0.000 0.507 423 A N 1.711 124.563 122.820 0.053 0.000 2.365 423 A HA 0.530 4.851 4.320 0.001 0.000 0.318 423 A C -0.749 176.841 177.584 0.010 0.000 1.091 423 A CA -0.816 51.244 52.037 0.038 0.000 0.763 423 A CB 1.014 20.032 19.000 0.030 0.000 1.248 423 A HN 0.377 nan 8.150 nan 0.000 0.442 424 Q N 1.581 121.385 119.800 0.008 0.000 2.279 424 Q HA 0.194 4.534 4.340 0.001 0.000 0.256 424 Q C 0.686 176.684 176.000 -0.002 0.000 0.937 424 Q CA -0.495 55.308 55.803 0.001 0.000 0.933 424 Q CB 1.449 30.197 28.738 0.017 0.000 1.189 424 Q HN 0.733 nan 8.270 nan 0.000 0.417 425 L N 2.989 124.192 121.223 -0.035 0.000 2.042 425 L HA -0.227 4.114 4.340 0.001 0.000 0.210 425 L C 2.148 179.014 176.870 -0.007 0.000 1.076 425 L CA 2.122 56.922 54.840 -0.066 0.000 0.749 425 L CB -0.718 41.203 42.059 -0.230 0.000 0.893 425 L HN 0.830 nan 8.230 nan 0.000 0.432 426 H N -0.109 118.922 119.070 -0.066 0.000 2.321 426 H HA -0.209 4.348 4.556 0.001 0.000 0.300 426 H C 2.104 177.440 175.328 0.014 0.000 1.087 426 H CA 2.194 58.237 56.048 -0.008 0.000 1.319 426 H CB 0.024 29.774 29.762 -0.020 0.000 1.379 426 H HN 0.624 nan 8.280 nan 0.000 0.501 427 E N -1.313 118.900 120.200 0.022 0.000 2.358 427 E HA -0.036 4.314 4.350 0.001 0.000 0.195 427 E C 1.288 177.853 176.600 -0.059 0.000 1.010 427 E CA 0.988 57.370 56.400 -0.031 0.000 0.856 427 E CB -0.207 29.523 29.700 0.051 0.000 0.795 427 E HN 0.414 nan 8.360 nan 0.000 0.504 428 c N 0.778 119.348 118.600 -0.050 0.000 3.070 428 c HA 0.285 4.855 4.570 0.001 0.000 0.280 428 c C 0.677 174.728 174.090 -0.065 0.000 1.264 428 c CA -0.457 55.828 56.329 -0.073 0.000 1.690 428 c CB -0.449 42.019 42.510 -0.071 0.000 2.049 428 c HN 0.222 nan 8.230 nan 0.000 0.636 429 S N 1.872 117.562 115.700 -0.018 0.000 2.443 429 S HA 0.079 4.550 4.470 0.001 0.000 0.284 429 S C 1.155 175.763 174.600 0.014 0.000 1.206 429 S CA -0.031 58.197 58.200 0.047 0.000 1.074 429 S CB 0.830 64.129 63.200 0.165 0.000 0.963 429 S HN 0.576 nan 8.310 nan 0.000 0.501 430 S N 2.992 118.712 115.700 0.033 0.000 2.414 430 S HA 0.027 4.497 4.470 0.001 0.000 0.227 430 S C 0.924 175.565 174.600 0.068 0.000 1.022 430 S CA 0.632 58.877 58.200 0.076 0.000 0.958 430 S CB 0.080 63.398 63.200 0.197 0.000 0.797 430 S HN 0.734 nan 8.310 nan 0.000 0.493 431 R N 0.659 121.197 120.500 0.064 0.000 2.651 431 R HA 0.534 4.874 4.340 0.001 0.000 0.278 431 R C -1.763 174.537 176.300 0.000 0.000 1.010 431 R CA -0.601 55.519 56.100 0.034 0.000 0.896 431 R CB 1.693 32.021 30.300 0.046 0.000 1.211 431 R HN 0.078 nan 8.270 nan 0.000 0.456 432 V N 0.986 120.868 119.914 -0.054 0.000 2.789 432 V HA 0.700 4.820 4.120 0.001 0.000 0.311 432 V C -1.167 174.846 176.094 -0.135 0.000 1.073 432 V CA -0.599 61.603 62.300 -0.164 0.000 0.921 432 V CB 1.644 33.334 31.823 -0.221 0.000 1.009 432 V HN 1.009 nan 8.190 nan 0.000 0.426 433 Q N 3.851 123.551 119.800 -0.167 0.000 2.630 433 Q HA 0.691 5.031 4.340 0.001 0.000 0.295 433 Q C -1.927 174.010 176.000 -0.105 0.000 0.944 433 Q CA -1.153 54.588 55.803 -0.104 0.000 0.766 433 Q CB 2.739 31.441 28.738 -0.061 0.000 1.471 433 Q HN 0.751 nan 8.270 nan 0.000 0.416 434 M N 2.085 121.647 119.600 -0.063 0.000 2.253 434 M HA 0.386 4.867 4.480 0.001 0.000 0.314 434 M C -0.333 175.953 176.300 -0.024 0.000 1.019 434 M CA -0.717 54.559 55.300 -0.041 0.000 0.932 434 M CB 2.272 34.853 32.600 -0.031 0.000 1.606 434 M HN 0.946 nan 8.290 nan 0.000 0.430 435 T N -1.524 113.022 114.554 -0.013 0.000 2.852 435 T HA 0.344 4.694 4.350 0.001 0.000 0.281 435 T C 1.002 175.702 174.700 0.001 0.000 0.993 435 T CA -0.708 61.388 62.100 -0.006 0.000 0.933 435 T CB 1.504 70.371 68.868 -0.001 0.000 1.187 435 T HN 0.797 nan 8.240 nan 0.000 0.559 436 K N -0.055 120.347 120.400 0.003 0.000 2.063 436 K HA -0.169 4.152 4.320 0.001 0.000 0.208 436 K C 1.054 177.663 176.600 0.017 0.000 1.048 436 K CA 2.046 58.338 56.287 0.009 0.000 0.928 436 K CB -0.288 32.217 32.500 0.010 0.000 0.713 436 K HN 0.569 nan 8.250 nan 0.000 0.442 437 D N -0.823 119.589 120.400 0.020 0.000 2.367 437 D HA 0.192 4.832 4.640 0.001 0.000 0.207 437 D C -0.489 175.832 176.300 0.035 0.000 1.034 437 D CA 0.432 54.448 54.000 0.027 0.000 0.861 437 D CB 1.065 41.882 40.800 0.028 0.000 0.943 437 D HN 0.303 nan 8.370 nan 0.000 0.515 438 A N -0.054 122.787 122.820 0.035 0.000 2.556 438 A HA 0.684 5.004 4.320 0.001 0.000 0.294 438 A C -1.428 176.186 177.584 0.050 0.000 1.091 438 A CA -0.650 51.420 52.037 0.056 0.000 0.704 438 A CB 1.112 20.140 19.000 0.047 0.000 1.300 438 A HN 0.038 nan 8.150 nan 0.000 0.406 439 L N 1.442 122.725 121.223 0.100 0.000 2.282 439 L HA 0.573 4.913 4.340 0.001 0.000 0.288 439 L C -0.870 176.037 176.870 0.061 0.000 1.033 439 L CA -0.897 53.967 54.840 0.040 0.000 0.807 439 L CB 1.484 43.596 42.059 0.088 0.000 1.209 439 L HN 0.414 nan 8.230 nan 0.000 0.423 440 V N 3.261 123.109 119.914 -0.109 0.000 2.417 440 V HA 0.375 4.496 4.120 0.001 0.000 0.291 440 V C -0.874 175.111 176.094 -0.182 0.000 1.024 440 V CA -0.634 61.649 62.300 -0.027 0.000 0.861 440 V CB 1.308 33.125 31.823 -0.010 0.000 0.985 440 V HN 0.392 nan 8.190 nan 0.000 0.436 441 Y N 1.932 122.308 120.300 0.127 0.000 2.328 441 Y HA 0.656 5.206 4.550 0.001 0.000 0.337 441 Y C 0.581 176.532 175.900 0.085 0.000 0.966 441 Y CA -0.432 57.732 58.100 0.108 0.000 1.136 441 Y CB 2.074 40.622 38.460 0.147 0.000 1.170 441 Y HN 0.580 nan 8.280 nan 0.000 0.470 442 S N 1.581 117.384 115.700 0.173 0.000 2.526 442 S HA 0.781 5.252 4.470 0.001 0.000 0.293 442 S C -0.358 174.311 174.600 0.115 0.000 1.092 442 S CA -0.686 57.594 58.200 0.134 0.000 0.980 442 S CB 2.382 65.642 63.200 0.100 0.000 1.048 442 S HN 0.698 nan 8.310 nan 0.000 0.483 443 T N 1.096 115.709 114.554 0.099 0.000 2.612 443 T HA 0.793 5.143 4.350 0.001 0.000 0.296 443 T C -2.066 172.708 174.700 0.125 0.000 1.148 443 T CA -0.660 61.468 62.100 0.047 0.000 1.077 443 T CB 0.505 69.277 68.868 -0.159 0.000 1.591 443 T HN 0.530 nan 8.240 nan 0.000 0.479 444 F N 0.833 120.776 119.950 -0.011 0.000 2.588 444 F HA 0.864 5.391 4.527 0.001 0.000 0.310 444 F C -1.528 174.233 175.800 -0.065 0.000 1.082 444 F CA -1.431 56.558 58.000 -0.018 0.000 0.929 444 F CB 1.014 40.010 39.000 -0.008 0.000 1.254 444 F HN 0.440 nan 8.300 nan 0.000 0.455 445 L N 4.064 125.332 121.223 0.075 0.000 2.296 445 L HA 0.744 5.084 4.340 0.001 0.000 0.286 445 L C -1.565 175.374 176.870 0.115 0.000 1.023 445 L CA -0.759 54.057 54.840 -0.041 0.000 0.812 445 L CB 1.404 43.394 42.059 -0.115 0.000 1.223 445 L HN 0.818 nan 8.230 nan 0.000 0.421 446 L N 5.198 126.494 121.223 0.122 0.000 2.341 446 L HA 0.472 4.812 4.340 0.001 0.000 0.278 446 L C -1.089 175.883 176.870 0.170 0.000 1.005 446 L CA -0.175 54.767 54.840 0.171 0.000 0.818 446 L CB 1.268 43.454 42.059 0.212 0.000 1.259 446 L HN 0.699 nan 8.230 nan 0.000 0.418 447 H N 3.980 123.105 119.070 0.092 0.000 2.541 447 H HA 0.373 4.929 4.556 0.001 0.000 0.316 447 H C -1.516 173.888 175.328 0.126 0.000 1.043 447 H CA -0.417 55.696 56.048 0.109 0.000 1.232 447 H CB 1.266 31.092 29.762 0.107 0.000 1.406 447 H HN 0.638 nan 8.280 nan 0.000 0.469 448 D N 7.601 127.824 120.400 -0.294 0.000 2.336 448 D HA 0.154 4.795 4.640 0.001 0.000 0.248 448 D C -2.209 173.939 176.300 -0.254 0.000 1.326 448 D CA -1.834 52.037 54.000 -0.216 0.000 0.973 448 D CB 1.784 42.552 40.800 -0.053 0.000 1.255 448 D HN 0.361 nan 8.370 nan 0.000 0.558 449 P HA 0.100 nan 4.420 nan 0.000 0.259 449 P C 0.215 177.486 177.300 -0.050 0.000 1.480 449 P CA -0.330 62.686 63.100 -0.140 0.000 0.842 449 P CB -0.038 31.624 31.700 -0.062 0.000 1.513 450 R N 2.826 123.299 120.500 -0.046 0.000 2.491 450 R HA 0.272 4.613 4.340 0.001 0.000 0.283 450 R C -1.732 174.565 176.300 -0.006 0.000 1.072 450 R CA -1.554 54.536 56.100 -0.018 0.000 1.048 450 R CB -0.581 29.711 30.300 -0.014 0.000 0.983 450 R HN 0.097 nan 8.270 nan 0.000 0.450 451 P HA 0.078 nan 4.420 nan 0.000 0.286 451 P C -0.795 176.506 177.300 0.003 0.000 1.321 451 P CA -0.436 62.664 63.100 0.001 0.000 0.790 451 P CB 1.198 32.900 31.700 0.004 0.000 0.897 452 V N 3.740 123.654 119.914 0.001 0.000 2.529 452 V HA 0.046 4.166 4.120 0.001 0.000 0.292 452 V C 1.185 177.282 176.094 0.005 0.000 1.028 452 V CA 0.653 62.956 62.300 0.005 0.000 1.074 452 V CB 0.545 32.369 31.823 0.003 0.000 0.958 452 V HN 0.737 nan 8.190 nan 0.000 0.481 453 S N 4.418 120.123 115.700 0.008 0.000 2.602 453 S HA 0.536 5.006 4.470 0.001 0.000 0.246 453 S C 0.315 174.918 174.600 0.005 0.000 1.009 453 S CA 0.060 58.264 58.200 0.007 0.000 1.052 453 S CB -0.119 63.087 63.200 0.009 0.000 0.778 453 S HN 1.434 nan 8.310 nan 0.000 0.455 454 G N 0.603 109.405 108.800 0.003 0.000 2.718 454 G HA2 0.525 4.486 3.960 0.001 0.000 0.295 454 G HA3 0.525 4.486 3.960 0.001 0.000 0.295 454 G C -1.355 173.543 174.900 -0.004 0.000 1.421 454 G CA -1.006 44.094 45.100 -0.000 0.000 0.902 454 G HN 0.319 nan 8.290 nan 0.000 0.501 455 L N 1.991 123.211 121.223 -0.005 0.000 2.600 455 L HA 0.403 4.743 4.340 0.001 0.000 0.278 455 L C 0.700 177.561 176.870 -0.014 0.000 1.139 455 L CA -0.305 54.530 54.840 -0.008 0.000 0.933 455 L CB -0.463 41.592 42.059 -0.006 0.000 1.266 455 L HN 0.325 nan 8.230 nan 0.000 0.471 456 S N 6.281 121.971 115.700 -0.017 0.000 2.549 456 S HA 0.273 4.743 4.470 0.001 0.000 0.286 456 S C 1.099 175.685 174.600 -0.023 0.000 1.314 456 S CA 0.306 58.490 58.200 -0.027 0.000 1.062 456 S CB 0.528 63.713 63.200 -0.026 0.000 0.865 456 S HN 0.719 nan 8.310 nan 0.000 0.498 457 I N -0.235 120.317 120.570 -0.030 0.000 3.557 457 I HA 0.246 4.416 4.170 0.001 0.000 0.259 457 I C 1.194 177.297 176.117 -0.023 0.000 1.108 457 I CA -0.198 61.089 61.300 -0.022 0.000 1.536 457 I CB -0.354 37.636 38.000 -0.017 0.000 1.727 457 I HN 0.464 nan 8.210 nan 0.000 0.408 458 L N 1.312 122.516 121.223 -0.031 0.000 2.130 458 L HA 0.313 4.653 4.340 0.001 0.000 0.200 458 L C 0.846 177.699 176.870 -0.030 0.000 1.075 458 L CA 1.399 56.224 54.840 -0.024 0.000 0.768 458 L CB -0.078 41.968 42.059 -0.022 0.000 0.933 458 L HN 0.192 nan 8.230 nan 0.000 0.451 459 R N -1.001 119.460 120.500 -0.064 0.000 2.534 459 R HA 0.339 4.680 4.340 0.001 0.000 0.301 459 R C -0.465 175.767 176.300 -0.113 0.000 0.961 459 R CA -0.466 55.587 56.100 -0.078 0.000 0.871 459 R CB 1.388 31.619 30.300 -0.115 0.000 1.170 459 R HN -0.081 nan 8.270 nan 0.000 0.446 460 T N 1.153 115.677 114.554 -0.052 0.000 2.888 460 T HA 0.019 4.369 4.350 0.001 0.000 0.301 460 T C 1.033 175.702 174.700 -0.052 0.000 1.001 460 T CA -0.182 61.899 62.100 -0.032 0.000 1.147 460 T CB 0.296 69.178 68.868 0.023 0.000 0.931 460 T HN 0.429 nan 8.240 nan 0.000 0.541 461 N N 3.311 121.977 118.700 -0.056 0.000 2.494 461 N HA 0.004 4.744 4.740 0.001 0.000 0.182 461 N C 0.721 176.446 175.510 0.358 0.000 1.076 461 N CA 0.323 53.410 53.050 0.061 0.000 0.908 461 N CB -0.078 38.450 38.487 0.068 0.000 0.967 461 N HN 0.568 nan 8.380 nan 0.000 0.449 462 R N 1.232 121.846 120.500 0.190 0.000 2.242 462 R HA 0.253 4.594 4.340 0.001 0.000 0.334 462 R C -1.107 175.323 176.300 0.216 0.000 1.071 462 R CA 0.004 56.208 56.100 0.172 0.000 0.922 462 R CB 0.313 30.660 30.300 0.078 0.000 1.023 462 R HN -0.229 nan 8.270 nan 0.000 0.458 463 V N 3.922 123.995 119.914 0.263 0.000 2.656 463 V HA 0.384 4.505 4.120 0.001 0.000 0.307 463 V C -0.505 175.684 176.094 0.158 0.000 1.051 463 V CA -0.805 61.623 62.300 0.213 0.000 0.893 463 V CB 1.877 33.835 31.823 0.226 0.000 0.999 463 V HN 0.756 nan 8.190 nan 0.000 0.426 464 E N 2.697 122.966 120.200 0.115 0.000 2.256 464 E HA 0.716 5.066 4.350 0.001 0.000 0.268 464 E C -1.643 175.016 176.600 0.097 0.000 0.877 464 E CA -0.543 55.921 56.400 0.107 0.000 0.757 464 E CB 2.438 32.175 29.700 0.062 0.000 1.183 464 E HN 0.662 nan 8.360 nan 0.000 0.418 465 V N 1.210 121.193 119.914 0.115 0.000 2.876 465 V HA 0.714 4.834 4.120 0.001 0.000 0.312 465 V C -2.708 173.470 176.094 0.140 0.000 1.085 465 V CA -2.472 59.894 62.300 0.109 0.000 0.945 465 V CB 1.555 33.438 31.823 0.100 0.000 1.017 465 V HN 0.553 nan 8.190 nan 0.000 0.428 466 P HA 0.417 nan 4.420 nan 0.000 0.282 466 P C -1.038 176.391 177.300 0.214 0.000 1.262 466 P CA 0.011 63.203 63.100 0.153 0.000 0.773 466 P CB 1.020 32.775 31.700 0.092 0.000 0.879 467 I N 3.178 123.857 120.570 0.181 0.000 2.355 467 I HA 0.425 4.596 4.170 0.001 0.000 0.288 467 I C 0.446 176.672 176.117 0.182 0.000 0.999 467 I CA -0.481 60.920 61.300 0.168 0.000 1.163 467 I CB 1.075 39.088 38.000 0.022 0.000 1.316 467 I HN 0.474 nan 8.210 nan 0.000 0.454 468 E N 5.232 125.598 120.200 0.277 0.000 2.308 468 E HA 0.530 4.881 4.350 0.001 0.000 0.275 468 E C -1.884 174.848 176.600 0.221 0.000 0.890 468 E CA -0.392 56.150 56.400 0.236 0.000 0.754 468 E CB 2.175 31.994 29.700 0.200 0.000 1.207 468 E HN 0.616 nan 8.360 nan 0.000 0.426 469 c N 3.372 122.076 118.600 0.172 0.000 2.455 469 c HA 0.607 5.177 4.570 0.001 0.000 0.320 469 c C -0.614 173.495 174.090 0.032 0.000 1.226 469 c CA -0.646 55.712 56.329 0.048 0.000 1.569 469 c CB 0.845 43.400 42.510 0.075 0.000 2.200 469 c HN 0.687 nan 8.230 nan 0.000 0.491 470 R N 2.092 122.469 120.500 -0.205 0.000 2.439 470 R HA 0.535 4.875 4.340 0.001 0.000 0.310 470 R C -1.847 174.262 176.300 -0.319 0.000 0.955 470 R CA -0.401 55.632 56.100 -0.113 0.000 0.853 470 R CB 1.460 31.736 30.300 -0.039 0.000 1.171 470 R HN 0.667 nan 8.270 nan 0.000 0.449 471 Y N 2.474 122.857 120.300 0.138 0.000 2.341 471 Y HA 0.319 4.869 4.550 0.001 0.000 0.338 471 Y C -2.007 173.935 175.900 0.070 0.000 0.965 471 Y CA -2.945 55.216 58.100 0.102 0.000 1.108 471 Y CB 1.538 40.081 38.460 0.138 0.000 1.180 471 Y HN 0.407 nan 8.280 nan 0.000 0.458 472 P HA 0.030 nan 4.420 nan 0.000 0.261 472 P C -0.042 177.319 177.300 0.102 0.000 1.173 472 P CA 0.269 63.426 63.100 0.096 0.000 0.760 472 P CB 0.635 32.370 31.700 0.058 0.000 0.783 473 R N 0.000 120.544 120.500 0.073 0.000 2.786 473 R HA 0.000 4.340 4.340 0.001 0.000 0.208 473 R CA 0.000 56.134 56.100 0.057 0.000 0.921 473 R CB 0.000 30.326 30.300 0.043 0.000 0.687 473 R HN 0.000 nan 8.270 nan 0.000 0.535