REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3glh_1_G DATA FIRST_RESID 3 DATA SEQUENCE YQVLARKWRP QTFADVVGQE HVLTALANGL SLGRIHHAYL FSGTRGVGKT DATA SEQUENCE SIARLLAKGL NCETGITATP CGVCDNCREI EQGRFVDLIE IDAASRTKVE DATA SEQUENCE DTRDLLDNVQ YAPARGRFKV YLIDEVHMLS RHSFNALLKT LEEPPEHVKF DATA SEQUENCE LLATTDPQKL PVTILSRCLQ FHLKXLDVEQ IRHQLEHILN EEHIAHEPRA DATA SEQUENCE LQLLARAAEG SLRDALSLTD QAIASGDGQV STQAVSAMLX TLDDDQALSL DATA SEQUENCE VEAMVEANGE RVMALINEAA ARGIEWEALL VEMLGLLHRI AMVQLSPAAL DATA SEQUENCE GNDMAAIELR MRELARTIPP TDIQLYYQTL LIGRKELPYA PDRRMGVEMT DATA SEQUENCE LLRALAFHPR MPLPEP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.906 175.900 0.009 0.000 1.272 3 Y CA 0.000 58.104 58.100 0.007 0.000 1.940 3 Y CB 0.000 38.461 38.460 0.001 0.000 1.050 4 Q N 2.871 122.779 119.800 0.180 0.000 2.913 4 Q HA 0.284 4.624 4.340 0.000 0.000 0.213 4 Q C -1.984 174.073 176.000 0.096 0.000 0.981 4 Q CA -0.709 55.148 55.803 0.090 0.000 1.133 4 Q CB 2.787 31.573 28.738 0.080 0.000 1.839 4 Q HN 0.536 nan 8.270 nan 0.000 0.540 5 V N 4.403 124.364 119.914 0.078 0.000 2.427 5 V HA 0.251 4.371 4.120 0.000 0.000 0.286 5 V C 1.377 177.543 176.094 0.120 0.000 1.034 5 V CA -0.313 62.036 62.300 0.082 0.000 0.893 5 V CB 1.417 33.275 31.823 0.059 0.000 0.982 5 V HN 0.851 nan 8.190 nan 0.000 0.452 6 L N 3.516 124.822 121.223 0.139 0.000 2.013 6 L HA -0.244 4.096 4.340 0.000 0.000 0.212 6 L C 2.604 179.621 176.870 0.246 0.000 1.073 6 L CA 2.195 57.169 54.840 0.224 0.000 0.753 6 L CB -0.483 41.625 42.059 0.082 0.000 0.890 6 L HN 0.891 nan 8.230 nan 0.000 0.432 7 A N 0.238 123.134 122.820 0.127 0.000 1.908 7 A HA -0.284 4.036 4.320 0.000 0.000 0.218 7 A C 2.307 179.962 177.584 0.118 0.000 1.181 7 A CA 2.180 54.281 52.037 0.107 0.000 0.627 7 A CB -0.489 18.546 19.000 0.058 0.000 0.818 7 A HN 0.394 nan 8.150 nan 0.000 0.445 8 R N 0.082 120.637 120.500 0.092 0.000 2.075 8 R HA 0.011 4.351 4.340 0.000 0.000 0.226 8 R C 2.050 178.372 176.300 0.037 0.000 1.114 8 R CA 2.035 58.164 56.100 0.049 0.000 0.972 8 R CB -0.507 29.806 30.300 0.022 0.000 0.869 8 R HN 0.437 nan 8.270 nan 0.000 0.437 9 K N -0.968 119.474 120.400 0.071 0.000 2.283 9 K HA -0.107 4.213 4.320 0.000 0.000 0.202 9 K C 0.201 176.674 176.600 -0.211 0.000 1.048 9 K CA 1.117 57.373 56.287 -0.051 0.000 0.948 9 K CB 0.010 32.500 32.500 -0.016 0.000 0.742 9 K HN 0.264 nan 8.250 nan 0.000 0.458 10 W N 1.481 122.771 121.300 -0.016 0.000 3.102 10 W HA 0.270 4.930 4.660 -0.000 0.000 0.401 10 W C -0.078 176.433 176.519 -0.014 0.000 1.070 10 W CA -0.696 56.643 57.345 -0.011 0.000 1.921 10 W CB 0.212 29.670 29.460 -0.004 0.000 1.118 10 W HN -0.193 nan 8.180 nan 0.000 0.647 11 R N 1.939 122.491 120.500 0.086 0.000 2.504 11 R HA 0.006 4.346 4.340 0.000 0.000 0.291 11 R C -2.170 174.143 176.300 0.022 0.000 0.974 11 R CA -1.036 55.090 56.100 0.044 0.000 1.077 11 R CB 0.146 30.446 30.300 -0.000 0.000 0.926 11 R HN -0.225 nan 8.270 nan 0.000 0.407 12 P HA -0.029 nan 4.420 nan 0.000 0.264 12 P C -0.309 176.984 177.300 -0.012 0.000 1.193 12 P CA 0.146 63.263 63.100 0.029 0.000 0.763 12 P CB 0.792 32.514 31.700 0.038 0.000 0.810 13 Q N 0.641 120.424 119.800 -0.030 0.000 2.282 13 Q HA 0.162 4.502 4.340 0.000 0.000 0.206 13 Q C 0.023 175.983 176.000 -0.067 0.000 0.878 13 Q CA 0.723 56.489 55.803 -0.062 0.000 0.944 13 Q CB 0.475 29.164 28.738 -0.081 0.000 1.100 13 Q HN 0.489 nan 8.270 nan 0.000 0.509 14 T N -1.709 112.828 114.554 -0.027 0.000 2.802 14 T HA 0.328 4.678 4.350 0.000 0.000 0.311 14 T C 0.231 174.998 174.700 0.112 0.000 1.405 14 T CA -0.669 61.413 62.100 -0.030 0.000 1.016 14 T CB 0.411 69.264 68.868 -0.026 0.000 1.352 14 T HN -0.269 nan 8.240 nan 0.000 0.498 15 F N 1.386 121.293 119.950 -0.072 0.000 2.126 15 F HA -0.031 4.496 4.527 -0.000 0.000 0.299 15 F C 2.898 178.659 175.800 -0.064 0.000 1.096 15 F CA 1.397 59.350 58.000 -0.079 0.000 1.255 15 F CB -1.439 37.513 39.000 -0.080 0.000 0.997 15 F HN 0.837 nan 8.300 nan 0.000 0.479 16 A N 0.458 123.374 122.820 0.160 0.000 2.009 16 A HA -0.262 4.058 4.320 0.000 0.000 0.222 16 A C 1.117 178.721 177.584 0.033 0.000 1.175 16 A CA 2.289 54.364 52.037 0.063 0.000 0.651 16 A CB -1.194 17.828 19.000 0.036 0.000 0.815 16 A HN 0.503 nan 8.150 nan 0.000 0.459 17 D N -1.276 119.152 120.400 0.048 0.000 2.559 17 D HA 0.343 4.983 4.640 0.000 0.000 0.234 17 D C 0.042 176.370 176.300 0.048 0.000 1.226 17 D CA 0.102 54.128 54.000 0.045 0.000 0.830 17 D CB -0.028 40.813 40.800 0.069 0.000 1.028 17 D HN 0.376 nan 8.370 nan 0.000 0.492 18 V N -1.443 118.485 119.914 0.024 0.000 2.539 18 V HA 0.495 4.615 4.120 0.000 0.000 0.292 18 V C 0.094 176.178 176.094 -0.017 0.000 1.045 18 V CA -0.914 61.389 62.300 0.004 0.000 0.945 18 V CB 1.759 33.566 31.823 -0.027 0.000 0.993 18 V HN -0.024 nan 8.190 nan 0.000 0.464 19 V N 5.981 125.890 119.914 -0.008 0.000 2.439 19 V HA 0.503 4.623 4.120 0.000 0.000 0.271 19 V C 1.628 177.704 176.094 -0.030 0.000 1.040 19 V CA 0.853 63.145 62.300 -0.013 0.000 1.002 19 V CB -0.079 31.746 31.823 0.003 0.000 1.000 19 V HN 1.728 nan 8.190 nan 0.000 0.477 20 G N 4.525 113.299 108.800 -0.044 0.000 2.296 20 G HA2 -0.303 3.657 3.960 0.000 0.000 0.282 20 G HA3 -0.303 3.657 3.960 0.000 0.000 0.282 20 G C 0.338 175.211 174.900 -0.044 0.000 1.014 20 G CA 0.576 45.648 45.100 -0.047 0.000 0.812 20 G HN 0.799 nan 8.290 nan 0.000 0.508 21 Q N -0.587 119.174 119.800 -0.066 0.000 2.354 21 Q HA 0.298 4.638 4.340 0.000 0.000 0.372 21 Q C 1.505 177.450 176.000 -0.091 0.000 0.923 21 Q CA 0.100 55.870 55.803 -0.055 0.000 1.123 21 Q CB 0.281 28.989 28.738 -0.051 0.000 1.298 21 Q HN 0.760 nan 8.270 nan 0.000 0.419 22 E N 0.361 120.497 120.200 -0.107 0.000 2.160 22 E HA -0.309 4.041 4.350 0.000 0.000 0.237 22 E C 1.146 177.638 176.600 -0.181 0.000 1.069 22 E CA 1.705 58.000 56.400 -0.175 0.000 0.950 22 E CB -0.312 29.263 29.700 -0.209 0.000 0.832 22 E HN 0.513 nan 8.360 nan 0.000 0.496 23 H N -0.320 118.735 119.070 -0.026 0.000 2.543 23 H HA -0.018 4.538 4.556 0.000 0.000 0.286 23 H C 2.026 177.361 175.328 0.011 0.000 1.037 23 H CA 0.873 56.928 56.048 0.011 0.000 1.250 23 H CB 0.096 29.888 29.762 0.049 0.000 1.373 23 H HN 0.056 nan 8.280 nan 0.000 0.580 24 V N 0.493 120.411 119.914 0.006 0.000 2.374 24 V HA -0.148 3.972 4.120 0.000 0.000 0.241 24 V C 2.644 178.511 176.094 -0.378 0.000 1.034 24 V CA 0.714 62.895 62.300 -0.198 0.000 1.037 24 V CB -0.283 31.417 31.823 -0.205 0.000 0.682 24 V HN 0.249 nan 8.190 nan 0.000 0.463 25 L N -0.105 120.894 121.223 -0.374 0.000 2.079 25 L HA -0.184 4.156 4.340 0.000 0.000 0.210 25 L C 2.572 179.235 176.870 -0.344 0.000 1.081 25 L CA 1.930 56.440 54.840 -0.551 0.000 0.752 25 L CB -1.167 40.616 42.059 -0.460 0.000 0.896 25 L HN 0.374 nan 8.230 nan 0.000 0.433 26 T N 0.038 114.490 114.554 -0.171 0.000 2.701 26 T HA -0.130 4.220 4.350 0.000 0.000 0.263 26 T C 2.103 176.807 174.700 0.007 0.000 1.040 26 T CA 1.287 63.352 62.100 -0.058 0.000 1.147 26 T CB -0.264 68.583 68.868 -0.036 0.000 0.865 26 T HN 0.436 nan 8.240 nan 0.000 0.426 27 A N 1.531 124.376 122.820 0.041 0.000 1.873 27 A HA -0.106 4.214 4.320 0.000 0.000 0.218 27 A C 2.333 179.981 177.584 0.106 0.000 1.193 27 A CA 1.611 53.731 52.037 0.139 0.000 0.629 27 A CB -1.094 18.081 19.000 0.293 0.000 0.826 27 A HN 0.480 nan 8.150 nan 0.000 0.447 28 L N -1.027 120.162 121.223 -0.056 0.000 2.046 28 L HA -0.200 4.140 4.340 0.000 0.000 0.208 28 L C 3.062 180.038 176.870 0.176 0.000 1.077 28 L CA 1.153 55.996 54.840 0.006 0.000 0.747 28 L CB -0.532 41.394 42.059 -0.222 0.000 0.896 28 L HN 0.458 nan 8.230 nan 0.000 0.432 29 A N -0.252 122.664 122.820 0.160 0.000 2.015 29 A HA -0.155 4.165 4.320 0.000 0.000 0.219 29 A C 2.026 179.698 177.584 0.147 0.000 1.163 29 A CA 1.485 53.676 52.037 0.256 0.000 0.646 29 A CB -0.401 18.750 19.000 0.252 0.000 0.806 29 A HN 0.408 nan 8.150 nan 0.000 0.448 30 N N 0.290 119.059 118.700 0.115 0.000 2.173 30 N HA -0.064 4.676 4.740 0.000 0.000 0.184 30 N C 1.919 177.493 175.510 0.106 0.000 1.025 30 N CA 1.417 54.526 53.050 0.098 0.000 0.852 30 N CB -0.890 37.653 38.487 0.094 0.000 0.998 30 N HN 0.410 nan 8.380 nan 0.000 0.427 31 G N 1.421 110.303 108.800 0.136 0.000 2.442 31 G HA2 -0.194 3.766 3.960 0.000 0.000 0.219 31 G HA3 -0.194 3.766 3.960 0.000 0.000 0.219 31 G C 1.575 176.543 174.900 0.114 0.000 1.141 31 G CA 0.373 45.557 45.100 0.140 0.000 0.763 31 G HN 0.253 nan 8.290 nan 0.000 0.554 32 L N 0.499 121.794 121.223 0.119 0.000 2.275 32 L HA 0.002 4.342 4.340 0.000 0.000 0.215 32 L C 2.794 179.703 176.870 0.064 0.000 1.119 32 L CA 0.704 55.595 54.840 0.085 0.000 0.790 32 L CB 0.058 42.163 42.059 0.077 0.000 0.919 32 L HN 0.203 nan 8.230 nan 0.000 0.443 33 S N -0.796 114.944 115.700 0.068 0.000 2.470 33 S HA 0.150 4.620 4.470 0.000 0.000 0.222 33 S C 1.520 176.150 174.600 0.050 0.000 1.024 33 S CA 0.213 58.444 58.200 0.052 0.000 0.931 33 S CB 0.282 63.512 63.200 0.049 0.000 0.791 33 S HN 0.292 nan 8.310 nan 0.000 0.513 34 L N 0.897 122.154 121.223 0.056 0.000 2.628 34 L HA 0.290 4.630 4.340 0.000 0.000 0.229 34 L C 1.510 178.408 176.870 0.047 0.000 1.137 34 L CA 0.198 55.067 54.840 0.048 0.000 0.909 34 L CB -0.359 41.728 42.059 0.046 0.000 1.137 34 L HN 0.439 nan 8.230 nan 0.000 0.470 35 G N 1.202 110.036 108.800 0.057 0.000 2.166 35 G HA2 -0.320 3.640 3.960 0.000 0.000 0.260 35 G HA3 -0.320 3.640 3.960 0.000 0.000 0.260 35 G C 0.362 175.286 174.900 0.041 0.000 0.986 35 G CA -0.007 45.131 45.100 0.064 0.000 0.683 35 G HN 0.445 nan 8.290 nan 0.000 0.527 36 R N -0.205 120.311 120.500 0.027 0.000 2.235 36 R HA 0.535 4.875 4.340 0.000 0.000 0.338 36 R C -0.471 175.816 176.300 -0.021 0.000 1.087 36 R CA -0.148 55.934 56.100 -0.030 0.000 0.948 36 R CB 0.372 30.658 30.300 -0.024 0.000 1.099 36 R HN 0.288 nan 8.270 nan 0.000 0.483 37 I N 2.050 122.578 120.570 -0.071 0.000 2.499 37 I HA 0.218 4.388 4.170 0.000 0.000 0.288 37 I C 0.311 176.352 176.117 -0.126 0.000 1.048 37 I CA -0.717 60.604 61.300 0.035 0.000 1.062 37 I CB 1.604 39.629 38.000 0.042 0.000 1.238 37 I HN 0.372 nan 8.210 nan 0.000 0.426 38 H N 4.281 123.302 119.070 -0.082 0.000 2.546 38 H HA 0.258 4.814 4.556 0.000 0.000 0.365 38 H C 0.478 175.713 175.328 -0.156 0.000 1.220 38 H CA -0.206 55.642 56.048 -0.333 0.000 1.386 38 H CB 1.085 30.497 29.762 -0.583 0.000 1.510 38 H HN 0.582 nan 8.280 nan 0.000 0.591 39 H N 0.233 119.338 119.070 0.057 0.000 2.421 39 H HA 0.122 4.678 4.556 0.000 0.000 0.298 39 H C 0.494 175.933 175.328 0.185 0.000 1.087 39 H CA 1.003 57.115 56.048 0.107 0.000 1.330 39 H CB 0.260 30.077 29.762 0.092 0.000 1.388 39 H HN 0.576 nan 8.280 nan 0.000 0.526 40 A N -0.330 122.590 122.820 0.168 0.000 2.547 40 A HA 0.547 4.867 4.320 0.000 0.000 0.297 40 A C -1.802 175.756 177.584 -0.044 0.000 1.056 40 A CA -0.634 51.522 52.037 0.199 0.000 0.688 40 A CB 1.196 20.309 19.000 0.187 0.000 1.282 40 A HN 0.082 nan 8.150 nan 0.000 0.400 41 Y N 0.755 121.091 120.300 0.059 0.000 2.376 41 Y HA 0.611 5.161 4.550 0.000 0.000 0.340 41 Y C -0.292 175.480 175.900 -0.214 0.000 0.965 41 Y CA -0.710 57.325 58.100 -0.108 0.000 1.078 41 Y CB 2.224 40.625 38.460 -0.099 0.000 1.193 41 Y HN 0.671 nan 8.280 nan 0.000 0.452 42 L N 4.240 125.362 121.223 -0.167 0.000 2.296 42 L HA 0.648 4.988 4.340 0.000 0.000 0.286 42 L C -1.835 174.840 176.870 -0.326 0.000 1.023 42 L CA -0.593 54.163 54.840 -0.140 0.000 0.812 42 L CB 0.219 42.243 42.059 -0.058 0.000 1.223 42 L HN 0.379 nan 8.230 nan 0.000 0.421 43 F N 3.290 123.337 119.950 0.161 0.000 2.444 43 F HA 0.687 5.214 4.527 0.000 0.000 0.342 43 F C 0.346 176.167 175.800 0.036 0.000 1.121 43 F CA -0.292 57.777 58.000 0.115 0.000 0.997 43 F CB 1.985 41.036 39.000 0.085 0.000 1.130 43 F HN 0.586 nan 8.300 nan 0.000 0.454 44 S N 1.266 117.019 115.700 0.087 0.000 2.599 44 S HA 1.019 5.489 4.470 0.000 0.000 0.294 44 S C -0.413 173.946 174.600 -0.401 0.000 1.094 44 S CA -0.721 57.414 58.200 -0.109 0.000 0.931 44 S CB 2.101 65.241 63.200 -0.100 0.000 1.093 44 S HN 1.248 nan 8.310 nan 0.000 0.488 45 G N 0.518 109.135 108.800 -0.305 0.000 2.350 45 G HA2 0.394 4.354 3.960 0.000 0.000 0.305 45 G HA3 0.394 4.354 3.960 0.000 0.000 0.305 45 G C -0.816 174.059 174.900 -0.041 0.000 1.479 45 G CA -0.760 44.188 45.100 -0.254 0.000 0.949 45 G HN 0.841 nan 8.290 nan 0.000 0.651 46 T N 0.422 114.988 114.554 0.019 0.000 2.903 46 T HA 0.370 4.720 4.350 0.000 0.000 0.314 46 T C 1.100 175.818 174.700 0.030 0.000 1.078 46 T CA 0.219 62.341 62.100 0.036 0.000 1.114 46 T CB 0.543 69.439 68.868 0.046 0.000 0.987 46 T HN 0.936 nan 8.240 nan 0.000 0.548 47 R N 1.037 121.560 120.500 0.037 0.000 2.480 47 R HA 0.377 4.717 4.340 0.000 0.000 0.303 47 R C 1.046 177.363 176.300 0.027 0.000 0.985 47 R CA 0.943 57.065 56.100 0.037 0.000 1.051 47 R CB -0.502 29.825 30.300 0.044 0.000 0.935 47 R HN 0.865 nan 8.270 nan 0.000 0.410 48 G N 2.243 111.056 108.800 0.021 0.000 3.898 48 G HA2 -0.180 3.780 3.960 0.000 0.000 0.196 48 G HA3 -0.180 3.780 3.960 0.000 0.000 0.196 48 G C -0.214 174.691 174.900 0.008 0.000 1.322 48 G CA -0.226 44.883 45.100 0.015 0.000 0.942 48 G HN 0.554 nan 8.290 nan 0.000 0.400 49 V N 2.078 121.996 119.914 0.007 0.000 3.332 49 V HA 0.430 4.550 4.120 0.000 0.000 0.305 49 V C 1.721 177.804 176.094 -0.017 0.000 1.114 49 V CA 0.778 63.076 62.300 -0.003 0.000 1.194 49 V CB 1.100 32.922 31.823 -0.002 0.000 1.027 49 V HN 0.994 nan 8.190 nan 0.000 0.492 50 G N 1.092 109.870 108.800 -0.036 0.000 3.213 50 G HA2 0.137 4.097 3.960 0.000 0.000 0.263 50 G HA3 0.137 4.097 3.960 0.000 0.000 0.263 50 G C 0.727 175.563 174.900 -0.108 0.000 0.829 50 G CA -0.341 44.723 45.100 -0.060 0.000 1.983 50 G HN 0.809 nan 8.290 nan 0.000 0.616 51 K N 0.255 120.611 120.400 -0.073 0.000 1.965 51 K HA -0.126 4.194 4.320 0.000 0.000 0.214 51 K C 2.987 179.486 176.600 -0.168 0.000 1.046 51 K CA 1.849 58.082 56.287 -0.090 0.000 0.944 51 K CB -0.243 32.276 32.500 0.032 0.000 0.726 51 K HN 0.467 nan 8.250 nan 0.000 0.441 52 T N -0.810 113.705 114.554 -0.065 0.000 2.759 52 T HA -0.161 4.189 4.350 0.000 0.000 0.269 52 T C 2.147 176.787 174.700 -0.099 0.000 1.042 52 T CA 2.057 64.126 62.100 -0.052 0.000 1.140 52 T CB -0.288 68.579 68.868 -0.002 0.000 0.864 52 T HN 0.095 nan 8.240 nan 0.000 0.455 53 S N -0.001 115.639 115.700 -0.100 0.000 2.402 53 S HA 0.099 4.569 4.470 0.000 0.000 0.229 53 S C 1.938 176.461 174.600 -0.128 0.000 1.021 53 S CA 0.952 59.098 58.200 -0.090 0.000 0.974 53 S CB -0.507 62.659 63.200 -0.058 0.000 0.800 53 S HN 0.647 nan 8.310 nan 0.000 0.484 54 I N 1.121 121.547 120.570 -0.241 0.000 2.406 54 I HA -0.037 4.133 4.170 0.000 0.000 0.249 54 I C 2.689 178.612 176.117 -0.323 0.000 1.122 54 I CA 0.833 61.955 61.300 -0.296 0.000 1.431 54 I CB -0.508 37.182 38.000 -0.518 0.000 1.087 54 I HN 0.312 nan 8.210 nan 0.000 0.424 55 A N 1.063 123.616 122.820 -0.446 0.000 1.940 55 A HA -0.216 4.104 4.320 0.000 0.000 0.219 55 A C 2.407 179.934 177.584 -0.096 0.000 1.176 55 A CA 1.435 53.314 52.037 -0.263 0.000 0.631 55 A CB -0.548 18.387 19.000 -0.108 0.000 0.814 55 A HN 0.285 nan 8.150 nan 0.000 0.446 56 R N -0.617 119.831 120.500 -0.087 0.000 2.082 56 R HA -0.119 4.221 4.340 0.000 0.000 0.234 56 R C 2.072 178.323 176.300 -0.082 0.000 1.136 56 R CA 1.770 57.830 56.100 -0.067 0.000 0.935 56 R CB -0.681 29.581 30.300 -0.063 0.000 0.842 56 R HN 0.552 nan 8.270 nan 0.000 0.430 57 L N 0.780 121.968 121.223 -0.058 0.000 2.189 57 L HA -0.212 4.128 4.340 0.000 0.000 0.214 57 L C 2.395 179.133 176.870 -0.219 0.000 1.097 57 L CA 0.617 55.392 54.840 -0.109 0.000 0.764 57 L CB -0.390 41.706 42.059 0.061 0.000 0.900 57 L HN 0.230 nan 8.230 nan 0.000 0.436 58 L N -0.345 120.860 121.223 -0.029 0.000 2.209 58 L HA 0.066 4.406 4.340 0.000 0.000 0.207 58 L C 2.535 179.352 176.870 -0.088 0.000 1.094 58 L CA 1.626 56.453 54.840 -0.022 0.000 0.790 58 L CB -0.446 41.641 42.059 0.046 0.000 0.932 58 L HN 0.070 nan 8.230 nan 0.000 0.447 59 A N -0.571 122.206 122.820 -0.071 0.000 1.929 59 A HA -0.181 4.139 4.320 0.000 0.000 0.216 59 A C 2.396 179.918 177.584 -0.104 0.000 1.176 59 A CA 1.565 53.571 52.037 -0.051 0.000 0.628 59 A CB -0.489 18.496 19.000 -0.025 0.000 0.816 59 A HN 0.437 nan 8.150 nan 0.000 0.444 60 K N -0.485 119.819 120.400 -0.160 0.000 2.147 60 K HA -0.085 4.235 4.320 0.000 0.000 0.205 60 K C 1.938 178.410 176.600 -0.212 0.000 1.049 60 K CA 1.260 57.419 56.287 -0.213 0.000 0.936 60 K CB -0.398 31.972 32.500 -0.217 0.000 0.722 60 K HN 0.399 nan 8.250 nan 0.000 0.446 61 G N 0.899 109.554 108.800 -0.243 0.000 2.394 61 G HA2 -0.188 3.772 3.960 0.000 0.000 0.214 61 G HA3 -0.188 3.772 3.960 0.000 0.000 0.214 61 G C 1.386 176.227 174.900 -0.099 0.000 1.176 61 G CA 0.401 45.357 45.100 -0.241 0.000 0.786 61 G HN 0.199 nan 8.290 nan 0.000 0.533 62 L N 0.435 121.630 121.223 -0.046 0.000 2.265 62 L HA 0.006 4.346 4.340 0.000 0.000 0.215 62 L C 2.086 179.077 176.870 0.202 0.000 1.117 62 L CA 0.635 55.526 54.840 0.086 0.000 0.782 62 L CB -0.081 41.993 42.059 0.024 0.000 0.914 62 L HN 0.163 nan 8.230 nan 0.000 0.441 63 N N -1.619 117.117 118.700 0.060 0.000 2.273 63 N HA 0.022 4.762 4.740 0.000 0.000 0.192 63 N C 0.402 175.884 175.510 -0.046 0.000 1.132 63 N CA -0.040 53.031 53.050 0.036 0.000 0.887 63 N CB 0.185 38.653 38.487 -0.032 0.000 1.048 63 N HN 0.172 nan 8.380 nan 0.000 0.490 64 C N 2.608 121.855 119.300 -0.089 0.000 2.378 64 C HA -0.055 4.405 4.460 0.000 0.000 0.395 64 C C 1.867 176.829 174.990 -0.047 0.000 1.476 64 C CA 0.124 59.085 59.018 -0.094 0.000 1.541 64 C CB -0.413 27.267 27.740 -0.100 0.000 2.524 64 C HN 0.458 nan 8.230 nan 0.000 0.595 65 E N 2.127 122.302 120.200 -0.042 0.000 2.331 65 E HA -0.143 4.207 4.350 0.000 0.000 0.199 65 E C 1.938 178.528 176.600 -0.017 0.000 1.008 65 E CA 1.710 58.100 56.400 -0.017 0.000 0.843 65 E CB 0.068 29.761 29.700 -0.012 0.000 0.761 65 E HN 0.890 nan 8.360 nan 0.000 0.507 66 T N -0.186 114.352 114.554 -0.027 0.000 2.867 66 T HA 0.054 4.404 4.350 0.000 0.000 0.268 66 T C 0.721 175.413 174.700 -0.013 0.000 1.057 66 T CA 0.930 63.016 62.100 -0.022 0.000 1.136 66 T CB 0.180 69.029 68.868 -0.032 0.000 0.874 66 T HN 0.425 nan 8.240 nan 0.000 0.466 67 G N -0.008 108.787 108.800 -0.009 0.000 2.352 67 G HA2 0.274 4.234 3.960 0.000 0.000 0.283 67 G HA3 0.274 4.234 3.960 0.000 0.000 0.283 67 G C -1.696 173.216 174.900 0.021 0.000 1.308 67 G CA -1.140 43.965 45.100 0.009 0.000 0.892 67 G HN 0.226 nan 8.290 nan 0.000 0.504 68 I N 1.715 122.314 120.570 0.048 0.000 2.352 68 I HA 0.480 4.650 4.170 0.000 0.000 0.290 68 I C 0.160 176.288 176.117 0.019 0.000 1.036 68 I CA 0.108 61.447 61.300 0.065 0.000 1.336 68 I CB 1.074 39.148 38.000 0.124 0.000 1.407 68 I HN 0.459 nan 8.210 nan 0.000 0.497 69 T N 3.862 118.401 114.554 -0.024 0.000 2.868 69 T HA 0.385 4.735 4.350 0.000 0.000 0.306 69 T C 0.554 175.187 174.700 -0.112 0.000 1.224 69 T CA -0.487 61.583 62.100 -0.050 0.000 1.012 69 T CB 1.981 70.813 68.868 -0.059 0.000 1.221 69 T HN 0.574 nan 8.240 nan 0.000 0.499 70 A N 0.737 123.506 122.820 -0.085 0.000 2.178 70 A HA 0.274 4.594 4.320 0.000 0.000 0.211 70 A C 1.027 178.484 177.584 -0.211 0.000 1.157 70 A CA 0.428 52.392 52.037 -0.121 0.000 0.780 70 A CB -0.227 18.806 19.000 0.055 0.000 0.828 70 A HN 0.763 nan 8.150 nan 0.000 0.476 71 T N 0.703 115.171 114.554 -0.144 0.000 3.331 71 T HA 0.503 4.853 4.350 0.000 0.000 0.381 71 T C -3.072 171.547 174.700 -0.134 0.000 1.656 71 T CA -1.638 60.386 62.100 -0.127 0.000 1.453 71 T CB 0.868 69.700 68.868 -0.061 0.000 1.066 71 T HN 0.012 nan 8.240 nan 0.000 0.655 72 P HA 0.308 nan 4.420 nan 0.000 0.276 72 P C 0.526 177.753 177.300 -0.122 0.000 1.230 72 P CA -0.748 62.258 63.100 -0.156 0.000 0.776 72 P CB 0.285 31.863 31.700 -0.204 0.000 0.888 73 C N 1.158 120.400 119.300 -0.096 0.000 2.593 73 C HA 0.538 4.998 4.460 0.000 0.000 0.409 73 C C 1.762 176.698 174.990 -0.090 0.000 1.304 73 C CA 0.008 58.978 59.018 -0.079 0.000 2.007 73 C CB -0.198 27.504 27.740 -0.063 0.000 2.614 73 C HN 0.765 nan 8.230 nan 0.000 0.585 74 G N 1.779 110.529 108.800 -0.085 0.000 3.124 74 G HA2 0.203 4.163 3.960 0.000 0.000 0.212 74 G HA3 0.203 4.163 3.960 0.000 0.000 0.212 74 G C 0.901 175.753 174.900 -0.081 0.000 1.181 74 G CA 0.783 45.828 45.100 -0.091 0.000 0.803 74 G HN 1.335 nan 8.290 nan 0.000 0.529 75 V N -1.237 118.635 119.914 -0.070 0.000 2.922 75 V HA 0.109 4.229 4.120 0.000 0.000 0.242 75 V C 1.981 178.044 176.094 -0.052 0.000 1.094 75 V CA -0.039 62.226 62.300 -0.058 0.000 1.106 75 V CB -1.315 30.479 31.823 -0.047 0.000 0.799 75 V HN 0.411 nan 8.190 nan 0.000 0.474 76 C N 1.599 120.866 119.300 -0.055 0.000 2.801 76 C HA 0.184 4.644 4.460 0.000 0.000 0.376 76 C C 1.793 176.756 174.990 -0.045 0.000 1.323 76 C CA 0.489 59.480 59.018 -0.044 0.000 2.170 76 C CB -0.076 27.637 27.740 -0.044 0.000 2.650 76 C HN 0.601 nan 8.230 nan 0.000 0.736 77 D N 1.071 121.458 120.400 -0.020 0.000 2.178 77 D HA -0.096 4.544 4.640 0.000 0.000 0.202 77 D C 1.754 178.047 176.300 -0.012 0.000 0.974 77 D CA 1.486 55.486 54.000 0.000 0.000 0.841 77 D CB -0.371 40.450 40.800 0.035 0.000 0.953 77 D HN 0.648 nan 8.370 nan 0.000 0.478 78 N N 0.566 119.235 118.700 -0.052 0.000 2.058 78 N HA -0.119 4.621 4.740 0.000 0.000 0.191 78 N C 2.028 177.327 175.510 -0.350 0.000 1.037 78 N CA 0.805 53.706 53.050 -0.249 0.000 0.848 78 N CB -0.859 37.481 38.487 -0.246 0.000 1.021 78 N HN 0.190 nan 8.380 nan 0.000 0.422 79 C N 0.827 119.991 119.300 -0.227 0.000 2.413 79 C HA -0.062 4.398 4.460 0.000 0.000 0.276 79 C C 2.659 177.553 174.990 -0.160 0.000 1.236 79 C CA 0.466 59.363 59.018 -0.201 0.000 1.735 79 C CB -0.999 26.652 27.740 -0.148 0.000 2.031 79 C HN 0.459 nan 8.230 nan 0.000 0.474 80 R N 0.513 120.945 120.500 -0.113 0.000 2.081 80 R HA -0.133 4.207 4.340 0.000 0.000 0.235 80 R C 2.159 178.421 176.300 -0.064 0.000 1.131 80 R CA 1.527 57.580 56.100 -0.079 0.000 0.960 80 R CB -0.277 29.991 30.300 -0.053 0.000 0.856 80 R HN 0.666 nan 8.270 nan 0.000 0.436 81 E N 0.294 120.466 120.200 -0.048 0.000 2.072 81 E HA -0.139 4.211 4.350 0.000 0.000 0.190 81 E C 2.004 178.594 176.600 -0.017 0.000 0.982 81 E CA 0.990 57.404 56.400 0.022 0.000 0.803 81 E CB -0.034 29.779 29.700 0.189 0.000 0.755 81 E HN 0.314 nan 8.360 nan 0.000 0.453 82 I N 1.111 121.582 120.570 -0.165 0.000 2.286 82 I HA -0.248 3.922 4.170 0.000 0.000 0.248 82 I C 2.480 178.541 176.117 -0.094 0.000 1.115 82 I CA 0.977 62.177 61.300 -0.167 0.000 1.392 82 I CB -0.125 37.684 38.000 -0.317 0.000 1.065 82 I HN 0.059 nan 8.210 nan 0.000 0.418 83 E N 1.217 121.358 120.200 -0.100 0.000 2.106 83 E HA -0.218 4.132 4.350 0.000 0.000 0.192 83 E C 2.052 178.622 176.600 -0.049 0.000 0.984 83 E CA 1.446 57.800 56.400 -0.076 0.000 0.806 83 E CB -0.083 29.566 29.700 -0.084 0.000 0.750 83 E HN 0.477 nan 8.360 nan 0.000 0.458 84 Q N -1.008 118.770 119.800 -0.038 0.000 2.472 84 Q HA 0.138 4.478 4.340 0.000 0.000 0.208 84 Q C 0.680 176.677 176.000 -0.005 0.000 0.958 84 Q CA 0.469 56.258 55.803 -0.022 0.000 0.932 84 Q CB 0.342 29.070 28.738 -0.017 0.000 1.007 84 Q HN 0.390 nan 8.270 nan 0.000 0.508 85 G N 1.971 110.772 108.800 0.001 0.000 2.272 85 G HA2 -0.306 3.654 3.960 0.000 0.000 0.280 85 G HA3 -0.306 3.654 3.960 0.000 0.000 0.280 85 G C -0.019 174.904 174.900 0.038 0.000 1.067 85 G CA 0.119 45.230 45.100 0.018 0.000 0.902 85 G HN 0.303 nan 8.290 nan 0.000 0.500 86 R N -0.941 119.597 120.500 0.064 0.000 2.647 86 R HA 0.316 4.656 4.340 0.000 0.000 0.295 86 R C -0.638 175.744 176.300 0.137 0.000 1.267 86 R CA -0.567 55.573 56.100 0.067 0.000 1.386 86 R CB 0.496 30.818 30.300 0.038 0.000 1.309 86 R HN 0.225 nan 8.270 nan 0.000 0.692 87 F N 0.408 120.337 119.950 -0.036 0.000 2.422 87 F HA 0.206 4.733 4.527 0.000 0.000 0.333 87 F C 1.473 177.247 175.800 -0.043 0.000 1.095 87 F CA -0.903 57.075 58.000 -0.036 0.000 1.038 87 F CB 1.234 40.214 39.000 -0.034 0.000 1.156 87 F HN -0.121 nan 8.300 nan 0.000 0.483 88 V N 2.178 121.732 119.914 -0.600 0.000 2.252 88 V HA -0.283 3.837 4.120 0.000 0.000 0.249 88 V C 1.519 177.375 176.094 -0.396 0.000 1.056 88 V CA 2.332 64.353 62.300 -0.465 0.000 1.022 88 V CB -0.634 30.881 31.823 -0.514 0.000 0.641 88 V HN 0.739 nan 8.190 nan 0.000 0.445 89 D N 0.054 120.083 120.400 -0.619 0.000 2.347 89 D HA 0.073 4.713 4.640 0.000 0.000 0.213 89 D C 0.895 177.217 176.300 0.037 0.000 0.985 89 D CA 0.288 54.160 54.000 -0.214 0.000 0.879 89 D CB 0.322 41.042 40.800 -0.134 0.000 0.919 89 D HN 0.345 nan 8.370 nan 0.000 0.526 90 L N 2.247 123.604 121.223 0.223 0.000 2.389 90 L HA 0.258 4.598 4.340 0.000 0.000 0.265 90 L C -0.347 176.512 176.870 -0.018 0.000 1.167 90 L CA -0.258 54.669 54.840 0.145 0.000 1.045 90 L CB -0.447 41.737 42.059 0.208 0.000 1.351 90 L HN -0.156 nan 8.230 nan 0.000 0.419 91 I N 3.920 124.374 120.570 -0.194 0.000 2.436 91 I HA 0.110 4.280 4.170 0.000 0.000 0.289 91 I C 0.156 176.184 176.117 -0.149 0.000 1.083 91 I CA 0.095 61.237 61.300 -0.263 0.000 1.372 91 I CB 0.335 37.972 38.000 -0.605 0.000 1.408 91 I HN 0.529 nan 8.210 nan 0.000 0.516 92 E N 7.100 127.271 120.200 -0.049 0.000 2.129 92 E HA 0.534 4.884 4.350 0.000 0.000 0.268 92 E C -0.940 175.684 176.600 0.039 0.000 0.900 92 E CA -0.601 55.808 56.400 0.014 0.000 0.755 92 E CB 2.001 31.715 29.700 0.023 0.000 1.117 92 E HN 0.390 nan 8.360 nan 0.000 0.410 93 I N 1.485 122.102 120.570 0.078 0.000 2.863 93 I HA 0.309 4.479 4.170 0.000 0.000 0.311 93 I C -0.428 175.739 176.117 0.083 0.000 1.026 93 I CA -0.558 60.795 61.300 0.088 0.000 1.077 93 I CB 1.594 39.673 38.000 0.132 0.000 1.262 93 I HN 0.381 nan 8.210 nan 0.000 0.461 94 D N 2.080 122.522 120.400 0.069 0.000 2.330 94 D HA 0.472 5.112 4.640 0.000 0.000 0.249 94 D C 0.395 176.723 176.300 0.046 0.000 1.306 94 D CA -0.356 53.678 54.000 0.056 0.000 0.956 94 D CB 1.274 42.101 40.800 0.044 0.000 1.261 94 D HN 0.584 nan 8.370 nan 0.000 0.544 95 A N 2.961 125.807 122.820 0.044 0.000 2.186 95 A HA 0.042 4.362 4.320 0.000 0.000 0.219 95 A C 2.163 179.748 177.584 0.003 0.000 1.159 95 A CA 1.696 53.751 52.037 0.030 0.000 0.680 95 A CB -0.437 18.578 19.000 0.024 0.000 0.787 95 A HN 0.637 nan 8.150 nan 0.000 0.467 96 A N 0.109 122.926 122.820 -0.004 0.000 1.933 96 A HA 0.075 4.395 4.320 0.000 0.000 0.218 96 A C 1.808 179.397 177.584 0.008 0.000 1.175 96 A CA 1.439 53.471 52.037 -0.008 0.000 0.628 96 A CB -0.795 18.205 19.000 0.001 0.000 0.814 96 A HN 0.948 nan 8.150 nan 0.000 0.444 97 S N -1.498 114.213 115.700 0.018 0.000 2.632 97 S HA 0.426 4.896 4.470 0.000 0.000 0.267 97 S C 0.635 175.248 174.600 0.022 0.000 1.276 97 S CA -0.432 57.780 58.200 0.020 0.000 0.998 97 S CB 0.958 64.171 63.200 0.022 0.000 0.953 97 S HN 0.418 nan 8.310 nan 0.000 0.547 98 R N 0.082 120.594 120.500 0.020 0.000 2.334 98 R HA 0.150 4.490 4.340 0.000 0.000 0.212 98 R C 0.416 176.727 176.300 0.019 0.000 0.897 98 R CA 0.345 56.458 56.100 0.020 0.000 1.056 98 R CB 0.031 30.342 30.300 0.017 0.000 1.046 98 R HN 0.643 nan 8.270 nan 0.000 0.513 99 T N 1.013 115.578 114.554 0.019 0.000 3.214 99 T HA 0.174 4.524 4.350 0.000 0.000 0.264 99 T C 0.038 174.750 174.700 0.019 0.000 1.012 99 T CA -0.106 62.004 62.100 0.017 0.000 0.901 99 T CB 0.210 69.087 68.868 0.015 0.000 1.070 99 T HN 0.024 nan 8.240 nan 0.000 0.561 100 K N 1.012 121.426 120.400 0.024 0.000 2.382 100 K HA 0.223 4.543 4.320 0.000 0.000 0.275 100 K C 1.088 177.702 176.600 0.024 0.000 1.009 100 K CA -0.413 55.890 56.287 0.027 0.000 0.970 100 K CB 1.042 33.564 32.500 0.037 0.000 0.934 100 K HN -0.107 nan 8.250 nan 0.000 0.479 101 V N 2.119 122.046 119.914 0.022 0.000 2.214 101 V HA -0.239 3.881 4.120 0.000 0.000 0.244 101 V C 0.599 176.707 176.094 0.023 0.000 1.045 101 V CA 1.635 63.946 62.300 0.019 0.000 0.993 101 V CB -0.258 31.575 31.823 0.016 0.000 0.633 101 V HN 0.746 nan 8.190 nan 0.000 0.449 102 E N 0.620 120.838 120.200 0.029 0.000 2.113 102 E HA 0.262 4.612 4.350 0.000 0.000 0.273 102 E C -1.259 175.370 176.600 0.050 0.000 0.924 102 E CA -0.541 55.882 56.400 0.037 0.000 0.764 102 E CB 1.089 30.813 29.700 0.040 0.000 1.104 102 E HN 0.408 nan 8.360 nan 0.000 0.406 103 D N 1.808 122.238 120.400 0.051 0.000 2.341 103 D HA 0.006 4.646 4.640 0.000 0.000 0.245 103 D C 1.175 177.525 176.300 0.084 0.000 1.106 103 D CA -0.023 54.015 54.000 0.063 0.000 0.905 103 D CB 1.059 41.892 40.800 0.055 0.000 1.202 103 D HN 0.336 nan 8.370 nan 0.000 0.426 104 T N 1.031 115.645 114.554 0.100 0.000 2.780 104 T HA -0.369 3.981 4.350 0.000 0.000 0.255 104 T C 1.765 176.537 174.700 0.120 0.000 1.065 104 T CA 2.086 64.261 62.100 0.125 0.000 1.155 104 T CB -0.227 68.715 68.868 0.124 0.000 0.837 104 T HN 0.464 nan 8.240 nan 0.000 0.479 105 R N 0.880 121.440 120.500 0.100 0.000 2.096 105 R HA -0.168 4.172 4.340 0.000 0.000 0.240 105 R C 2.108 178.461 176.300 0.087 0.000 1.139 105 R CA 2.145 58.297 56.100 0.087 0.000 0.952 105 R CB -0.310 30.040 30.300 0.083 0.000 0.854 105 R HN 0.457 nan 8.270 nan 0.000 0.436 106 D N 0.386 120.838 120.400 0.087 0.000 2.097 106 D HA -0.155 4.485 4.640 0.000 0.000 0.197 106 D C 2.037 178.409 176.300 0.119 0.000 0.984 106 D CA 1.155 55.207 54.000 0.088 0.000 0.826 106 D CB -0.210 40.633 40.800 0.072 0.000 0.973 106 D HN 0.290 nan 8.370 nan 0.000 0.460 107 L N 0.433 121.740 121.223 0.140 0.000 2.093 107 L HA -0.092 4.248 4.340 0.000 0.000 0.208 107 L C 2.424 179.461 176.870 0.279 0.000 1.085 107 L CA 0.575 55.535 54.840 0.200 0.000 0.755 107 L CB -0.263 41.919 42.059 0.205 0.000 0.904 107 L HN 0.008 nan 8.230 nan 0.000 0.435 108 L N -0.887 120.460 121.223 0.207 0.000 2.478 108 L HA -0.128 4.212 4.340 0.000 0.000 0.223 108 L C 2.113 179.034 176.870 0.085 0.000 1.140 108 L CA 0.470 55.388 54.840 0.130 0.000 0.842 108 L CB -0.525 41.577 42.059 0.072 0.000 0.953 108 L HN 0.343 nan 8.230 nan 0.000 0.452 109 D N 1.019 121.485 120.400 0.109 0.000 2.097 109 D HA -0.173 4.467 4.640 0.000 0.000 0.195 109 D C 1.151 177.514 176.300 0.106 0.000 0.989 109 D CA 1.048 55.101 54.000 0.089 0.000 0.827 109 D CB 0.184 41.043 40.800 0.099 0.000 0.966 109 D HN 0.322 nan 8.370 nan 0.000 0.456 110 N N 0.624 119.444 118.700 0.201 0.000 2.421 110 N HA -0.045 4.695 4.740 0.000 0.000 0.201 110 N C 1.641 177.302 175.510 0.251 0.000 1.198 110 N CA -0.046 53.197 53.050 0.322 0.000 0.838 110 N CB 0.632 39.424 38.487 0.508 0.000 1.011 110 N HN 0.108 nan 8.380 nan 0.000 0.463 111 V N 1.314 121.302 119.914 0.124 0.000 2.317 111 V HA -0.268 3.852 4.120 0.000 0.000 0.251 111 V C 2.051 178.197 176.094 0.085 0.000 1.065 111 V CA 1.729 64.061 62.300 0.054 0.000 1.049 111 V CB -0.306 31.462 31.823 -0.091 0.000 0.651 111 V HN 0.445 nan 8.190 nan 0.000 0.450 112 Q N -1.851 117.945 119.800 -0.007 0.000 2.482 112 Q HA -0.026 4.314 4.340 0.000 0.000 0.209 112 Q C -0.113 175.943 176.000 0.094 0.000 0.961 112 Q CA 0.186 56.011 55.803 0.037 0.000 0.945 112 Q CB -0.051 28.643 28.738 -0.073 0.000 1.012 112 Q HN 0.649 nan 8.270 nan 0.000 0.515 113 Y N 0.877 121.307 120.300 0.217 0.000 2.393 113 Y HA 0.222 4.772 4.550 0.000 0.000 0.338 113 Y C 0.748 176.700 175.900 0.087 0.000 1.029 113 Y CA -0.980 57.185 58.100 0.108 0.000 1.239 113 Y CB 0.600 39.108 38.460 0.080 0.000 1.170 113 Y HN 0.057 nan 8.280 nan 0.000 0.515 114 A N 7.347 130.141 122.820 -0.043 0.000 2.507 114 A HA 0.155 4.475 4.320 0.000 0.000 0.235 114 A C -2.127 175.437 177.584 -0.032 0.000 1.070 114 A CA -1.198 50.627 52.037 -0.352 0.000 0.768 114 A CB -0.477 18.314 19.000 -0.348 0.000 1.011 114 A HN 0.530 nan 8.150 nan 0.000 0.502 115 P HA 0.172 nan 4.420 nan 0.000 0.269 115 P C 0.300 177.567 177.300 -0.055 0.000 1.215 115 P CA 0.527 63.634 63.100 0.012 0.000 0.780 115 P CB 1.051 32.774 31.700 0.038 0.000 0.898 116 A N 2.091 124.855 122.820 -0.094 0.000 2.178 116 A HA 0.087 4.407 4.320 0.000 0.000 0.211 116 A C 1.089 178.598 177.584 -0.125 0.000 1.157 116 A CA 0.856 52.824 52.037 -0.114 0.000 0.780 116 A CB -0.392 18.524 19.000 -0.139 0.000 0.828 116 A HN 0.564 nan 8.150 nan 0.000 0.476 117 R N -2.251 118.164 120.500 -0.141 0.000 2.604 117 R HA 0.481 4.821 4.340 0.000 0.000 0.261 117 R C -0.255 176.057 176.300 0.021 0.000 1.080 117 R CA 0.542 56.584 56.100 -0.096 0.000 0.917 117 R CB 0.446 30.630 30.300 -0.193 0.000 1.252 117 R HN 1.372 nan 8.270 nan 0.000 0.456 118 G N 2.666 111.524 108.800 0.097 0.000 2.750 118 G HA2 -0.238 3.722 3.960 0.000 0.000 0.686 118 G HA3 -0.238 3.722 3.960 0.000 0.000 0.686 118 G C 0.170 175.084 174.900 0.023 0.000 1.395 118 G CA 0.039 45.229 45.100 0.150 0.000 0.918 118 G HN 0.767 nan 8.290 nan 0.000 0.594 119 R N -0.036 120.417 120.500 -0.080 0.000 2.119 119 R HA -0.078 4.262 4.340 0.000 0.000 0.246 119 R C 0.750 176.645 176.300 -0.674 0.000 1.146 119 R CA 1.951 57.797 56.100 -0.423 0.000 0.962 119 R CB -0.129 29.825 30.300 -0.577 0.000 0.863 119 R HN 0.410 nan 8.270 nan 0.000 0.442 120 F N -0.940 119.090 119.950 0.133 0.000 2.603 120 F HA 0.392 4.919 4.527 0.000 0.000 0.317 120 F C -0.102 175.789 175.800 0.153 0.000 1.066 120 F CA -1.237 56.850 58.000 0.146 0.000 0.941 120 F CB 1.508 40.581 39.000 0.122 0.000 1.291 120 F HN -0.365 nan 8.300 nan 0.000 0.472 121 K N 1.841 122.461 120.400 0.366 0.000 2.281 121 K HA 0.629 4.949 4.320 0.000 0.000 0.272 121 K C -1.621 175.101 176.600 0.205 0.000 1.048 121 K CA -0.330 56.102 56.287 0.241 0.000 0.898 121 K CB 1.036 33.720 32.500 0.307 0.000 1.128 121 K HN 0.499 nan 8.250 nan 0.000 0.460 122 V N 5.605 125.590 119.914 0.118 0.000 2.370 122 V HA 0.247 4.368 4.120 0.000 0.000 0.283 122 V C -0.967 175.096 176.094 -0.051 0.000 1.023 122 V CA -0.804 61.541 62.300 0.075 0.000 0.857 122 V CB 0.798 32.681 31.823 0.101 0.000 0.985 122 V HN 0.591 nan 8.190 nan 0.000 0.443 123 Y N 5.226 125.436 120.300 -0.152 0.000 2.367 123 Y HA 0.546 5.096 4.550 0.000 0.000 0.342 123 Y C -0.081 175.851 175.900 0.055 0.000 0.979 123 Y CA -0.787 57.269 58.100 -0.074 0.000 1.161 123 Y CB 1.490 39.829 38.460 -0.202 0.000 1.155 123 Y HN 0.495 nan 8.280 nan 0.000 0.503 124 L N 6.511 127.820 121.223 0.143 0.000 2.294 124 L HA 0.604 4.944 4.340 0.000 0.000 0.283 124 L C -1.123 175.851 176.870 0.173 0.000 1.015 124 L CA -0.870 54.069 54.840 0.165 0.000 0.831 124 L CB 0.213 42.333 42.059 0.102 0.000 1.217 124 L HN 0.455 nan 8.230 nan 0.000 0.420 125 I N 4.254 124.952 120.570 0.214 0.000 2.382 125 I HA 0.344 4.514 4.170 0.000 0.000 0.286 125 I C -0.551 175.663 176.117 0.162 0.000 1.002 125 I CA -0.718 60.694 61.300 0.187 0.000 1.135 125 I CB 1.631 39.761 38.000 0.217 0.000 1.288 125 I HN 0.474 nan 8.210 nan 0.000 0.448 126 D N 6.496 126.970 120.400 0.124 0.000 2.256 126 D HA 0.106 4.746 4.640 0.000 0.000 0.250 126 D C 0.243 176.593 176.300 0.084 0.000 1.093 126 D CA 0.372 54.438 54.000 0.109 0.000 0.882 126 D CB 0.930 41.779 40.800 0.082 0.000 1.185 126 D HN 0.411 nan 8.370 nan 0.000 0.437 127 E N 2.014 122.273 120.200 0.098 0.000 2.252 127 E HA -0.140 4.210 4.350 0.000 0.000 0.218 127 E C 1.482 178.053 176.600 -0.048 0.000 1.253 127 E CA 0.644 57.053 56.400 0.015 0.000 0.705 127 E CB -1.959 27.675 29.700 -0.110 0.000 1.172 127 E HN 0.427 nan 8.360 nan 0.000 0.369 128 V N -0.798 119.185 119.914 0.115 0.000 2.453 128 V HA -0.332 3.788 4.120 0.000 0.000 0.252 128 V C 2.391 178.592 176.094 0.179 0.000 1.068 128 V CA 2.330 64.725 62.300 0.159 0.000 1.070 128 V CB -1.047 30.901 31.823 0.209 0.000 0.664 128 V HN 0.682 nan 8.190 nan 0.000 0.461 129 H N -0.561 118.594 119.070 0.142 0.000 2.568 129 H HA 0.025 4.581 4.556 0.000 0.000 0.281 129 H C 1.553 176.907 175.328 0.042 0.000 1.028 129 H CA 1.293 57.390 56.048 0.081 0.000 1.199 129 H CB -0.203 29.588 29.762 0.048 0.000 1.352 129 H HN 0.406 nan 8.280 nan 0.000 0.605 130 M N 0.806 120.221 119.600 -0.309 0.000 2.337 130 M HA 0.235 4.715 4.480 0.000 0.000 0.256 130 M C 0.659 176.937 176.300 -0.037 0.000 1.075 130 M CA -0.309 54.865 55.300 -0.210 0.000 1.024 130 M CB 0.289 32.724 32.600 -0.274 0.000 1.429 130 M HN 0.105 nan 8.290 nan 0.000 0.497 131 L N 2.119 123.374 121.223 0.053 0.000 2.485 131 L HA 0.002 4.342 4.340 0.000 0.000 0.275 131 L C 0.977 177.915 176.870 0.113 0.000 1.207 131 L CA -0.193 54.725 54.840 0.129 0.000 0.855 131 L CB 0.370 42.579 42.059 0.250 0.000 1.114 131 L HN 0.307 nan 8.230 nan 0.000 0.485 132 S N 2.706 118.483 115.700 0.128 0.000 2.572 132 S HA 0.089 4.559 4.470 0.000 0.000 0.279 132 S C 1.164 175.815 174.600 0.084 0.000 1.341 132 S CA -0.562 57.719 58.200 0.135 0.000 1.043 132 S CB 0.970 64.348 63.200 0.297 0.000 0.887 132 S HN 0.763 nan 8.310 nan 0.000 0.516 133 R N 1.403 121.834 120.500 -0.115 0.000 2.139 133 R HA -0.220 4.120 4.340 0.000 0.000 0.243 133 R C 1.412 177.638 176.300 -0.124 0.000 1.145 133 R CA 2.159 58.161 56.100 -0.162 0.000 0.976 133 R CB -1.269 28.860 30.300 -0.285 0.000 0.866 133 R HN 0.864 nan 8.270 nan 0.000 0.449 134 H N 1.242 120.359 119.070 0.078 0.000 2.319 134 H HA -0.111 4.445 4.556 0.000 0.000 0.297 134 H C 2.430 177.803 175.328 0.075 0.000 1.097 134 H CA 2.352 58.438 56.048 0.065 0.000 1.285 134 H CB -0.110 29.681 29.762 0.048 0.000 1.368 134 H HN 0.519 nan 8.280 nan 0.000 0.495 135 S N -0.382 115.438 115.700 0.199 0.000 2.439 135 S HA -0.089 4.382 4.470 0.000 0.000 0.224 135 S C 1.943 176.608 174.600 0.108 0.000 1.029 135 S CA 0.217 58.499 58.200 0.137 0.000 0.946 135 S CB -0.536 62.745 63.200 0.135 0.000 0.797 135 S HN 0.348 nan 8.310 nan 0.000 0.504 136 F N 3.921 123.872 119.950 0.003 0.000 2.120 136 F HA -0.131 4.396 4.527 0.000 0.000 0.300 136 F C 2.072 177.847 175.800 -0.041 0.000 1.095 136 F CA 1.718 59.705 58.000 -0.021 0.000 1.249 136 F CB -0.509 38.473 39.000 -0.030 0.000 0.995 136 F HN 0.163 nan 8.300 nan 0.000 0.480 137 N N 0.471 119.246 118.700 0.125 0.000 2.309 137 N HA -0.127 4.613 4.740 0.000 0.000 0.182 137 N C 1.950 177.414 175.510 -0.077 0.000 1.018 137 N CA 1.077 54.142 53.050 0.026 0.000 0.876 137 N CB -0.419 38.108 38.487 0.066 0.000 0.972 137 N HN 0.432 nan 8.380 nan 0.000 0.434 138 A N 1.081 123.864 122.820 -0.062 0.000 1.930 138 A HA -0.079 4.241 4.320 0.000 0.000 0.217 138 A C 2.191 179.672 177.584 -0.172 0.000 1.175 138 A CA 0.777 52.769 52.037 -0.076 0.000 0.627 138 A CB -0.474 18.514 19.000 -0.021 0.000 0.815 138 A HN 0.213 nan 8.150 nan 0.000 0.443 139 L N -0.503 120.560 121.223 -0.266 0.000 2.156 139 L HA 0.032 4.372 4.340 0.000 0.000 0.208 139 L C 2.122 178.703 176.870 -0.481 0.000 1.095 139 L CA 1.327 55.911 54.840 -0.426 0.000 0.770 139 L CB -0.430 41.337 42.059 -0.487 0.000 0.914 139 L HN 0.373 nan 8.230 nan 0.000 0.439 140 L N -0.708 120.253 121.223 -0.435 0.000 2.046 140 L HA -0.211 4.129 4.340 0.000 0.000 0.208 140 L C 2.547 179.281 176.870 -0.227 0.000 1.077 140 L CA 1.408 56.048 54.840 -0.332 0.000 0.747 140 L CB -0.408 41.517 42.059 -0.224 0.000 0.896 140 L HN 0.279 nan 8.230 nan 0.000 0.432 141 K N -0.860 119.429 120.400 -0.185 0.000 2.103 141 K HA -0.092 4.228 4.320 0.000 0.000 0.204 141 K C 1.975 178.479 176.600 -0.159 0.000 1.052 141 K CA 1.662 57.868 56.287 -0.135 0.000 0.945 141 K CB -0.191 32.252 32.500 -0.094 0.000 0.722 141 K HN 0.324 nan 8.250 nan 0.000 0.443 142 T N 2.161 116.584 114.554 -0.219 0.000 2.821 142 T HA -0.071 4.279 4.350 0.000 0.000 0.267 142 T C 1.897 176.443 174.700 -0.257 0.000 1.046 142 T CA 0.920 62.882 62.100 -0.230 0.000 1.139 142 T CB -0.148 68.543 68.868 -0.294 0.000 0.871 142 T HN 0.105 nan 8.240 nan 0.000 0.454 143 L N 0.691 121.710 121.223 -0.339 0.000 2.201 143 L HA -0.047 4.293 4.340 0.000 0.000 0.212 143 L C 2.655 179.448 176.870 -0.129 0.000 1.105 143 L CA 1.157 55.843 54.840 -0.258 0.000 0.775 143 L CB -0.569 41.314 42.059 -0.293 0.000 0.913 143 L HN 0.352 nan 8.230 nan 0.000 0.440 144 E N 0.362 120.488 120.200 -0.123 0.000 2.106 144 E HA -0.136 4.214 4.350 0.000 0.000 0.192 144 E C 0.265 176.828 176.600 -0.060 0.000 0.984 144 E CA 0.874 57.229 56.400 -0.074 0.000 0.806 144 E CB 0.132 29.790 29.700 -0.071 0.000 0.750 144 E HN 0.487 nan 8.360 nan 0.000 0.458 145 E N 0.841 120.990 120.200 -0.085 0.000 3.386 145 E HA 0.167 4.517 4.350 0.000 0.000 0.236 145 E C -2.557 173.971 176.600 -0.118 0.000 1.227 145 E CA -1.364 54.985 56.400 -0.085 0.000 0.970 145 E CB 1.438 31.100 29.700 -0.064 0.000 1.343 145 E HN 0.076 nan 8.360 nan 0.000 0.397 146 P HA 0.237 nan 4.420 nan 0.000 0.292 146 P C -2.483 174.672 177.300 -0.243 0.000 1.287 146 P CA -1.658 61.332 63.100 -0.183 0.000 0.800 146 P CB 0.725 32.320 31.700 -0.175 0.000 0.945 147 P HA 0.096 nan 4.420 nan 0.000 0.268 147 P C 0.791 177.962 177.300 -0.214 0.000 1.204 147 P CA 0.131 63.106 63.100 -0.208 0.000 0.768 147 P CB 1.068 32.570 31.700 -0.331 0.000 0.842 148 E N 0.936 121.104 120.200 -0.053 0.000 2.463 148 E HA -0.214 4.136 4.350 0.000 0.000 0.201 148 E C 1.075 177.792 176.600 0.195 0.000 1.045 148 E CA 0.743 57.184 56.400 0.068 0.000 0.872 148 E CB -0.210 29.567 29.700 0.128 0.000 0.797 148 E HN 0.651 nan 8.360 nan 0.000 0.538 149 H N -3.108 116.059 119.070 0.162 0.000 2.551 149 H HA 0.283 4.839 4.556 0.000 0.000 0.271 149 H C -0.049 175.453 175.328 0.289 0.000 0.984 149 H CA -0.400 55.776 56.048 0.214 0.000 1.164 149 H CB 0.221 30.030 29.762 0.078 0.000 1.437 149 H HN -0.161 nan 8.280 nan 0.000 0.550 150 V N 1.280 121.132 119.914 -0.103 0.000 2.715 150 V HA 0.402 4.522 4.120 0.000 0.000 0.310 150 V C -0.419 175.653 176.094 -0.037 0.000 1.054 150 V CA -1.077 61.179 62.300 -0.073 0.000 0.928 150 V CB 2.086 33.739 31.823 -0.284 0.000 1.007 150 V HN 0.222 nan 8.190 nan 0.000 0.437 151 K N 2.690 123.033 120.400 -0.094 0.000 2.422 151 K HA 0.596 4.916 4.320 0.000 0.000 0.251 151 K C -1.630 174.863 176.600 -0.179 0.000 0.933 151 K CA -0.340 55.933 56.287 -0.024 0.000 0.798 151 K CB 2.445 34.960 32.500 0.024 0.000 1.238 151 K HN 0.464 nan 8.250 nan 0.000 0.428 152 F N 2.472 122.544 119.950 0.203 0.000 2.402 152 F HA 0.411 4.938 4.527 0.000 0.000 0.355 152 F C 0.318 176.267 175.800 0.249 0.000 1.123 152 F CA -0.734 57.388 58.000 0.204 0.000 1.021 152 F CB 1.095 40.156 39.000 0.103 0.000 1.160 152 F HN 0.087 nan 8.300 nan 0.000 0.451 153 L N 6.027 127.474 121.223 0.373 0.000 2.335 153 L HA 0.440 4.780 4.340 0.000 0.000 0.268 153 L C -0.574 176.512 176.870 0.360 0.000 1.037 153 L CA -0.316 54.754 54.840 0.383 0.000 0.895 153 L CB 0.383 42.634 42.059 0.320 0.000 1.266 153 L HN 0.517 nan 8.230 nan 0.000 0.439 154 L N 2.517 123.935 121.223 0.326 0.000 2.399 154 L HA 0.847 5.187 4.340 0.000 0.000 0.265 154 L C 0.309 177.352 176.870 0.288 0.000 1.089 154 L CA -0.446 54.552 54.840 0.264 0.000 0.802 154 L CB 1.500 43.672 42.059 0.187 0.000 1.180 154 L HN 0.611 nan 8.230 nan 0.000 0.454 155 A N 0.823 123.796 122.820 0.255 0.000 2.547 155 A HA 0.720 5.040 4.320 0.000 0.000 0.297 155 A C -0.796 176.917 177.584 0.214 0.000 1.056 155 A CA -0.399 51.797 52.037 0.264 0.000 0.688 155 A CB 2.148 21.307 19.000 0.265 0.000 1.282 155 A HN 0.567 nan 8.150 nan 0.000 0.400 156 T N -0.073 114.598 114.554 0.194 0.000 2.923 156 T HA 0.518 4.868 4.350 0.000 0.000 0.311 156 T C 0.580 175.357 174.700 0.127 0.000 1.183 156 T CA 0.456 62.689 62.100 0.221 0.000 1.020 156 T CB 1.736 70.749 68.868 0.241 0.000 1.165 156 T HN 0.539 nan 8.240 nan 0.000 0.482 157 T N 1.698 116.338 114.554 0.143 0.000 3.035 157 T HA 0.155 4.505 4.350 0.000 0.000 0.259 157 T C 0.055 174.715 174.700 -0.068 0.000 1.078 157 T CA 0.578 62.710 62.100 0.053 0.000 1.132 157 T CB -0.005 68.935 68.868 0.120 0.000 0.900 157 T HN 0.456 nan 8.240 nan 0.000 0.480 158 D N 0.587 120.815 120.400 -0.287 0.000 2.412 158 D HA 0.294 4.934 4.640 0.000 0.000 0.276 158 D C -2.068 174.081 176.300 -0.252 0.000 1.196 158 D CA -2.112 51.682 54.000 -0.343 0.000 0.905 158 D CB 1.665 42.084 40.800 -0.634 0.000 1.081 158 D HN 0.030 nan 8.370 nan 0.000 0.502 159 P HA -0.154 nan 4.420 nan 0.000 0.218 159 P C 1.673 178.959 177.300 -0.022 0.000 1.149 159 P CA 0.987 64.079 63.100 -0.013 0.000 0.817 159 P CB 0.340 32.065 31.700 0.042 0.000 0.785 160 Q N 0.960 120.738 119.800 -0.037 0.000 2.077 160 Q HA -0.209 4.131 4.340 0.000 0.000 0.206 160 Q C 1.701 177.677 176.000 -0.040 0.000 0.989 160 Q CA 1.645 57.428 55.803 -0.034 0.000 0.853 160 Q CB -1.368 27.349 28.738 -0.035 0.000 0.907 160 Q HN 0.292 nan 8.270 nan 0.000 0.418 161 K N 0.510 120.870 120.400 -0.068 0.000 2.442 161 K HA 0.004 4.324 4.320 0.000 0.000 0.200 161 K C 0.677 177.261 176.600 -0.026 0.000 1.045 161 K CA 0.330 56.586 56.287 -0.052 0.000 0.937 161 K CB -0.204 32.258 32.500 -0.064 0.000 0.757 161 K HN 0.225 nan 8.250 nan 0.000 0.474 162 L N 2.068 123.294 121.223 0.005 0.000 2.375 162 L HA 0.233 4.573 4.340 0.000 0.000 0.271 162 L C -1.922 174.964 176.870 0.027 0.000 1.107 162 L CA -2.183 52.685 54.840 0.046 0.000 0.806 162 L CB 0.406 42.534 42.059 0.115 0.000 1.146 162 L HN -0.062 nan 8.230 nan 0.000 0.447 163 P HA 0.112 nan 4.420 nan 0.000 0.278 163 P C 0.728 178.055 177.300 0.046 0.000 1.258 163 P CA -0.531 62.589 63.100 0.033 0.000 0.811 163 P CB 1.541 33.268 31.700 0.046 0.000 1.063 164 V N 0.974 120.898 119.914 0.018 0.000 2.469 164 V HA -0.236 3.884 4.120 0.000 0.000 0.251 164 V C 2.600 178.698 176.094 0.007 0.000 1.064 164 V CA 2.798 65.101 62.300 0.004 0.000 1.066 164 V CB -2.119 29.699 31.823 -0.008 0.000 0.667 164 V HN 0.700 nan 8.190 nan 0.000 0.461 165 T N -0.561 114.009 114.554 0.027 0.000 2.685 165 T HA -0.283 4.067 4.350 0.000 0.000 0.268 165 T C 1.847 176.548 174.700 0.001 0.000 1.034 165 T CA 2.226 64.338 62.100 0.020 0.000 1.149 165 T CB -0.371 68.529 68.868 0.054 0.000 0.860 165 T HN 0.463 nan 8.240 nan 0.000 0.449 166 I N 0.181 120.773 120.570 0.037 0.000 2.494 166 I HA 0.125 4.295 4.170 0.000 0.000 0.250 166 I C 2.153 178.256 176.117 -0.024 0.000 1.112 166 I CA 0.479 61.776 61.300 -0.005 0.000 1.438 166 I CB 0.028 38.062 38.000 0.056 0.000 1.111 166 I HN 0.161 nan 8.210 nan 0.000 0.431 167 L N 0.405 121.625 121.223 -0.005 0.000 2.131 167 L HA -0.182 4.158 4.340 0.000 0.000 0.210 167 L C 2.525 179.355 176.870 -0.067 0.000 1.092 167 L CA 1.537 56.356 54.840 -0.035 0.000 0.759 167 L CB -0.848 41.197 42.059 -0.023 0.000 0.903 167 L HN 0.350 nan 8.230 nan 0.000 0.435 168 S N -0.543 115.123 115.700 -0.057 0.000 2.522 168 S HA -0.051 4.419 4.470 0.000 0.000 0.227 168 S C 1.640 176.189 174.600 -0.086 0.000 0.986 168 S CA 0.297 58.455 58.200 -0.070 0.000 0.929 168 S CB -0.162 63.007 63.200 -0.051 0.000 0.769 168 S HN 0.443 nan 8.310 nan 0.000 0.529 169 R N -0.234 120.214 120.500 -0.088 0.000 2.586 169 R HA 0.432 4.772 4.340 0.000 0.000 0.336 169 R C -0.828 175.401 176.300 -0.118 0.000 1.060 169 R CA -0.226 55.818 56.100 -0.093 0.000 1.079 169 R CB 0.285 30.536 30.300 -0.082 0.000 1.317 169 R HN 0.337 nan 8.270 nan 0.000 0.568 170 C N -0.126 119.080 119.300 -0.157 0.000 3.171 170 C HA 0.454 4.914 4.460 0.000 0.000 0.308 170 C C -1.111 173.691 174.990 -0.313 0.000 1.334 170 C CA -1.110 57.784 59.018 -0.207 0.000 1.473 170 C CB 1.761 29.419 27.740 -0.138 0.000 1.866 170 C HN 0.238 nan 8.230 nan 0.000 0.465 171 L N 2.333 123.293 121.223 -0.438 0.000 2.276 171 L HA 0.410 4.750 4.340 0.000 0.000 0.286 171 L C -0.038 176.565 176.870 -0.445 0.000 1.024 171 L CA 0.442 54.958 54.840 -0.541 0.000 0.826 171 L CB 0.614 42.208 42.059 -0.776 0.000 1.211 171 L HN 0.690 nan 8.230 nan 0.000 0.422 172 Q N 3.831 123.392 119.800 -0.399 0.000 2.340 172 Q HA 0.374 4.714 4.340 0.000 0.000 0.249 172 Q C -1.440 174.301 176.000 -0.431 0.000 0.957 172 Q CA 0.204 55.834 55.803 -0.289 0.000 0.882 172 Q CB 1.282 29.927 28.738 -0.155 0.000 1.235 172 Q HN 0.499 nan 8.270 nan 0.000 0.439 173 F N 0.927 120.823 119.950 -0.090 0.000 2.671 173 F HA 0.196 4.724 4.527 0.000 0.000 0.332 173 F C -0.168 175.700 175.800 0.114 0.000 1.189 173 F CA -0.640 57.378 58.000 0.031 0.000 0.988 173 F CB 1.271 40.310 39.000 0.064 0.000 1.258 173 F HN 0.503 nan 8.300 nan 0.000 0.471 174 H N 4.680 123.901 119.070 0.252 0.000 2.487 174 H HA 0.590 5.146 4.556 0.000 0.000 0.333 174 H C -1.057 174.383 175.328 0.188 0.000 1.114 174 H CA -0.329 55.826 56.048 0.178 0.000 1.310 174 H CB 1.539 31.358 29.762 0.096 0.000 1.462 174 H HN 0.547 nan 8.280 nan 0.000 0.516 175 L N 5.450 126.709 121.223 0.060 0.000 2.319 175 L HA 0.261 4.601 4.340 0.000 0.000 0.281 175 L C 0.278 177.244 176.870 0.160 0.000 1.005 175 L CA -0.985 53.920 54.840 0.108 0.000 0.828 175 L CB 1.401 43.478 42.059 0.030 0.000 1.227 175 L HN 0.388 nan 8.230 nan 0.000 0.415 179 D N 0.901 121.309 120.400 0.014 0.000 2.424 179 D HA 0.131 4.771 4.640 0.000 0.000 0.244 179 D C 0.950 177.257 176.300 0.011 0.000 1.134 179 D CA 0.083 54.091 54.000 0.013 0.000 0.881 179 D CB 2.031 42.837 40.800 0.009 0.000 1.191 179 D HN 0.286 nan 8.370 nan 0.000 0.445 180 V N 4.352 124.274 119.914 0.012 0.000 2.332 180 V HA -0.243 3.877 4.120 0.000 0.000 0.248 180 V C 2.000 178.104 176.094 0.016 0.000 1.055 180 V CA 1.857 64.164 62.300 0.012 0.000 1.038 180 V CB -0.549 31.280 31.823 0.011 0.000 0.651 180 V HN 0.647 nan 8.190 nan 0.000 0.450 181 E N -0.705 119.506 120.200 0.019 0.000 2.516 181 E HA -0.186 4.164 4.350 0.000 0.000 0.199 181 E C 2.062 178.684 176.600 0.037 0.000 1.069 181 E CA 0.367 56.785 56.400 0.030 0.000 0.876 181 E CB 0.033 29.748 29.700 0.026 0.000 0.843 181 E HN 0.653 nan 8.360 nan 0.000 0.530 182 Q N 0.241 120.053 119.800 0.020 0.000 2.226 182 Q HA 0.024 4.364 4.340 0.000 0.000 0.199 182 Q C 2.062 178.079 176.000 0.028 0.000 0.945 182 Q CA 0.370 56.176 55.803 0.005 0.000 0.861 182 Q CB 0.345 29.076 28.738 -0.011 0.000 0.953 182 Q HN 0.258 nan 8.270 nan 0.000 0.490 183 I N 0.417 120.999 120.570 0.021 0.000 2.286 183 I HA -0.239 3.931 4.170 0.000 0.000 0.245 183 I C 2.641 178.769 176.117 0.018 0.000 1.104 183 I CA 0.784 62.092 61.300 0.014 0.000 1.397 183 I CB -0.303 37.696 38.000 -0.001 0.000 1.072 183 I HN 0.189 nan 8.210 nan 0.000 0.417 184 R N 0.527 121.042 120.500 0.025 0.000 2.091 184 R HA -0.257 4.083 4.340 0.000 0.000 0.238 184 R C 2.454 178.776 176.300 0.036 0.000 1.136 184 R CA 1.788 57.897 56.100 0.014 0.000 0.959 184 R CB -0.721 29.591 30.300 0.021 0.000 0.856 184 R HN 0.449 nan 8.270 nan 0.000 0.437 185 H N 0.223 119.285 119.070 -0.014 0.000 2.421 185 H HA -0.125 4.431 4.556 0.000 0.000 0.298 185 H C 1.647 176.978 175.328 0.006 0.000 1.087 185 H CA 1.899 57.948 56.048 0.000 0.000 1.330 185 H CB 0.282 30.042 29.762 -0.003 0.000 1.388 185 H HN 0.234 nan 8.280 nan 0.000 0.526 186 Q N 0.320 120.226 119.800 0.175 0.000 2.269 186 Q HA 0.057 4.397 4.340 0.000 0.000 0.201 186 Q C 2.562 178.570 176.000 0.013 0.000 0.946 186 Q CA 0.569 56.445 55.803 0.122 0.000 0.877 186 Q CB -0.052 28.734 28.738 0.079 0.000 0.963 186 Q HN 0.480 nan 8.270 nan 0.000 0.472 187 L N -0.088 121.096 121.223 -0.064 0.000 2.072 187 L HA -0.084 4.256 4.340 0.000 0.000 0.205 187 L C 2.353 179.074 176.870 -0.249 0.000 1.079 187 L CA 1.435 56.168 54.840 -0.179 0.000 0.752 187 L CB -0.372 41.581 42.059 -0.175 0.000 0.906 187 L HN 0.366 nan 8.230 nan 0.000 0.436 188 E N -0.583 119.488 120.200 -0.214 0.000 2.130 188 E HA -0.313 4.037 4.350 0.000 0.000 0.196 188 E C 2.201 178.701 176.600 -0.168 0.000 0.998 188 E CA 1.375 57.620 56.400 -0.259 0.000 0.806 188 E CB -0.037 29.571 29.700 -0.153 0.000 0.738 188 E HN 0.468 nan 8.360 nan 0.000 0.459 189 H N 0.170 119.128 119.070 -0.187 0.000 2.333 189 H HA -0.038 4.518 4.556 0.000 0.000 0.302 189 H C 2.266 177.585 175.328 -0.014 0.000 1.075 189 H CA 1.516 57.512 56.048 -0.085 0.000 1.348 189 H CB -0.005 29.735 29.762 -0.037 0.000 1.393 189 H HN 0.230 nan 8.280 nan 0.000 0.509 190 I N 0.789 121.393 120.570 0.058 0.000 2.163 190 I HA -0.316 3.854 4.170 0.000 0.000 0.243 190 I C 2.618 178.691 176.117 -0.073 0.000 1.085 190 I CA 0.923 62.225 61.300 0.002 0.000 1.347 190 I CB -0.205 37.426 38.000 -0.616 0.000 1.044 190 I HN 0.204 nan 8.210 nan 0.000 0.408 191 L N 0.226 121.315 121.223 -0.225 0.000 2.046 191 L HA -0.231 4.109 4.340 0.000 0.000 0.208 191 L C 2.285 179.167 176.870 0.020 0.000 1.077 191 L CA 1.209 55.964 54.840 -0.142 0.000 0.747 191 L CB -0.830 41.044 42.059 -0.309 0.000 0.896 191 L HN 0.316 nan 8.230 nan 0.000 0.432 192 N N 0.232 118.922 118.700 -0.016 0.000 2.120 192 N HA -0.236 4.504 4.740 0.000 0.000 0.188 192 N C 1.773 177.312 175.510 0.047 0.000 1.024 192 N CA 1.309 54.357 53.050 -0.003 0.000 0.852 192 N CB -0.186 38.253 38.487 -0.080 0.000 1.003 192 N HN 0.377 nan 8.380 nan 0.000 0.424 193 E N 0.408 120.635 120.200 0.045 0.000 2.409 193 E HA -0.091 4.259 4.350 0.000 0.000 0.198 193 E C 0.658 177.428 176.600 0.284 0.000 1.024 193 E CA 0.735 57.223 56.400 0.146 0.000 0.861 193 E CB 0.246 30.014 29.700 0.113 0.000 0.788 193 E HN 0.216 nan 8.360 nan 0.000 0.521 194 E N -0.384 120.000 120.200 0.308 0.000 2.476 194 E HA 0.017 4.367 4.350 0.000 0.000 0.199 194 E C -0.428 176.353 176.600 0.301 0.000 1.021 194 E CA 0.089 56.658 56.400 0.280 0.000 0.907 194 E CB 0.153 30.047 29.700 0.324 0.000 0.974 194 E HN 0.399 nan 8.360 nan 0.000 0.489 195 H N -0.017 119.092 119.070 0.065 0.000 2.770 195 H HA -0.160 4.396 4.556 0.000 0.000 0.309 195 H C -0.216 175.146 175.328 0.056 0.000 1.206 195 H CA 0.235 56.313 56.048 0.050 0.000 1.147 195 H CB -1.852 27.933 29.762 0.037 0.000 1.422 195 H HN 0.149 nan 8.280 nan 0.000 0.420 196 I N 0.993 121.663 120.570 0.166 0.000 2.339 196 I HA 0.400 4.570 4.170 0.000 0.000 0.290 196 I C 1.002 177.204 176.117 0.141 0.000 0.994 196 I CA -0.430 60.941 61.300 0.119 0.000 1.191 196 I CB 1.470 39.517 38.000 0.078 0.000 1.343 196 I HN 0.276 nan 8.210 nan 0.000 0.458 197 A N 7.390 130.265 122.820 0.092 0.000 2.531 197 A HA 0.232 4.552 4.320 0.000 0.000 0.236 197 A C -0.114 177.540 177.584 0.118 0.000 1.062 197 A CA 0.487 52.558 52.037 0.056 0.000 0.760 197 A CB -0.103 18.904 19.000 0.011 0.000 0.995 197 A HN 0.906 nan 8.150 nan 0.000 0.501 198 H N 0.226 119.276 119.070 -0.033 0.000 3.112 198 H HA 0.450 5.006 4.556 0.000 0.000 0.347 198 H C -1.556 173.751 175.328 -0.035 0.000 1.188 198 H CA -0.787 55.239 56.048 -0.037 0.000 1.240 198 H CB 0.597 30.330 29.762 -0.049 0.000 1.920 198 H HN 0.643 nan 8.280 nan 0.000 0.535 199 E N 3.448 123.673 120.200 0.041 0.000 2.197 199 E HA 0.193 4.543 4.350 0.000 0.000 0.281 199 E C -1.938 174.702 176.600 0.066 0.000 0.995 199 E CA -2.031 54.368 56.400 -0.001 0.000 0.808 199 E CB 2.030 31.729 29.700 -0.002 0.000 1.093 199 E HN 0.370 nan 8.360 nan 0.000 0.394 200 P HA -0.216 nan 4.420 nan 0.000 0.217 200 P C 0.879 178.202 177.300 0.038 0.000 1.148 200 P CA 1.402 64.538 63.100 0.060 0.000 0.834 200 P CB 0.214 31.928 31.700 0.024 0.000 0.783 201 R N -0.801 119.712 120.500 0.022 0.000 2.090 201 R HA 0.020 4.360 4.340 0.000 0.000 0.228 201 R C 2.329 178.636 176.300 0.012 0.000 1.110 201 R CA 1.251 57.358 56.100 0.012 0.000 0.973 201 R CB -0.977 29.326 30.300 0.004 0.000 0.869 201 R HN 0.147 nan 8.270 nan 0.000 0.440 202 A N 1.558 124.390 122.820 0.019 0.000 1.908 202 A HA -0.146 4.174 4.320 0.000 0.000 0.218 202 A C 2.154 179.738 177.584 -0.001 0.000 1.181 202 A CA 1.271 53.315 52.037 0.012 0.000 0.627 202 A CB -0.594 18.422 19.000 0.025 0.000 0.818 202 A HN 0.181 nan 8.150 nan 0.000 0.445 203 L N -1.445 119.780 121.223 0.004 0.000 2.141 203 L HA -0.190 4.150 4.340 0.000 0.000 0.209 203 L C 2.787 179.644 176.870 -0.021 0.000 1.094 203 L CA 1.507 56.328 54.840 -0.030 0.000 0.763 203 L CB -0.515 41.515 42.059 -0.048 0.000 0.908 203 L HN 0.422 nan 8.230 nan 0.000 0.437 204 Q N 0.587 120.384 119.800 -0.005 0.000 2.083 204 Q HA -0.091 4.249 4.340 0.000 0.000 0.198 204 Q C 2.198 178.194 176.000 -0.007 0.000 0.969 204 Q CA 1.282 57.083 55.803 -0.003 0.000 0.838 204 Q CB -0.149 28.592 28.738 0.004 0.000 0.900 204 Q HN 0.453 nan 8.270 nan 0.000 0.436 205 L N -0.214 121.005 121.223 -0.008 0.000 2.450 205 L HA -0.135 4.205 4.340 0.000 0.000 0.224 205 L C 1.785 178.646 176.870 -0.015 0.000 1.149 205 L CA 0.570 55.404 54.840 -0.010 0.000 0.816 205 L CB -0.287 41.766 42.059 -0.010 0.000 0.932 205 L HN 0.254 nan 8.230 nan 0.000 0.449 206 L N -0.992 120.218 121.223 -0.021 0.000 2.269 206 L HA 0.089 4.429 4.340 0.000 0.000 0.200 206 L C 2.829 179.684 176.870 -0.026 0.000 1.069 206 L CA 0.705 55.528 54.840 -0.029 0.000 0.804 206 L CB -0.475 41.556 42.059 -0.047 0.000 0.987 206 L HN 0.131 nan 8.230 nan 0.000 0.468 207 A N 0.472 123.278 122.820 -0.023 0.000 1.940 207 A HA -0.281 4.039 4.320 0.000 0.000 0.219 207 A C 2.287 179.867 177.584 -0.008 0.000 1.176 207 A CA 2.152 54.180 52.037 -0.016 0.000 0.631 207 A CB -0.496 18.498 19.000 -0.010 0.000 0.814 207 A HN 0.303 nan 8.150 nan 0.000 0.446 208 R N -0.005 120.491 120.500 -0.006 0.000 2.062 208 R HA -0.002 4.338 4.340 0.000 0.000 0.231 208 R C 2.247 178.545 176.300 -0.003 0.000 1.136 208 R CA 1.967 58.066 56.100 -0.002 0.000 0.948 208 R CB -0.932 29.367 30.300 -0.002 0.000 0.845 208 R HN 0.373 nan 8.270 nan 0.000 0.430 209 A N 1.005 123.821 122.820 -0.007 0.000 1.859 209 A HA -0.028 4.292 4.320 0.000 0.000 0.218 209 A C 1.308 178.889 177.584 -0.005 0.000 1.209 209 A CA 1.573 53.605 52.037 -0.007 0.000 0.639 209 A CB -1.499 17.494 19.000 -0.012 0.000 0.835 209 A HN 0.564 nan 8.150 nan 0.000 0.450 210 A N 0.628 123.443 122.820 -0.008 0.000 2.515 210 A HA 0.345 4.665 4.320 0.000 0.000 0.263 210 A C -0.084 177.501 177.584 0.001 0.000 1.096 210 A CA -0.110 51.923 52.037 -0.006 0.000 0.769 210 A CB -0.354 18.639 19.000 -0.012 0.000 1.040 210 A HN 0.545 nan 8.150 nan 0.000 0.505 211 E N 2.059 122.263 120.200 0.007 0.000 1.932 211 E HA 0.366 4.716 4.350 0.000 0.000 0.275 211 E C 1.285 177.895 176.600 0.016 0.000 1.159 211 E CA 0.658 57.066 56.400 0.012 0.000 0.905 211 E CB 0.186 29.896 29.700 0.016 0.000 1.059 211 E HN 1.124 nan 8.360 nan 0.000 0.400 212 G N 3.351 112.160 108.800 0.015 0.000 2.196 212 G HA2 -0.358 3.602 3.960 0.000 0.000 0.268 212 G HA3 -0.358 3.602 3.960 0.000 0.000 0.268 212 G C 0.331 175.239 174.900 0.013 0.000 0.975 212 G CA 0.804 45.915 45.100 0.019 0.000 0.648 212 G HN 0.619 nan 8.290 nan 0.000 0.538 213 S N -0.853 114.852 115.700 0.007 0.000 2.500 213 S HA 0.724 5.194 4.470 0.000 0.000 0.301 213 S C 0.880 175.478 174.600 -0.003 0.000 1.092 213 S CA -0.246 57.955 58.200 0.002 0.000 1.030 213 S CB 2.324 65.526 63.200 0.003 0.000 1.031 213 S HN 0.550 nan 8.310 nan 0.000 0.483 214 L N 2.703 123.923 121.223 -0.004 0.000 1.994 214 L HA 0.080 4.420 4.340 0.000 0.000 0.208 214 L C 2.747 179.617 176.870 0.000 0.000 1.071 214 L CA 1.626 56.464 54.840 -0.004 0.000 0.745 214 L CB -0.915 41.148 42.059 0.006 0.000 0.892 214 L HN 0.803 nan 8.230 nan 0.000 0.431 215 R N -0.031 120.474 120.500 0.008 0.000 2.165 215 R HA -0.233 4.107 4.340 0.000 0.000 0.254 215 R C 1.894 178.199 176.300 0.008 0.000 1.153 215 R CA 2.001 58.111 56.100 0.016 0.000 0.971 215 R CB -1.029 29.277 30.300 0.010 0.000 0.878 215 R HN 0.518 nan 8.270 nan 0.000 0.449 216 D N -0.480 119.920 120.400 0.000 0.000 2.137 216 D HA 0.001 4.641 4.640 0.000 0.000 0.202 216 D C 1.823 178.113 176.300 -0.018 0.000 0.970 216 D CA 1.223 55.220 54.000 -0.004 0.000 0.837 216 D CB -0.271 40.528 40.800 -0.001 0.000 0.981 216 D HN 0.179 nan 8.370 nan 0.000 0.475 217 A N 1.293 124.098 122.820 -0.026 0.000 1.892 217 A HA -0.187 4.133 4.320 0.000 0.000 0.218 217 A C 2.409 179.949 177.584 -0.073 0.000 1.188 217 A CA 1.198 53.207 52.037 -0.048 0.000 0.631 217 A CB -0.954 18.015 19.000 -0.052 0.000 0.822 217 A HN 0.217 nan 8.150 nan 0.000 0.447 218 L N 0.322 121.501 121.223 -0.073 0.000 2.012 218 L HA -0.227 4.113 4.340 0.000 0.000 0.210 218 L C 2.979 179.808 176.870 -0.068 0.000 1.073 218 L CA 1.829 56.605 54.840 -0.106 0.000 0.748 218 L CB -0.717 41.317 42.059 -0.041 0.000 0.891 218 L HN 0.587 nan 8.230 nan 0.000 0.431 219 S N -0.284 115.402 115.700 -0.024 0.000 2.402 219 S HA -0.101 4.369 4.470 0.000 0.000 0.229 219 S C 1.951 176.538 174.600 -0.021 0.000 1.021 219 S CA 0.749 58.944 58.200 -0.008 0.000 0.974 219 S CB -0.538 62.666 63.200 0.007 0.000 0.800 219 S HN 0.312 nan 8.310 nan 0.000 0.484 220 L N 1.351 122.555 121.223 -0.032 0.000 2.093 220 L HA -0.073 4.267 4.340 0.000 0.000 0.208 220 L C 2.752 179.594 176.870 -0.046 0.000 1.085 220 L CA 1.463 56.283 54.840 -0.032 0.000 0.755 220 L CB -0.912 41.128 42.059 -0.032 0.000 0.904 220 L HN 0.366 nan 8.230 nan 0.000 0.435 221 T N -1.632 112.876 114.554 -0.075 0.000 2.904 221 T HA -0.157 4.193 4.350 0.000 0.000 0.267 221 T C 1.448 176.101 174.700 -0.079 0.000 1.059 221 T CA 1.010 63.051 62.100 -0.098 0.000 1.137 221 T CB -0.183 68.583 68.868 -0.170 0.000 0.879 221 T HN 0.289 nan 8.240 nan 0.000 0.467 222 D N 1.336 121.698 120.400 -0.065 0.000 2.144 222 D HA -0.073 4.567 4.640 0.000 0.000 0.199 222 D C 2.324 178.619 176.300 -0.008 0.000 0.984 222 D CA 1.024 55.009 54.000 -0.025 0.000 0.834 222 D CB -0.023 40.781 40.800 0.006 0.000 0.955 222 D HN 0.507 nan 8.370 nan 0.000 0.465 223 Q N 0.260 120.053 119.800 -0.012 0.000 2.083 223 Q HA -0.009 4.331 4.340 0.000 0.000 0.198 223 Q C 2.281 178.276 176.000 -0.008 0.000 0.969 223 Q CA 0.984 56.784 55.803 -0.005 0.000 0.838 223 Q CB -0.035 28.700 28.738 -0.006 0.000 0.900 223 Q HN 0.153 nan 8.270 nan 0.000 0.436 224 A N 1.204 124.013 122.820 -0.018 0.000 1.908 224 A HA -0.203 4.117 4.320 0.000 0.000 0.218 224 A C 2.050 179.627 177.584 -0.011 0.000 1.181 224 A CA 1.221 53.247 52.037 -0.018 0.000 0.627 224 A CB -0.689 18.294 19.000 -0.029 0.000 0.818 224 A HN 0.288 nan 8.150 nan 0.000 0.445 225 I N -0.321 120.241 120.570 -0.013 0.000 2.113 225 I HA -0.304 3.866 4.170 0.000 0.000 0.238 225 I C 2.978 179.099 176.117 0.007 0.000 1.070 225 I CA 1.225 62.524 61.300 -0.002 0.000 1.332 225 I CB -0.393 37.608 38.000 0.001 0.000 1.044 225 I HN 0.353 nan 8.210 nan 0.000 0.402 226 A N 0.395 123.221 122.820 0.009 0.000 2.032 226 A HA -0.232 4.088 4.320 0.000 0.000 0.221 226 A C 2.385 179.974 177.584 0.008 0.000 1.165 226 A CA 2.358 54.403 52.037 0.012 0.000 0.645 226 A CB -0.690 18.319 19.000 0.015 0.000 0.807 226 A HN 0.586 nan 8.150 nan 0.000 0.453 227 S N -1.891 113.812 115.700 0.004 0.000 2.470 227 S HA 0.228 4.699 4.470 0.000 0.000 0.222 227 S C 1.665 176.266 174.600 0.002 0.000 1.024 227 S CA 0.721 58.923 58.200 0.002 0.000 0.931 227 S CB -0.299 62.901 63.200 -0.001 0.000 0.791 227 S HN 0.608 nan 8.310 nan 0.000 0.513 228 G N 0.813 109.614 108.800 0.002 0.000 3.141 228 G HA2 0.164 4.124 3.960 0.000 0.000 0.218 228 G HA3 0.164 4.124 3.960 0.000 0.000 0.218 228 G C -0.041 174.862 174.900 0.006 0.000 1.170 228 G CA 0.021 45.123 45.100 0.003 0.000 0.769 228 G HN 0.414 nan 8.290 nan 0.000 0.546 229 D N -0.261 120.144 120.400 0.008 0.000 3.003 229 D HA -0.109 4.531 4.640 0.000 0.000 0.223 229 D C 1.509 177.818 176.300 0.014 0.000 1.204 229 D CA 1.693 55.700 54.000 0.011 0.000 0.828 229 D CB -1.195 39.611 40.800 0.009 0.000 0.918 229 D HN 0.853 nan 8.370 nan 0.000 0.401 230 G N 1.643 110.454 108.800 0.018 0.000 2.475 230 G HA2 -0.286 3.674 3.960 0.000 0.000 0.209 230 G HA3 -0.286 3.674 3.960 0.000 0.000 0.209 230 G C 0.306 175.222 174.900 0.026 0.000 1.127 230 G CA 0.376 45.491 45.100 0.025 0.000 0.681 230 G HN 0.611 nan 8.290 nan 0.000 0.517 231 Q N -0.216 119.596 119.800 0.020 0.000 2.193 231 Q HA 0.680 5.020 4.340 0.000 0.000 0.246 231 Q C -0.527 175.484 176.000 0.019 0.000 0.959 231 Q CA -0.647 55.170 55.803 0.022 0.000 0.904 231 Q CB 2.740 31.487 28.738 0.015 0.000 1.238 231 Q HN 0.252 nan 8.270 nan 0.000 0.469 232 V N 1.872 121.804 119.914 0.030 0.000 2.276 232 V HA 0.247 4.367 4.120 0.000 0.000 0.268 232 V C -0.542 175.571 176.094 0.031 0.000 1.032 232 V CA -0.468 61.846 62.300 0.023 0.000 0.810 232 V CB 0.571 32.406 31.823 0.020 0.000 1.060 232 V HN 0.795 nan 8.190 nan 0.000 0.446 233 S N 1.901 117.610 115.700 0.014 0.000 2.593 233 S HA 0.346 4.816 4.470 0.000 0.000 0.297 233 S C 1.121 175.723 174.600 0.003 0.000 1.112 233 S CA -0.149 58.055 58.200 0.008 0.000 1.043 233 S CB 1.790 64.990 63.200 0.001 0.000 1.054 233 S HN 0.484 nan 8.310 nan 0.000 0.516 234 T N 2.517 117.071 114.554 0.001 0.000 2.803 234 T HA -0.164 4.186 4.350 0.000 0.000 0.269 234 T C 1.749 176.445 174.700 -0.007 0.000 1.052 234 T CA 2.001 64.100 62.100 -0.003 0.000 1.136 234 T CB -0.388 68.478 68.868 -0.004 0.000 0.864 234 T HN 0.752 nan 8.240 nan 0.000 0.467 235 Q N 0.807 120.603 119.800 -0.007 0.000 2.046 235 Q HA 0.074 4.414 4.340 0.000 0.000 0.200 235 Q C 2.791 178.786 176.000 -0.009 0.000 0.975 235 Q CA 1.370 57.168 55.803 -0.009 0.000 0.836 235 Q CB -0.330 28.403 28.738 -0.008 0.000 0.896 235 Q HN 0.551 nan 8.270 nan 0.000 0.428 236 A N 0.505 123.321 122.820 -0.006 0.000 1.969 236 A HA -0.098 4.222 4.320 0.000 0.000 0.218 236 A C 2.291 179.870 177.584 -0.009 0.000 1.169 236 A CA 1.117 53.150 52.037 -0.006 0.000 0.635 236 A CB -0.462 18.536 19.000 -0.004 0.000 0.810 236 A HN 0.208 nan 8.150 nan 0.000 0.445 237 V N 0.731 120.640 119.914 -0.009 0.000 2.719 237 V HA -0.130 3.990 4.120 0.000 0.000 0.252 237 V C 2.559 178.646 176.094 -0.013 0.000 1.065 237 V CA 1.973 64.266 62.300 -0.012 0.000 1.086 237 V CB -0.396 31.420 31.823 -0.012 0.000 0.700 237 V HN 0.765 nan 8.190 nan 0.000 0.467 238 S N 0.174 115.866 115.700 -0.013 0.000 2.593 238 S HA 0.234 4.704 4.470 0.000 0.000 0.217 238 S C 1.737 176.327 174.600 -0.017 0.000 0.966 238 S CA 0.587 58.777 58.200 -0.016 0.000 0.914 238 S CB 0.251 63.441 63.200 -0.017 0.000 0.776 238 S HN 0.463 nan 8.310 nan 0.000 0.523 239 A N 2.145 124.956 122.820 -0.014 0.000 2.021 239 A HA 0.271 4.591 4.320 0.000 0.000 0.216 239 A C 2.127 179.703 177.584 -0.013 0.000 1.163 239 A CA 1.093 53.122 52.037 -0.014 0.000 0.676 239 A CB -0.463 18.531 19.000 -0.010 0.000 0.818 239 A HN 0.726 nan 8.150 nan 0.000 0.453 240 M N -1.909 117.683 119.600 -0.013 0.000 2.838 240 M HA 0.403 4.883 4.480 0.000 0.000 0.251 240 M C 0.461 176.754 176.300 -0.013 0.000 1.393 240 M CA 0.224 55.517 55.300 -0.012 0.000 1.196 240 M CB -0.199 32.395 32.600 -0.010 0.000 1.276 240 M HN 0.032 nan 8.290 nan 0.000 0.541 244 L N 0.397 121.602 121.223 -0.030 0.000 2.515 244 L HA 0.165 4.505 4.340 0.000 0.000 0.223 244 L C 1.564 178.421 176.870 -0.023 0.000 1.079 244 L CA 0.317 55.141 54.840 -0.026 0.000 0.857 244 L CB -0.018 42.030 42.059 -0.018 0.000 1.050 244 L HN 0.603 nan 8.230 nan 0.000 0.476 245 D N 0.699 121.086 120.400 -0.020 0.000 2.117 245 D HA -0.167 4.473 4.640 0.000 0.000 0.198 245 D C 1.345 177.634 176.300 -0.018 0.000 0.982 245 D CA 1.203 55.193 54.000 -0.016 0.000 0.828 245 D CB -0.058 40.734 40.800 -0.013 0.000 0.967 245 D HN 0.229 nan 8.370 nan 0.000 0.464 246 D N 1.087 121.471 120.400 -0.025 0.000 2.351 246 D HA -0.079 4.561 4.640 0.000 0.000 0.216 246 D C -0.142 176.138 176.300 -0.033 0.000 0.968 246 D CA 0.653 54.635 54.000 -0.029 0.000 0.899 246 D CB -0.242 40.534 40.800 -0.040 0.000 0.907 246 D HN 0.195 nan 8.370 nan 0.000 0.514 247 D N 1.468 121.848 120.400 -0.033 0.000 2.352 247 D HA 0.044 4.684 4.640 0.000 0.000 0.245 247 D C 1.241 177.533 176.300 -0.013 0.000 1.224 247 D CA -0.048 53.933 54.000 -0.032 0.000 0.879 247 D CB 0.927 41.706 40.800 -0.035 0.000 1.057 247 D HN -0.037 nan 8.370 nan 0.000 0.491 248 Q N 1.522 121.319 119.800 -0.005 0.000 2.466 248 Q HA 0.029 4.369 4.340 0.000 0.000 0.210 248 Q C 1.677 177.685 176.000 0.014 0.000 0.961 248 Q CA -0.065 55.743 55.803 0.009 0.000 0.953 248 Q CB 0.039 28.790 28.738 0.022 0.000 1.011 248 Q HN 0.539 nan 8.270 nan 0.000 0.516 249 A N 0.738 123.564 122.820 0.010 0.000 2.067 249 A HA -0.216 4.104 4.320 0.000 0.000 0.224 249 A C 1.928 179.524 177.584 0.021 0.000 1.172 249 A CA 1.680 53.728 52.037 0.018 0.000 0.662 249 A CB -0.245 18.762 19.000 0.012 0.000 0.814 249 A HN 0.382 nan 8.150 nan 0.000 0.468 250 L N -1.269 119.963 121.223 0.014 0.000 2.577 250 L HA 0.135 4.475 4.340 0.000 0.000 0.225 250 L C 2.257 179.131 176.870 0.008 0.000 1.053 250 L CA 1.595 56.443 54.840 0.013 0.000 0.866 250 L CB 0.067 42.133 42.059 0.012 0.000 1.132 250 L HN 0.292 nan 8.230 nan 0.000 0.486 251 S N -1.006 114.699 115.700 0.008 0.000 2.561 251 S HA -0.019 4.451 4.470 0.000 0.000 0.225 251 S C 1.746 176.351 174.600 0.009 0.000 0.977 251 S CA 0.638 58.842 58.200 0.007 0.000 0.926 251 S CB -0.334 62.870 63.200 0.007 0.000 0.769 251 S HN 0.427 nan 8.310 nan 0.000 0.533 252 L N 0.855 122.086 121.223 0.014 0.000 2.168 252 L HA 0.106 4.446 4.340 0.000 0.000 0.203 252 L C 2.212 179.082 176.870 0.000 0.000 1.078 252 L CA 0.574 55.425 54.840 0.020 0.000 0.780 252 L CB -0.084 41.998 42.059 0.038 0.000 0.939 252 L HN 0.185 nan 8.230 nan 0.000 0.451 253 V N -0.096 119.813 119.914 -0.008 0.000 2.358 253 V HA -0.234 3.886 4.120 0.000 0.000 0.246 253 V C 2.291 178.347 176.094 -0.064 0.000 1.047 253 V CA 1.651 63.925 62.300 -0.043 0.000 1.035 253 V CB -0.437 31.373 31.823 -0.022 0.000 0.658 253 V HN 0.441 nan 8.190 nan 0.000 0.452 254 E N 0.596 120.778 120.200 -0.031 0.000 2.023 254 E HA -0.243 4.107 4.350 0.000 0.000 0.196 254 E C 2.376 178.963 176.600 -0.022 0.000 1.003 254 E CA 1.459 57.844 56.400 -0.025 0.000 0.809 254 E CB -0.392 29.304 29.700 -0.007 0.000 0.755 254 E HN 0.563 nan 8.360 nan 0.000 0.449 255 A N 1.608 124.422 122.820 -0.010 0.000 1.986 255 A HA -0.243 4.077 4.320 0.000 0.000 0.220 255 A C 2.108 179.693 177.584 0.002 0.000 1.171 255 A CA 1.692 53.729 52.037 0.000 0.000 0.640 255 A CB -0.575 18.430 19.000 0.008 0.000 0.811 255 A HN 0.292 nan 8.150 nan 0.000 0.451 256 M N -0.099 119.485 119.600 -0.026 0.000 2.062 256 M HA -0.118 4.362 4.480 0.000 0.000 0.259 256 M C 1.853 178.131 176.300 -0.036 0.000 1.076 256 M CA 2.397 57.669 55.300 -0.046 0.000 1.122 256 M CB -0.356 32.166 32.600 -0.130 0.000 1.312 256 M HN 0.199 nan 8.290 nan 0.000 0.412 257 V N 0.975 120.773 119.914 -0.194 0.000 2.867 257 V HA -0.207 3.913 4.120 0.000 0.000 0.260 257 V C 1.717 177.912 176.094 0.168 0.000 1.099 257 V CA 1.724 63.929 62.300 -0.158 0.000 1.122 257 V CB -1.171 30.479 31.823 -0.289 0.000 0.708 257 V HN 0.548 nan 8.190 nan 0.000 0.490 258 E N 0.099 120.345 120.200 0.077 0.000 2.442 258 E HA 0.307 4.657 4.350 0.000 0.000 0.195 258 E C 1.570 178.167 176.600 -0.005 0.000 1.030 258 E CA 0.591 57.015 56.400 0.040 0.000 0.869 258 E CB 0.034 29.742 29.700 0.012 0.000 0.857 258 E HN 0.516 nan 8.360 nan 0.000 0.505 259 A N 1.530 124.361 122.820 0.017 0.000 3.172 259 A HA -0.178 4.142 4.320 0.000 0.000 0.263 259 A C 0.018 177.576 177.584 -0.044 0.000 1.215 259 A CA 0.675 52.664 52.037 -0.081 0.000 1.065 259 A CB -2.037 16.762 19.000 -0.334 0.000 1.148 259 A HN 0.281 nan 8.150 nan 0.000 0.904 260 N N 0.635 119.326 118.700 -0.016 0.000 3.229 260 N HA 0.362 5.102 4.740 0.000 0.000 0.275 260 N C 1.447 176.957 175.510 0.001 0.000 1.225 260 N CA 0.707 53.750 53.050 -0.011 0.000 1.119 260 N CB 0.382 38.864 38.487 -0.008 0.000 1.392 260 N HN 0.612 nan 8.380 nan 0.000 0.520 261 G N 1.404 110.206 108.800 0.003 0.000 2.550 261 G HA2 -0.388 3.572 3.960 0.000 0.000 0.222 261 G HA3 -0.388 3.572 3.960 0.000 0.000 0.222 261 G C 1.424 176.330 174.900 0.011 0.000 1.113 261 G CA 1.232 46.340 45.100 0.012 0.000 0.748 261 G HN 0.493 nan 8.290 nan 0.000 0.585 262 E N 0.722 120.925 120.200 0.005 0.000 2.048 262 E HA -0.230 4.120 4.350 0.000 0.000 0.202 262 E C 2.411 179.017 176.600 0.011 0.000 1.021 262 E CA 1.892 58.296 56.400 0.006 0.000 0.825 262 E CB -0.499 29.202 29.700 0.002 0.000 0.756 262 E HN 0.499 nan 8.360 nan 0.000 0.454 263 R N -0.328 120.178 120.500 0.011 0.000 2.066 263 R HA -0.081 4.259 4.340 0.000 0.000 0.232 263 R C 2.387 178.700 176.300 0.022 0.000 1.131 263 R CA 1.497 57.605 56.100 0.014 0.000 0.955 263 R CB -0.318 29.988 30.300 0.011 0.000 0.851 263 R HN 0.214 nan 8.270 nan 0.000 0.432 264 V N 1.161 121.089 119.914 0.023 0.000 2.380 264 V HA -0.327 3.793 4.120 0.000 0.000 0.251 264 V C 2.396 178.514 176.094 0.041 0.000 1.063 264 V CA 1.673 63.992 62.300 0.032 0.000 1.055 264 V CB -0.385 31.457 31.823 0.031 0.000 0.657 264 V HN 0.375 nan 8.190 nan 0.000 0.455 265 M N -0.392 119.227 119.600 0.033 0.000 2.248 265 M HA 0.080 4.560 4.480 0.000 0.000 0.265 265 M C 2.455 178.782 176.300 0.045 0.000 1.079 265 M CA 1.817 57.138 55.300 0.036 0.000 1.150 265 M CB -1.579 31.033 32.600 0.021 0.000 1.366 265 M HN 0.369 nan 8.290 nan 0.000 0.433 266 A N 0.934 123.775 122.820 0.035 0.000 1.940 266 A HA -0.140 4.180 4.320 0.000 0.000 0.219 266 A C 2.325 179.937 177.584 0.046 0.000 1.176 266 A CA 1.408 53.466 52.037 0.035 0.000 0.631 266 A CB -0.975 18.040 19.000 0.024 0.000 0.814 266 A HN 0.471 nan 8.150 nan 0.000 0.446 267 L N -0.685 120.567 121.223 0.048 0.000 1.994 267 L HA -0.178 4.162 4.340 0.000 0.000 0.208 267 L C 2.522 179.445 176.870 0.088 0.000 1.071 267 L CA 1.440 56.313 54.840 0.054 0.000 0.745 267 L CB -0.672 41.417 42.059 0.050 0.000 0.892 267 L HN 0.348 nan 8.230 nan 0.000 0.431 268 I N 0.319 120.962 120.570 0.122 0.000 2.264 268 I HA -0.308 3.862 4.170 0.000 0.000 0.248 268 I C 2.440 178.704 176.117 0.245 0.000 1.111 268 I CA 1.300 62.734 61.300 0.223 0.000 1.382 268 I CB -0.451 37.660 38.000 0.184 0.000 1.060 268 I HN 0.415 nan 8.210 nan 0.000 0.418 269 N N 1.126 119.912 118.700 0.143 0.000 2.171 269 N HA -0.221 4.519 4.740 0.000 0.000 0.184 269 N C 1.744 177.317 175.510 0.104 0.000 1.021 269 N CA 1.481 54.606 53.050 0.125 0.000 0.854 269 N CB -0.064 38.468 38.487 0.074 0.000 0.994 269 N HN 0.353 nan 8.380 nan 0.000 0.426 270 E N -0.133 120.112 120.200 0.074 0.000 2.038 270 E HA -0.151 4.199 4.350 0.000 0.000 0.195 270 E C 1.798 178.413 176.600 0.025 0.000 1.000 270 E CA 1.331 57.756 56.400 0.041 0.000 0.803 270 E CB -0.227 29.491 29.700 0.029 0.000 0.750 270 E HN 0.428 nan 8.360 nan 0.000 0.448 271 A N 1.130 123.967 122.820 0.029 0.000 1.908 271 A HA -0.184 4.136 4.320 0.000 0.000 0.218 271 A C 2.395 179.914 177.584 -0.109 0.000 1.181 271 A CA 2.057 54.059 52.037 -0.059 0.000 0.627 271 A CB -0.897 18.061 19.000 -0.070 0.000 0.818 271 A HN 0.430 nan 8.150 nan 0.000 0.445 272 A N -0.133 122.724 122.820 0.060 0.000 1.908 272 A HA 0.122 4.442 4.320 0.000 0.000 0.218 272 A C 2.476 180.095 177.584 0.058 0.000 1.181 272 A CA 2.146 54.276 52.037 0.155 0.000 0.627 272 A CB -1.061 18.172 19.000 0.388 0.000 0.818 272 A HN 1.200 nan 8.150 nan 0.000 0.445 273 A N -0.564 122.283 122.820 0.046 0.000 2.076 273 A HA -0.134 4.186 4.320 0.000 0.000 0.220 273 A C 2.087 179.665 177.584 -0.010 0.000 1.160 273 A CA 1.603 53.654 52.037 0.024 0.000 0.653 273 A CB -0.355 18.659 19.000 0.023 0.000 0.801 273 A HN 0.549 nan 8.150 nan 0.000 0.455 274 R N -1.487 118.987 120.500 -0.043 0.000 2.317 274 R HA 0.283 4.623 4.340 0.000 0.000 0.208 274 R C 1.014 177.257 176.300 -0.095 0.000 0.914 274 R CA 0.565 56.625 56.100 -0.066 0.000 1.060 274 R CB 0.095 30.349 30.300 -0.077 0.000 1.015 274 R HN 0.609 nan 8.270 nan 0.000 0.498 275 G N 1.833 110.566 108.800 -0.112 0.000 2.289 275 G HA2 -0.254 3.706 3.960 0.000 0.000 0.280 275 G HA3 -0.254 3.706 3.960 0.000 0.000 0.280 275 G C 0.093 174.855 174.900 -0.230 0.000 1.089 275 G CA -0.269 44.753 45.100 -0.129 0.000 0.939 275 G HN 0.202 nan 8.290 nan 0.000 0.499 276 I N -0.462 119.851 120.570 -0.428 0.000 2.938 276 I HA 0.141 4.311 4.170 0.000 0.000 0.285 276 I C 0.930 176.717 176.117 -0.550 0.000 1.182 276 I CA 0.137 61.116 61.300 -0.536 0.000 1.388 276 I CB 0.556 38.082 38.000 -0.790 0.000 1.390 276 I HN 0.214 nan 8.210 nan 0.000 0.600 277 E N 3.802 123.797 120.200 -0.342 0.000 1.998 277 E HA 0.044 4.394 4.350 0.000 0.000 0.257 277 E C -0.011 176.515 176.600 -0.124 0.000 1.038 277 E CA -0.161 56.133 56.400 -0.177 0.000 0.869 277 E CB 0.357 30.006 29.700 -0.084 0.000 1.135 277 E HN 0.521 nan 8.360 nan 0.000 0.430 278 W N 1.815 123.110 121.300 -0.007 0.000 2.255 278 W HA -0.321 4.339 4.660 -0.000 0.000 0.318 278 W C 2.155 178.669 176.519 -0.009 0.000 1.277 278 W CA 1.510 58.850 57.345 -0.007 0.000 1.286 278 W CB -0.067 29.388 29.460 -0.007 0.000 1.132 278 W HN 0.567 nan 8.180 nan 0.000 0.504 279 E N 0.052 120.366 120.200 0.190 0.000 2.152 279 E HA -0.141 4.209 4.350 0.000 0.000 0.192 279 E C 2.260 178.897 176.600 0.063 0.000 0.983 279 E CA 1.130 57.594 56.400 0.106 0.000 0.818 279 E CB -0.262 29.475 29.700 0.063 0.000 0.758 279 E HN 0.191 nan 8.360 nan 0.000 0.467 280 A N 1.087 123.928 122.820 0.034 0.000 1.902 280 A HA -0.158 4.162 4.320 0.000 0.000 0.217 280 A C 2.125 179.718 177.584 0.016 0.000 1.181 280 A CA 1.243 53.285 52.037 0.009 0.000 0.623 280 A CB -0.666 18.322 19.000 -0.021 0.000 0.818 280 A HN 0.402 nan 8.150 nan 0.000 0.443 281 L N -0.388 120.846 121.223 0.019 0.000 2.079 281 L HA -0.086 4.254 4.340 0.000 0.000 0.210 281 L C 2.107 179.016 176.870 0.065 0.000 1.081 281 L CA 1.642 56.502 54.840 0.034 0.000 0.752 281 L CB -0.483 41.605 42.059 0.049 0.000 0.896 281 L HN 0.392 nan 8.230 nan 0.000 0.433 282 L N -1.922 119.349 121.223 0.081 0.000 2.291 282 L HA -0.110 4.230 4.340 0.000 0.000 0.214 282 L C 2.197 179.089 176.870 0.037 0.000 1.120 282 L CA 0.251 55.128 54.840 0.062 0.000 0.799 282 L CB -0.132 41.963 42.059 0.060 0.000 0.925 282 L HN 0.130 nan 8.230 nan 0.000 0.446 283 V N -0.612 119.324 119.914 0.036 0.000 2.407 283 V HA -0.190 3.930 4.120 0.000 0.000 0.245 283 V C 2.243 178.364 176.094 0.045 0.000 1.041 283 V CA 1.383 63.703 62.300 0.033 0.000 1.040 283 V CB -0.233 31.606 31.823 0.025 0.000 0.671 283 V HN 0.406 nan 8.190 nan 0.000 0.455 284 E N -0.224 119.999 120.200 0.039 0.000 2.118 284 E HA -0.230 4.120 4.350 0.000 0.000 0.195 284 E C 2.228 178.863 176.600 0.058 0.000 0.992 284 E CA 1.480 57.905 56.400 0.042 0.000 0.804 284 E CB -0.163 29.552 29.700 0.026 0.000 0.741 284 E HN 0.539 nan 8.360 nan 0.000 0.458 285 M N 0.144 119.779 119.600 0.059 0.000 2.156 285 M HA -0.103 4.377 4.480 0.000 0.000 0.264 285 M C 2.297 178.659 176.300 0.104 0.000 1.067 285 M CA 1.088 56.429 55.300 0.069 0.000 1.131 285 M CB -0.123 32.512 32.600 0.058 0.000 1.368 285 M HN 0.127 nan 8.290 nan 0.000 0.416 286 L N -0.542 120.737 121.223 0.095 0.000 2.217 286 L HA -0.049 4.291 4.340 0.000 0.000 0.211 286 L C 2.438 179.465 176.870 0.263 0.000 1.107 286 L CA 0.869 55.798 54.840 0.148 0.000 0.783 286 L CB -0.732 41.337 42.059 0.017 0.000 0.919 286 L HN 0.384 nan 8.230 nan 0.000 0.442 287 G N -0.843 108.059 108.800 0.169 0.000 2.683 287 G HA2 -0.008 3.952 3.960 0.000 0.000 0.213 287 G HA3 -0.008 3.952 3.960 0.000 0.000 0.213 287 G C 1.541 176.538 174.900 0.162 0.000 1.142 287 G CA -0.027 45.174 45.100 0.168 0.000 0.793 287 G HN 0.167 nan 8.290 nan 0.000 0.534 288 L N -0.435 120.870 121.223 0.138 0.000 2.130 288 L HA 0.239 4.579 4.340 0.000 0.000 0.200 288 L C 2.685 179.625 176.870 0.116 0.000 1.075 288 L CA 0.228 55.129 54.840 0.101 0.000 0.768 288 L CB -0.384 41.719 42.059 0.072 0.000 0.933 288 L HN 0.094 nan 8.230 nan 0.000 0.451 289 L N -0.318 121.004 121.223 0.165 0.000 2.129 289 L HA -0.296 4.044 4.340 0.000 0.000 0.212 289 L C 2.660 179.614 176.870 0.142 0.000 1.087 289 L CA 1.218 56.168 54.840 0.182 0.000 0.757 289 L CB -0.422 41.812 42.059 0.292 0.000 0.896 289 L HN 0.376 nan 8.230 nan 0.000 0.434 290 H N -0.294 118.812 119.070 0.060 0.000 2.389 290 H HA -0.163 4.393 4.556 0.000 0.000 0.299 290 H C 2.363 177.660 175.328 -0.053 0.000 1.081 290 H CA 1.679 57.674 56.048 -0.089 0.000 1.345 290 H CB 0.120 29.848 29.762 -0.058 0.000 1.393 290 H HN 0.075 nan 8.280 nan 0.000 0.520 291 R N -0.265 120.186 120.500 -0.081 0.000 2.115 291 R HA 0.014 4.354 4.340 0.000 0.000 0.226 291 R C 2.073 178.312 176.300 -0.103 0.000 1.100 291 R CA 1.274 57.301 56.100 -0.122 0.000 0.980 291 R CB -0.089 30.199 30.300 -0.020 0.000 0.875 291 R HN 0.385 nan 8.270 nan 0.000 0.445 292 I N 0.299 120.839 120.570 -0.050 0.000 2.546 292 I HA -0.147 4.023 4.170 0.000 0.000 0.255 292 I C 2.263 178.346 176.117 -0.056 0.000 1.163 292 I CA 0.889 62.171 61.300 -0.030 0.000 1.457 292 I CB -0.160 37.847 38.000 0.011 0.000 1.092 292 I HN 0.223 nan 8.210 nan 0.000 0.434 293 A N 0.574 123.332 122.820 -0.103 0.000 1.968 293 A HA -0.111 4.209 4.320 0.000 0.000 0.217 293 A C 2.336 179.829 177.584 -0.151 0.000 1.169 293 A CA 1.206 53.168 52.037 -0.126 0.000 0.638 293 A CB -0.370 18.521 19.000 -0.181 0.000 0.812 293 A HN 0.330 nan 8.150 nan 0.000 0.446 294 M N -0.761 118.718 119.600 -0.202 0.000 2.288 294 M HA -0.040 4.440 4.480 0.000 0.000 0.266 294 M C 1.707 177.949 176.300 -0.096 0.000 1.072 294 M CA 0.857 56.055 55.300 -0.170 0.000 1.132 294 M CB -0.116 32.356 32.600 -0.213 0.000 1.386 294 M HN 0.191 nan 8.290 nan 0.000 0.432 295 V N 0.507 120.376 119.914 -0.075 0.000 3.141 295 V HA -0.184 3.936 4.120 0.000 0.000 0.265 295 V C 1.856 177.928 176.094 -0.035 0.000 1.126 295 V CA 1.306 63.578 62.300 -0.045 0.000 1.141 295 V CB -0.880 30.924 31.823 -0.032 0.000 0.743 295 V HN 0.542 nan 8.190 nan 0.000 0.492 296 Q N -0.899 118.877 119.800 -0.041 0.000 2.424 296 Q HA 0.072 4.412 4.340 0.000 0.000 0.204 296 Q C 1.834 177.817 176.000 -0.029 0.000 0.933 296 Q CA 0.538 56.324 55.803 -0.029 0.000 0.929 296 Q CB 0.243 28.966 28.738 -0.025 0.000 1.037 296 Q HN 0.511 nan 8.270 nan 0.000 0.511 297 L N -0.538 120.662 121.223 -0.038 0.000 2.575 297 L HA 0.193 4.533 4.340 0.000 0.000 0.228 297 L C -0.144 176.709 176.870 -0.029 0.000 1.075 297 L CA 0.584 55.404 54.840 -0.033 0.000 0.867 297 L CB 1.100 43.134 42.059 -0.041 0.000 1.097 297 L HN -0.009 nan 8.230 nan 0.000 0.485 298 S N -1.471 114.210 115.700 -0.032 0.000 2.652 298 S HA 0.456 4.926 4.470 0.000 0.000 0.273 298 S C -2.374 172.211 174.600 -0.025 0.000 1.172 298 S CA -0.691 57.494 58.200 -0.026 0.000 1.009 298 S CB 1.309 64.493 63.200 -0.026 0.000 1.094 298 S HN 0.020 nan 8.310 nan 0.000 0.471 299 P HA 0.079 nan 4.420 nan 0.000 0.234 299 P C 1.020 178.311 177.300 -0.015 0.000 1.167 299 P CA 0.647 63.738 63.100 -0.016 0.000 0.763 299 P CB -0.132 31.561 31.700 -0.011 0.000 0.835 300 A N 0.120 122.930 122.820 -0.016 0.000 2.265 300 A HA 0.353 4.673 4.320 0.000 0.000 0.213 300 A C 1.890 179.464 177.584 -0.016 0.000 1.255 300 A CA 0.529 52.558 52.037 -0.013 0.000 0.862 300 A CB -0.904 18.089 19.000 -0.012 0.000 0.852 300 A HN 0.204 nan 8.150 nan 0.000 0.484 301 A N -0.461 122.346 122.820 -0.021 0.000 2.302 301 A HA 0.459 4.779 4.320 0.000 0.000 0.219 301 A C 0.484 178.058 177.584 -0.018 0.000 1.243 301 A CA 0.010 52.032 52.037 -0.026 0.000 0.856 301 A CB -0.254 18.721 19.000 -0.043 0.000 0.893 301 A HN 0.408 nan 8.150 nan 0.000 0.491 302 L N 1.101 122.317 121.223 -0.011 0.000 2.277 302 L HA 0.383 4.723 4.340 0.000 0.000 0.284 302 L C 1.173 178.042 176.870 -0.003 0.000 1.028 302 L CA -0.790 54.047 54.840 -0.006 0.000 0.835 302 L CB 0.967 43.023 42.059 -0.005 0.000 1.215 302 L HN 0.395 nan 8.230 nan 0.000 0.425 303 G N 2.200 111.000 108.800 -0.000 0.000 2.846 303 G HA2 -0.213 3.747 3.960 0.000 0.000 0.257 303 G HA3 -0.213 3.747 3.960 0.000 0.000 0.257 303 G C 1.003 175.906 174.900 0.004 0.000 1.253 303 G CA 0.081 45.183 45.100 0.003 0.000 0.918 303 G HN 0.877 nan 8.290 nan 0.000 0.597 304 N N -1.213 117.491 118.700 0.006 0.000 2.459 304 N HA -0.060 4.680 4.740 0.000 0.000 0.181 304 N C 0.742 176.256 175.510 0.007 0.000 1.046 304 N CA 1.547 54.601 53.050 0.006 0.000 0.904 304 N CB 0.404 38.895 38.487 0.007 0.000 0.964 304 N HN 0.451 nan 8.380 nan 0.000 0.444 305 D N -1.093 119.312 120.400 0.007 0.000 2.712 305 D HA 0.136 4.776 4.640 0.000 0.000 0.300 305 D C 0.531 176.835 176.300 0.007 0.000 1.521 305 D CA -0.112 53.892 54.000 0.007 0.000 0.790 305 D CB 0.334 41.138 40.800 0.008 0.000 1.155 305 D HN 0.010 nan 8.370 nan 0.000 0.456 306 M N 0.163 119.767 119.600 0.006 0.000 2.595 306 M HA 0.135 4.615 4.480 0.000 0.000 0.248 306 M C 2.126 178.429 176.300 0.005 0.000 1.119 306 M CA 0.211 55.515 55.300 0.006 0.000 1.079 306 M CB -0.816 31.787 32.600 0.005 0.000 1.472 306 M HN 0.067 nan 8.290 nan 0.000 0.501 307 A N 1.134 123.957 122.820 0.005 0.000 1.896 307 A HA -0.202 4.118 4.320 0.000 0.000 0.220 307 A C 2.471 180.058 177.584 0.005 0.000 1.206 307 A CA 2.723 54.763 52.037 0.005 0.000 0.647 307 A CB -1.048 17.956 19.000 0.006 0.000 0.828 307 A HN 0.468 nan 8.150 nan 0.000 0.455 308 A N -0.215 122.608 122.820 0.005 0.000 1.883 308 A HA -0.112 4.208 4.320 0.000 0.000 0.217 308 A C 2.162 179.749 177.584 0.004 0.000 1.186 308 A CA 1.699 53.739 52.037 0.004 0.000 0.624 308 A CB -0.727 18.275 19.000 0.004 0.000 0.822 308 A HN 0.575 nan 8.150 nan 0.000 0.444 309 I N -1.033 119.540 120.570 0.005 0.000 2.142 309 I HA -0.282 3.888 4.170 0.000 0.000 0.240 309 I C 2.117 178.237 176.117 0.005 0.000 1.078 309 I CA 1.574 62.877 61.300 0.005 0.000 1.343 309 I CB -0.957 37.047 38.000 0.007 0.000 1.046 309 I HN 0.439 nan 8.210 nan 0.000 0.405 310 E N 0.505 120.708 120.200 0.004 0.000 2.755 310 E HA -0.392 3.958 4.350 0.000 0.000 0.241 310 E C 1.972 178.574 176.600 0.003 0.000 0.977 310 E CA 2.658 59.060 56.400 0.003 0.000 1.398 310 E CB -0.787 28.915 29.700 0.003 0.000 1.343 310 E HN 0.386 nan 8.360 nan 0.000 0.482 311 L N 0.950 122.175 121.223 0.004 0.000 2.042 311 L HA -0.191 4.149 4.340 0.000 0.000 0.210 311 L C 2.331 179.204 176.870 0.005 0.000 1.076 311 L CA 1.916 56.759 54.840 0.004 0.000 0.749 311 L CB -0.187 41.874 42.059 0.004 0.000 0.893 311 L HN 0.066 nan 8.230 nan 0.000 0.432 312 R N -1.516 118.987 120.500 0.005 0.000 2.081 312 R HA -0.107 4.233 4.340 0.000 0.000 0.235 312 R C 2.178 178.483 176.300 0.007 0.000 1.131 312 R CA 1.682 57.785 56.100 0.006 0.000 0.960 312 R CB -0.382 29.922 30.300 0.006 0.000 0.856 312 R HN 0.354 nan 8.270 nan 0.000 0.436 313 M N 0.153 119.756 119.600 0.006 0.000 2.098 313 M HA -0.063 4.417 4.480 0.000 0.000 0.262 313 M C 2.037 178.340 176.300 0.006 0.000 1.072 313 M CA 1.407 56.711 55.300 0.007 0.000 1.133 313 M CB -0.596 32.007 32.600 0.005 0.000 1.344 313 M HN 0.006 nan 8.290 nan 0.000 0.414 314 R N 0.426 120.928 120.500 0.004 0.000 2.170 314 R HA -0.171 4.169 4.340 0.000 0.000 0.242 314 R C 1.938 178.242 176.300 0.006 0.000 1.145 314 R CA 1.215 57.316 56.100 0.003 0.000 0.984 314 R CB -0.644 29.658 30.300 0.002 0.000 0.869 314 R HN 0.415 nan 8.270 nan 0.000 0.455 315 E N 0.632 120.837 120.200 0.008 0.000 2.076 315 E HA -0.016 4.334 4.350 0.000 0.000 0.190 315 E C 2.046 178.655 176.600 0.015 0.000 0.979 315 E CA 0.735 57.142 56.400 0.011 0.000 0.807 315 E CB -0.125 29.581 29.700 0.010 0.000 0.761 315 E HN 0.195 nan 8.360 nan 0.000 0.454 316 L N -0.041 121.191 121.223 0.015 0.000 2.046 316 L HA -0.111 4.230 4.340 0.000 0.000 0.208 316 L C 2.477 179.361 176.870 0.024 0.000 1.077 316 L CA 1.112 55.965 54.840 0.021 0.000 0.747 316 L CB -0.751 41.320 42.059 0.019 0.000 0.896 316 L HN 0.192 nan 8.230 nan 0.000 0.432 317 A N 1.017 123.845 122.820 0.014 0.000 2.032 317 A HA -0.233 4.087 4.320 0.000 0.000 0.221 317 A C 2.335 179.926 177.584 0.011 0.000 1.165 317 A CA 2.145 54.187 52.037 0.009 0.000 0.645 317 A CB -0.499 18.500 19.000 -0.001 0.000 0.807 317 A HN 0.635 nan 8.150 nan 0.000 0.453 318 R N -1.713 118.795 120.500 0.014 0.000 2.191 318 R HA 0.031 4.371 4.340 0.000 0.000 0.196 318 R C 1.646 177.959 176.300 0.022 0.000 0.991 318 R CA 1.205 57.314 56.100 0.015 0.000 1.075 318 R CB -0.879 29.427 30.300 0.011 0.000 1.040 318 R HN 0.350 nan 8.270 nan 0.000 0.526 319 T N -0.853 113.717 114.554 0.027 0.000 3.129 319 T HA 0.345 4.695 4.350 0.000 0.000 0.251 319 T C 0.673 175.404 174.700 0.052 0.000 1.117 319 T CA -0.106 62.015 62.100 0.036 0.000 1.034 319 T CB -0.169 68.719 68.868 0.033 0.000 0.968 319 T HN 0.121 nan 8.240 nan 0.000 0.526 320 I N 1.987 122.591 120.570 0.057 0.000 2.410 320 I HA 0.394 4.564 4.170 0.000 0.000 0.286 320 I C -2.719 173.441 176.117 0.071 0.000 1.009 320 I CA -2.992 58.359 61.300 0.085 0.000 1.111 320 I CB 2.219 40.282 38.000 0.106 0.000 1.262 320 I HN -0.155 nan 8.210 nan 0.000 0.443 321 P HA 0.032 nan 4.420 nan 0.000 0.266 321 P C -1.849 175.469 177.300 0.031 0.000 1.195 321 P CA -0.850 62.274 63.100 0.040 0.000 0.768 321 P CB 0.156 31.876 31.700 0.034 0.000 0.838 322 P HA -0.161 nan 4.420 nan 0.000 0.220 322 P C 1.015 178.309 177.300 -0.011 0.000 1.148 322 P CA 1.654 64.755 63.100 0.002 0.000 0.803 322 P CB -0.210 31.485 31.700 -0.008 0.000 0.782 323 T N 0.398 114.940 114.554 -0.020 0.000 2.737 323 T HA -0.109 4.241 4.350 0.000 0.000 0.265 323 T C 1.324 175.970 174.700 -0.089 0.000 1.038 323 T CA 1.855 63.930 62.100 -0.042 0.000 1.144 323 T CB -0.845 68.001 68.868 -0.037 0.000 0.866 323 T HN 0.139 nan 8.240 nan 0.000 0.434 324 D N 0.882 121.221 120.400 -0.101 0.000 2.144 324 D HA 0.022 4.662 4.640 0.000 0.000 0.199 324 D C 2.010 178.156 176.300 -0.257 0.000 0.984 324 D CA 0.556 54.404 54.000 -0.253 0.000 0.834 324 D CB -0.383 40.362 40.800 -0.091 0.000 0.955 324 D HN 0.337 nan 8.370 nan 0.000 0.465 325 I N 0.683 121.262 120.570 0.015 0.000 2.226 325 I HA -0.262 3.908 4.170 0.000 0.000 0.245 325 I C 2.272 178.447 176.117 0.096 0.000 1.100 325 I CA 0.942 62.329 61.300 0.144 0.000 1.374 325 I CB -0.032 38.029 38.000 0.101 0.000 1.057 325 I HN -0.029 nan 8.210 nan 0.000 0.413 326 Q N 0.100 119.912 119.800 0.019 0.000 2.084 326 Q HA -0.227 4.113 4.340 0.000 0.000 0.202 326 Q C 2.226 178.247 176.000 0.035 0.000 0.978 326 Q CA 1.476 57.309 55.803 0.049 0.000 0.844 326 Q CB -0.803 27.939 28.738 0.006 0.000 0.898 326 Q HN 0.413 nan 8.270 nan 0.000 0.426 327 L N -0.034 121.113 121.223 -0.128 0.000 2.012 327 L HA -0.222 4.118 4.340 0.000 0.000 0.210 327 L C 2.057 178.824 176.870 -0.172 0.000 1.073 327 L CA 1.768 56.475 54.840 -0.222 0.000 0.748 327 L CB -0.631 41.179 42.059 -0.416 0.000 0.891 327 L HN 0.118 nan 8.230 nan 0.000 0.431 328 Y N -2.173 118.147 120.300 0.034 0.000 2.314 328 Y HA -0.208 4.342 4.550 0.000 0.000 0.293 328 Y C 2.407 178.348 175.900 0.068 0.000 1.129 328 Y CA 1.363 59.480 58.100 0.027 0.000 1.201 328 Y CB -1.233 37.234 38.460 0.012 0.000 0.999 328 Y HN 0.302 nan 8.280 nan 0.000 0.541 329 Y N 1.160 121.537 120.300 0.128 0.000 2.181 329 Y HA -0.273 4.277 4.550 -0.000 0.000 0.288 329 Y C 2.116 178.046 175.900 0.051 0.000 1.146 329 Y CA 1.732 59.886 58.100 0.090 0.000 1.164 329 Y CB -0.355 38.153 38.460 0.080 0.000 0.982 329 Y HN 0.161 nan 8.280 nan 0.000 0.515 330 Q N -0.868 118.962 119.800 0.050 0.000 2.046 330 Q HA -0.146 4.194 4.340 0.000 0.000 0.200 330 Q C 2.214 178.160 176.000 -0.090 0.000 0.975 330 Q CA 2.269 58.040 55.803 -0.053 0.000 0.836 330 Q CB -0.400 28.340 28.738 0.004 0.000 0.896 330 Q HN 0.355 nan 8.270 nan 0.000 0.428 331 T N 1.233 115.767 114.554 -0.034 0.000 2.759 331 T HA -0.107 4.243 4.350 0.000 0.000 0.269 331 T C 1.550 176.237 174.700 -0.022 0.000 1.042 331 T CA 0.850 62.942 62.100 -0.014 0.000 1.140 331 T CB -0.038 68.864 68.868 0.057 0.000 0.864 331 T HN 0.099 nan 8.240 nan 0.000 0.455 332 L N 0.650 121.851 121.223 -0.037 0.000 2.240 332 L HA 0.113 4.453 4.340 0.000 0.000 0.211 332 L C 2.294 179.089 176.870 -0.125 0.000 1.106 332 L CA 0.852 55.660 54.840 -0.053 0.000 0.793 332 L CB -1.266 40.773 42.059 -0.033 0.000 0.927 332 L HN 0.284 nan 8.230 nan 0.000 0.446 333 L N 0.309 121.392 121.223 -0.233 0.000 2.005 333 L HA -0.185 4.155 4.340 0.000 0.000 0.207 333 L C 2.491 179.285 176.870 -0.128 0.000 1.072 333 L CA 1.821 56.502 54.840 -0.265 0.000 0.744 333 L CB -0.616 41.210 42.059 -0.388 0.000 0.895 333 L HN 0.138 nan 8.230 nan 0.000 0.433 334 I N -0.076 120.435 120.570 -0.098 0.000 2.163 334 I HA -0.241 3.929 4.170 0.000 0.000 0.243 334 I C 2.484 178.584 176.117 -0.027 0.000 1.085 334 I CA 1.359 62.627 61.300 -0.054 0.000 1.347 334 I CB -0.954 37.014 38.000 -0.055 0.000 1.044 334 I HN 0.360 nan 8.210 nan 0.000 0.408 335 G N 0.366 109.151 108.800 -0.025 0.000 2.498 335 G HA2 -0.250 3.710 3.960 0.000 0.000 0.219 335 G HA3 -0.250 3.710 3.960 0.000 0.000 0.219 335 G C 1.793 176.695 174.900 0.002 0.000 1.119 335 G CA 0.366 45.464 45.100 -0.004 0.000 0.766 335 G HN 0.321 nan 8.290 nan 0.000 0.552 336 R N 0.431 120.924 120.500 -0.012 0.000 2.075 336 R HA 0.059 4.399 4.340 0.000 0.000 0.226 336 R C 2.329 178.637 176.300 0.012 0.000 1.114 336 R CA 1.052 57.150 56.100 -0.003 0.000 0.972 336 R CB -0.192 30.093 30.300 -0.025 0.000 0.869 336 R HN 0.252 nan 8.270 nan 0.000 0.437 337 K N 0.400 120.811 120.400 0.017 0.000 2.097 337 K HA -0.118 4.202 4.320 0.000 0.000 0.205 337 K C 1.890 178.566 176.600 0.126 0.000 1.050 337 K CA 1.617 57.938 56.287 0.057 0.000 0.938 337 K CB 0.001 32.527 32.500 0.044 0.000 0.718 337 K HN 0.330 nan 8.250 nan 0.000 0.442 338 E N 0.923 121.184 120.200 0.101 0.000 2.274 338 E HA -0.153 4.197 4.350 0.000 0.000 0.194 338 E C 1.873 178.558 176.600 0.142 0.000 0.996 338 E CA 0.248 56.736 56.400 0.147 0.000 0.840 338 E CB -0.068 29.673 29.700 0.068 0.000 0.772 338 E HN 0.094 nan 8.360 nan 0.000 0.491 339 L N 2.298 123.556 121.223 0.059 0.000 1.976 339 L HA -0.206 4.134 4.340 0.000 0.000 0.223 339 L C -0.760 176.092 176.870 -0.031 0.000 1.081 339 L CA 2.356 57.203 54.840 0.011 0.000 0.784 339 L CB -1.057 41.006 42.059 0.006 0.000 0.896 339 L HN 0.111 nan 8.230 nan 0.000 0.438 340 P HA -0.195 nan 4.420 nan 0.000 0.228 340 P C 0.912 178.043 177.300 -0.280 0.000 1.151 340 P CA 1.635 64.589 63.100 -0.244 0.000 0.770 340 P CB -0.211 31.252 31.700 -0.395 0.000 0.786 341 Y N -0.207 120.088 120.300 -0.010 0.000 2.478 341 Y HA 0.354 4.904 4.550 0.000 0.000 0.261 341 Y C 1.851 177.740 175.900 -0.017 0.000 1.127 341 Y CA -0.457 57.637 58.100 -0.011 0.000 1.288 341 Y CB -0.292 38.161 38.460 -0.011 0.000 1.084 341 Y HN -0.084 nan 8.280 nan 0.000 0.530 342 A N 2.064 124.944 122.820 0.100 0.000 2.429 342 A HA 0.057 4.377 4.320 0.000 0.000 0.242 342 A C -0.982 176.613 177.584 0.017 0.000 1.088 342 A CA -0.818 51.242 52.037 0.038 0.000 0.784 342 A CB -0.334 18.660 19.000 -0.010 0.000 1.038 342 A HN 0.161 nan 8.150 nan 0.000 0.501 343 P HA -0.010 nan 4.420 nan 0.000 0.223 343 P C -0.243 177.044 177.300 -0.021 0.000 1.151 343 P CA 1.635 64.732 63.100 -0.005 0.000 0.787 343 P CB -0.029 31.665 31.700 -0.010 0.000 0.788 344 D N -1.815 118.557 120.400 -0.046 0.000 2.871 344 D HA 0.133 4.773 4.640 0.000 0.000 0.209 344 D C 1.078 177.300 176.300 -0.130 0.000 1.292 344 D CA -0.660 53.298 54.000 -0.071 0.000 0.869 344 D CB 1.116 41.871 40.800 -0.075 0.000 1.663 344 D HN -0.383 nan 8.370 nan 0.000 0.557 345 R N 2.024 122.449 120.500 -0.125 0.000 2.133 345 R HA -0.181 4.159 4.340 0.000 0.000 0.247 345 R C 1.993 177.978 176.300 -0.526 0.000 1.151 345 R CA 1.478 57.467 56.100 -0.185 0.000 0.971 345 R CB -0.157 30.134 30.300 -0.015 0.000 0.866 345 R HN 0.510 nan 8.270 nan 0.000 0.447 346 R N 0.828 120.865 120.500 -0.771 0.000 2.081 346 R HA -0.104 4.236 4.340 0.000 0.000 0.235 346 R C 2.327 178.204 176.300 -0.706 0.000 1.131 346 R CA 1.541 56.858 56.100 -1.304 0.000 0.960 346 R CB -0.252 29.539 30.300 -0.850 0.000 0.856 346 R HN 0.155 nan 8.270 nan 0.000 0.436 347 M N 0.215 119.581 119.600 -0.390 0.000 2.144 347 M HA -0.132 4.348 4.480 0.000 0.000 0.260 347 M C 1.906 178.091 176.300 -0.192 0.000 1.067 347 M CA 2.203 57.365 55.300 -0.231 0.000 1.095 347 M CB -0.332 32.182 32.600 -0.142 0.000 1.365 347 M HN 0.387 nan 8.290 nan 0.000 0.406 348 G N -0.581 108.101 108.800 -0.197 0.000 2.433 348 G HA2 -0.189 3.771 3.960 0.000 0.000 0.216 348 G HA3 -0.189 3.771 3.960 0.000 0.000 0.216 348 G C 1.291 176.120 174.900 -0.117 0.000 1.186 348 G CA 1.104 46.133 45.100 -0.118 0.000 0.779 348 G HN 0.396 nan 8.290 nan 0.000 0.543 349 V N 1.142 120.944 119.914 -0.187 0.000 2.252 349 V HA -0.252 3.868 4.120 0.000 0.000 0.249 349 V C 2.715 178.748 176.094 -0.102 0.000 1.056 349 V CA 2.408 64.635 62.300 -0.121 0.000 1.022 349 V CB -0.759 30.964 31.823 -0.168 0.000 0.641 349 V HN 0.483 nan 8.190 nan 0.000 0.445 350 E N -0.647 119.446 120.200 -0.177 0.000 2.097 350 E HA -0.264 4.086 4.350 0.000 0.000 0.196 350 E C 2.200 178.770 176.600 -0.050 0.000 1.000 350 E CA 1.467 57.804 56.400 -0.105 0.000 0.804 350 E CB -0.226 29.395 29.700 -0.132 0.000 0.740 350 E HN 0.416 nan 8.360 nan 0.000 0.454 351 M N 0.174 119.741 119.600 -0.054 0.000 2.349 351 M HA -0.056 4.424 4.480 0.000 0.000 0.266 351 M C 2.145 178.453 176.300 0.013 0.000 1.076 351 M CA 1.085 56.376 55.300 -0.016 0.000 1.126 351 M CB -0.409 32.179 32.600 -0.019 0.000 1.392 351 M HN 0.045 nan 8.290 nan 0.000 0.440 352 T N 1.278 115.835 114.554 0.005 0.000 2.746 352 T HA -0.085 4.265 4.350 0.000 0.000 0.267 352 T C 1.893 176.623 174.700 0.051 0.000 1.039 352 T CA 1.075 63.191 62.100 0.027 0.000 1.142 352 T CB -0.157 68.720 68.868 0.015 0.000 0.866 352 T HN 0.301 nan 8.240 nan 0.000 0.444 353 L N 0.234 121.482 121.223 0.042 0.000 2.109 353 L HA 0.092 4.432 4.340 0.000 0.000 0.207 353 L C 2.328 179.241 176.870 0.071 0.000 1.086 353 L CA 0.754 55.628 54.840 0.057 0.000 0.760 353 L CB -0.406 41.679 42.059 0.044 0.000 0.910 353 L HN 0.217 nan 8.230 nan 0.000 0.437 354 L N -0.471 120.784 121.223 0.054 0.000 2.265 354 L HA -0.196 4.144 4.340 0.000 0.000 0.215 354 L C 2.739 179.662 176.870 0.088 0.000 1.117 354 L CA 0.955 55.828 54.840 0.055 0.000 0.782 354 L CB -0.265 41.812 42.059 0.029 0.000 0.914 354 L HN 0.239 nan 8.230 nan 0.000 0.441 355 R N -0.423 120.151 120.500 0.123 0.000 2.100 355 R HA -0.060 4.280 4.340 0.000 0.000 0.220 355 R C 2.345 178.813 176.300 0.279 0.000 1.091 355 R CA 1.068 57.297 56.100 0.215 0.000 0.986 355 R CB -0.112 30.294 30.300 0.178 0.000 0.888 355 R HN 0.295 nan 8.270 nan 0.000 0.444 356 A N 0.801 123.746 122.820 0.208 0.000 1.898 356 A HA -0.129 4.191 4.320 0.000 0.000 0.216 356 A C 1.909 179.657 177.584 0.272 0.000 1.181 356 A CA 0.945 53.130 52.037 0.245 0.000 0.620 356 A CB -0.457 18.657 19.000 0.189 0.000 0.819 356 A HN 0.278 nan 8.150 nan 0.000 0.442 357 L N -0.633 120.715 121.223 0.208 0.000 2.131 357 L HA -0.050 4.290 4.340 0.000 0.000 0.210 357 L C 2.728 179.678 176.870 0.133 0.000 1.092 357 L CA 1.796 56.751 54.840 0.191 0.000 0.759 357 L CB -0.745 41.378 42.059 0.106 0.000 0.903 357 L HN 0.398 nan 8.230 nan 0.000 0.435 358 A N -2.337 120.528 122.820 0.076 0.000 1.984 358 A HA 0.001 4.321 4.320 0.000 0.000 0.214 358 A C 1.425 178.863 177.584 -0.243 0.000 1.173 358 A CA 0.562 52.529 52.037 -0.116 0.000 0.673 358 A CB -0.433 18.440 19.000 -0.213 0.000 0.830 358 A HN 0.323 nan 8.150 nan 0.000 0.453 359 F N -0.177 119.833 119.950 0.100 0.000 2.925 359 F HA 0.256 4.783 4.527 0.000 0.000 0.302 359 F C 0.603 176.474 175.800 0.118 0.000 1.189 359 F CA -0.487 57.562 58.000 0.082 0.000 1.346 359 F CB -0.217 38.806 39.000 0.039 0.000 0.954 359 F HN 0.294 nan 8.300 nan 0.000 0.506 360 H N 0.517 119.700 119.070 0.189 0.000 2.652 360 H HA 0.129 4.685 4.556 0.000 0.000 0.349 360 H C -1.555 173.857 175.328 0.140 0.000 1.099 360 H CA -1.447 54.730 56.048 0.215 0.000 1.417 360 H CB 1.316 31.185 29.762 0.179 0.000 1.457 360 H HN -0.041 nan 8.280 nan 0.000 0.568 361 P HA -0.108 nan 4.420 nan 0.000 0.214 361 P C -0.165 177.286 177.300 0.251 0.000 1.162 361 P CA 1.145 64.392 63.100 0.244 0.000 0.879 361 P CB 0.293 32.093 31.700 0.167 0.000 0.786 362 R N -0.395 120.317 120.500 0.352 0.000 2.540 362 R HA 0.414 4.754 4.340 0.000 0.000 0.287 362 R C -0.112 176.144 176.300 -0.073 0.000 0.980 362 R CA -0.561 55.607 56.100 0.113 0.000 0.966 362 R CB 0.181 30.538 30.300 0.094 0.000 1.106 362 R HN -0.062 nan 8.270 nan 0.000 0.480 363 M N 2.549 122.106 119.600 -0.072 0.000 2.303 363 M HA -0.173 4.307 4.480 0.000 0.000 0.189 363 M C -2.153 174.077 176.300 -0.117 0.000 0.688 363 M CA 0.122 55.354 55.300 -0.114 0.000 0.479 363 M CB -1.201 31.302 32.600 -0.163 0.000 1.094 363 M HN 0.436 nan 8.290 nan 0.000 0.907 364 P HA 0.427 nan 4.420 nan 0.000 0.278 364 P C -0.127 177.147 177.300 -0.044 0.000 1.266 364 P CA -0.675 62.414 63.100 -0.019 0.000 0.807 364 P CB 0.741 32.445 31.700 0.007 0.000 1.094 365 L N 1.417 122.609 121.223 -0.052 0.000 2.543 365 L HA 0.094 4.434 4.340 0.000 0.000 0.285 365 L C -1.261 175.578 176.870 -0.052 0.000 1.236 365 L CA -0.993 53.815 54.840 -0.054 0.000 0.871 365 L CB -0.927 41.094 42.059 -0.062 0.000 1.121 365 L HN 0.374 nan 8.230 nan 0.000 0.501 366 P HA 0.422 nan 4.420 nan 0.000 0.285 366 P C -1.436 175.844 177.300 -0.033 0.000 1.269 366 P CA -0.697 62.383 63.100 -0.034 0.000 0.844 366 P CB 1.557 33.240 31.700 -0.027 0.000 1.094 367 E N 0.818 121.002 120.200 -0.028 0.000 2.321 367 E HA 0.414 4.764 4.350 0.000 0.000 0.281 367 E C -1.996 174.593 176.600 -0.019 0.000 0.910 367 E CA -1.176 55.209 56.400 -0.025 0.000 0.770 367 E CB 0.927 30.610 29.700 -0.029 0.000 1.225 367 E HN 0.506 nan 8.360 nan 0.000 0.417 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 368 P CB 0.000 31.693 31.700 -0.011 0.000 0.726