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_B 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 0.000 175.900 175.900 0.000 0.000 1.272 3 Y CA 0.000 58.099 58.100 -0.002 0.000 1.940 3 Y CB 0.000 38.456 38.460 -0.006 0.000 1.050 4 Q N 2.876 122.779 119.800 0.172 0.000 2.913 4 Q HA 0.284 4.624 4.340 -0.000 0.000 0.213 4 Q C -1.985 174.070 176.000 0.091 0.000 0.981 4 Q CA -0.708 55.145 55.803 0.084 0.000 1.133 4 Q CB 2.789 31.569 28.738 0.071 0.000 1.839 4 Q HN 0.537 nan 8.270 nan 0.000 0.540 5 V N 4.407 124.366 119.914 0.076 0.000 2.427 5 V HA 0.250 4.370 4.120 -0.000 0.000 0.286 5 V C 1.379 177.545 176.094 0.121 0.000 1.034 5 V CA -0.313 62.036 62.300 0.081 0.000 0.893 5 V CB 1.416 33.275 31.823 0.059 0.000 0.982 5 V HN 0.852 nan 8.190 nan 0.000 0.452 6 L N 3.516 124.824 121.223 0.141 0.000 2.013 6 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 6 L C 2.603 179.624 176.870 0.253 0.000 1.073 6 L CA 2.196 57.174 54.840 0.230 0.000 0.753 6 L CB -0.483 41.627 42.059 0.087 0.000 0.890 6 L HN 0.891 nan 8.230 nan 0.000 0.432 7 A N 0.235 123.134 122.820 0.131 0.000 1.908 7 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 7 A C 2.307 179.965 177.584 0.122 0.000 1.181 7 A CA 2.171 54.275 52.037 0.112 0.000 0.627 7 A CB -0.488 18.549 19.000 0.061 0.000 0.818 7 A HN 0.394 nan 8.150 nan 0.000 0.445 8 R N 0.088 120.645 120.500 0.095 0.000 2.075 8 R HA 0.010 4.350 4.340 -0.000 0.000 0.226 8 R C 2.050 178.375 176.300 0.042 0.000 1.114 8 R CA 2.036 58.167 56.100 0.052 0.000 0.972 8 R CB -0.506 29.809 30.300 0.024 0.000 0.869 8 R HN 0.437 nan 8.270 nan 0.000 0.437 9 K N -0.970 119.476 120.400 0.076 0.000 2.283 9 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 9 K C 0.199 176.680 176.600 -0.199 0.000 1.048 9 K CA 1.114 57.375 56.287 -0.044 0.000 0.948 9 K CB 0.011 32.506 32.500 -0.008 0.000 0.742 9 K HN 0.264 nan 8.250 nan 0.000 0.458 10 W N 1.480 122.779 121.300 -0.002 0.000 3.102 10 W HA 0.271 4.930 4.660 -0.000 0.000 0.401 10 W C -0.079 176.437 176.519 -0.004 0.000 1.070 10 W CA -0.696 56.653 57.345 0.007 0.000 1.921 10 W CB 0.213 29.687 29.460 0.023 0.000 1.118 10 W HN -0.193 nan 8.180 nan 0.000 0.647 11 R N 1.938 122.494 120.500 0.093 0.000 2.504 11 R HA 0.007 4.347 4.340 -0.000 0.000 0.291 11 R C -2.161 174.154 176.300 0.024 0.000 0.974 11 R CA -1.027 55.102 56.100 0.048 0.000 1.077 11 R CB 0.142 30.444 30.300 0.003 0.000 0.926 11 R HN -0.223 nan 8.270 nan 0.000 0.407 12 P HA -0.028 nan 4.420 nan 0.000 0.264 12 P C -0.307 176.986 177.300 -0.013 0.000 1.193 12 P CA 0.141 63.257 63.100 0.026 0.000 0.763 12 P CB 0.789 32.510 31.700 0.034 0.000 0.810 13 Q N 0.638 120.419 119.800 -0.032 0.000 2.282 13 Q HA 0.161 4.501 4.340 -0.000 0.000 0.206 13 Q C 0.021 175.979 176.000 -0.069 0.000 0.878 13 Q CA 0.718 56.483 55.803 -0.063 0.000 0.944 13 Q CB 0.478 29.166 28.738 -0.082 0.000 1.100 13 Q HN 0.490 nan 8.270 nan 0.000 0.509 14 T N -1.715 112.822 114.554 -0.030 0.000 2.802 14 T HA 0.328 4.678 4.350 -0.000 0.000 0.311 14 T C 0.232 174.998 174.700 0.110 0.000 1.405 14 T CA -0.669 61.412 62.100 -0.032 0.000 1.016 14 T CB 0.412 69.263 68.868 -0.029 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 -0.032 4.495 4.527 -0.000 0.000 0.299 15 F C 2.898 178.661 175.800 -0.062 0.000 1.096 15 F CA 1.399 59.352 58.000 -0.078 0.000 1.255 15 F CB -1.439 37.514 39.000 -0.078 0.000 0.997 15 F HN 0.837 nan 8.300 nan 0.000 0.479 16 A N 0.459 123.376 122.820 0.162 0.000 2.009 16 A HA -0.262 4.058 4.320 -0.000 0.000 0.222 16 A C 1.119 178.727 177.584 0.040 0.000 1.175 16 A CA 2.289 54.368 52.037 0.069 0.000 0.651 16 A CB -1.195 17.829 19.000 0.040 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 0.047 0.000 2.559 17 D HA 0.342 4.982 4.640 -0.000 0.000 0.234 17 D C 0.043 176.365 176.300 0.035 0.000 1.226 17 D CA 0.103 54.125 54.000 0.037 0.000 0.830 17 D CB -0.027 40.803 40.800 0.051 0.000 1.028 17 D HN 0.376 nan 8.370 nan 0.000 0.492 18 V N -1.440 118.484 119.914 0.017 0.000 2.539 18 V HA 0.494 4.614 4.120 -0.000 0.000 0.292 18 V C 0.095 176.171 176.094 -0.029 0.000 1.045 18 V CA -0.914 61.384 62.300 -0.005 0.000 0.945 18 V CB 1.759 33.563 31.823 -0.032 0.000 0.993 18 V HN -0.025 nan 8.190 nan 0.000 0.464 19 V N 5.986 125.885 119.914 -0.026 0.000 2.439 19 V HA 0.503 4.623 4.120 -0.000 0.000 0.271 19 V C 1.628 177.694 176.094 -0.047 0.000 1.040 19 V CA 0.855 63.131 62.300 -0.039 0.000 1.002 19 V CB -0.082 31.723 31.823 -0.031 0.000 1.000 19 V HN 1.728 nan 8.190 nan 0.000 0.477 20 G N 4.526 113.291 108.800 -0.058 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 -0.045 0.000 1.014 20 G CA 0.575 45.643 45.100 -0.053 0.000 0.812 20 G HN 0.798 nan 8.290 nan 0.000 0.508 21 Q N -0.584 119.177 119.800 -0.065 0.000 2.354 21 Q HA 0.298 4.638 4.340 -0.000 0.000 0.372 21 Q C 1.506 177.454 176.000 -0.087 0.000 0.923 21 Q CA 0.103 55.874 55.803 -0.053 0.000 1.123 21 Q CB 0.280 28.987 28.738 -0.051 0.000 1.298 21 Q HN 0.761 nan 8.270 nan 0.000 0.419 22 E N 0.362 120.502 120.200 -0.100 0.000 2.160 22 E HA -0.309 4.041 4.350 -0.000 0.000 0.237 22 E C 1.147 177.643 176.600 -0.173 0.000 1.069 22 E CA 1.707 58.008 56.400 -0.165 0.000 0.950 22 E CB -0.314 29.269 29.700 -0.195 0.000 0.832 22 E HN 0.513 nan 8.360 nan 0.000 0.496 23 H N -0.318 118.740 119.070 -0.019 0.000 2.543 23 H HA -0.018 4.538 4.556 -0.000 0.000 0.286 23 H C 2.028 177.364 175.328 0.015 0.000 1.037 23 H CA 0.874 56.932 56.048 0.016 0.000 1.250 23 H CB 0.096 29.890 29.762 0.053 0.000 1.373 23 H HN 0.056 nan 8.280 nan 0.000 0.580 24 V N 0.498 120.418 119.914 0.010 0.000 2.374 24 V HA -0.148 3.972 4.120 -0.000 0.000 0.241 24 V C 2.645 178.513 176.094 -0.375 0.000 1.034 24 V CA 0.719 62.901 62.300 -0.196 0.000 1.037 24 V CB -0.286 31.415 31.823 -0.203 0.000 0.682 24 V HN 0.249 nan 8.190 nan 0.000 0.463 25 L N -0.106 120.895 121.223 -0.370 0.000 2.079 25 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 25 L C 2.571 179.238 176.870 -0.339 0.000 1.081 25 L CA 1.929 56.441 54.840 -0.546 0.000 0.752 25 L CB -1.166 40.621 42.059 -0.454 0.000 0.896 25 L HN 0.374 nan 8.230 nan 0.000 0.433 26 T N 0.035 114.489 114.554 -0.166 0.000 2.701 26 T HA -0.128 4.222 4.350 -0.000 0.000 0.263 26 T C 2.103 176.809 174.700 0.011 0.000 1.040 26 T CA 1.282 63.350 62.100 -0.053 0.000 1.147 26 T CB -0.262 68.588 68.868 -0.030 0.000 0.865 26 T HN 0.435 nan 8.240 nan 0.000 0.426 27 A N 1.538 124.385 122.820 0.044 0.000 1.873 27 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 27 A C 2.332 179.981 177.584 0.108 0.000 1.193 27 A CA 1.611 53.733 52.037 0.142 0.000 0.629 27 A CB -1.096 18.081 19.000 0.295 0.000 0.826 27 A HN 0.479 nan 8.150 nan 0.000 0.447 28 L N -1.023 120.168 121.223 -0.054 0.000 2.046 28 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 28 L C 3.063 180.039 176.870 0.178 0.000 1.077 28 L CA 1.161 56.005 54.840 0.007 0.000 0.747 28 L CB -0.534 41.392 42.059 -0.221 0.000 0.896 28 L HN 0.458 nan 8.230 nan 0.000 0.432 29 A N -0.255 122.662 122.820 0.162 0.000 2.015 29 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 29 A C 2.027 179.700 177.584 0.149 0.000 1.163 29 A CA 1.488 53.680 52.037 0.258 0.000 0.646 29 A CB -0.403 18.750 19.000 0.255 0.000 0.806 29 A HN 0.409 nan 8.150 nan 0.000 0.448 30 N N 0.290 119.061 118.700 0.118 0.000 2.173 30 N HA -0.065 4.675 4.740 -0.000 0.000 0.184 30 N C 1.918 177.492 175.510 0.107 0.000 1.025 30 N CA 1.417 54.527 53.050 0.100 0.000 0.852 30 N CB -0.888 37.657 38.487 0.096 0.000 0.998 30 N HN 0.410 nan 8.380 nan 0.000 0.427 31 G N 1.414 110.297 108.800 0.137 0.000 2.442 31 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 31 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 31 G C 1.576 176.545 174.900 0.115 0.000 1.141 31 G CA 0.370 45.554 45.100 0.141 0.000 0.763 31 G HN 0.252 nan 8.290 nan 0.000 0.554 32 L N 0.501 121.797 121.223 0.120 0.000 2.275 32 L HA 0.002 4.341 4.340 -0.000 0.000 0.215 32 L C 2.796 179.705 176.870 0.065 0.000 1.119 32 L CA 0.707 55.599 54.840 0.085 0.000 0.790 32 L CB 0.057 42.163 42.059 0.078 0.000 0.919 32 L HN 0.203 nan 8.230 nan 0.000 0.443 33 S N -0.797 114.944 115.700 0.069 0.000 2.470 33 S HA 0.149 4.619 4.470 -0.000 0.000 0.222 33 S C 1.520 176.151 174.600 0.051 0.000 1.024 33 S CA 0.214 58.445 58.200 0.053 0.000 0.931 33 S CB 0.281 63.511 63.200 0.050 0.000 0.791 33 S HN 0.292 nan 8.310 nan 0.000 0.513 34 L N 0.895 122.152 121.223 0.057 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 0.199 55.068 54.840 0.049 0.000 0.909 34 L CB -0.359 41.728 42.059 0.047 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 -0.319 3.640 3.960 -0.000 0.000 0.260 35 G HA3 -0.319 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 -0.008 45.130 45.100 0.064 0.000 0.683 35 G HN 0.445 nan 8.290 nan 0.000 0.527 36 R N -0.204 120.312 120.500 0.028 0.000 2.235 36 R HA 0.535 4.875 4.340 -0.000 0.000 0.338 36 R C -0.472 175.816 176.300 -0.021 0.000 1.087 36 R CA -0.151 55.931 56.100 -0.029 0.000 0.948 36 R CB 0.374 30.660 30.300 -0.024 0.000 1.099 36 R HN 0.288 nan 8.270 nan 0.000 0.483 37 I N 2.049 122.577 120.570 -0.070 0.000 2.499 37 I HA 0.219 4.389 4.170 -0.000 0.000 0.288 37 I C 0.313 176.354 176.117 -0.126 0.000 1.048 37 I CA -0.717 60.604 61.300 0.036 0.000 1.062 37 I CB 1.606 39.631 38.000 0.043 0.000 1.238 37 I HN 0.372 nan 8.210 nan 0.000 0.426 38 H N 4.279 123.300 119.070 -0.082 0.000 2.546 38 H HA 0.258 4.814 4.556 -0.000 0.000 0.365 38 H C 0.477 175.712 175.328 -0.155 0.000 1.220 38 H CA -0.210 55.638 56.048 -0.333 0.000 1.386 38 H CB 1.086 30.499 29.762 -0.582 0.000 1.510 38 H HN 0.583 nan 8.280 nan 0.000 0.591 39 H N 0.232 119.337 119.070 0.058 0.000 2.421 39 H HA 0.122 4.678 4.556 -0.000 0.000 0.298 39 H C 0.494 175.932 175.328 0.185 0.000 1.087 39 H CA 1.002 57.114 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 -0.328 122.593 122.820 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 51.523 52.037 0.199 0.000 0.688 40 A CB 1.197 20.309 19.000 0.188 0.000 1.282 40 A HN 0.082 nan 8.150 nan 0.000 0.400 41 Y N 0.759 121.095 120.300 0.060 0.000 2.376 41 Y HA 0.611 5.161 4.550 -0.000 0.000 0.340 41 Y C -0.291 175.481 175.900 -0.213 0.000 0.965 41 Y CA -0.709 57.326 58.100 -0.108 0.000 1.078 41 Y CB 2.224 40.625 38.460 -0.098 0.000 1.193 41 Y HN 0.671 nan 8.280 nan 0.000 0.452 42 L N 4.240 125.363 121.223 -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 -0.592 54.164 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 3.289 123.336 119.950 0.161 0.000 2.444 43 F HA 0.687 5.214 4.527 -0.000 0.000 0.342 43 F C 0.344 176.165 175.800 0.036 0.000 1.121 43 F CA -0.293 57.777 58.000 0.115 0.000 0.997 43 F CB 1.988 41.039 39.000 0.085 0.000 1.130 43 F HN 0.586 nan 8.300 nan 0.000 0.454 44 S N 1.264 117.016 115.700 0.087 0.000 2.599 44 S HA 1.019 5.489 4.470 -0.000 0.000 0.294 44 S C -0.415 173.944 174.600 -0.402 0.000 1.094 44 S CA -0.721 57.413 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 1.249 nan 8.310 nan 0.000 0.488 45 G N 0.516 109.133 108.800 -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 -0.759 44.189 45.100 -0.254 0.000 0.949 45 G HN 0.841 nan 8.290 nan 0.000 0.651 46 T N 0.424 114.989 114.554 0.019 0.000 2.903 46 T HA 0.370 4.720 4.350 -0.000 0.000 0.314 46 T C 1.100 175.817 174.700 0.029 0.000 1.078 46 T CA 0.218 62.340 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 1.034 121.556 120.500 0.037 0.000 2.458 47 R HA 0.377 4.717 4.340 -0.000 0.000 0.303 47 R C 1.046 177.362 176.300 0.027 0.000 1.013 47 R CA 0.942 57.064 56.100 0.037 0.000 1.026 47 R CB -0.499 29.827 30.300 0.044 0.000 0.948 47 R HN 0.864 nan 8.270 nan 0.000 0.417 48 G N 2.244 111.056 108.800 0.021 0.000 3.898 48 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.196 48 G HA3 -0.180 3.779 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 -0.227 44.882 45.100 0.015 0.000 0.942 48 G HN 0.555 nan 8.290 nan 0.000 0.400 49 V N 2.079 121.997 119.914 0.006 0.000 3.332 49 V HA 0.429 4.549 4.120 -0.000 0.000 0.305 49 V C 1.720 177.803 176.094 -0.018 0.000 1.114 49 V CA 0.779 63.077 62.300 -0.004 0.000 1.194 49 V CB 1.095 32.916 31.823 -0.003 0.000 1.027 49 V HN 0.996 nan 8.190 nan 0.000 0.492 50 G N 1.096 109.873 108.800 -0.038 0.000 3.213 50 G HA2 0.138 4.098 3.960 -0.000 0.000 0.263 50 G HA3 0.138 4.098 3.960 -0.000 0.000 0.263 50 G C 0.725 175.560 174.900 -0.108 0.000 0.829 50 G CA -0.342 44.721 45.100 -0.061 0.000 1.983 50 G HN 0.810 nan 8.290 nan 0.000 0.616 51 K N 0.259 120.614 120.400 -0.074 0.000 1.967 51 K HA -0.125 4.195 4.320 -0.000 0.000 0.212 51 K C 2.987 179.486 176.600 -0.168 0.000 1.044 51 K CA 1.843 58.077 56.287 -0.090 0.000 0.942 51 K CB -0.240 32.279 32.500 0.032 0.000 0.726 51 K HN 0.468 nan 8.250 nan 0.000 0.440 52 T N -0.812 113.703 114.554 -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 2.056 64.125 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 0.094 nan 8.240 nan 0.000 0.455 53 S N -0.004 115.636 115.700 -0.101 0.000 2.402 53 S HA 0.100 4.569 4.470 -0.000 0.000 0.229 53 S C 1.937 176.460 174.600 -0.129 0.000 1.021 53 S CA 0.949 59.096 58.200 -0.090 0.000 0.974 53 S CB -0.506 62.659 63.200 -0.058 0.000 0.800 53 S HN 0.646 nan 8.310 nan 0.000 0.484 54 I N 1.115 121.540 120.570 -0.241 0.000 2.406 54 I HA -0.035 4.134 4.170 -0.000 0.000 0.249 54 I C 2.688 178.611 176.117 -0.324 0.000 1.122 54 I CA 0.830 61.952 61.300 -0.296 0.000 1.431 54 I CB -0.507 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 1.065 123.617 122.820 -0.447 0.000 1.940 55 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 55 A C 2.407 179.933 177.584 -0.096 0.000 1.176 55 A CA 1.439 53.317 52.037 -0.264 0.000 0.631 55 A CB -0.549 18.386 19.000 -0.109 0.000 0.814 55 A HN 0.286 nan 8.150 nan 0.000 0.446 56 R N -0.619 119.829 120.500 -0.087 0.000 2.082 56 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 56 R C 2.072 178.323 176.300 -0.081 0.000 1.136 56 R CA 1.765 57.825 56.100 -0.067 0.000 0.935 56 R CB -0.677 29.585 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 -0.211 4.129 4.340 -0.000 0.000 0.214 57 L C 2.393 179.132 176.870 -0.218 0.000 1.097 57 L CA 0.615 55.390 54.840 -0.109 0.000 0.764 57 L CB -0.389 41.708 42.059 0.062 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 0.067 4.406 4.340 -0.000 0.000 0.207 58 L C 2.535 179.353 176.870 -0.088 0.000 1.094 58 L CA 1.627 56.454 54.840 -0.021 0.000 0.790 58 L CB -0.446 41.641 42.059 0.047 0.000 0.932 58 L HN 0.070 nan 8.230 nan 0.000 0.447 59 A N -0.572 122.205 122.820 -0.071 0.000 1.929 59 A HA -0.180 4.140 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 1.564 53.570 52.037 -0.051 0.000 0.628 59 A CB -0.489 18.496 19.000 -0.024 0.000 0.816 59 A HN 0.437 nan 8.150 nan 0.000 0.444 60 K N -0.485 119.820 120.400 -0.160 0.000 2.147 60 K HA -0.085 4.234 4.320 -0.000 0.000 0.205 60 K C 1.937 178.410 176.600 -0.212 0.000 1.049 60 K CA 1.258 57.418 56.287 -0.213 0.000 0.936 60 K CB -0.397 31.973 32.500 -0.217 0.000 0.722 60 K HN 0.400 nan 8.250 nan 0.000 0.446 61 G N 0.900 109.554 108.800 -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 1.386 176.226 174.900 -0.099 0.000 1.176 61 G CA 0.401 45.357 45.100 -0.240 0.000 0.786 61 G HN 0.199 nan 8.290 nan 0.000 0.533 62 L N 0.436 121.631 121.223 -0.046 0.000 2.265 62 L HA 0.005 4.344 4.340 -0.000 0.000 0.215 62 L C 2.087 179.078 176.870 0.202 0.000 1.117 62 L CA 0.637 55.529 54.840 0.086 0.000 0.782 62 L CB -0.081 41.992 42.059 0.024 0.000 0.914 62 L HN 0.164 nan 8.230 nan 0.000 0.441 63 N N -1.621 117.115 118.700 0.060 0.000 2.273 63 N HA 0.022 4.761 4.740 -0.000 0.000 0.192 63 N C 0.402 175.885 175.510 -0.046 0.000 1.132 63 N CA -0.040 53.031 53.050 0.036 0.000 0.887 63 N CB 0.187 38.655 38.487 -0.031 0.000 1.048 63 N HN 0.172 nan 8.380 nan 0.000 0.490 64 C N 2.615 121.862 119.300 -0.088 0.000 2.378 64 C HA -0.056 4.404 4.460 -0.000 0.000 0.395 64 C C 1.868 176.830 174.990 -0.047 0.000 1.476 64 C CA 0.125 59.087 59.018 -0.094 0.000 1.541 64 C CB -0.416 27.264 27.740 -0.100 0.000 2.524 64 C HN 0.458 nan 8.230 nan 0.000 0.595 65 E N 2.129 122.305 120.200 -0.042 0.000 2.331 65 E HA -0.143 4.207 4.350 -0.000 0.000 0.199 65 E C 1.939 178.528 176.600 -0.017 0.000 1.008 65 E CA 1.714 58.103 56.400 -0.017 0.000 0.843 65 E CB 0.067 29.760 29.700 -0.012 0.000 0.761 65 E HN 0.890 nan 8.360 nan 0.000 0.507 66 T N -0.187 114.351 114.554 -0.027 0.000 2.867 66 T HA 0.054 4.404 4.350 -0.000 0.000 0.268 66 T C 0.720 175.413 174.700 -0.013 0.000 1.057 66 T CA 0.930 63.017 62.100 -0.023 0.000 1.136 66 T CB 0.179 69.028 68.868 -0.032 0.000 0.874 66 T HN 0.426 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 0.273 4.233 3.960 -0.000 0.000 0.283 67 G HA3 0.273 4.233 3.960 -0.000 0.000 0.283 67 G C -1.694 173.218 174.900 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 1.718 122.317 120.570 0.048 0.000 2.352 68 I HA 0.479 4.649 4.170 -0.000 0.000 0.290 68 I C 0.161 176.289 176.117 0.019 0.000 1.036 68 I CA 0.112 61.451 61.300 0.066 0.000 1.336 68 I CB 1.067 39.142 38.000 0.124 0.000 1.407 68 I HN 0.459 nan 8.210 nan 0.000 0.497 69 T N 3.863 118.402 114.554 -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 -0.486 61.584 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 0.573 nan 8.240 nan 0.000 0.499 70 A N 0.736 123.505 122.820 -0.084 0.000 2.178 70 A HA 0.275 4.594 4.320 -0.000 0.000 0.211 70 A C 1.026 178.484 177.584 -0.210 0.000 1.157 70 A CA 0.427 52.392 52.037 -0.120 0.000 0.780 70 A CB -0.227 18.807 19.000 0.056 0.000 0.828 70 A HN 0.763 nan 8.150 nan 0.000 0.476 71 T N 0.698 115.166 114.554 -0.144 0.000 3.331 71 T HA 0.502 4.852 4.350 -0.000 0.000 0.381 71 T C -3.073 171.546 174.700 -0.135 0.000 1.656 71 T CA -1.638 60.386 62.100 -0.127 0.000 1.453 71 T CB 0.868 69.699 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 0.527 177.753 177.300 -0.123 0.000 1.230 72 P CA -0.747 62.259 63.100 -0.157 0.000 0.776 72 P CB 0.284 31.861 31.700 -0.205 0.000 0.888 73 C N 1.164 120.406 119.300 -0.097 0.000 2.593 73 C HA 0.539 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 0.006 58.977 59.018 -0.080 0.000 2.007 73 C CB -0.196 27.506 27.740 -0.063 0.000 2.614 73 C HN 0.765 nan 8.230 nan 0.000 0.585 74 G N 1.780 110.528 108.800 -0.085 0.000 3.124 74 G HA2 0.203 4.162 3.960 -0.000 0.000 0.212 74 G HA3 0.203 4.162 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 -1.239 118.634 119.914 -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 -0.040 62.225 62.300 -0.058 0.000 1.106 75 V CB -1.316 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 1.598 120.865 119.300 -0.054 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 0.488 59.480 59.018 -0.044 0.000 2.170 76 C CB -0.076 27.638 27.740 -0.044 0.000 2.650 76 C HN 0.601 nan 8.230 nan 0.000 0.736 77 D N 1.071 121.459 120.400 -0.020 0.000 2.178 77 D HA -0.096 4.543 4.640 -0.000 0.000 0.202 77 D C 1.753 178.046 176.300 -0.011 0.000 0.974 77 D CA 1.486 55.487 54.000 0.001 0.000 0.841 77 D CB -0.371 40.451 40.800 0.036 0.000 0.953 77 D HN 0.648 nan 8.370 nan 0.000 0.478 78 N N 0.568 119.237 118.700 -0.051 0.000 2.058 78 N HA -0.118 4.621 4.740 -0.000 0.000 0.191 78 N C 2.028 177.328 175.510 -0.350 0.000 1.037 78 N CA 0.804 53.705 53.050 -0.248 0.000 0.848 78 N CB -0.860 37.480 38.487 -0.245 0.000 1.021 78 N HN 0.190 nan 8.380 nan 0.000 0.422 79 C N 0.829 119.993 119.300 -0.227 0.000 2.413 79 C HA -0.063 4.397 4.460 -0.000 0.000 0.276 79 C C 2.660 177.554 174.990 -0.160 0.000 1.236 79 C CA 0.469 59.366 59.018 -0.201 0.000 1.735 79 C CB -1.000 26.651 27.740 -0.148 0.000 2.031 79 C HN 0.460 nan 8.230 nan 0.000 0.474 80 R N 0.509 120.942 120.500 -0.113 0.000 2.081 80 R HA -0.132 4.207 4.340 -0.000 0.000 0.235 80 R C 2.160 178.421 176.300 -0.064 0.000 1.131 80 R CA 1.525 57.578 56.100 -0.079 0.000 0.960 80 R CB -0.277 29.992 30.300 -0.053 0.000 0.856 80 R HN 0.666 nan 8.270 nan 0.000 0.436 81 E N 0.294 120.465 120.200 -0.047 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 0.992 57.405 56.400 0.022 0.000 0.803 81 E CB -0.034 29.779 29.700 0.188 0.000 0.755 81 E HN 0.314 nan 8.360 nan 0.000 0.453 82 I N 1.109 121.580 120.570 -0.165 0.000 2.286 82 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 82 I C 2.481 178.542 176.117 -0.094 0.000 1.115 82 I CA 0.976 62.176 61.300 -0.167 0.000 1.392 82 I CB -0.125 37.685 38.000 -0.317 0.000 1.065 82 I HN 0.059 nan 8.210 nan 0.000 0.418 83 E N 1.218 121.358 120.200 -0.099 0.000 2.106 83 E HA -0.218 4.131 4.350 -0.000 0.000 0.192 83 E C 2.053 178.623 176.600 -0.049 0.000 0.984 83 E CA 1.448 57.803 56.400 -0.075 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 -1.011 118.767 119.800 -0.037 0.000 2.472 84 Q HA 0.138 4.477 4.340 -0.000 0.000 0.208 84 Q C 0.682 176.679 176.000 -0.005 0.000 0.958 84 Q CA 0.470 56.260 55.803 -0.022 0.000 0.932 84 Q CB 0.341 29.069 28.738 -0.016 0.000 1.007 84 Q HN 0.390 nan 8.270 nan 0.000 0.508 85 G N 1.967 110.768 108.800 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 -0.020 174.903 174.900 0.038 0.000 1.067 85 G CA 0.117 45.228 45.100 0.019 0.000 0.902 85 G HN 0.303 nan 8.290 nan 0.000 0.500 86 R N -0.940 119.599 120.500 0.064 0.000 2.647 86 R HA 0.316 4.656 4.340 -0.000 0.000 0.295 86 R C -0.640 175.742 176.300 0.137 0.000 1.267 86 R CA -0.567 55.574 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 0.411 120.339 119.950 -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 40.213 39.000 -0.034 0.000 1.156 87 F HN -0.121 nan 8.300 nan 0.000 0.483 88 V N 2.179 121.733 119.914 -0.599 0.000 2.252 88 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 88 V C 1.520 177.377 176.094 -0.396 0.000 1.056 88 V CA 2.334 64.355 62.300 -0.464 0.000 1.022 88 V CB -0.635 30.880 31.823 -0.514 0.000 0.641 88 V HN 0.739 nan 8.190 nan 0.000 0.445 89 D N 0.056 120.084 120.400 -0.619 0.000 2.347 89 D HA 0.073 4.713 4.640 -0.000 0.000 0.213 89 D C 0.895 177.218 176.300 0.038 0.000 0.985 89 D CA 0.289 54.161 54.000 -0.213 0.000 0.879 89 D CB 0.319 41.039 40.800 -0.134 0.000 0.919 89 D HN 0.345 nan 8.370 nan 0.000 0.526 90 L N 2.246 123.603 121.223 0.224 0.000 2.389 90 L HA 0.258 4.598 4.340 -0.000 0.000 0.265 90 L C -0.347 176.513 176.870 -0.018 0.000 1.167 90 L CA -0.258 54.669 54.840 0.145 0.000 1.045 90 L CB -0.446 41.739 42.059 0.209 0.000 1.351 90 L HN -0.156 nan 8.230 nan 0.000 0.419 91 I N 3.922 124.376 120.570 -0.193 0.000 2.436 91 I HA 0.110 4.280 4.170 -0.000 0.000 0.289 91 I C 0.157 176.185 176.117 -0.149 0.000 1.083 91 I CA 0.095 61.237 61.300 -0.263 0.000 1.372 91 I CB 0.332 37.969 38.000 -0.606 0.000 1.408 91 I HN 0.529 nan 8.210 nan 0.000 0.516 92 E N 7.097 127.267 120.200 -0.049 0.000 2.129 92 E HA 0.534 4.883 4.350 -0.000 0.000 0.268 92 E C -0.937 175.687 176.600 0.039 0.000 0.900 92 E CA -0.601 55.808 56.400 0.014 0.000 0.755 92 E CB 1.998 31.712 29.700 0.023 0.000 1.117 92 E HN 0.390 nan 8.360 nan 0.000 0.410 93 I N 1.487 122.104 120.570 0.078 0.000 2.863 93 I HA 0.309 4.479 4.170 -0.000 0.000 0.311 93 I C -0.427 175.740 176.117 0.083 0.000 1.026 93 I CA -0.557 60.796 61.300 0.089 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 2.080 122.521 120.400 0.069 0.000 2.328 94 D HA 0.472 5.111 4.640 -0.000 0.000 0.243 94 D C 0.397 176.725 176.300 0.046 0.000 1.324 94 D CA -0.356 53.678 54.000 0.056 0.000 0.966 94 D CB 1.273 42.099 40.800 0.044 0.000 1.324 94 D HN 0.585 nan 8.370 nan 0.000 0.549 95 A N 2.961 125.808 122.820 0.044 0.000 2.186 95 A HA 0.039 4.359 4.320 -0.000 0.000 0.219 95 A C 2.164 179.749 177.584 0.003 0.000 1.159 95 A CA 1.703 53.758 52.037 0.030 0.000 0.680 95 A CB -0.438 18.576 19.000 0.024 0.000 0.787 95 A HN 0.637 nan 8.150 nan 0.000 0.467 96 A N 0.106 122.923 122.820 -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 1.440 53.472 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 -1.500 114.210 115.700 0.018 0.000 2.632 97 S HA 0.427 4.897 4.470 -0.000 0.000 0.267 97 S C 0.633 175.246 174.600 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 0.067 120.579 120.500 0.020 0.000 2.334 98 R HA 0.150 4.490 4.340 -0.000 0.000 0.212 98 R C 0.413 176.725 176.300 0.019 0.000 0.897 98 R CA 0.342 56.454 56.100 0.020 0.000 1.056 98 R CB 0.035 30.346 30.300 0.017 0.000 1.046 98 R HN 0.643 nan 8.270 nan 0.000 0.513 99 T N 1.007 115.572 114.554 0.019 0.000 3.214 99 T HA 0.174 4.524 4.350 -0.000 0.000 0.264 99 T C 0.040 174.752 174.700 0.019 0.000 1.012 99 T CA -0.107 62.003 62.100 0.017 0.000 0.901 99 T CB 0.211 69.088 68.868 0.015 0.000 1.070 99 T HN 0.024 nan 8.240 nan 0.000 0.561 100 K N 1.015 121.430 120.400 0.024 0.000 2.382 100 K HA 0.222 4.542 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 -0.412 55.891 56.287 0.027 0.000 0.970 100 K CB 1.040 33.562 32.500 0.036 0.000 0.934 100 K HN -0.107 nan 8.250 nan 0.000 0.479 101 V N 2.123 122.050 119.914 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 63.947 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 0.618 120.835 120.200 0.029 0.000 2.113 102 E HA 0.262 4.612 4.350 -0.000 0.000 0.273 102 E C -1.261 175.369 176.600 0.050 0.000 0.924 102 E CA -0.541 55.881 56.400 0.037 0.000 0.764 102 E CB 1.091 30.814 29.700 0.040 0.000 1.104 102 E HN 0.408 nan 8.360 nan 0.000 0.406 103 D N 1.811 122.241 120.400 0.051 0.000 2.341 103 D HA 0.006 4.646 4.640 -0.000 0.000 0.245 103 D C 1.174 177.524 176.300 0.084 0.000 1.106 103 D CA -0.020 54.017 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 1.041 115.655 114.554 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 2.089 64.264 62.100 0.125 0.000 1.155 104 T CB -0.229 68.714 68.868 0.124 0.000 0.837 104 T HN 0.464 nan 8.240 nan 0.000 0.479 105 R N 0.883 121.443 120.500 0.100 0.000 2.096 105 R HA -0.168 4.172 4.340 -0.000 0.000 0.240 105 R C 2.110 178.463 176.300 0.087 0.000 1.139 105 R CA 2.147 58.300 56.100 0.087 0.000 0.952 105 R CB -0.311 30.039 30.300 0.083 0.000 0.854 105 R HN 0.458 nan 8.270 nan 0.000 0.436 106 D N 0.389 120.841 120.400 0.087 0.000 2.097 106 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 106 D C 2.038 178.409 176.300 0.119 0.000 0.984 106 D CA 1.160 55.213 54.000 0.088 0.000 0.826 106 D CB -0.213 40.630 40.800 0.072 0.000 0.973 106 D HN 0.290 nan 8.370 nan 0.000 0.460 107 L N 0.434 121.741 121.223 0.140 0.000 2.093 107 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 107 L C 2.427 179.464 176.870 0.279 0.000 1.085 107 L CA 0.575 55.535 54.840 0.200 0.000 0.755 107 L CB -0.264 41.918 42.059 0.205 0.000 0.904 107 L HN 0.008 nan 8.230 nan 0.000 0.435 108 L N -0.890 120.458 121.223 0.208 0.000 2.478 108 L HA -0.128 4.211 4.340 -0.000 0.000 0.223 108 L C 2.115 179.036 176.870 0.085 0.000 1.140 108 L CA 0.475 55.393 54.840 0.130 0.000 0.842 108 L CB -0.527 41.575 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 0.110 0.000 2.097 109 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 109 D C 1.151 177.515 176.300 0.106 0.000 0.989 109 D CA 1.048 55.101 54.000 0.089 0.000 0.827 109 D CB 0.183 41.042 40.800 0.099 0.000 0.966 109 D HN 0.323 nan 8.370 nan 0.000 0.456 110 N N 0.626 119.447 118.700 0.201 0.000 2.421 110 N HA -0.045 4.695 4.740 -0.000 0.000 0.201 110 N C 1.643 177.303 175.510 0.251 0.000 1.198 110 N CA -0.046 53.198 53.050 0.322 0.000 0.838 110 N CB 0.629 39.422 38.487 0.509 0.000 1.011 110 N HN 0.109 nan 8.380 nan 0.000 0.463 111 V N 1.314 121.303 119.914 0.124 0.000 2.317 111 V HA -0.267 3.852 4.120 -0.000 0.000 0.251 111 V C 2.050 178.195 176.094 0.085 0.000 1.065 111 V CA 1.728 64.061 62.300 0.054 0.000 1.049 111 V CB -0.306 31.463 31.823 -0.091 0.000 0.651 111 V HN 0.445 nan 8.190 nan 0.000 0.450 112 Q N -1.851 117.944 119.800 -0.007 0.000 2.482 112 Q HA -0.024 4.316 4.340 -0.000 0.000 0.209 112 Q C -0.117 175.939 176.000 0.094 0.000 0.961 112 Q CA 0.181 56.006 55.803 0.037 0.000 0.945 112 Q CB -0.049 28.645 28.738 -0.073 0.000 1.012 112 Q HN 0.649 nan 8.270 nan 0.000 0.515 113 Y N 0.875 121.306 120.300 0.217 0.000 2.393 113 Y HA 0.222 4.772 4.550 -0.000 0.000 0.338 113 Y C 0.748 176.701 175.900 0.087 0.000 1.029 113 Y CA -0.981 57.184 58.100 0.108 0.000 1.239 113 Y CB 0.603 39.111 38.460 0.080 0.000 1.170 113 Y HN 0.057 nan 8.280 nan 0.000 0.515 114 A N 7.343 130.138 122.820 -0.042 0.000 2.507 114 A HA 0.155 4.475 4.320 -0.000 0.000 0.235 114 A C -2.128 175.436 177.584 -0.033 0.000 1.070 114 A CA -1.198 50.628 52.037 -0.351 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 0.299 177.566 177.300 -0.055 0.000 1.215 115 P CA 0.525 63.632 63.100 0.012 0.000 0.780 115 P CB 1.053 32.776 31.700 0.038 0.000 0.898 116 A N 2.085 124.849 122.820 -0.094 0.000 2.178 116 A HA 0.087 4.407 4.320 -0.000 0.000 0.211 116 A C 1.088 178.597 177.584 -0.125 0.000 1.157 116 A CA 0.855 52.823 52.037 -0.114 0.000 0.780 116 A CB -0.393 18.523 19.000 -0.139 0.000 0.828 116 A HN 0.564 nan 8.150 nan 0.000 0.476 117 R N -2.253 118.162 120.500 -0.141 0.000 2.604 117 R HA 0.481 4.821 4.340 -0.000 0.000 0.261 117 R C -0.254 176.058 176.300 0.020 0.000 1.080 117 R CA 0.542 56.584 56.100 -0.096 0.000 0.917 117 R CB 0.441 30.625 30.300 -0.194 0.000 1.252 117 R HN 1.373 nan 8.270 nan 0.000 0.456 118 G N 2.662 111.521 108.800 0.097 0.000 2.757 118 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.686 118 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.686 118 G C 0.169 175.083 174.900 0.024 0.000 1.452 118 G CA 0.040 45.230 45.100 0.151 0.000 0.922 118 G HN 0.767 nan 8.290 nan 0.000 0.588 119 R N -0.039 120.413 120.500 -0.080 0.000 2.119 119 R HA -0.078 4.262 4.340 -0.000 0.000 0.246 119 R C 0.750 176.646 176.300 -0.675 0.000 1.146 119 R CA 1.951 57.796 56.100 -0.424 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 -0.940 119.091 119.950 0.134 0.000 2.603 120 F HA 0.393 4.919 4.527 -0.000 0.000 0.317 120 F C -0.103 175.789 175.800 0.153 0.000 1.066 120 F CA -1.237 56.851 58.000 0.146 0.000 0.941 120 F CB 1.507 40.580 39.000 0.122 0.000 1.291 120 F HN -0.365 nan 8.300 nan 0.000 0.472 121 K N 1.838 122.458 120.400 0.366 0.000 2.281 121 K HA 0.629 4.948 4.320 -0.000 0.000 0.272 121 K C -1.622 175.101 176.600 0.205 0.000 1.048 121 K CA -0.330 56.102 56.287 0.242 0.000 0.898 121 K CB 1.037 33.721 32.500 0.308 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 0.119 0.000 2.370 122 V HA 0.248 4.367 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 0.799 32.683 31.823 0.101 0.000 0.985 122 V HN 0.591 nan 8.190 nan 0.000 0.443 123 Y N 5.231 125.440 120.300 -0.152 0.000 2.367 123 Y HA 0.546 5.096 4.550 -0.000 0.000 0.342 123 Y C -0.081 175.852 175.900 0.055 0.000 0.979 123 Y CA -0.787 57.269 58.100 -0.074 0.000 1.161 123 Y CB 1.486 39.825 38.460 -0.201 0.000 1.155 123 Y HN 0.494 nan 8.280 nan 0.000 0.503 124 L N 6.506 127.815 121.223 0.144 0.000 2.294 124 L HA 0.605 4.945 4.340 -0.000 0.000 0.283 124 L C -1.124 175.850 176.870 0.173 0.000 1.015 124 L CA -0.874 54.065 54.840 0.165 0.000 0.831 124 L CB 0.220 42.340 42.059 0.102 0.000 1.217 124 L HN 0.456 nan 8.230 nan 0.000 0.420 125 I N 4.255 124.954 120.570 0.214 0.000 2.382 125 I HA 0.344 4.514 4.170 -0.000 0.000 0.286 125 I C -0.555 175.659 176.117 0.162 0.000 1.002 125 I CA -0.718 60.694 61.300 0.187 0.000 1.135 125 I CB 1.632 39.763 38.000 0.218 0.000 1.288 125 I HN 0.475 nan 8.210 nan 0.000 0.448 126 D N 6.497 126.971 120.400 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 0.373 54.439 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 2.016 122.275 120.200 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 -0.049 0.000 1.253 127 E CA 0.644 57.053 56.400 0.015 0.000 0.705 127 E CB -1.959 27.674 29.700 -0.111 0.000 1.172 127 E HN 0.427 nan 8.360 nan 0.000 0.369 128 V N -0.795 119.188 119.914 0.115 0.000 2.453 128 V HA -0.332 3.787 4.120 -0.000 0.000 0.252 128 V C 2.391 178.593 176.094 0.179 0.000 1.068 128 V CA 2.331 64.726 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 -0.557 118.598 119.070 0.142 0.000 2.568 129 H HA 0.025 4.580 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 1.294 57.391 56.048 0.081 0.000 1.199 129 H CB -0.204 29.587 29.762 0.048 0.000 1.352 129 H HN 0.406 nan 8.280 nan 0.000 0.605 130 M N 0.807 120.221 119.600 -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 0.288 32.724 32.600 -0.273 0.000 1.429 130 M HN 0.105 nan 8.290 nan 0.000 0.497 131 L N 2.117 123.372 121.223 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 0.372 42.581 42.059 0.250 0.000 1.114 131 L HN 0.307 nan 8.230 nan 0.000 0.485 132 S N 2.699 118.476 115.700 0.128 0.000 2.572 132 S HA 0.090 4.560 4.470 -0.000 0.000 0.279 132 S C 1.164 175.814 174.600 0.084 0.000 1.341 132 S CA -0.564 57.718 58.200 0.136 0.000 1.043 132 S CB 0.973 64.351 63.200 0.297 0.000 0.887 132 S HN 0.763 nan 8.310 nan 0.000 0.516 133 R N 1.408 121.839 120.500 -0.115 0.000 2.139 133 R HA -0.221 4.119 4.340 -0.000 0.000 0.243 133 R C 1.411 177.637 176.300 -0.124 0.000 1.145 133 R CA 2.162 58.164 56.100 -0.162 0.000 0.976 133 R CB -1.271 28.858 30.300 -0.285 0.000 0.866 133 R HN 0.864 nan 8.270 nan 0.000 0.449 134 H N 1.241 120.357 119.070 0.078 0.000 2.319 134 H HA -0.112 4.444 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 2.353 58.440 56.048 0.065 0.000 1.285 134 H CB -0.111 29.679 29.762 0.048 0.000 1.368 134 H HN 0.519 nan 8.280 nan 0.000 0.495 135 S N -0.385 115.435 115.700 0.199 0.000 2.439 135 S HA -0.088 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 0.216 58.499 58.200 0.137 0.000 0.946 135 S CB -0.535 62.746 63.200 0.135 0.000 0.797 135 S HN 0.348 nan 8.310 nan 0.000 0.504 136 F N 3.921 123.873 119.950 0.003 0.000 2.120 136 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 136 F C 2.071 177.846 175.800 -0.041 0.000 1.095 136 F CA 1.716 59.703 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 0.473 119.248 118.700 0.126 0.000 2.309 137 N HA -0.128 4.612 4.740 -0.000 0.000 0.182 137 N C 1.951 177.415 175.510 -0.077 0.000 1.018 137 N CA 1.078 54.143 53.050 0.026 0.000 0.876 137 N CB -0.420 38.107 38.487 0.066 0.000 0.972 137 N HN 0.432 nan 8.380 nan 0.000 0.434 138 A N 1.085 123.868 122.820 -0.062 0.000 1.930 138 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 138 A C 2.192 179.672 177.584 -0.172 0.000 1.175 138 A CA 0.779 52.770 52.037 -0.076 0.000 0.627 138 A CB -0.476 18.512 19.000 -0.021 0.000 0.815 138 A HN 0.213 nan 8.150 nan 0.000 0.443 139 L N -0.503 120.561 121.223 -0.266 0.000 2.156 139 L HA 0.031 4.371 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 -0.428 41.338 42.059 -0.488 0.000 0.914 139 L HN 0.373 nan 8.230 nan 0.000 0.439 140 L N -0.710 120.251 121.223 -0.435 0.000 2.046 140 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 140 L C 2.546 179.280 176.870 -0.227 0.000 1.077 140 L CA 1.406 56.047 54.840 -0.332 0.000 0.747 140 L CB -0.407 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 -0.860 119.428 120.400 -0.185 0.000 2.103 141 K HA -0.091 4.228 4.320 -0.000 0.000 0.204 141 K C 1.974 178.479 176.600 -0.159 0.000 1.052 141 K CA 1.660 57.866 56.287 -0.135 0.000 0.945 141 K CB -0.190 32.254 32.500 -0.094 0.000 0.722 141 K HN 0.324 nan 8.250 nan 0.000 0.443 142 T N 2.158 116.581 114.554 -0.219 0.000 2.821 142 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 142 T C 1.896 176.442 174.700 -0.257 0.000 1.046 142 T CA 0.917 62.879 62.100 -0.230 0.000 1.139 142 T CB -0.146 68.545 68.868 -0.295 0.000 0.871 142 T HN 0.105 nan 8.240 nan 0.000 0.454 143 L N 0.689 121.709 121.223 -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 1.156 55.841 54.840 -0.258 0.000 0.775 143 L CB -0.567 41.316 42.059 -0.293 0.000 0.913 143 L HN 0.351 nan 8.230 nan 0.000 0.440 144 E N 0.363 120.490 120.200 -0.123 0.000 2.106 144 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 144 E C 0.266 176.830 176.600 -0.060 0.000 0.984 144 E CA 0.875 57.230 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 0.844 120.993 120.200 -0.085 0.000 3.386 145 E HA 0.167 4.516 4.350 -0.000 0.000 0.236 145 E C -2.557 173.972 176.600 -0.119 0.000 1.227 145 E CA -1.364 54.985 56.400 -0.085 0.000 0.970 145 E CB 1.435 31.097 29.700 -0.063 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 -2.484 174.671 177.300 -0.243 0.000 1.287 146 P CA -1.658 61.332 63.100 -0.184 0.000 0.800 146 P CB 0.726 32.321 31.700 -0.175 0.000 0.945 147 P HA 0.097 nan 4.420 nan 0.000 0.268 147 P C 0.790 177.962 177.300 -0.214 0.000 1.204 147 P CA 0.129 63.105 63.100 -0.208 0.000 0.768 147 P CB 1.067 32.569 31.700 -0.331 0.000 0.842 148 E N 0.944 121.112 120.200 -0.053 0.000 2.463 148 E HA -0.215 4.135 4.350 -0.000 0.000 0.201 148 E C 1.074 177.791 176.600 0.195 0.000 1.045 148 E CA 0.744 57.185 56.400 0.068 0.000 0.872 148 E CB -0.210 29.567 29.700 0.129 0.000 0.797 148 E HN 0.651 nan 8.360 nan 0.000 0.538 149 H N -3.111 116.056 119.070 0.162 0.000 2.551 149 H HA 0.282 4.838 4.556 -0.000 0.000 0.271 149 H C -0.046 175.456 175.328 0.289 0.000 0.984 149 H CA -0.399 55.778 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 1.281 121.133 119.914 -0.103 0.000 2.715 150 V HA 0.402 4.521 4.120 -0.000 0.000 0.310 150 V C -0.415 175.657 176.094 -0.037 0.000 1.054 150 V CA -1.077 61.179 62.300 -0.072 0.000 0.928 150 V CB 2.084 33.737 31.823 -0.284 0.000 1.007 150 V HN 0.222 nan 8.190 nan 0.000 0.437 151 K N 2.686 123.030 120.400 -0.094 0.000 2.422 151 K HA 0.596 4.916 4.320 -0.000 0.000 0.251 151 K C -1.629 174.863 176.600 -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 0.025 0.000 1.238 151 K HN 0.464 nan 8.250 nan 0.000 0.428 152 F N 2.473 122.545 119.950 0.203 0.000 2.402 152 F HA 0.412 4.938 4.527 -0.000 0.000 0.355 152 F C 0.319 176.269 175.800 0.249 0.000 1.123 152 F CA -0.735 57.388 58.000 0.204 0.000 1.021 152 F CB 1.094 40.155 39.000 0.103 0.000 1.160 152 F HN 0.087 nan 8.300 nan 0.000 0.451 153 L N 6.026 127.473 121.223 0.373 0.000 2.335 153 L HA 0.440 4.780 4.340 -0.000 0.000 0.268 153 L C -0.575 176.511 176.870 0.360 0.000 1.037 153 L CA -0.316 54.755 54.840 0.384 0.000 0.895 153 L CB 0.382 42.633 42.059 0.320 0.000 1.266 153 L HN 0.517 nan 8.230 nan 0.000 0.439 154 L N 2.513 123.932 121.223 0.326 0.000 2.399 154 L HA 0.847 5.187 4.340 -0.000 0.000 0.265 154 L C 0.310 177.353 176.870 0.288 0.000 1.089 154 L CA -0.444 54.554 54.840 0.264 0.000 0.802 154 L CB 1.499 43.670 42.059 0.187 0.000 1.180 154 L HN 0.611 nan 8.230 nan 0.000 0.454 155 A N 0.826 123.799 122.820 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 -0.400 51.796 52.037 0.265 0.000 0.688 155 A CB 2.150 21.309 19.000 0.265 0.000 1.282 155 A HN 0.567 nan 8.150 nan 0.000 0.400 156 T N -0.076 114.595 114.554 0.194 0.000 2.923 156 T HA 0.518 4.868 4.350 -0.000 0.000 0.311 156 T C 0.580 175.356 174.700 0.127 0.000 1.183 156 T CA 0.456 62.689 62.100 0.222 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 0.144 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 0.579 62.711 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 0.584 120.812 120.400 -0.287 0.000 2.412 158 D HA 0.294 4.934 4.640 -0.000 0.000 0.276 158 D C -2.069 174.080 176.300 -0.253 0.000 1.196 158 D CA -2.113 51.682 54.000 -0.343 0.000 0.905 158 D CB 1.664 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 1.673 178.960 177.300 -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 0.964 120.741 119.800 -0.037 0.000 2.077 160 Q HA -0.210 4.130 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 1.647 57.430 55.803 -0.034 0.000 0.853 160 Q CB -1.371 27.346 28.738 -0.035 0.000 0.907 160 Q HN 0.292 nan 8.270 nan 0.000 0.418 161 K N 0.512 120.871 120.400 -0.068 0.000 2.442 161 K HA 0.002 4.322 4.320 -0.000 0.000 0.200 161 K C 0.678 177.262 176.600 -0.026 0.000 1.045 161 K CA 0.332 56.588 56.287 -0.053 0.000 0.937 161 K CB -0.207 32.254 32.500 -0.065 0.000 0.757 161 K HN 0.225 nan 8.250 nan 0.000 0.474 162 L N 2.069 123.295 121.223 0.004 0.000 2.375 162 L HA 0.233 4.572 4.340 -0.000 0.000 0.271 162 L C -1.921 174.965 176.870 0.027 0.000 1.107 162 L CA -2.184 52.683 54.840 0.046 0.000 0.806 162 L CB 0.404 42.532 42.059 0.115 0.000 1.146 162 L HN -0.062 nan 8.230 nan 0.000 0.447 163 P HA 0.111 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 -0.530 62.590 63.100 0.034 0.000 0.811 163 P CB 1.539 33.267 31.700 0.046 0.000 1.063 164 V N 0.978 120.903 119.914 0.018 0.000 2.469 164 V HA -0.236 3.884 4.120 -0.000 0.000 0.251 164 V C 2.599 178.698 176.094 0.008 0.000 1.064 164 V CA 2.796 65.099 62.300 0.004 0.000 1.066 164 V CB -2.117 29.701 31.823 -0.008 0.000 0.667 164 V HN 0.699 nan 8.190 nan 0.000 0.461 165 T N -0.561 114.010 114.554 0.027 0.000 2.685 165 T HA -0.282 4.068 4.350 -0.000 0.000 0.268 165 T C 1.847 176.548 174.700 0.002 0.000 1.034 165 T CA 2.224 64.336 62.100 0.020 0.000 1.149 165 T CB -0.370 68.531 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 0.124 4.294 4.170 -0.000 0.000 0.250 166 I C 2.153 178.255 176.117 -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 2.527 179.357 176.870 -0.067 0.000 1.092 167 L CA 1.537 56.357 54.840 -0.034 0.000 0.759 167 L CB -0.849 41.196 42.059 -0.023 0.000 0.903 167 L HN 0.350 nan 8.230 nan 0.000 0.435 168 S N -0.536 115.130 115.700 -0.057 0.000 2.522 168 S HA -0.053 4.417 4.470 -0.000 0.000 0.227 168 S C 1.643 176.192 174.600 -0.085 0.000 0.986 168 S CA 0.304 58.462 58.200 -0.070 0.000 0.929 168 S CB -0.164 63.005 63.200 -0.051 0.000 0.769 168 S HN 0.443 nan 8.310 nan 0.000 0.529 169 R N -0.239 120.209 120.500 -0.087 0.000 2.586 169 R HA 0.431 4.771 4.340 -0.000 0.000 0.336 169 R C -0.826 175.404 176.300 -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 -1.109 173.694 174.990 -0.312 0.000 1.334 170 C CA -1.110 57.784 59.018 -0.207 0.000 1.473 170 C CB 1.761 29.418 27.740 -0.137 0.000 1.866 170 C HN 0.237 nan 8.230 nan 0.000 0.465 171 L N 2.335 123.295 121.223 -0.438 0.000 2.276 171 L HA 0.409 4.749 4.340 -0.000 0.000 0.286 171 L C -0.037 176.567 176.870 -0.444 0.000 1.024 171 L CA 0.443 54.959 54.840 -0.541 0.000 0.826 171 L CB 0.610 42.203 42.059 -0.777 0.000 1.211 171 L HN 0.689 nan 8.230 nan 0.000 0.422 172 Q N 3.833 123.394 119.800 -0.398 0.000 2.340 172 Q HA 0.374 4.713 4.340 -0.000 0.000 0.249 172 Q C -1.440 174.302 176.000 -0.430 0.000 0.957 172 Q CA 0.206 55.835 55.803 -0.289 0.000 0.882 172 Q CB 1.281 29.926 28.738 -0.155 0.000 1.235 172 Q HN 0.499 nan 8.270 nan 0.000 0.439 173 F N 0.932 120.829 119.950 -0.090 0.000 2.671 173 F HA 0.197 4.723 4.527 -0.000 0.000 0.332 173 F C -0.165 175.703 175.800 0.114 0.000 1.189 173 F CA -0.641 57.377 58.000 0.031 0.000 0.988 173 F CB 1.270 40.308 39.000 0.065 0.000 1.258 173 F HN 0.503 nan 8.300 nan 0.000 0.471 174 H N 4.678 123.899 119.070 0.252 0.000 2.487 174 H HA 0.590 5.146 4.556 -0.000 0.000 0.333 174 H C -1.056 174.385 175.328 0.188 0.000 1.114 174 H CA -0.327 55.828 56.048 0.178 0.000 1.310 174 H CB 1.536 31.356 29.762 0.095 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 0.159 0.000 1.005 175 L CA -0.985 53.920 54.840 0.107 0.000 0.828 175 L CB 1.401 43.477 42.059 0.029 0.000 1.227 175 L HN 0.388 nan 8.230 nan 0.000 0.415 179 D N 0.903 121.306 120.400 0.004 0.000 2.424 179 D HA 0.131 4.771 4.640 -0.000 0.000 0.244 179 D C 0.950 177.252 176.300 0.004 0.000 1.134 179 D CA 0.083 54.085 54.000 0.004 0.000 0.881 179 D CB 2.031 42.830 40.800 -0.001 0.000 1.191 179 D HN 0.286 nan 8.370 nan 0.000 0.445 180 V N 4.349 124.267 119.914 0.006 0.000 2.332 180 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 180 V C 1.998 178.098 176.094 0.010 0.000 1.055 180 V CA 1.855 64.159 62.300 0.006 0.000 1.038 180 V CB -0.549 31.279 31.823 0.007 0.000 0.651 180 V HN 0.647 nan 8.190 nan 0.000 0.450 181 E N -0.709 119.498 120.200 0.012 0.000 2.516 181 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 181 E C 2.059 178.676 176.600 0.027 0.000 1.069 181 E CA 0.357 56.770 56.400 0.022 0.000 0.876 181 E CB 0.036 29.747 29.700 0.018 0.000 0.843 181 E HN 0.652 nan 8.360 nan 0.000 0.530 182 Q N 0.238 120.044 119.800 0.010 0.000 2.226 182 Q HA 0.025 4.365 4.340 -0.000 0.000 0.199 182 Q C 2.061 178.069 176.000 0.014 0.000 0.945 182 Q CA 0.367 56.167 55.803 -0.004 0.000 0.861 182 Q CB 0.347 29.074 28.738 -0.018 0.000 0.953 182 Q HN 0.258 nan 8.270 nan 0.000 0.490 183 I N 0.419 120.995 120.570 0.009 0.000 2.286 183 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 183 I C 2.641 178.758 176.117 0.001 0.000 1.104 183 I CA 0.784 62.084 61.300 -0.000 0.000 1.397 183 I CB -0.304 37.692 38.000 -0.007 0.000 1.072 183 I HN 0.189 nan 8.210 nan 0.000 0.417 184 R N 0.528 121.035 120.500 0.012 0.000 2.091 184 R HA -0.257 4.083 4.340 -0.000 0.000 0.238 184 R C 2.454 178.761 176.300 0.012 0.000 1.136 184 R CA 1.788 57.889 56.100 0.001 0.000 0.959 184 R CB -0.721 29.586 30.300 0.012 0.000 0.856 184 R HN 0.449 nan 8.270 nan 0.000 0.437 185 H N 0.222 119.267 119.070 -0.041 0.000 2.421 185 H HA -0.125 4.431 4.556 -0.000 0.000 0.298 185 H C 1.647 176.941 175.328 -0.055 0.000 1.087 185 H CA 1.899 57.925 56.048 -0.035 0.000 1.330 185 H CB 0.283 30.027 29.762 -0.030 0.000 1.388 185 H HN 0.234 nan 8.280 nan 0.000 0.526 186 Q N 0.320 120.185 119.800 0.108 0.000 2.269 186 Q HA 0.057 4.397 4.340 -0.000 0.000 0.201 186 Q C 2.563 178.484 176.000 -0.131 0.000 0.946 186 Q CA 0.568 56.375 55.803 0.008 0.000 0.877 186 Q CB -0.052 28.678 28.738 -0.014 0.000 0.963 186 Q HN 0.479 nan 8.270 nan 0.000 0.472 187 L N -0.081 121.059 121.223 -0.138 0.000 2.072 187 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 187 L C 2.354 179.044 176.870 -0.299 0.000 1.079 187 L CA 1.440 56.154 54.840 -0.210 0.000 0.752 187 L CB -0.372 41.589 42.059 -0.164 0.000 0.906 187 L HN 0.366 nan 8.230 nan 0.000 0.436 188 E N -0.589 119.449 120.200 -0.270 0.000 2.130 188 E HA -0.313 4.037 4.350 -0.000 0.000 0.196 188 E C 2.201 178.644 176.600 -0.262 0.000 0.998 188 E CA 1.368 57.580 56.400 -0.313 0.000 0.806 188 E CB -0.036 29.547 29.700 -0.196 0.000 0.738 188 E HN 0.468 nan 8.360 nan 0.000 0.459 189 H N 0.167 119.033 119.070 -0.341 0.000 2.333 189 H HA -0.037 4.519 4.556 -0.000 0.000 0.302 189 H C 2.263 177.343 175.328 -0.413 0.000 1.075 189 H CA 1.508 57.370 56.048 -0.309 0.000 1.348 189 H CB -0.001 29.600 29.762 -0.268 0.000 1.393 189 H HN 0.230 nan 8.280 nan 0.000 0.509 190 I N 0.787 121.049 120.570 -0.513 0.000 2.163 190 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 190 I C 2.616 178.506 176.117 -0.378 0.000 1.085 190 I CA 0.919 61.728 61.300 -0.820 0.000 1.347 190 I CB -0.204 37.274 38.000 -0.870 0.000 1.044 190 I HN 0.203 nan 8.210 nan 0.000 0.408 191 L N 0.230 121.273 121.223 -0.299 0.000 2.046 191 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 191 L C 2.285 179.134 176.870 -0.035 0.000 1.077 191 L CA 1.211 55.955 54.840 -0.160 0.000 0.747 191 L CB -0.831 41.054 42.059 -0.289 0.000 0.896 191 L HN 0.316 nan 8.230 nan 0.000 0.432 192 N N 0.229 118.878 118.700 -0.085 0.000 2.120 192 N HA -0.236 4.503 4.740 -0.000 0.000 0.188 192 N C 1.774 177.300 175.510 0.026 0.000 1.024 192 N CA 1.310 54.334 53.050 -0.044 0.000 0.852 192 N CB -0.186 38.230 38.487 -0.119 0.000 1.003 192 N HN 0.377 nan 8.380 nan 0.000 0.424 193 E N 0.409 120.623 120.200 0.024 0.000 2.409 193 E HA -0.091 4.259 4.350 -0.000 0.000 0.198 193 E C 0.659 177.461 176.600 0.337 0.000 1.024 193 E CA 0.735 57.275 56.400 0.234 0.000 0.861 193 E CB 0.246 30.228 29.700 0.470 0.000 0.788 193 E HN 0.215 nan 8.360 nan 0.000 0.521 194 E N -0.380 119.983 120.200 0.272 0.000 2.476 194 E HA 0.017 4.367 4.350 -0.000 0.000 0.199 194 E C -0.429 176.333 176.600 0.270 0.000 1.021 194 E CA 0.089 56.621 56.400 0.220 0.000 0.907 194 E CB 0.152 29.944 29.700 0.153 0.000 0.974 194 E HN 0.399 nan 8.360 nan 0.000 0.489 195 H N -0.018 119.080 119.070 0.047 0.000 2.770 195 H HA -0.160 4.396 4.556 -0.000 0.000 0.309 195 H C -0.216 175.139 175.328 0.044 0.000 1.206 195 H CA 0.235 56.307 56.048 0.040 0.000 1.147 195 H CB -1.851 27.931 29.762 0.033 0.000 1.422 195 H HN 0.149 nan 8.280 nan 0.000 0.420 196 I N 0.990 121.652 120.570 0.153 0.000 2.339 196 I HA 0.400 4.570 4.170 -0.000 0.000 0.290 196 I C 1.001 177.203 176.117 0.142 0.000 0.994 196 I CA -0.432 60.936 61.300 0.114 0.000 1.191 196 I CB 1.472 39.519 38.000 0.079 0.000 1.343 196 I HN 0.276 nan 8.210 nan 0.000 0.458 197 A N 7.388 130.264 122.820 0.094 0.000 2.531 197 A HA 0.232 4.552 4.320 -0.000 0.000 0.236 197 A C -0.115 177.543 177.584 0.124 0.000 1.062 197 A CA 0.488 52.560 52.037 0.059 0.000 0.760 197 A CB -0.103 18.905 19.000 0.013 0.000 0.995 197 A HN 0.906 nan 8.150 nan 0.000 0.501 198 H N 0.223 119.276 119.070 -0.028 0.000 3.112 198 H HA 0.450 5.006 4.556 -0.000 0.000 0.347 198 H C -1.556 173.753 175.328 -0.031 0.000 1.188 198 H CA -0.787 55.243 56.048 -0.030 0.000 1.240 198 H CB 0.595 30.335 29.762 -0.038 0.000 1.920 198 H HN 0.643 nan 8.280 nan 0.000 0.535 199 E N 3.442 123.671 120.200 0.047 0.000 2.197 199 E HA 0.193 4.542 4.350 -0.000 0.000 0.281 199 E C -1.937 174.704 176.600 0.069 0.000 0.995 199 E CA -2.031 54.371 56.400 0.002 0.000 0.808 199 E CB 2.028 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 0.879 178.203 177.300 0.040 0.000 1.148 200 P CA 1.403 64.539 63.100 0.060 0.000 0.834 200 P CB 0.214 31.928 31.700 0.023 0.000 0.783 201 R N -0.801 119.713 120.500 0.024 0.000 2.090 201 R HA 0.020 4.360 4.340 -0.000 0.000 0.228 201 R C 2.329 178.639 176.300 0.017 0.000 1.110 201 R CA 1.252 57.361 56.100 0.015 0.000 0.973 201 R CB -0.977 29.327 30.300 0.007 0.000 0.869 201 R HN 0.147 nan 8.270 nan 0.000 0.440 202 A N 1.561 124.396 122.820 0.026 0.000 1.883 202 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 202 A C 2.155 179.746 177.584 0.011 0.000 1.186 202 A CA 1.272 53.322 52.037 0.022 0.000 0.624 202 A CB -0.596 18.426 19.000 0.037 0.000 0.822 202 A HN 0.181 nan 8.150 nan 0.000 0.444 203 L N -1.443 119.788 121.223 0.015 0.000 2.141 203 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 203 L C 2.788 179.650 176.870 -0.013 0.000 1.094 203 L CA 1.511 56.340 54.840 -0.018 0.000 0.763 203 L CB -0.517 41.517 42.059 -0.041 0.000 0.908 203 L HN 0.422 nan 8.230 nan 0.000 0.437 204 Q N 0.589 120.389 119.800 0.000 0.000 2.083 204 Q HA -0.092 4.248 4.340 -0.000 0.000 0.198 204 Q C 2.198 178.197 176.000 -0.002 0.000 0.969 204 Q CA 1.283 57.087 55.803 0.001 0.000 0.838 204 Q CB -0.150 28.591 28.738 0.006 0.000 0.900 204 Q HN 0.454 nan 8.270 nan 0.000 0.436 205 L N -0.215 121.007 121.223 -0.001 0.000 2.450 205 L HA -0.136 4.204 4.340 -0.000 0.000 0.224 205 L C 1.786 178.652 176.870 -0.006 0.000 1.149 205 L CA 0.571 55.409 54.840 -0.003 0.000 0.816 205 L CB -0.289 41.768 42.059 -0.003 0.000 0.932 205 L HN 0.254 nan 8.230 nan 0.000 0.449 206 L N -0.989 120.228 121.223 -0.009 0.000 2.269 206 L HA 0.089 4.428 4.340 -0.000 0.000 0.200 206 L C 2.830 179.692 176.870 -0.013 0.000 1.069 206 L CA 0.706 55.538 54.840 -0.014 0.000 0.804 206 L CB -0.477 41.569 42.059 -0.023 0.000 0.987 206 L HN 0.131 nan 8.230 nan 0.000 0.468 207 A N 0.473 123.285 122.820 -0.014 0.000 1.940 207 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 207 A C 2.288 179.870 177.584 -0.004 0.000 1.176 207 A CA 2.155 54.186 52.037 -0.010 0.000 0.631 207 A CB -0.497 18.498 19.000 -0.007 0.000 0.814 207 A HN 0.304 nan 8.150 nan 0.000 0.446 208 R N -0.006 120.492 120.500 -0.002 0.000 2.062 208 R HA -0.002 4.338 4.340 -0.000 0.000 0.231 208 R C 2.246 178.546 176.300 -0.000 0.000 1.136 208 R CA 1.966 58.066 56.100 0.000 0.000 0.948 208 R CB -0.929 29.371 30.300 0.000 0.000 0.845 208 R HN 0.373 nan 8.270 nan 0.000 0.430 209 A N 1.004 123.823 122.820 -0.002 0.000 1.859 209 A HA -0.025 4.294 4.320 -0.000 0.000 0.218 209 A C 1.308 178.892 177.584 0.000 0.000 1.209 209 A CA 1.567 53.603 52.037 -0.002 0.000 0.639 209 A CB -1.495 17.502 19.000 -0.004 0.000 0.835 209 A HN 0.563 nan 8.150 nan 0.000 0.450 210 A N 0.631 123.451 122.820 -0.002 0.000 2.515 210 A HA 0.344 4.664 4.320 -0.000 0.000 0.263 210 A C -0.085 177.501 177.584 0.004 0.000 1.096 210 A CA -0.111 51.926 52.037 0.001 0.000 0.769 210 A CB -0.355 18.643 19.000 -0.003 0.000 1.040 210 A HN 0.545 nan 8.150 nan 0.000 0.505 211 E N 2.060 122.265 120.200 0.008 0.000 1.932 211 E HA 0.366 4.716 4.350 -0.000 0.000 0.275 211 E C 1.286 177.894 176.600 0.014 0.000 1.159 211 E CA 0.660 57.067 56.400 0.011 0.000 0.905 211 E CB 0.183 29.891 29.700 0.013 0.000 1.059 211 E HN 1.124 nan 8.360 nan 0.000 0.400 212 G N 3.350 112.157 108.800 0.012 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 0.331 175.238 174.900 0.012 0.000 0.975 212 G CA 0.804 45.912 45.100 0.014 0.000 0.648 212 G HN 0.619 nan 8.290 nan 0.000 0.538 213 S N -0.852 114.853 115.700 0.009 0.000 2.500 213 S HA 0.724 5.194 4.470 -0.000 0.000 0.301 213 S C 0.880 175.480 174.600 0.000 0.000 1.092 213 S CA -0.247 57.957 58.200 0.006 0.000 1.030 213 S CB 2.324 65.530 63.200 0.010 0.000 1.031 213 S HN 0.549 nan 8.310 nan 0.000 0.483 214 L N 2.700 123.922 121.223 -0.002 0.000 1.994 214 L HA 0.081 4.421 4.340 -0.000 0.000 0.208 214 L C 2.746 179.615 176.870 -0.002 0.000 1.071 214 L CA 1.624 56.460 54.840 -0.007 0.000 0.745 214 L CB -0.916 41.140 42.059 -0.006 0.000 0.892 214 L HN 0.803 nan 8.230 nan 0.000 0.431 215 R N -0.030 120.472 120.500 0.005 0.000 2.165 215 R HA -0.233 4.107 4.340 -0.000 0.000 0.254 215 R C 1.894 178.198 176.300 0.007 0.000 1.153 215 R CA 2.001 58.107 56.100 0.009 0.000 0.971 215 R CB -1.028 29.278 30.300 0.011 0.000 0.878 215 R HN 0.518 nan 8.270 nan 0.000 0.449 216 D N -0.483 119.920 120.400 0.005 0.000 2.137 216 D HA 0.001 4.641 4.640 -0.000 0.000 0.202 216 D C 1.823 178.121 176.300 -0.003 0.000 0.970 216 D CA 1.222 55.224 54.000 0.004 0.000 0.837 216 D CB -0.271 40.533 40.800 0.006 0.000 0.981 216 D HN 0.179 nan 8.370 nan 0.000 0.475 217 A N 1.292 124.107 122.820 -0.009 0.000 1.892 217 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 217 A C 2.409 179.979 177.584 -0.023 0.000 1.188 217 A CA 1.197 53.223 52.037 -0.019 0.000 0.631 217 A CB -0.953 18.031 19.000 -0.027 0.000 0.822 217 A HN 0.217 nan 8.150 nan 0.000 0.447 218 L N 0.320 121.530 121.223 -0.020 0.000 2.012 218 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 218 L C 2.980 179.846 176.870 -0.006 0.000 1.073 218 L CA 1.830 56.659 54.840 -0.018 0.000 0.748 218 L CB -0.717 41.340 42.059 -0.003 0.000 0.891 218 L HN 0.586 nan 8.230 nan 0.000 0.431 219 S N -0.284 115.417 115.700 0.001 0.000 2.402 219 S HA -0.101 4.368 4.470 -0.000 0.000 0.229 219 S C 1.951 176.552 174.600 0.002 0.000 1.021 219 S CA 0.751 58.954 58.200 0.006 0.000 0.974 219 S CB -0.538 62.667 63.200 0.009 0.000 0.800 219 S HN 0.312 nan 8.310 nan 0.000 0.484 220 L N 1.351 122.572 121.223 -0.003 0.000 2.093 220 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 220 L C 2.751 179.616 176.870 -0.008 0.000 1.085 220 L CA 1.461 56.298 54.840 -0.005 0.000 0.755 220 L CB -0.911 41.144 42.059 -0.007 0.000 0.904 220 L HN 0.366 nan 8.230 nan 0.000 0.435 221 T N -1.633 112.911 114.554 -0.016 0.000 2.904 221 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 221 T C 1.448 176.143 174.700 -0.009 0.000 1.059 221 T CA 1.011 63.098 62.100 -0.021 0.000 1.137 221 T CB -0.182 68.661 68.868 -0.042 0.000 0.879 221 T HN 0.289 nan 8.240 nan 0.000 0.467 222 D N 1.333 121.731 120.400 -0.003 0.000 2.144 222 D HA -0.072 4.567 4.640 -0.000 0.000 0.199 222 D C 2.324 178.629 176.300 0.009 0.000 0.984 222 D CA 1.022 55.026 54.000 0.008 0.000 0.834 222 D CB -0.022 40.786 40.800 0.013 0.000 0.955 222 D HN 0.507 nan 8.370 nan 0.000 0.465 223 Q N 0.259 120.062 119.800 0.006 0.000 2.083 223 Q HA -0.007 4.332 4.340 -0.000 0.000 0.198 223 Q C 2.280 178.283 176.000 0.005 0.000 0.969 223 Q CA 0.978 56.785 55.803 0.006 0.000 0.838 223 Q CB -0.033 28.707 28.738 0.004 0.000 0.900 223 Q HN 0.152 nan 8.270 nan 0.000 0.436 224 A N 1.205 124.026 122.820 0.002 0.000 1.908 224 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 224 A C 2.050 179.638 177.584 0.006 0.000 1.181 224 A CA 1.220 53.259 52.037 0.002 0.000 0.627 224 A CB -0.688 18.311 19.000 -0.001 0.000 0.818 224 A HN 0.288 nan 8.150 nan 0.000 0.445 225 I N -0.322 120.253 120.570 0.008 0.000 2.113 225 I HA -0.304 3.866 4.170 -0.000 0.000 0.238 225 I C 2.978 179.103 176.117 0.013 0.000 1.070 225 I CA 1.223 62.531 61.300 0.013 0.000 1.332 225 I CB -0.392 37.618 38.000 0.016 0.000 1.044 225 I HN 0.353 nan 8.210 nan 0.000 0.402 226 A N 0.395 123.222 122.820 0.013 0.000 2.032 226 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 226 A C 2.384 179.974 177.584 0.010 0.000 1.165 226 A CA 2.361 54.405 52.037 0.012 0.000 0.645 226 A CB -0.690 18.317 19.000 0.012 0.000 0.807 226 A HN 0.585 nan 8.150 nan 0.000 0.453 227 S N -1.895 113.810 115.700 0.008 0.000 2.470 227 S HA 0.229 4.699 4.470 -0.000 0.000 0.222 227 S C 1.664 176.268 174.600 0.006 0.000 1.024 227 S CA 0.721 58.925 58.200 0.006 0.000 0.931 227 S CB -0.296 62.907 63.200 0.004 0.000 0.791 227 S HN 0.609 nan 8.310 nan 0.000 0.513 228 G N 0.814 109.618 108.800 0.008 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 -0.042 174.864 174.900 0.010 0.000 1.170 228 G CA 0.019 45.124 45.100 0.009 0.000 0.769 228 G HN 0.413 nan 8.290 nan 0.000 0.546 229 D N -0.256 120.151 120.400 0.011 0.000 3.003 229 D HA -0.109 4.531 4.640 -0.000 0.000 0.223 229 D C 1.510 177.818 176.300 0.015 0.000 1.204 229 D CA 1.694 55.701 54.000 0.012 0.000 0.828 229 D CB -1.194 39.612 40.800 0.009 0.000 0.918 229 D HN 0.853 nan 8.370 nan 0.000 0.401 230 G N 1.650 110.461 108.800 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 0.307 175.224 174.900 0.028 0.000 1.127 230 G CA 0.377 45.491 45.100 0.024 0.000 0.681 230 G HN 0.611 nan 8.290 nan 0.000 0.517 231 Q N -0.218 119.597 119.800 0.024 0.000 2.193 231 Q HA 0.680 5.020 4.340 -0.000 0.000 0.246 231 Q C -0.528 175.490 176.000 0.030 0.000 0.959 231 Q CA -0.646 55.174 55.803 0.029 0.000 0.904 231 Q CB 2.739 31.489 28.738 0.020 0.000 1.238 231 Q HN 0.253 nan 8.270 nan 0.000 0.469 232 V N 1.871 121.811 119.914 0.044 0.000 2.276 232 V HA 0.248 4.368 4.120 -0.000 0.000 0.268 232 V C -0.544 175.577 176.094 0.045 0.000 1.032 232 V CA -0.468 61.857 62.300 0.042 0.000 0.810 232 V CB 0.572 32.424 31.823 0.048 0.000 1.060 232 V HN 0.795 nan 8.190 nan 0.000 0.446 233 S N 1.898 117.612 115.700 0.025 0.000 2.593 233 S HA 0.347 4.817 4.470 -0.000 0.000 0.297 233 S C 1.120 175.727 174.600 0.012 0.000 1.112 233 S CA -0.150 58.060 58.200 0.016 0.000 1.043 233 S CB 1.791 64.996 63.200 0.008 0.000 1.054 233 S HN 0.483 nan 8.310 nan 0.000 0.516 234 T N 2.510 117.069 114.554 0.008 0.000 2.803 234 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 234 T C 1.750 176.450 174.700 -0.000 0.000 1.052 234 T CA 2.005 64.107 62.100 0.004 0.000 1.136 234 T CB -0.390 68.479 68.868 0.002 0.000 0.864 234 T HN 0.752 nan 8.240 nan 0.000 0.467 235 Q N 0.810 120.609 119.800 -0.001 0.000 2.046 235 Q HA 0.072 4.412 4.340 -0.000 0.000 0.200 235 Q C 2.790 178.789 176.000 -0.002 0.000 0.975 235 Q CA 1.373 57.175 55.803 -0.003 0.000 0.836 235 Q CB -0.331 28.405 28.738 -0.003 0.000 0.896 235 Q HN 0.551 nan 8.270 nan 0.000 0.428 236 A N 0.505 123.325 122.820 0.000 0.000 1.969 236 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 236 A C 2.291 179.875 177.584 -0.000 0.000 1.169 236 A CA 1.115 53.152 52.037 0.001 0.000 0.635 236 A CB -0.460 18.543 19.000 0.004 0.000 0.810 236 A HN 0.208 nan 8.150 nan 0.000 0.445 237 V N 0.729 120.644 119.914 0.000 0.000 2.719 237 V HA -0.130 3.990 4.120 -0.000 0.000 0.252 237 V C 2.559 178.650 176.094 -0.005 0.000 1.065 237 V CA 1.971 64.271 62.300 -0.001 0.000 1.086 237 V CB -0.395 31.428 31.823 0.001 0.000 0.700 237 V HN 0.765 nan 8.190 nan 0.000 0.467 238 S N 0.173 115.870 115.700 -0.006 0.000 2.593 238 S HA 0.234 4.704 4.470 -0.000 0.000 0.217 238 S C 1.737 176.330 174.600 -0.012 0.000 0.966 238 S CA 0.587 58.781 58.200 -0.010 0.000 0.914 238 S CB 0.252 63.445 63.200 -0.011 0.000 0.776 238 S HN 0.463 nan 8.310 nan 0.000 0.523 239 A N 2.144 124.958 122.820 -0.009 0.000 2.021 239 A HA 0.272 4.592 4.320 -0.000 0.000 0.216 239 A C 2.127 179.705 177.584 -0.009 0.000 1.163 239 A CA 1.092 53.124 52.037 -0.009 0.000 0.676 239 A CB -0.462 18.534 19.000 -0.006 0.000 0.818 239 A HN 0.726 nan 8.150 nan 0.000 0.453 240 M N -1.910 117.685 119.600 -0.008 0.000 2.838 240 M HA 0.403 4.883 4.480 -0.000 0.000 0.251 240 M C 0.460 176.754 176.300 -0.009 0.000 1.393 240 M CA 0.222 55.518 55.300 -0.008 0.000 1.196 240 M CB -0.199 32.399 32.600 -0.004 0.000 1.276 240 M HN 0.032 nan 8.290 nan 0.000 0.541 244 L N 0.399 121.605 121.223 -0.028 0.000 2.515 244 L HA 0.164 4.504 4.340 -0.000 0.000 0.223 244 L C 1.569 178.426 176.870 -0.021 0.000 1.079 244 L CA 0.322 55.147 54.840 -0.025 0.000 0.857 244 L CB -0.020 42.029 42.059 -0.017 0.000 1.050 244 L HN 0.604 nan 8.230 nan 0.000 0.476 245 D N 0.696 121.085 120.400 -0.019 0.000 2.117 245 D HA -0.167 4.472 4.640 -0.000 0.000 0.198 245 D C 1.346 177.636 176.300 -0.017 0.000 0.982 245 D CA 1.202 55.194 54.000 -0.014 0.000 0.828 245 D CB -0.059 40.734 40.800 -0.012 0.000 0.967 245 D HN 0.230 nan 8.370 nan 0.000 0.464 246 D N 1.084 121.470 120.400 -0.024 0.000 2.351 246 D HA -0.078 4.561 4.640 -0.000 0.000 0.216 246 D C -0.142 176.139 176.300 -0.032 0.000 0.968 246 D CA 0.653 54.636 54.000 -0.028 0.000 0.899 246 D CB -0.241 40.536 40.800 -0.039 0.000 0.907 246 D HN 0.195 nan 8.370 nan 0.000 0.514 247 D N 1.465 121.845 120.400 -0.032 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 -0.012 0.000 1.224 247 D CA -0.048 53.933 54.000 -0.031 0.000 0.879 247 D CB 0.929 41.708 40.800 -0.034 0.000 1.057 247 D HN -0.038 nan 8.370 nan 0.000 0.491 248 Q N 1.523 121.320 119.800 -0.004 0.000 2.466 248 Q HA 0.030 4.370 4.340 -0.000 0.000 0.210 248 Q C 1.676 177.685 176.000 0.015 0.000 0.961 248 Q CA -0.066 55.743 55.803 0.010 0.000 0.953 248 Q CB 0.041 28.792 28.738 0.023 0.000 1.011 248 Q HN 0.539 nan 8.270 nan 0.000 0.516 249 A N 0.737 123.564 122.820 0.011 0.000 2.067 249 A HA -0.216 4.104 4.320 -0.000 0.000 0.224 249 A C 1.927 179.524 177.584 0.021 0.000 1.172 249 A CA 1.680 53.728 52.037 0.018 0.000 0.662 249 A CB -0.244 18.764 19.000 0.013 0.000 0.814 249 A HN 0.382 nan 8.150 nan 0.000 0.468 250 L N -1.275 119.957 121.223 0.015 0.000 2.577 250 L HA 0.136 4.476 4.340 -0.000 0.000 0.225 250 L C 2.254 179.129 176.870 0.008 0.000 1.053 250 L CA 1.594 56.442 54.840 0.014 0.000 0.866 250 L CB 0.068 42.135 42.059 0.012 0.000 1.132 250 L HN 0.292 nan 8.230 nan 0.000 0.486 251 S N -1.004 114.701 115.700 0.009 0.000 2.561 251 S HA -0.019 4.451 4.470 -0.000 0.000 0.225 251 S C 1.744 176.350 174.600 0.009 0.000 0.977 251 S CA 0.638 58.842 58.200 0.007 0.000 0.926 251 S CB -0.333 62.872 63.200 0.008 0.000 0.769 251 S HN 0.427 nan 8.310 nan 0.000 0.533 252 L N 0.851 122.082 121.223 0.014 0.000 2.168 252 L HA 0.108 4.447 4.340 -0.000 0.000 0.203 252 L C 2.209 179.080 176.870 0.001 0.000 1.078 252 L CA 0.571 55.423 54.840 0.020 0.000 0.780 252 L CB -0.081 42.001 42.059 0.039 0.000 0.939 252 L HN 0.186 nan 8.230 nan 0.000 0.451 253 V N -0.095 119.814 119.914 -0.008 0.000 2.358 253 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 253 V C 2.291 178.346 176.094 -0.064 0.000 1.047 253 V CA 1.649 63.924 62.300 -0.043 0.000 1.035 253 V CB -0.435 31.375 31.823 -0.022 0.000 0.658 253 V HN 0.440 nan 8.190 nan 0.000 0.452 254 E N 0.598 120.780 120.200 -0.030 0.000 2.023 254 E HA -0.243 4.106 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 1.460 57.846 56.400 -0.024 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 1.606 124.421 122.820 -0.010 0.000 1.986 255 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 255 A C 2.107 179.693 177.584 0.002 0.000 1.171 255 A CA 1.689 53.727 52.037 0.001 0.000 0.640 255 A CB -0.575 18.431 19.000 0.009 0.000 0.811 255 A HN 0.292 nan 8.150 nan 0.000 0.451 256 M N -0.098 119.487 119.600 -0.026 0.000 2.062 256 M HA -0.118 4.362 4.480 -0.000 0.000 0.259 256 M C 1.852 178.131 176.300 -0.035 0.000 1.076 256 M CA 2.397 57.670 55.300 -0.046 0.000 1.122 256 M CB -0.356 32.167 32.600 -0.129 0.000 1.312 256 M HN 0.199 nan 8.290 nan 0.000 0.412 257 V N 0.975 120.774 119.914 -0.193 0.000 2.867 257 V HA -0.207 3.913 4.120 -0.000 0.000 0.260 257 V C 1.718 177.913 176.094 0.168 0.000 1.099 257 V CA 1.724 63.929 62.300 -0.157 0.000 1.122 257 V CB -1.172 30.478 31.823 -0.288 0.000 0.708 257 V HN 0.548 nan 8.190 nan 0.000 0.490 258 E N 0.105 120.351 120.200 0.077 0.000 2.442 258 E HA 0.306 4.656 4.350 -0.000 0.000 0.195 258 E C 1.572 178.168 176.600 -0.005 0.000 1.030 258 E CA 0.592 57.016 56.400 0.040 0.000 0.869 258 E CB 0.032 29.740 29.700 0.012 0.000 0.857 258 E HN 0.516 nan 8.360 nan 0.000 0.505 259 A N 1.529 124.359 122.820 0.017 0.000 3.172 259 A HA -0.178 4.142 4.320 -0.000 0.000 0.263 259 A C 0.017 177.575 177.584 -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 -0.335 0.000 1.148 259 A HN 0.281 nan 8.150 nan 0.000 0.904 260 N N 0.635 119.325 118.700 -0.016 0.000 3.229 260 N HA 0.363 5.102 4.740 -0.000 0.000 0.275 260 N C 1.446 176.957 175.510 0.002 0.000 1.225 260 N CA 0.705 53.749 53.050 -0.011 0.000 1.119 260 N CB 0.385 38.867 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 0.004 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 1.231 46.338 45.100 0.012 0.000 0.748 261 G HN 0.493 nan 8.290 nan 0.000 0.585 262 E N 0.724 120.927 120.200 0.005 0.000 2.048 262 E HA -0.231 4.119 4.350 -0.000 0.000 0.202 262 E C 2.411 179.017 176.600 0.012 0.000 1.021 262 E CA 1.892 58.295 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 -0.328 120.179 120.500 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 57.606 56.100 0.015 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 1.159 121.087 119.914 0.023 0.000 2.380 264 V HA -0.327 3.792 4.120 -0.000 0.000 0.251 264 V C 2.396 178.515 176.094 0.041 0.000 1.063 264 V CA 1.675 63.995 62.300 0.032 0.000 1.055 264 V CB -0.385 31.456 31.823 0.032 0.000 0.657 264 V HN 0.375 nan 8.190 nan 0.000 0.455 265 M N -0.395 119.225 119.600 0.033 0.000 2.248 265 M HA 0.081 4.561 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 1.816 57.138 55.300 0.036 0.000 1.150 265 M CB -1.580 31.033 32.600 0.022 0.000 1.366 265 M HN 0.368 nan 8.290 nan 0.000 0.433 266 A N 0.932 123.774 122.820 0.036 0.000 1.940 266 A HA -0.140 4.179 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 1.409 53.468 52.037 0.036 0.000 0.631 266 A CB -0.976 18.039 19.000 0.025 0.000 0.814 266 A HN 0.471 nan 8.150 nan 0.000 0.446 267 L N -0.687 120.565 121.223 0.049 0.000 1.994 267 L HA -0.177 4.162 4.340 -0.000 0.000 0.208 267 L C 2.523 179.446 176.870 0.089 0.000 1.071 267 L CA 1.437 56.310 54.840 0.055 0.000 0.745 267 L CB -0.671 41.418 42.059 0.050 0.000 0.892 267 L HN 0.348 nan 8.230 nan 0.000 0.431 268 I N 0.321 120.965 120.570 0.123 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 1.304 62.738 61.300 0.223 0.000 1.382 268 I CB -0.450 37.661 38.000 0.184 0.000 1.060 268 I HN 0.415 nan 8.210 nan 0.000 0.418 269 N N 1.125 119.911 118.700 0.144 0.000 2.171 269 N HA -0.220 4.519 4.740 -0.000 0.000 0.184 269 N C 1.745 177.317 175.510 0.105 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 0.075 0.000 0.994 269 N HN 0.352 nan 8.380 nan 0.000 0.426 270 E N -0.135 120.110 120.200 0.075 0.000 2.038 270 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 270 E C 1.797 178.412 176.600 0.026 0.000 1.000 270 E CA 1.330 57.756 56.400 0.042 0.000 0.803 270 E CB -0.227 29.491 29.700 0.030 0.000 0.750 270 E HN 0.428 nan 8.360 nan 0.000 0.448 271 A N 1.127 123.965 122.820 0.030 0.000 1.908 271 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 271 A C 2.395 179.914 177.584 -0.108 0.000 1.181 271 A CA 2.050 54.053 52.037 -0.058 0.000 0.627 271 A CB -0.894 18.064 19.000 -0.069 0.000 0.818 271 A HN 0.429 nan 8.150 nan 0.000 0.445 272 A N -0.131 122.726 122.820 0.061 0.000 1.908 272 A HA 0.122 4.442 4.320 -0.000 0.000 0.218 272 A C 2.475 180.094 177.584 0.059 0.000 1.181 272 A CA 2.143 54.274 52.037 0.156 0.000 0.627 272 A CB -1.058 18.175 19.000 0.389 0.000 0.818 272 A HN 1.199 nan 8.150 nan 0.000 0.445 273 A N -0.566 122.282 122.820 0.047 0.000 2.076 273 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 273 A C 2.086 179.665 177.584 -0.008 0.000 1.160 273 A CA 1.596 53.648 52.037 0.025 0.000 0.653 273 A CB -0.354 18.660 19.000 0.024 0.000 0.801 273 A HN 0.549 nan 8.150 nan 0.000 0.455 274 R N -1.480 118.994 120.500 -0.042 0.000 2.317 274 R HA 0.283 4.623 4.340 -0.000 0.000 0.208 274 R C 1.013 177.257 176.300 -0.094 0.000 0.914 274 R CA 0.565 56.626 56.100 -0.065 0.000 1.060 274 R CB 0.095 30.350 30.300 -0.075 0.000 1.015 274 R HN 0.608 nan 8.270 nan 0.000 0.498 275 G N 1.833 110.567 108.800 -0.111 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 0.092 174.855 174.900 -0.229 0.000 1.089 275 G CA -0.270 44.754 45.100 -0.128 0.000 0.939 275 G HN 0.202 nan 8.290 nan 0.000 0.499 276 I N -0.461 119.853 120.570 -0.427 0.000 2.882 276 I HA 0.141 4.311 4.170 -0.000 0.000 0.286 276 I C 0.930 176.717 176.117 -0.549 0.000 1.139 276 I CA 0.133 61.112 61.300 -0.535 0.000 1.379 276 I CB 0.558 38.085 38.000 -0.789 0.000 1.410 276 I HN 0.214 nan 8.210 nan 0.000 0.594 277 E N 3.806 123.801 120.200 -0.342 0.000 1.998 277 E HA 0.044 4.394 4.350 -0.000 0.000 0.257 277 E C -0.011 176.516 176.600 -0.123 0.000 1.038 277 E CA -0.160 56.134 56.400 -0.176 0.000 0.869 277 E CB 0.356 30.006 29.700 -0.083 0.000 1.135 277 E HN 0.521 nan 8.360 nan 0.000 0.430 278 W N 1.816 123.112 121.300 -0.007 0.000 2.255 278 W HA -0.320 4.340 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 1.509 58.850 57.345 -0.006 0.000 1.286 278 W CB -0.067 29.389 29.460 -0.007 0.000 1.132 278 W HN 0.567 nan 8.180 nan 0.000 0.504 279 E N 0.051 120.365 120.200 0.190 0.000 2.152 279 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 279 E C 2.259 178.897 176.600 0.063 0.000 0.983 279 E CA 1.128 57.592 56.400 0.106 0.000 0.818 279 E CB -0.262 29.476 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 0.010 0.000 0.623 280 A CB -0.666 18.322 19.000 -0.020 0.000 0.818 280 A HN 0.402 nan 8.150 nan 0.000 0.443 281 L N -0.392 120.843 121.223 0.019 0.000 2.079 281 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 281 L C 2.104 179.013 176.870 0.065 0.000 1.081 281 L CA 1.640 56.501 54.840 0.034 0.000 0.752 281 L CB -0.482 41.606 42.059 0.049 0.000 0.896 281 L HN 0.392 nan 8.230 nan 0.000 0.433 282 L N -1.923 119.349 121.223 0.081 0.000 2.291 282 L HA -0.108 4.232 4.340 -0.000 0.000 0.214 282 L C 2.192 179.085 176.870 0.038 0.000 1.120 282 L CA 0.241 55.118 54.840 0.062 0.000 0.799 282 L CB -0.127 41.968 42.059 0.060 0.000 0.925 282 L HN 0.130 nan 8.230 nan 0.000 0.446 283 V N -0.615 119.321 119.914 0.037 0.000 2.407 283 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 283 V C 2.242 178.363 176.094 0.046 0.000 1.041 283 V CA 1.378 63.698 62.300 0.033 0.000 1.040 283 V CB -0.230 31.608 31.823 0.025 0.000 0.671 283 V HN 0.405 nan 8.190 nan 0.000 0.455 284 E N -0.221 120.003 120.200 0.040 0.000 2.118 284 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 284 E C 2.228 178.862 176.600 0.058 0.000 0.992 284 E CA 1.482 57.907 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 0.538 nan 8.360 nan 0.000 0.458 285 M N 0.143 119.779 119.600 0.059 0.000 2.156 285 M HA -0.102 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 1.085 56.427 55.300 0.070 0.000 1.131 285 M CB -0.122 32.513 32.600 0.059 0.000 1.368 285 M HN 0.127 nan 8.290 nan 0.000 0.416 286 L N -0.543 120.737 121.223 0.095 0.000 2.217 286 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 286 L C 2.435 179.463 176.870 0.263 0.000 1.107 286 L CA 0.867 55.796 54.840 0.149 0.000 0.783 286 L CB -0.731 41.339 42.059 0.017 0.000 0.919 286 L HN 0.384 nan 8.230 nan 0.000 0.442 287 G N -0.848 108.054 108.800 0.170 0.000 2.683 287 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.213 287 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.213 287 G C 1.540 176.537 174.900 0.162 0.000 1.142 287 G CA -0.029 45.172 45.100 0.168 0.000 0.793 287 G HN 0.167 nan 8.290 nan 0.000 0.534 288 L N -0.435 120.871 121.223 0.138 0.000 2.130 288 L HA 0.240 4.579 4.340 -0.000 0.000 0.200 288 L C 2.684 179.624 176.870 0.116 0.000 1.075 288 L CA 0.229 55.129 54.840 0.101 0.000 0.768 288 L CB -0.384 41.718 42.059 0.072 0.000 0.933 288 L HN 0.094 nan 8.230 nan 0.000 0.451 289 L N -0.317 121.005 121.223 0.165 0.000 2.129 289 L HA -0.296 4.043 4.340 -0.000 0.000 0.212 289 L C 2.659 179.614 176.870 0.142 0.000 1.087 289 L CA 1.217 56.166 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 0.377 nan 8.230 nan 0.000 0.434 290 H N -0.295 118.811 119.070 0.060 0.000 2.389 290 H HA -0.163 4.393 4.556 -0.000 0.000 0.299 290 H C 2.364 177.660 175.328 -0.053 0.000 1.081 290 H CA 1.679 57.673 56.048 -0.089 0.000 1.345 290 H CB 0.121 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 -0.266 120.186 120.500 -0.081 0.000 2.115 291 R HA 0.014 4.354 4.340 -0.000 0.000 0.226 291 R C 2.073 178.311 176.300 -0.103 0.000 1.100 291 R CA 1.272 57.299 56.100 -0.122 0.000 0.980 291 R CB -0.088 30.200 30.300 -0.020 0.000 0.875 291 R HN 0.385 nan 8.270 nan 0.000 0.445 292 I N 0.301 120.841 120.570 -0.050 0.000 2.546 292 I HA -0.147 4.023 4.170 -0.000 0.000 0.255 292 I C 2.263 178.347 176.117 -0.056 0.000 1.163 292 I CA 0.891 62.173 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 0.575 123.333 122.820 -0.103 0.000 1.968 293 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 293 A C 2.336 179.830 177.584 -0.151 0.000 1.169 293 A CA 1.204 53.166 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 -0.757 118.722 119.600 -0.202 0.000 2.288 294 M HA -0.041 4.439 4.480 -0.000 0.000 0.266 294 M C 1.708 177.950 176.300 -0.096 0.000 1.072 294 M CA 0.859 56.058 55.300 -0.170 0.000 1.132 294 M CB -0.118 32.354 32.600 -0.213 0.000 1.386 294 M HN 0.191 nan 8.290 nan 0.000 0.432 295 V N 0.505 120.374 119.914 -0.075 0.000 3.141 295 V HA -0.184 3.936 4.120 -0.000 0.000 0.265 295 V C 1.857 177.930 176.094 -0.035 0.000 1.126 295 V CA 1.305 63.577 62.300 -0.045 0.000 1.141 295 V CB -0.878 30.926 31.823 -0.032 0.000 0.743 295 V HN 0.542 nan 8.190 nan 0.000 0.492 296 Q N -0.895 118.880 119.800 -0.041 0.000 2.424 296 Q HA 0.070 4.410 4.340 -0.000 0.000 0.204 296 Q C 1.835 177.818 176.000 -0.029 0.000 0.933 296 Q CA 0.543 56.328 55.803 -0.029 0.000 0.929 296 Q CB 0.241 28.964 28.738 -0.025 0.000 1.037 296 Q HN 0.511 nan 8.270 nan 0.000 0.511 297 L N -0.541 120.659 121.223 -0.038 0.000 2.575 297 L HA 0.192 4.532 4.340 -0.000 0.000 0.228 297 L C -0.143 176.710 176.870 -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 43.135 42.059 -0.041 0.000 1.097 297 L HN -0.009 nan 8.230 nan 0.000 0.485 298 S N -1.473 114.208 115.700 -0.032 0.000 2.652 298 S HA 0.455 4.925 4.470 -0.000 0.000 0.273 298 S C -2.375 172.210 174.600 -0.025 0.000 1.172 298 S CA -0.691 57.494 58.200 -0.026 0.000 1.009 298 S CB 1.308 64.492 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 1.022 178.314 177.300 -0.015 0.000 1.167 299 P CA 0.651 63.741 63.100 -0.016 0.000 0.763 299 P CB -0.133 31.560 31.700 -0.011 0.000 0.835 300 A N 0.120 122.931 122.820 -0.015 0.000 2.265 300 A HA 0.352 4.672 4.320 -0.000 0.000 0.213 300 A C 1.891 179.466 177.584 -0.016 0.000 1.255 300 A CA 0.533 52.562 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 0.205 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 0.460 4.780 4.320 -0.000 0.000 0.219 301 A C 0.483 178.057 177.584 -0.018 0.000 1.243 301 A CA 0.009 52.031 52.037 -0.025 0.000 0.856 301 A CB -0.254 18.721 19.000 -0.042 0.000 0.893 301 A HN 0.407 nan 8.150 nan 0.000 0.491 302 L N 1.097 122.314 121.223 -0.011 0.000 2.277 302 L HA 0.383 4.723 4.340 -0.000 0.000 0.284 302 L C 1.172 178.041 176.870 -0.003 0.000 1.028 302 L CA -0.790 54.046 54.840 -0.006 0.000 0.835 302 L CB 0.972 43.028 42.059 -0.005 0.000 1.215 302 L HN 0.395 nan 8.230 nan 0.000 0.425 303 G N 2.195 110.995 108.800 -0.000 0.000 2.846 303 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.257 303 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.257 303 G C 1.003 175.905 174.900 0.004 0.000 1.253 303 G CA 0.078 45.180 45.100 0.003 0.000 0.918 303 G HN 0.877 nan 8.290 nan 0.000 0.597 304 N N -1.211 117.492 118.700 0.006 0.000 2.459 304 N HA -0.060 4.680 4.740 -0.000 0.000 0.181 304 N C 0.740 176.254 175.510 0.006 0.000 1.046 304 N CA 1.547 54.600 53.050 0.006 0.000 0.904 304 N CB 0.403 38.894 38.487 0.006 0.000 0.964 304 N HN 0.451 nan 8.380 nan 0.000 0.444 305 D N -1.095 119.309 120.400 0.007 0.000 2.712 305 D HA 0.135 4.775 4.640 -0.000 0.000 0.300 305 D C 0.533 176.837 176.300 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 0.007 0.000 1.155 305 D HN 0.009 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 4.614 4.480 -0.000 0.000 0.248 306 M C 2.127 178.430 176.300 0.005 0.000 1.119 306 M CA 0.213 55.517 55.300 0.006 0.000 1.079 306 M CB -0.818 31.785 32.600 0.004 0.000 1.472 306 M HN 0.067 nan 8.290 nan 0.000 0.501 307 A N 1.133 123.956 122.820 0.005 0.000 1.896 307 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 307 A C 2.472 180.058 177.584 0.004 0.000 1.206 307 A CA 2.721 54.761 52.037 0.004 0.000 0.647 307 A CB -1.047 17.956 19.000 0.005 0.000 0.828 307 A HN 0.468 nan 8.150 nan 0.000 0.455 308 A N -0.214 122.609 122.820 0.005 0.000 1.883 308 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 308 A C 2.162 179.748 177.584 0.004 0.000 1.186 308 A CA 1.698 53.738 52.037 0.004 0.000 0.624 308 A CB -0.727 18.276 19.000 0.004 0.000 0.822 308 A HN 0.574 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 -0.281 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 1.571 62.875 61.300 0.005 0.000 1.343 309 I CB -0.956 37.048 38.000 0.007 0.000 1.046 309 I HN 0.439 nan 8.210 nan 0.000 0.405 310 E N 0.506 120.709 120.200 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 2.659 59.061 56.400 0.003 0.000 1.398 310 E CB -0.785 28.917 29.700 0.003 0.000 1.343 310 E HN 0.386 nan 8.360 nan 0.000 0.482 311 L N 0.949 122.174 121.223 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 1.915 56.758 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 -1.514 118.990 120.500 0.005 0.000 2.081 312 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 312 R C 2.179 178.483 176.300 0.007 0.000 1.131 312 R CA 1.685 57.789 56.100 0.006 0.000 0.960 312 R CB -0.382 29.921 30.300 0.006 0.000 0.856 312 R HN 0.354 nan 8.270 nan 0.000 0.436 313 M N 0.148 119.752 119.600 0.007 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 1.405 56.709 55.300 0.007 0.000 1.133 313 M CB -0.594 32.009 32.600 0.005 0.000 1.344 313 M HN 0.006 nan 8.290 nan 0.000 0.414 314 R N 0.425 120.927 120.500 0.004 0.000 2.170 314 R HA -0.171 4.168 4.340 -0.000 0.000 0.242 314 R C 1.938 178.241 176.300 0.006 0.000 1.145 314 R CA 1.214 57.316 56.100 0.003 0.000 0.984 314 R CB -0.644 29.657 30.300 0.002 0.000 0.869 314 R HN 0.415 nan 8.270 nan 0.000 0.455 315 E N 0.634 120.839 120.200 0.008 0.000 2.076 315 E HA -0.017 4.333 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 0.738 57.144 56.400 0.011 0.000 0.807 315 E CB -0.126 29.580 29.700 0.010 0.000 0.761 315 E HN 0.195 nan 8.360 nan 0.000 0.454 316 L N -0.042 121.190 121.223 0.015 0.000 2.046 316 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 316 L C 2.476 179.360 176.870 0.024 0.000 1.077 316 L CA 1.112 55.964 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 1.015 123.844 122.820 0.015 0.000 2.032 317 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 317 A C 2.336 179.926 177.584 0.011 0.000 1.165 317 A CA 2.143 54.185 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 -1.715 118.794 120.500 0.014 0.000 2.191 318 R HA 0.031 4.371 4.340 -0.000 0.000 0.196 318 R C 1.648 177.962 176.300 0.022 0.000 0.991 318 R CA 1.205 57.314 56.100 0.015 0.000 1.075 318 R CB -0.881 29.425 30.300 0.011 0.000 1.040 318 R HN 0.349 nan 8.270 nan 0.000 0.526 319 T N -0.850 113.721 114.554 0.027 0.000 3.129 319 T HA 0.345 4.694 4.350 -0.000 0.000 0.251 319 T C 0.675 175.407 174.700 0.052 0.000 1.117 319 T CA -0.102 62.019 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 0.122 nan 8.240 nan 0.000 0.526 320 I N 1.984 122.588 120.570 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 40.283 38.000 0.107 0.000 1.262 320 I HN -0.156 nan 8.210 nan 0.000 0.443 321 P HA 0.031 nan 4.420 nan 0.000 0.266 321 P C -1.848 175.471 177.300 0.031 0.000 1.195 321 P CA -0.848 62.276 63.100 0.040 0.000 0.768 321 P CB 0.155 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 1.016 178.310 177.300 -0.011 0.000 1.148 322 P CA 1.657 64.758 63.100 0.002 0.000 0.803 322 P CB -0.211 31.484 31.700 -0.008 0.000 0.782 323 T N 0.396 114.938 114.554 -0.020 0.000 2.737 323 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 323 T C 1.324 175.971 174.700 -0.089 0.000 1.038 323 T CA 1.855 63.929 62.100 -0.042 0.000 1.144 323 T CB -0.844 68.002 68.868 -0.037 0.000 0.866 323 T HN 0.139 nan 8.240 nan 0.000 0.434 324 D N 0.879 121.219 120.400 -0.100 0.000 2.144 324 D HA 0.023 4.663 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 0.554 54.402 54.000 -0.253 0.000 0.834 324 D CB -0.382 40.364 40.800 -0.090 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 0.016 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 0.941 62.328 61.300 0.144 0.000 1.374 325 I CB -0.031 38.030 38.000 0.101 0.000 1.057 325 I HN -0.030 nan 8.210 nan 0.000 0.413 326 Q N 0.099 119.911 119.800 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 1.477 57.309 55.803 0.049 0.000 0.844 326 Q CB -0.802 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 -0.035 121.112 121.223 -0.127 0.000 2.012 327 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 327 L C 2.055 178.822 176.870 -0.172 0.000 1.073 327 L CA 1.768 56.475 54.840 -0.222 0.000 0.748 327 L CB -0.630 41.180 42.059 -0.416 0.000 0.891 327 L HN 0.118 nan 8.230 nan 0.000 0.431 328 Y N -2.180 118.141 120.300 0.034 0.000 2.314 328 Y HA -0.207 4.343 4.550 -0.000 0.000 0.293 328 Y C 2.406 178.347 175.900 0.068 0.000 1.129 328 Y CA 1.358 59.474 58.100 0.027 0.000 1.201 328 Y CB -1.230 37.237 38.460 0.012 0.000 0.999 328 Y HN 0.301 nan 8.280 nan 0.000 0.541 329 Y N 1.163 121.540 120.300 0.128 0.000 2.181 329 Y HA -0.274 4.276 4.550 -0.000 0.000 0.288 329 Y C 2.116 178.047 175.900 0.051 0.000 1.146 329 Y CA 1.736 59.890 58.100 0.090 0.000 1.164 329 Y CB -0.356 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 -0.871 118.960 119.800 0.051 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 58.041 55.803 -0.052 0.000 0.836 330 Q CB -0.400 28.340 28.738 0.004 0.000 0.896 330 Q HN 0.354 nan 8.270 nan 0.000 0.428 331 T N 1.228 115.761 114.554 -0.034 0.000 2.759 331 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 331 T C 1.548 176.235 174.700 -0.022 0.000 1.042 331 T CA 0.847 62.939 62.100 -0.014 0.000 1.140 331 T CB -0.037 68.865 68.868 0.057 0.000 0.864 331 T HN 0.099 nan 8.240 nan 0.000 0.455 332 L N 0.652 121.853 121.223 -0.036 0.000 2.240 332 L HA 0.114 4.454 4.340 -0.000 0.000 0.211 332 L C 2.292 179.087 176.870 -0.124 0.000 1.106 332 L CA 0.851 55.659 54.840 -0.053 0.000 0.793 332 L CB -1.263 40.776 42.059 -0.033 0.000 0.927 332 L HN 0.284 nan 8.230 nan 0.000 0.446 333 L N 0.307 121.390 121.223 -0.233 0.000 2.005 333 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 333 L C 2.490 179.283 176.870 -0.128 0.000 1.072 333 L CA 1.819 56.500 54.840 -0.265 0.000 0.744 333 L CB -0.615 41.211 42.059 -0.389 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 -0.240 3.930 4.170 -0.000 0.000 0.243 334 I C 2.484 178.585 176.117 -0.027 0.000 1.085 334 I CA 1.357 62.625 61.300 -0.054 0.000 1.347 334 I CB -0.954 37.013 38.000 -0.055 0.000 1.044 334 I HN 0.360 nan 8.210 nan 0.000 0.408 335 G N 0.370 109.155 108.800 -0.025 0.000 2.498 335 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 335 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 335 G C 1.794 176.695 174.900 0.002 0.000 1.119 335 G CA 0.369 45.466 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 2.331 178.638 176.300 0.012 0.000 1.114 336 R CA 1.055 57.154 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 0.253 nan 8.270 nan 0.000 0.437 337 K N 0.400 120.810 120.400 0.017 0.000 2.097 337 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 337 K C 1.892 178.567 176.600 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 0.331 nan 8.250 nan 0.000 0.442 338 E N 0.925 121.185 120.200 0.101 0.000 2.274 338 E HA -0.154 4.196 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 0.250 56.739 56.400 0.147 0.000 0.840 338 E CB -0.068 29.672 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 2.357 57.203 54.840 0.011 0.000 0.784 339 L CB -1.058 41.005 42.059 0.006 0.000 0.896 339 L HN 0.111 nan 8.230 nan 0.000 0.438 340 P HA -0.196 nan 4.420 nan 0.000 0.228 340 P C 0.912 178.044 177.300 -0.280 0.000 1.151 340 P CA 1.636 64.590 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 -0.211 120.083 120.300 -0.009 0.000 2.478 341 Y HA 0.355 4.905 4.550 -0.000 0.000 0.261 341 Y C 1.850 177.740 175.900 -0.017 0.000 1.127 341 Y CA -0.458 57.635 58.100 -0.011 0.000 1.288 341 Y CB -0.289 38.165 38.460 -0.011 0.000 1.084 341 Y HN -0.084 nan 8.280 nan 0.000 0.530 342 A N 2.063 124.943 122.820 0.100 0.000 2.429 342 A HA 0.057 4.377 4.320 -0.000 0.000 0.242 342 A C -0.983 176.611 177.584 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 -0.245 177.043 177.300 -0.021 0.000 1.151 343 P CA 1.633 64.730 63.100 -0.004 0.000 0.787 343 P CB -0.030 31.665 31.700 -0.010 0.000 0.788 344 D N -1.813 118.560 120.400 -0.045 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 -0.070 0.000 0.869 344 D CB 1.115 41.871 40.800 -0.074 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 -0.180 4.160 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 1.476 57.465 56.100 -0.185 0.000 0.971 345 R CB -0.156 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 0.829 120.867 120.500 -0.770 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 -0.705 0.000 1.131 346 R CA 1.542 56.859 56.100 -1.304 0.000 0.960 346 R CB -0.252 29.539 30.300 -0.849 0.000 0.856 346 R HN 0.155 nan 8.270 nan 0.000 0.436 347 M N 0.218 119.584 119.600 -0.390 0.000 2.144 347 M HA -0.132 4.348 4.480 -0.000 0.000 0.260 347 M C 1.907 178.092 176.300 -0.192 0.000 1.067 347 M CA 2.203 57.365 55.300 -0.231 0.000 1.095 347 M CB -0.333 32.182 32.600 -0.142 0.000 1.365 347 M HN 0.386 nan 8.290 nan 0.000 0.406 348 G N -0.574 108.108 108.800 -0.196 0.000 2.433 348 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 348 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 348 G C 1.290 176.120 174.900 -0.117 0.000 1.186 348 G CA 1.110 46.139 45.100 -0.118 0.000 0.779 348 G HN 0.397 nan 8.290 nan 0.000 0.543 349 V N 1.143 120.945 119.914 -0.187 0.000 2.252 349 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 349 V C 2.714 178.748 176.094 -0.101 0.000 1.056 349 V CA 2.410 64.637 62.300 -0.120 0.000 1.022 349 V CB -0.762 30.961 31.823 -0.167 0.000 0.641 349 V HN 0.483 nan 8.190 nan 0.000 0.445 350 E N -0.644 119.450 120.200 -0.177 0.000 2.097 350 E HA -0.265 4.085 4.350 -0.000 0.000 0.196 350 E C 2.200 178.770 176.600 -0.049 0.000 1.000 350 E CA 1.472 57.810 56.400 -0.104 0.000 0.804 350 E CB -0.228 29.394 29.700 -0.131 0.000 0.740 350 E HN 0.416 nan 8.360 nan 0.000 0.454 351 M N 0.175 119.743 119.600 -0.053 0.000 2.349 351 M HA -0.056 4.424 4.480 -0.000 0.000 0.266 351 M C 2.146 178.454 176.300 0.013 0.000 1.076 351 M CA 1.085 56.376 55.300 -0.015 0.000 1.126 351 M CB -0.411 32.178 32.600 -0.019 0.000 1.392 351 M HN 0.046 nan 8.290 nan 0.000 0.440 352 T N 1.279 115.836 114.554 0.005 0.000 2.746 352 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 352 T C 1.893 176.624 174.700 0.051 0.000 1.039 352 T CA 1.075 63.191 62.100 0.027 0.000 1.142 352 T CB -0.158 68.719 68.868 0.016 0.000 0.866 352 T HN 0.301 nan 8.240 nan 0.000 0.444 353 L N 0.236 121.484 121.223 0.042 0.000 2.109 353 L HA 0.091 4.431 4.340 -0.000 0.000 0.207 353 L C 2.329 179.242 176.870 0.072 0.000 1.086 353 L CA 0.759 55.633 54.840 0.057 0.000 0.760 353 L CB -0.407 41.678 42.059 0.044 0.000 0.910 353 L HN 0.217 nan 8.230 nan 0.000 0.437 354 L N -0.472 120.784 121.223 0.054 0.000 2.265 354 L HA -0.197 4.143 4.340 -0.000 0.000 0.215 354 L C 2.738 179.661 176.870 0.089 0.000 1.117 354 L CA 0.953 55.826 54.840 0.055 0.000 0.782 354 L CB -0.265 41.811 42.059 0.029 0.000 0.914 354 L HN 0.239 nan 8.230 nan 0.000 0.441 355 R N -0.422 120.151 120.500 0.123 0.000 2.100 355 R HA -0.059 4.280 4.340 -0.000 0.000 0.220 355 R C 2.346 178.813 176.300 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 30.295 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 0.944 53.128 52.037 0.245 0.000 0.620 356 A CB -0.457 18.657 19.000 0.190 0.000 0.819 356 A HN 0.278 nan 8.150 nan 0.000 0.442 357 L N -0.631 120.717 121.223 0.208 0.000 2.131 357 L HA -0.051 4.289 4.340 -0.000 0.000 0.210 357 L C 2.727 179.677 176.870 0.133 0.000 1.092 357 L CA 1.796 56.751 54.840 0.192 0.000 0.759 357 L CB -0.742 41.381 42.059 0.107 0.000 0.903 357 L HN 0.398 nan 8.230 nan 0.000 0.435 358 A N -2.338 120.528 122.820 0.076 0.000 1.984 358 A HA 0.001 4.321 4.320 -0.000 0.000 0.214 358 A C 1.425 178.864 177.584 -0.242 0.000 1.173 358 A CA 0.560 52.527 52.037 -0.116 0.000 0.673 358 A CB -0.432 18.441 19.000 -0.212 0.000 0.830 358 A HN 0.323 nan 8.150 nan 0.000 0.453 359 F N -0.174 119.836 119.950 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 -0.486 57.563 58.000 0.082 0.000 1.346 359 F CB -0.216 38.807 39.000 0.039 0.000 0.954 359 F HN 0.294 nan 8.300 nan 0.000 0.506 360 H N 0.516 119.699 119.070 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 -1.450 54.728 56.048 0.215 0.000 1.417 360 H CB 1.317 31.187 29.762 0.179 0.000 1.457 360 H HN -0.042 nan 8.280 nan 0.000 0.568 361 P HA -0.109 nan 4.420 nan 0.000 0.214 361 P C -0.164 177.286 177.300 0.250 0.000 1.162 361 P CA 1.146 64.392 63.100 0.245 0.000 0.879 361 P CB 0.293 32.093 31.700 0.167 0.000 0.786 362 R N -0.393 120.318 120.500 0.352 0.000 2.540 362 R HA 0.414 4.754 4.340 -0.000 0.000 0.287 362 R C -0.111 176.145 176.300 -0.073 0.000 0.980 362 R CA -0.561 55.606 56.100 0.113 0.000 0.966 362 R CB 0.181 30.537 30.300 0.094 0.000 1.106 362 R HN -0.062 nan 8.270 nan 0.000 0.480 363 M N 2.561 122.118 119.600 -0.072 0.000 2.303 363 M HA -0.173 4.307 4.480 -0.000 0.000 0.189 363 M C -2.153 174.078 176.300 -0.116 0.000 0.688 363 M CA 0.122 55.354 55.300 -0.114 0.000 0.479 363 M CB -1.200 31.303 32.600 -0.162 0.000 1.094 363 M HN 0.435 nan 8.290 nan 0.000 0.907 364 P HA 0.426 nan 4.420 nan 0.000 0.278 364 P C -0.126 177.148 177.300 -0.044 0.000 1.266 364 P CA -0.674 62.415 63.100 -0.018 0.000 0.807 364 P CB 0.740 32.445 31.700 0.008 0.000 1.094 365 L N 1.425 122.617 121.223 -0.051 0.000 2.573 365 L HA 0.093 4.433 4.340 -0.000 0.000 0.290 365 L C -1.259 175.580 176.870 -0.051 0.000 1.247 365 L CA -0.990 53.818 54.840 -0.053 0.000 0.876 365 L CB -0.929 41.093 42.059 -0.062 0.000 1.123 365 L HN 0.374 nan 8.230 nan 0.000 0.505 366 P HA 0.421 nan 4.420 nan 0.000 0.285 366 P C -1.437 175.844 177.300 -0.033 0.000 1.269 366 P CA -0.697 62.383 63.100 -0.034 0.000 0.844 366 P CB 1.558 33.242 31.700 -0.027 0.000 1.094 367 E N 0.828 121.011 120.200 -0.028 0.000 2.321 367 E HA 0.415 4.765 4.350 -0.000 0.000 0.281 367 E C -1.996 174.593 176.600 -0.018 0.000 0.910 367 E CA -1.177 55.208 56.400 -0.025 0.000 0.770 367 E CB 0.928 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 31.694 31.700 -0.011 0.000 0.726