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 2z8k_1_C DATA FIRST_RESID 38 DATA SEQUENCE EDVFHPVRAK QGMVASVDAT ATQVGVDILK EGGNAVDAAV AVGYALAVTH DATA SEQUENCE PQAGNLGGGG FMLIRSKNGN TTAIDFREMA PAKATRDMFL DDQGNPDSKK DATA SEQUENCE SLTSHLASGT PGTVAGFSLA LDKYGTMPLN KVVQPAFKLA RDGFIVNDAL DATA SEQUENCE ADDLKTYGSE VLPNHENSKA IFWKEGEPLK KGDTLVQANL AKSLEMIAEN DATA SEQUENCE GPDEFYKGTI AEQIAQEMQK NGGLITKEDL AAYKAVERTP ISGDYRGYQV DATA SEQUENCE YSMPPPSSGG IHIVQILNIL ENFDMKKYGF GSADAMQIMA EAEKYAYADR DATA SEQUENCE SEYLGDPDFV KVPWQALTNK AYAKSIADQI DINKAKPSSE IRPGKLAPYE 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 38 E HA 0.000 nan 4.350 nan 0.000 0.291 38 E C 0.000 176.606 176.600 0.010 0.000 1.382 38 E CA 0.000 56.417 56.400 0.028 0.000 0.976 38 E CB 0.000 29.732 29.700 0.052 0.000 0.812 39 D N 0.066 120.478 120.400 0.021 0.000 2.457 39 D HA 0.394 5.034 4.640 -0.000 0.000 0.240 39 D C 0.469 176.563 176.300 -0.344 0.000 1.041 39 D CA -0.446 53.465 54.000 -0.147 0.000 0.861 39 D CB 2.310 42.993 40.800 -0.196 0.000 1.394 39 D HN 0.215 nan 8.370 nan 0.000 0.473 40 V N 0.471 120.145 119.914 -0.400 0.000 2.599 40 V HA 0.068 4.188 4.120 -0.000 0.000 0.245 40 V C 0.238 175.794 176.094 -0.897 0.000 1.046 40 V CA 0.958 62.900 62.300 -0.597 0.000 1.065 40 V CB -0.138 31.274 31.823 -0.685 0.000 0.703 40 V HN 0.357 nan 8.190 nan 0.000 0.464 41 F N 0.112 119.827 119.950 -0.392 0.000 2.458 41 F HA 0.600 5.126 4.527 -0.000 0.000 0.336 41 F C 0.157 175.685 175.800 -0.453 0.000 1.114 41 F CA -0.888 56.915 58.000 -0.327 0.000 0.987 41 F CB 0.936 39.831 39.000 -0.175 0.000 1.130 41 F HN 0.046 nan 8.300 nan 0.000 0.458 42 H N 2.295 121.451 119.070 0.143 0.000 2.529 42 H HA 0.425 4.981 4.556 -0.000 0.000 0.348 42 H C -2.152 173.217 175.328 0.070 0.000 1.079 42 H CA -1.806 54.288 56.048 0.076 0.000 1.198 42 H CB 1.505 31.288 29.762 0.036 0.000 1.521 42 H HN 0.404 nan 8.280 nan 0.000 0.514 43 P HA 0.135 nan 4.420 nan 0.000 0.276 43 P C -0.179 177.171 177.300 0.084 0.000 1.244 43 P CA -0.659 62.499 63.100 0.097 0.000 0.801 43 P CB 0.911 32.652 31.700 0.069 0.000 1.006 44 V N 2.306 122.254 119.914 0.056 0.000 2.775 44 V HA 0.205 4.325 4.120 -0.000 0.000 0.299 44 V C 0.743 176.857 176.094 0.032 0.000 1.062 44 V CA -0.017 62.307 62.300 0.040 0.000 1.063 44 V CB 0.380 32.220 31.823 0.027 0.000 0.994 44 V HN 0.474 nan 8.190 nan 0.000 0.483 45 R N 2.293 122.807 120.500 0.023 0.000 2.670 45 R HA 0.846 5.186 4.340 -0.000 0.000 0.289 45 R C -0.823 175.484 176.300 0.012 0.000 0.965 45 R CA -0.469 55.642 56.100 0.019 0.000 0.899 45 R CB 2.115 32.424 30.300 0.016 0.000 1.173 45 R HN 0.834 nan 8.270 nan 0.000 0.456 46 A N 1.518 124.345 122.820 0.011 0.000 2.574 46 A HA 0.361 4.681 4.320 -0.000 0.000 0.297 46 A C -0.403 177.186 177.584 0.008 0.000 1.062 46 A CA -0.778 51.263 52.037 0.008 0.000 0.686 46 A CB 1.749 20.753 19.000 0.007 0.000 1.285 46 A HN 0.785 nan 8.150 nan 0.000 0.403 47 K N -0.001 120.403 120.400 0.006 0.000 2.242 47 K HA 0.030 4.350 4.320 -0.000 0.000 0.200 47 K C 1.465 178.068 176.600 0.006 0.000 1.050 47 K CA 1.214 57.505 56.287 0.006 0.000 0.981 47 K CB 0.291 32.794 32.500 0.005 0.000 0.795 47 K HN 0.764 nan 8.250 nan 0.000 0.477 48 Q N -0.558 119.245 119.800 0.004 0.000 2.525 48 Q HA 0.163 4.503 4.340 -0.000 0.000 0.203 48 Q C 0.715 176.717 176.000 0.003 0.000 0.947 48 Q CA 0.255 56.060 55.803 0.004 0.000 0.881 48 Q CB 0.740 29.479 28.738 0.002 0.000 1.049 48 Q HN 0.153 nan 8.270 nan 0.000 0.600 49 G N 0.276 109.077 108.800 0.002 0.000 2.605 49 G HA2 0.708 4.668 3.960 -0.000 0.000 0.296 49 G HA3 0.708 4.668 3.960 -0.000 0.000 0.296 49 G C -1.600 173.300 174.900 0.001 0.000 1.304 49 G CA -0.447 44.654 45.100 0.001 0.000 0.941 49 G HN 0.053 nan 8.290 nan 0.000 0.475 50 M N 0.697 120.297 119.600 -0.001 0.000 2.471 50 M HA 0.616 5.096 4.480 -0.000 0.000 0.284 50 M C -1.970 174.328 176.300 -0.004 0.000 1.203 50 M CA -0.642 54.658 55.300 -0.001 0.000 0.915 50 M CB 2.406 35.008 32.600 0.003 0.000 1.734 50 M HN 0.398 nan 8.290 nan 0.000 0.485 51 V N 2.534 122.444 119.914 -0.007 0.000 2.760 51 V HA 0.914 5.034 4.120 -0.000 0.000 0.309 51 V C -0.879 175.208 176.094 -0.012 0.000 1.077 51 V CA -0.669 61.625 62.300 -0.011 0.000 0.910 51 V CB 1.808 33.621 31.823 -0.016 0.000 1.008 51 V HN 0.913 nan 8.190 nan 0.000 0.424 52 A N 3.304 126.117 122.820 -0.013 0.000 2.335 52 A HA 0.949 5.269 4.320 -0.000 0.000 0.304 52 A C -0.220 177.349 177.584 -0.025 0.000 1.118 52 A CA -0.099 51.928 52.037 -0.016 0.000 0.757 52 A CB 1.552 20.546 19.000 -0.011 0.000 1.188 52 A HN 1.274 nan 8.150 nan 0.000 0.460 53 S N 0.899 116.576 115.700 -0.039 0.000 2.638 53 S HA 0.454 4.923 4.470 -0.000 0.000 0.274 53 S C 0.188 174.735 174.600 -0.088 0.000 1.157 53 S CA 0.111 58.275 58.200 -0.061 0.000 0.826 53 S CB 1.206 64.367 63.200 -0.065 0.000 1.139 53 S HN 1.417 nan 8.310 nan 0.000 0.474 54 V N 0.632 120.459 119.914 -0.145 0.000 3.380 54 V HA 0.194 4.314 4.120 -0.000 0.000 0.268 54 V C -0.062 175.911 176.094 -0.201 0.000 1.168 54 V CA 1.834 64.017 62.300 -0.194 0.000 1.156 54 V CB -1.082 30.543 31.823 -0.331 0.000 0.785 54 V HN 0.889 nan 8.190 nan 0.000 0.487 55 D N -1.770 118.529 120.400 -0.168 0.000 2.757 55 D HA 0.577 5.217 4.640 -0.000 0.000 0.249 55 D C 0.824 177.077 176.300 -0.079 0.000 1.168 55 D CA 0.335 54.262 54.000 -0.122 0.000 0.870 55 D CB 2.002 42.717 40.800 -0.143 0.000 1.411 55 D HN 0.044 nan 8.370 nan 0.000 0.525 56 A N 2.582 125.372 122.820 -0.051 0.000 1.873 56 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 56 A C 1.977 179.534 177.584 -0.044 0.000 1.193 56 A CA 2.227 54.242 52.037 -0.036 0.000 0.629 56 A CB -0.966 18.024 19.000 -0.016 0.000 0.826 56 A HN 0.658 nan 8.150 nan 0.000 0.447 57 T N 0.200 114.716 114.554 -0.063 0.000 2.684 57 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 57 T C 2.214 176.871 174.700 -0.072 0.000 1.036 57 T CA 1.828 63.883 62.100 -0.075 0.000 1.148 57 T CB -0.520 68.269 68.868 -0.133 0.000 0.863 57 T HN 0.640 nan 8.240 nan 0.000 0.436 58 A N 1.097 123.867 122.820 -0.084 0.000 1.933 58 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 58 A C 2.564 180.119 177.584 -0.047 0.000 1.175 58 A CA 2.073 54.072 52.037 -0.064 0.000 0.628 58 A CB -1.240 17.720 19.000 -0.068 0.000 0.814 58 A HN 0.468 nan 8.150 nan 0.000 0.444 59 T N 0.232 114.757 114.554 -0.048 0.000 2.746 59 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 59 T C 2.041 176.725 174.700 -0.027 0.000 1.039 59 T CA 1.820 63.899 62.100 -0.036 0.000 1.142 59 T CB -0.289 68.559 68.868 -0.033 0.000 0.866 59 T HN 0.657 nan 8.240 nan 0.000 0.444 60 Q N 0.195 119.979 119.800 -0.026 0.000 2.170 60 Q HA -0.046 4.294 4.340 -0.000 0.000 0.203 60 Q C 2.519 178.509 176.000 -0.017 0.000 0.976 60 Q CA 0.951 56.743 55.803 -0.018 0.000 0.858 60 Q CB -0.347 28.381 28.738 -0.016 0.000 0.907 60 Q HN 0.336 nan 8.270 nan 0.000 0.433 61 V N 0.606 120.507 119.914 -0.021 0.000 2.343 61 V HA -0.209 3.910 4.120 -0.000 0.000 0.247 61 V C 2.223 178.307 176.094 -0.017 0.000 1.051 61 V CA 2.059 64.350 62.300 -0.016 0.000 1.036 61 V CB -1.067 30.747 31.823 -0.016 0.000 0.654 61 V HN 0.541 nan 8.190 nan 0.000 0.451 62 G N -0.448 108.338 108.800 -0.023 0.000 2.421 62 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 62 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 62 G C 1.682 176.571 174.900 -0.018 0.000 1.171 62 G CA 1.169 46.254 45.100 -0.025 0.000 0.775 62 G HN 0.373 nan 8.290 nan 0.000 0.543 63 V N 1.433 121.338 119.914 -0.015 0.000 2.343 63 V HA -0.161 3.958 4.120 -0.000 0.000 0.247 63 V C 2.567 178.656 176.094 -0.009 0.000 1.051 63 V CA 2.191 64.484 62.300 -0.011 0.000 1.036 63 V CB -0.432 31.386 31.823 -0.009 0.000 0.654 63 V HN 0.259 nan 8.190 nan 0.000 0.451 64 D N -0.045 120.350 120.400 -0.009 0.000 2.144 64 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 64 D C 1.965 178.261 176.300 -0.007 0.000 0.984 64 D CA 1.239 55.236 54.000 -0.006 0.000 0.834 64 D CB -0.247 40.550 40.800 -0.004 0.000 0.955 64 D HN 0.408 nan 8.370 nan 0.000 0.465 65 I N 0.452 121.015 120.570 -0.010 0.000 2.226 65 I HA -0.214 3.955 4.170 -0.000 0.000 0.245 65 I C 2.394 178.505 176.117 -0.010 0.000 1.100 65 I CA 0.695 61.988 61.300 -0.012 0.000 1.374 65 I CB -0.130 37.858 38.000 -0.018 0.000 1.057 65 I HN -0.012 nan 8.210 nan 0.000 0.413 66 L N 0.047 121.264 121.223 -0.010 0.000 2.046 66 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 66 L C 2.482 179.349 176.870 -0.005 0.000 1.077 66 L CA 1.487 56.322 54.840 -0.007 0.000 0.747 66 L CB -0.640 41.414 42.059 -0.007 0.000 0.896 66 L HN 0.185 nan 8.230 nan 0.000 0.432 67 K N 0.137 120.535 120.400 -0.004 0.000 2.147 67 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 67 K C 1.780 178.378 176.600 -0.002 0.000 1.049 67 K CA 1.218 57.503 56.287 -0.003 0.000 0.936 67 K CB -0.070 32.429 32.500 -0.002 0.000 0.722 67 K HN 0.389 nan 8.250 nan 0.000 0.446 68 E N -0.673 119.525 120.200 -0.003 0.000 2.482 68 E HA -0.039 4.311 4.350 -0.000 0.000 0.196 68 E C 0.892 177.489 176.600 -0.003 0.000 1.047 68 E CA 0.464 56.862 56.400 -0.003 0.000 0.869 68 E CB 0.327 30.024 29.700 -0.004 0.000 0.836 68 E HN 0.530 nan 8.360 nan 0.000 0.520 69 G N 0.734 109.532 108.800 -0.003 0.000 2.192 69 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.193 69 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.193 69 G C 0.480 175.378 174.900 -0.003 0.000 0.999 69 G CA -0.412 44.687 45.100 -0.002 0.000 0.659 69 G HN 0.454 nan 8.290 nan 0.000 0.503 70 G N 0.483 109.280 108.800 -0.005 0.000 2.527 70 G HA2 0.513 4.473 3.960 -0.000 0.000 0.248 70 G HA3 0.513 4.473 3.960 -0.000 0.000 0.248 70 G C 0.414 175.312 174.900 -0.003 0.000 1.231 70 G CA 0.510 45.607 45.100 -0.005 0.000 0.838 70 G HN 0.917 nan 8.290 nan 0.000 0.570 71 N N -0.182 118.518 118.700 0.001 0.000 2.476 71 N HA 0.428 5.168 4.740 -0.000 0.000 0.287 71 N C 1.463 176.973 175.510 -0.001 0.000 1.262 71 N CA 0.022 53.074 53.050 0.004 0.000 0.980 71 N CB 0.534 39.029 38.487 0.015 0.000 1.163 71 N HN 0.440 nan 8.380 nan 0.000 0.592 72 A N -0.272 122.547 122.820 -0.002 0.000 1.948 72 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 72 A C 2.111 179.689 177.584 -0.011 0.000 1.177 72 A CA 1.995 54.027 52.037 -0.009 0.000 0.636 72 A CB -1.159 17.834 19.000 -0.011 0.000 0.815 72 A HN 0.438 nan 8.150 nan 0.000 0.449 73 V N 0.474 120.390 119.914 0.004 0.000 2.358 73 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 73 V C 2.174 178.258 176.094 -0.018 0.000 1.047 73 V CA 2.136 64.442 62.300 0.010 0.000 1.035 73 V CB -0.766 31.098 31.823 0.068 0.000 0.658 73 V HN 0.522 nan 8.190 nan 0.000 0.452 74 D N 0.740 121.134 120.400 -0.010 0.000 2.104 74 D HA -0.178 4.462 4.640 -0.000 0.000 0.194 74 D C 2.237 178.508 176.300 -0.048 0.000 0.994 74 D CA 1.842 55.827 54.000 -0.025 0.000 0.830 74 D CB -0.304 40.487 40.800 -0.015 0.000 0.959 74 D HN 0.451 nan 8.370 nan 0.000 0.452 75 A N 1.179 123.975 122.820 -0.040 0.000 1.902 75 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 75 A C 2.349 179.888 177.584 -0.076 0.000 1.181 75 A CA 2.234 54.243 52.037 -0.046 0.000 0.623 75 A CB -0.671 18.310 19.000 -0.031 0.000 0.818 75 A HN 0.246 nan 8.150 nan 0.000 0.443 76 A N -0.565 122.203 122.820 -0.086 0.000 1.902 76 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 76 A C 2.217 179.627 177.584 -0.290 0.000 1.181 76 A CA 1.848 53.809 52.037 -0.127 0.000 0.623 76 A CB -0.874 18.079 19.000 -0.079 0.000 0.818 76 A HN 0.398 nan 8.150 nan 0.000 0.443 77 V N -0.281 119.439 119.914 -0.323 0.000 2.358 77 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 77 V C 3.027 178.956 176.094 -0.274 0.000 1.047 77 V CA 1.760 63.734 62.300 -0.543 0.000 1.035 77 V CB -1.166 30.495 31.823 -0.270 0.000 0.658 77 V HN 0.609 nan 8.190 nan 0.000 0.452 78 A N -0.146 122.602 122.820 -0.119 0.000 1.902 78 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 78 A C 2.383 179.954 177.584 -0.021 0.000 1.181 78 A CA 2.032 54.052 52.037 -0.028 0.000 0.623 78 A CB -0.637 18.343 19.000 -0.033 0.000 0.818 78 A HN 0.336 nan 8.150 nan 0.000 0.443 79 V N -0.134 119.735 119.914 -0.076 0.000 2.427 79 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 79 V C 2.795 178.860 176.094 -0.048 0.000 1.051 79 V CA 1.855 64.122 62.300 -0.055 0.000 1.048 79 V CB -1.364 30.423 31.823 -0.059 0.000 0.666 79 V HN 0.613 nan 8.190 nan 0.000 0.456 80 G N -1.625 107.077 108.800 -0.163 0.000 2.418 80 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 80 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 80 G C 1.503 176.427 174.900 0.040 0.000 1.158 80 G CA 0.851 45.897 45.100 -0.089 0.000 0.771 80 G HN 0.522 nan 8.290 nan 0.000 0.545 81 Y N 1.046 121.345 120.300 -0.001 0.000 2.263 81 Y HA 0.112 4.661 4.550 -0.000 0.000 0.292 81 Y C 3.125 179.062 175.900 0.061 0.000 1.130 81 Y CA 0.849 58.998 58.100 0.082 0.000 1.179 81 Y CB -0.039 38.447 38.460 0.043 0.000 0.998 81 Y HN 0.266 nan 8.280 nan 0.000 0.532 82 A N -0.006 122.909 122.820 0.157 0.000 1.902 82 A HA -0.168 4.151 4.320 -0.000 0.000 0.217 82 A C 2.138 179.748 177.584 0.043 0.000 1.181 82 A CA 1.500 53.582 52.037 0.075 0.000 0.623 82 A CB -1.059 17.951 19.000 0.017 0.000 0.818 82 A HN 0.479 nan 8.150 nan 0.000 0.443 83 L N -0.759 120.494 121.223 0.050 0.000 2.191 83 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 83 L C 2.897 179.835 176.870 0.114 0.000 1.103 83 L CA 0.760 55.641 54.840 0.069 0.000 0.769 83 L CB -0.405 41.696 42.059 0.070 0.000 0.908 83 L HN 0.444 nan 8.230 nan 0.000 0.438 84 A N -0.833 122.053 122.820 0.111 0.000 2.121 84 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 84 A C 2.133 179.808 177.584 0.153 0.000 1.154 84 A CA 1.333 53.438 52.037 0.113 0.000 0.679 84 A CB -0.252 18.799 19.000 0.085 0.000 0.795 84 A HN 0.250 nan 8.150 nan 0.000 0.458 85 V N -1.047 118.955 119.914 0.148 0.000 2.806 85 V HA -0.068 4.052 4.120 -0.000 0.000 0.239 85 V C 2.626 178.824 176.094 0.174 0.000 1.113 85 V CA 1.855 64.268 62.300 0.189 0.000 1.137 85 V CB -0.413 31.507 31.823 0.162 0.000 0.865 85 V HN 0.697 nan 8.190 nan 0.000 0.482 86 T N -2.596 111.909 114.554 -0.082 0.000 3.081 86 T HA -0.038 4.312 4.350 -0.000 0.000 0.255 86 T C 0.883 175.606 174.700 0.039 0.000 1.113 86 T CA 0.969 62.840 62.100 -0.381 0.000 1.082 86 T CB -0.251 68.261 68.868 -0.594 0.000 0.939 86 T HN 0.491 nan 8.240 nan 0.000 0.506 87 H N 1.772 120.848 119.070 0.010 0.000 2.439 87 H HA 0.369 4.925 4.556 -0.000 0.000 0.230 87 H C -2.094 173.265 175.328 0.052 0.000 1.420 87 H CA -2.113 53.956 56.048 0.035 0.000 1.305 87 H CB 1.154 30.916 29.762 -0.001 0.000 1.667 87 H HN 0.000 nan 8.280 nan 0.000 0.515 88 P HA -0.219 nan 4.420 nan 0.000 0.223 88 P C 1.113 178.296 177.300 -0.194 0.000 1.144 88 P CA 0.871 63.958 63.100 -0.022 0.000 0.783 88 P CB 0.428 32.172 31.700 0.075 0.000 0.771 89 Q N -0.276 119.300 119.800 -0.373 0.000 2.224 89 Q HA -0.027 4.312 4.340 -0.000 0.000 0.203 89 Q C 1.582 177.401 176.000 -0.302 0.000 0.970 89 Q CA 2.010 57.582 55.803 -0.385 0.000 0.865 89 Q CB -0.632 27.822 28.738 -0.473 0.000 0.922 89 Q HN 0.299 nan 8.270 nan 0.000 0.445 90 A N 0.370 123.032 122.820 -0.264 0.000 1.827 90 A HA 0.390 4.710 4.320 -0.000 0.000 0.196 90 A C 1.163 178.782 177.584 0.057 0.000 1.833 90 A CA 0.325 52.335 52.037 -0.045 0.000 1.363 90 A CB -0.365 18.675 19.000 0.065 0.000 1.439 90 A HN 0.359 nan 8.150 nan 0.000 0.391 91 G N 1.020 109.911 108.800 0.153 0.000 2.491 91 G HA2 0.414 4.373 3.960 -0.000 0.000 0.238 91 G HA3 0.414 4.373 3.960 -0.000 0.000 0.238 91 G C -0.317 174.619 174.900 0.060 0.000 1.277 91 G CA 0.672 45.855 45.100 0.138 0.000 0.851 91 G HN 1.148 nan 8.290 nan 0.000 0.573 92 N N -0.842 117.875 118.700 0.029 0.000 3.185 92 N HA 0.281 5.021 4.740 -0.000 0.000 0.238 92 N C -0.238 175.215 175.510 -0.095 0.000 1.451 92 N CA -0.906 52.135 53.050 -0.015 0.000 0.888 92 N CB 0.791 39.256 38.487 -0.038 0.000 1.413 92 N HN 0.240 nan 8.380 nan 0.000 0.511 93 L N -1.327 119.845 121.223 -0.085 0.000 2.948 93 L HA 0.455 4.795 4.340 -0.000 0.000 0.259 93 L C 1.419 178.201 176.870 -0.147 0.000 1.136 93 L CA 0.369 55.094 54.840 -0.191 0.000 0.959 93 L CB 0.592 42.631 42.059 -0.034 0.000 1.370 93 L HN 0.900 nan 8.230 nan 0.000 0.552 94 G N -0.009 108.782 108.800 -0.015 0.000 3.371 94 G HA2 0.402 4.362 3.960 -0.000 0.000 0.248 94 G HA3 0.402 4.362 3.960 -0.000 0.000 0.248 94 G C 0.458 175.341 174.900 -0.028 0.000 1.161 94 G CA 0.562 45.688 45.100 0.042 0.000 0.796 94 G HN 0.347 nan 8.290 nan 0.000 0.539 95 G N -1.007 107.739 108.800 -0.090 0.000 3.302 95 G HA2 0.719 4.679 3.960 -0.000 0.000 0.170 95 G HA3 0.719 4.679 3.960 -0.000 0.000 0.170 95 G C -0.193 174.627 174.900 -0.134 0.000 1.119 95 G CA -0.099 44.941 45.100 -0.099 0.000 0.826 95 G HN 0.744 nan 8.290 nan 0.000 0.646 96 G N -2.881 105.832 108.800 -0.145 0.000 2.550 96 G HA2 0.736 4.696 3.960 -0.000 0.000 0.293 96 G HA3 0.736 4.696 3.960 -0.000 0.000 0.293 96 G C -0.530 174.129 174.900 -0.402 0.000 1.402 96 G CA 0.401 45.398 45.100 -0.170 0.000 0.784 96 G HN 1.841 nan 8.290 nan 0.000 0.482 97 G N -1.885 106.293 108.800 -1.036 0.000 2.348 97 G HA2 0.620 4.580 3.960 -0.000 0.000 0.296 97 G HA3 0.620 4.580 3.960 -0.000 0.000 0.296 97 G C -2.106 171.354 174.900 -2.401 0.000 1.258 97 G CA -0.582 43.638 45.100 -1.467 0.000 0.868 97 G HN 0.832 nan 8.290 nan 0.000 0.488 98 F N -0.228 119.125 119.950 -0.995 0.000 2.599 98 F HA 0.832 5.359 4.527 -0.000 0.000 0.311 98 F C 0.164 175.924 175.800 -0.067 0.000 1.076 98 F CA -0.810 56.862 58.000 -0.546 0.000 0.937 98 F CB 2.650 41.500 39.000 -0.250 0.000 1.282 98 F HN 0.500 nan 8.300 nan 0.000 0.460 99 M N 3.432 123.253 119.600 0.369 0.000 2.327 99 M HA 0.620 5.100 4.480 -0.000 0.000 0.298 99 M C -2.282 174.130 176.300 0.187 0.000 1.065 99 M CA -0.937 54.567 55.300 0.340 0.000 0.916 99 M CB 1.939 34.815 32.600 0.459 0.000 1.630 99 M HN 0.630 nan 8.290 nan 0.000 0.442 100 L N 6.333 127.621 121.223 0.107 0.000 2.313 100 L HA 0.689 5.029 4.340 -0.000 0.000 0.283 100 L C -1.527 175.332 176.870 -0.017 0.000 1.013 100 L CA -0.191 54.665 54.840 0.028 0.000 0.816 100 L CB 1.532 43.602 42.059 0.018 0.000 1.236 100 L HN 0.697 nan 8.230 nan 0.000 0.419 101 I N 4.934 125.448 120.570 -0.093 0.000 2.498 101 I HA 0.543 4.713 4.170 -0.000 0.000 0.290 101 I C -0.448 175.541 176.117 -0.214 0.000 1.032 101 I CA -0.695 60.509 61.300 -0.160 0.000 1.073 101 I CB 1.904 39.736 38.000 -0.280 0.000 1.251 101 I HN 0.533 nan 8.210 nan 0.000 0.426 102 R N 4.535 124.928 120.500 -0.178 0.000 2.473 102 R HA 0.427 4.767 4.340 -0.000 0.000 0.303 102 R C -0.482 175.735 176.300 -0.140 0.000 1.002 102 R CA -0.330 55.655 56.100 -0.192 0.000 0.884 102 R CB 1.561 31.746 30.300 -0.191 0.000 1.173 102 R HN 0.860 nan 8.270 nan 0.000 0.464 103 S N 2.642 118.259 115.700 -0.139 0.000 2.614 103 S HA 0.067 4.537 4.470 -0.000 0.000 0.265 103 S C 1.154 175.721 174.600 -0.055 0.000 1.303 103 S CA -0.463 57.688 58.200 -0.080 0.000 1.000 103 S CB 1.327 64.494 63.200 -0.054 0.000 0.935 103 S HN 0.792 nan 8.310 nan 0.000 0.551 104 K N 1.098 121.480 120.400 -0.029 0.000 2.211 104 K HA -0.221 4.099 4.320 -0.000 0.000 0.204 104 K C 1.161 177.751 176.600 -0.017 0.000 1.047 104 K CA 1.919 58.195 56.287 -0.018 0.000 0.935 104 K CB -0.895 31.601 32.500 -0.007 0.000 0.728 104 K HN 0.774 nan 8.250 nan 0.000 0.452 105 N N 0.033 118.723 118.700 -0.016 0.000 2.521 105 N HA 0.033 4.773 4.740 -0.000 0.000 0.188 105 N C 1.115 176.613 175.510 -0.021 0.000 1.146 105 N CA 0.768 53.812 53.050 -0.010 0.000 0.893 105 N CB 0.616 39.102 38.487 0.000 0.000 0.975 105 N HN 0.445 nan 8.380 nan 0.000 0.451 106 G N -0.281 108.493 108.800 -0.043 0.000 2.176 106 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.232 106 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.232 106 G C -0.377 174.463 174.900 -0.100 0.000 0.986 106 G CA -0.048 45.014 45.100 -0.063 0.000 0.643 106 G HN 0.656 nan 8.290 nan 0.000 0.522 107 N N 1.254 119.902 118.700 -0.087 0.000 2.427 107 N HA 0.348 5.088 4.740 -0.000 0.000 0.269 107 N C -0.552 174.847 175.510 -0.185 0.000 1.235 107 N CA 0.604 53.595 53.050 -0.099 0.000 0.934 107 N CB 0.230 38.687 38.487 -0.049 0.000 1.121 107 N HN 0.130 nan 8.380 nan 0.000 0.480 108 T N 2.562 116.976 114.554 -0.232 0.000 2.770 108 T HA 0.262 4.611 4.350 -0.000 0.000 0.283 108 T C -0.179 174.391 174.700 -0.216 0.000 0.988 108 T CA -0.423 61.483 62.100 -0.324 0.000 0.957 108 T CB 1.663 70.136 68.868 -0.658 0.000 0.930 108 T HN 0.412 nan 8.240 nan 0.000 0.443 109 T N 1.356 115.789 114.554 -0.202 0.000 2.883 109 T HA 0.767 5.117 4.350 -0.000 0.000 0.296 109 T C -1.576 173.075 174.700 -0.082 0.000 1.117 109 T CA -0.552 61.475 62.100 -0.122 0.000 1.006 109 T CB 1.379 70.180 68.868 -0.112 0.000 1.191 109 T HN 0.744 nan 8.240 nan 0.000 0.508 110 A N 2.744 125.550 122.820 -0.023 0.000 2.355 110 A HA 0.836 5.156 4.320 -0.000 0.000 0.317 110 A C -0.983 176.656 177.584 0.093 0.000 1.094 110 A CA -0.689 51.359 52.037 0.019 0.000 0.764 110 A CB 0.744 19.728 19.000 -0.027 0.000 1.230 110 A HN 0.794 nan 8.150 nan 0.000 0.448 111 I N 2.057 122.737 120.570 0.183 0.000 2.382 111 I HA 0.241 4.411 4.170 -0.000 0.000 0.286 111 I C -0.876 175.463 176.117 0.369 0.000 1.002 111 I CA -0.487 60.981 61.300 0.280 0.000 1.135 111 I CB 1.877 40.092 38.000 0.358 0.000 1.288 111 I HN 0.674 nan 8.210 nan 0.000 0.448 112 D N 7.575 128.164 120.400 0.315 0.000 2.396 112 D HA 0.193 4.833 4.640 -0.000 0.000 0.225 112 D C -0.445 176.033 176.300 0.295 0.000 1.121 112 D CA -0.383 53.830 54.000 0.355 0.000 0.853 112 D CB 0.443 41.409 40.800 0.277 0.000 1.043 112 D HN 0.368 nan 8.370 nan 0.000 0.500 113 F N 2.045 122.030 119.950 0.058 0.000 2.831 113 F HA 0.481 5.008 4.527 -0.000 0.000 0.355 113 F C 0.115 175.867 175.800 -0.080 0.000 1.341 113 F CA -1.373 56.654 58.000 0.045 0.000 1.201 113 F CB -0.121 38.860 39.000 -0.033 0.000 1.058 113 F HN 0.026 nan 8.300 nan 0.000 0.514 114 R N 1.767 122.181 120.500 -0.143 0.000 2.539 114 R HA 0.287 4.627 4.340 -0.000 0.000 0.275 114 R C -0.194 176.164 176.300 0.097 0.000 1.077 114 R CA -0.125 55.843 56.100 -0.221 0.000 1.097 114 R CB 0.445 30.674 30.300 -0.119 0.000 1.018 114 R HN 0.433 nan 8.270 nan 0.000 0.483 115 E N 2.661 122.872 120.200 0.017 0.000 2.418 115 E HA 0.065 4.415 4.350 -0.000 0.000 0.261 115 E C -0.318 176.405 176.600 0.205 0.000 1.070 115 E CA 0.643 57.099 56.400 0.093 0.000 0.931 115 E CB 0.489 30.194 29.700 0.008 0.000 0.954 115 E HN 0.463 nan 8.360 nan 0.000 0.439 116 M N 1.798 121.575 119.600 0.295 0.000 2.336 116 M HA 0.409 4.889 4.480 -0.000 0.000 0.342 116 M C -0.339 176.053 176.300 0.152 0.000 1.128 116 M CA -0.810 54.634 55.300 0.240 0.000 1.016 116 M CB 1.841 34.630 32.600 0.315 0.000 1.665 116 M HN 0.577 nan 8.290 nan 0.000 0.445 117 A N 4.374 127.246 122.820 0.086 0.000 2.498 117 A HA 0.461 4.781 4.320 -0.000 0.000 0.239 117 A C -2.427 175.198 177.584 0.069 0.000 1.068 117 A CA -0.992 51.080 52.037 0.059 0.000 0.766 117 A CB -0.760 18.243 19.000 0.005 0.000 1.003 117 A HN 0.464 nan 8.150 nan 0.000 0.497 118 P HA 0.151 nan 4.420 nan 0.000 0.268 118 P C 0.816 178.143 177.300 0.045 0.000 1.208 118 P CA 0.644 63.781 63.100 0.062 0.000 0.777 118 P CB 0.625 32.352 31.700 0.046 0.000 0.875 119 A N 2.767 125.619 122.820 0.054 0.000 2.070 119 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 119 A C 1.559 179.157 177.584 0.024 0.000 1.159 119 A CA 1.468 53.533 52.037 0.048 0.000 0.656 119 A CB -0.690 18.343 19.000 0.054 0.000 0.800 119 A HN 0.363 nan 8.150 nan 0.000 0.453 120 K N 0.020 120.427 120.400 0.012 0.000 2.404 120 K HA 0.316 4.636 4.320 -0.000 0.000 0.194 120 K C 0.673 177.252 176.600 -0.034 0.000 1.023 120 K CA 0.560 56.843 56.287 -0.007 0.000 1.094 120 K CB -0.465 32.031 32.500 -0.006 0.000 0.841 120 K HN 0.439 nan 8.250 nan 0.000 0.523 121 A N 1.777 124.574 122.820 -0.038 0.000 2.445 121 A HA 0.300 4.620 4.320 -0.000 0.000 0.242 121 A C 0.466 177.996 177.584 -0.090 0.000 1.075 121 A CA 0.093 52.080 52.037 -0.083 0.000 0.777 121 A CB 0.099 19.059 19.000 -0.065 0.000 1.013 121 A HN 0.287 nan 8.150 nan 0.000 0.493 122 T N -1.037 113.436 114.554 -0.135 0.000 2.906 122 T HA 0.488 4.838 4.350 -0.000 0.000 0.295 122 T C 0.931 175.558 174.700 -0.122 0.000 1.075 122 T CA -0.672 61.364 62.100 -0.106 0.000 1.005 122 T CB 1.485 70.298 68.868 -0.092 0.000 1.136 122 T HN 0.701 nan 8.240 nan 0.000 0.498 123 R N 0.339 120.794 120.500 -0.074 0.000 2.112 123 R HA -0.160 4.180 4.340 -0.000 0.000 0.242 123 R C 0.223 176.491 176.300 -0.053 0.000 1.137 123 R CA 2.251 58.321 56.100 -0.050 0.000 0.944 123 R CB -0.393 29.892 30.300 -0.024 0.000 0.857 123 R HN 0.681 nan 8.270 nan 0.000 0.435 124 D N 0.166 120.528 120.400 -0.064 0.000 2.395 124 D HA 0.001 4.641 4.640 -0.000 0.000 0.226 124 D C 1.381 177.615 176.300 -0.110 0.000 1.146 124 D CA 0.121 54.090 54.000 -0.051 0.000 0.830 124 D CB 0.217 41.001 40.800 -0.026 0.000 0.958 124 D HN 0.496 nan 8.370 nan 0.000 0.501 125 M N -1.941 117.509 119.600 -0.250 0.000 2.358 125 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 125 M C 0.468 176.519 176.300 -0.414 0.000 1.064 125 M CA 1.434 56.497 55.300 -0.395 0.000 1.093 125 M CB -0.370 31.866 32.600 -0.607 0.000 1.401 125 M HN -0.176 nan 8.290 nan 0.000 0.440 126 F N 1.465 121.416 119.950 0.001 0.000 2.664 126 F HA 0.474 5.001 4.527 -0.000 0.000 0.303 126 F C 0.355 176.157 175.800 0.002 0.000 1.092 126 F CA -0.669 57.333 58.000 0.002 0.000 1.305 126 F CB -0.255 38.745 39.000 0.001 0.000 1.054 126 F HN 0.015 nan 8.300 nan 0.000 0.565 127 L N 1.071 122.362 121.223 0.113 0.000 2.350 127 L HA 0.278 4.618 4.340 -0.000 0.000 0.275 127 L C 0.220 177.122 176.870 0.054 0.000 1.099 127 L CA -0.948 53.938 54.840 0.076 0.000 0.808 127 L CB 0.624 42.709 42.059 0.043 0.000 1.149 127 L HN 0.068 nan 8.230 nan 0.000 0.442 128 D N 0.031 120.460 120.400 0.048 0.000 2.447 128 D HA 0.017 4.657 4.640 -0.000 0.000 0.265 128 D C 0.408 176.721 176.300 0.022 0.000 1.250 128 D CA -0.535 53.486 54.000 0.035 0.000 1.046 128 D CB 0.526 41.345 40.800 0.032 0.000 1.095 128 D HN 0.359 nan 8.370 nan 0.000 0.555 129 D N -1.160 119.250 120.400 0.017 0.000 2.265 129 D HA -0.128 4.512 4.640 -0.000 0.000 0.208 129 D C 1.411 177.717 176.300 0.010 0.000 0.977 129 D CA 0.970 54.977 54.000 0.011 0.000 0.871 129 D CB 0.029 40.834 40.800 0.009 0.000 0.925 129 D HN 0.332 nan 8.370 nan 0.000 0.485 130 Q N -0.909 118.899 119.800 0.012 0.000 2.360 130 Q HA 0.186 4.526 4.340 -0.000 0.000 0.202 130 Q C 1.258 177.265 176.000 0.012 0.000 0.915 130 Q CA 0.563 56.373 55.803 0.011 0.000 0.943 130 Q CB 0.959 29.703 28.738 0.010 0.000 1.064 130 Q HN 0.340 nan 8.270 nan 0.000 0.511 131 G N 1.425 110.234 108.800 0.016 0.000 2.141 131 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.231 131 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.231 131 G C -0.167 174.747 174.900 0.023 0.000 0.984 131 G CA 0.024 45.135 45.100 0.018 0.000 0.660 131 G HN 0.405 nan 8.290 nan 0.000 0.525 132 N N 1.369 120.084 118.700 0.025 0.000 2.430 132 N HA 0.557 5.297 4.740 -0.000 0.000 0.292 132 N C -2.799 172.735 175.510 0.041 0.000 1.051 132 N CA -1.743 51.323 53.050 0.027 0.000 0.917 132 N CB 1.712 40.210 38.487 0.019 0.000 1.164 132 N HN -0.010 nan 8.380 nan 0.000 0.484 133 P HA -0.056 nan 4.420 nan 0.000 0.266 133 P C -1.030 176.299 177.300 0.048 0.000 1.195 133 P CA 0.373 63.512 63.100 0.065 0.000 0.768 133 P CB 0.465 32.193 31.700 0.047 0.000 0.838 134 D N 1.464 121.906 120.400 0.070 0.000 2.441 134 D HA 0.082 4.721 4.640 -0.000 0.000 0.231 134 D C 0.963 177.265 176.300 0.004 0.000 1.073 134 D CA -0.269 53.758 54.000 0.045 0.000 0.850 134 D CB 0.726 41.570 40.800 0.074 0.000 1.062 134 D HN 0.200 nan 8.370 nan 0.000 0.524 135 S N 3.518 119.200 115.700 -0.030 0.000 2.419 135 S HA -0.168 4.302 4.470 -0.000 0.000 0.233 135 S C 1.540 176.098 174.600 -0.071 0.000 1.016 135 S CA 0.699 58.853 58.200 -0.077 0.000 0.974 135 S CB -0.031 63.134 63.200 -0.058 0.000 0.786 135 S HN 0.448 nan 8.310 nan 0.000 0.492 136 K N 1.381 121.767 120.400 -0.025 0.000 2.097 136 K HA -0.001 4.318 4.320 -0.000 0.000 0.206 136 K C 2.298 178.901 176.600 0.006 0.000 1.049 136 K CA 1.316 57.599 56.287 -0.007 0.000 0.933 136 K CB -0.147 32.361 32.500 0.014 0.000 0.717 136 K HN 0.404 nan 8.250 nan 0.000 0.442 137 K N 0.560 120.983 120.400 0.039 0.000 2.097 137 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 137 K C 2.153 178.773 176.600 0.035 0.000 1.050 137 K CA 1.652 58.016 56.287 0.128 0.000 0.938 137 K CB 0.019 32.691 32.500 0.287 0.000 0.718 137 K HN 0.152 nan 8.250 nan 0.000 0.442 138 S N -0.138 115.379 115.700 -0.306 0.000 2.558 138 S HA 0.112 4.582 4.470 -0.000 0.000 0.217 138 S C 1.588 175.987 174.600 -0.334 0.000 0.975 138 S CA 0.174 57.938 58.200 -0.727 0.000 0.912 138 S CB 0.073 62.537 63.200 -1.228 0.000 0.776 138 S HN 0.151 nan 8.310 nan 0.000 0.526 139 L N 0.635 121.753 121.223 -0.176 0.000 2.730 139 L HA 0.220 4.560 4.340 -0.000 0.000 0.236 139 L C 2.135 178.965 176.870 -0.066 0.000 1.061 139 L CA 0.946 55.718 54.840 -0.113 0.000 0.898 139 L CB 0.227 42.230 42.059 -0.093 0.000 1.270 139 L HN 0.482 nan 8.230 nan 0.000 0.500 140 T N -4.147 110.386 114.554 -0.035 0.000 3.003 140 T HA 0.154 4.504 4.350 -0.000 0.000 0.261 140 T C 0.800 175.511 174.700 0.018 0.000 1.003 140 T CA 0.190 62.288 62.100 -0.004 0.000 0.917 140 T CB 0.178 69.058 68.868 0.020 0.000 1.084 140 T HN 0.159 nan 8.240 nan 0.000 0.522 141 S N 0.439 116.161 115.700 0.037 0.000 2.707 141 S HA 0.371 4.841 4.470 -0.000 0.000 0.276 141 S C 0.673 175.304 174.600 0.052 0.000 1.179 141 S CA -0.397 57.862 58.200 0.098 0.000 0.992 141 S CB 0.692 63.978 63.200 0.144 0.000 1.030 141 S HN 0.255 nan 8.310 nan 0.000 0.554 142 H N 0.140 119.230 119.070 0.033 0.000 2.521 142 H HA 0.216 4.772 4.556 -0.000 0.000 0.286 142 H C 1.275 176.632 175.328 0.049 0.000 1.034 142 H CA 1.227 57.283 56.048 0.014 0.000 1.278 142 H CB -0.434 29.329 29.762 0.001 0.000 1.386 142 H HN 0.418 nan 8.280 nan 0.000 0.567 143 L N -0.496 120.847 121.223 0.200 0.000 2.478 143 L HA 0.035 4.375 4.340 -0.000 0.000 0.223 143 L C 2.231 179.281 176.870 0.299 0.000 1.140 143 L CA 0.490 55.459 54.840 0.215 0.000 0.842 143 L CB -0.176 42.023 42.059 0.234 0.000 0.953 143 L HN 0.292 nan 8.230 nan 0.000 0.452 144 A N -0.899 122.031 122.820 0.184 0.000 2.167 144 A HA 0.042 4.362 4.320 -0.000 0.000 0.214 144 A C 1.185 178.804 177.584 0.059 0.000 1.151 144 A CA 0.292 52.383 52.037 0.089 0.000 0.735 144 A CB -0.139 18.843 19.000 -0.030 0.000 0.802 144 A HN 0.296 nan 8.150 nan 0.000 0.467 145 S N -0.112 115.624 115.700 0.060 0.000 2.525 145 S HA 0.548 5.018 4.470 -0.000 0.000 0.278 145 S C 0.437 175.072 174.600 0.058 0.000 1.234 145 S CA -0.211 58.008 58.200 0.031 0.000 1.058 145 S CB 1.539 64.740 63.200 0.002 0.000 0.983 145 S HN 0.542 nan 8.310 nan 0.000 0.495 146 G N 0.937 109.762 108.800 0.042 0.000 2.461 146 G HA2 0.497 4.457 3.960 -0.000 0.000 0.329 146 G HA3 0.497 4.457 3.960 -0.000 0.000 0.329 146 G C -0.546 174.383 174.900 0.049 0.000 1.170 146 G CA -0.668 44.466 45.100 0.057 0.000 0.935 146 G HN 0.565 nan 8.290 nan 0.000 0.492 147 T N 3.075 117.677 114.554 0.080 0.000 2.817 147 T HA 0.266 4.615 4.350 -0.000 0.000 0.295 147 T C -2.183 172.487 174.700 -0.049 0.000 0.958 147 T CA -0.268 61.880 62.100 0.079 0.000 1.157 147 T CB 0.957 69.938 68.868 0.189 0.000 0.898 147 T HN 0.183 nan 8.240 nan 0.000 0.536 148 P HA 0.161 nan 4.420 nan 0.000 0.265 148 P C 0.771 177.806 177.300 -0.442 0.000 1.193 148 P CA 0.112 63.132 63.100 -0.132 0.000 0.765 148 P CB 0.476 32.219 31.700 0.072 0.000 0.823 149 G N 1.398 109.921 108.800 -0.461 0.000 3.079 149 G HA2 -0.040 3.919 3.960 -0.000 0.000 0.233 149 G HA3 -0.040 3.919 3.960 -0.000 0.000 0.233 149 G C 1.157 175.958 174.900 -0.166 0.000 1.062 149 G CA 0.128 44.928 45.100 -0.501 0.000 0.809 149 G HN 0.340 nan 8.290 nan 0.000 0.535 150 T N 1.415 115.791 114.554 -0.295 0.000 2.635 150 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 150 T C 2.554 176.682 174.700 -0.954 0.000 1.040 150 T CA 1.713 63.391 62.100 -0.705 0.000 1.156 150 T CB -0.278 68.192 68.868 -0.663 0.000 0.863 150 T HN 0.035 nan 8.240 nan 0.000 0.430 151 V N 1.573 121.074 119.914 -0.689 0.000 2.332 151 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 151 V C 2.836 178.875 176.094 -0.091 0.000 1.055 151 V CA 1.717 63.780 62.300 -0.396 0.000 1.038 151 V CB -1.192 30.325 31.823 -0.509 0.000 0.651 151 V HN 0.558 nan 8.190 nan 0.000 0.450 152 A N 0.391 123.235 122.820 0.041 0.000 1.898 152 A HA -0.055 4.264 4.320 -0.000 0.000 0.216 152 A C 2.417 179.969 177.584 -0.054 0.000 1.181 152 A CA 1.855 53.917 52.037 0.042 0.000 0.620 152 A CB -1.141 17.870 19.000 0.018 0.000 0.819 152 A HN 0.519 nan 8.150 nan 0.000 0.442 153 G N -1.090 107.549 108.800 -0.268 0.000 2.402 153 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.216 153 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.216 153 G C 1.301 176.020 174.900 -0.302 0.000 1.162 153 G CA 1.044 45.881 45.100 -0.439 0.000 0.777 153 G HN 0.363 nan 8.290 nan 0.000 0.539 154 F N 1.718 121.379 119.950 -0.481 0.000 2.171 154 F HA 0.020 4.546 4.527 -0.000 0.000 0.300 154 F C 2.996 178.761 175.800 -0.059 0.000 1.090 154 F CA 0.828 58.681 58.000 -0.245 0.000 1.293 154 F CB -0.825 38.056 39.000 -0.198 0.000 1.013 154 F HN 0.106 nan 8.300 nan 0.000 0.486 155 S N 0.171 115.968 115.700 0.162 0.000 2.387 155 S HA -0.086 4.384 4.470 -0.000 0.000 0.226 155 S C 2.230 176.876 174.600 0.077 0.000 1.026 155 S CA 0.454 58.727 58.200 0.122 0.000 0.972 155 S CB -0.452 62.818 63.200 0.116 0.000 0.814 155 S HN 0.351 nan 8.310 nan 0.000 0.477 156 L N 1.201 122.463 121.223 0.065 0.000 2.017 156 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 156 L C 2.447 179.367 176.870 0.084 0.000 1.073 156 L CA 1.591 56.465 54.840 0.057 0.000 0.745 156 L CB -0.568 41.533 42.059 0.070 0.000 0.894 156 L HN 0.345 nan 8.230 nan 0.000 0.432 157 A N -0.319 122.588 122.820 0.144 0.000 1.873 157 A HA -0.233 4.087 4.320 -0.000 0.000 0.215 157 A C 2.149 179.830 177.584 0.160 0.000 1.186 157 A CA 1.816 53.989 52.037 0.226 0.000 0.616 157 A CB -0.899 18.234 19.000 0.221 0.000 0.823 157 A HN 0.464 nan 8.150 nan 0.000 0.442 158 L N 0.131 121.416 121.223 0.104 0.000 2.017 158 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 158 L C 1.683 178.568 176.870 0.026 0.000 1.073 158 L CA 2.521 57.398 54.840 0.063 0.000 0.745 158 L CB -0.586 41.506 42.059 0.055 0.000 0.894 158 L HN 0.353 nan 8.230 nan 0.000 0.432 159 D N -0.610 119.796 120.400 0.009 0.000 2.144 159 D HA -0.210 4.430 4.640 -0.000 0.000 0.199 159 D C 2.113 178.357 176.300 -0.092 0.000 0.984 159 D CA 1.399 55.381 54.000 -0.030 0.000 0.834 159 D CB -0.012 40.773 40.800 -0.025 0.000 0.955 159 D HN 0.394 nan 8.370 nan 0.000 0.465 160 K N -0.993 119.305 120.400 -0.169 0.000 2.166 160 K HA -0.036 4.284 4.320 -0.000 0.000 0.201 160 K C 0.961 177.233 176.600 -0.546 0.000 1.052 160 K CA 0.571 56.604 56.287 -0.422 0.000 0.969 160 K CB 0.252 32.359 32.500 -0.655 0.000 0.761 160 K HN 0.095 nan 8.250 nan 0.000 0.459 161 Y N -0.718 119.589 120.300 0.012 0.000 2.453 161 Y HA 0.341 4.891 4.550 -0.000 0.000 0.247 161 Y C 0.985 176.886 175.900 0.001 0.000 1.124 161 Y CA -0.338 57.766 58.100 0.007 0.000 1.243 161 Y CB 0.790 39.256 38.460 0.011 0.000 1.213 161 Y HN 0.013 nan 8.280 nan 0.000 0.523 162 G N -0.178 108.684 108.800 0.103 0.000 2.532 162 G HA2 0.408 4.368 3.960 -0.000 0.000 0.291 162 G HA3 0.408 4.368 3.960 -0.000 0.000 0.291 162 G C 0.770 175.687 174.900 0.029 0.000 1.349 162 G CA 0.300 45.436 45.100 0.060 0.000 1.038 162 G HN 0.156 nan 8.290 nan 0.000 0.518 163 T N -3.899 110.664 114.554 0.015 0.000 2.993 163 T HA 0.317 4.667 4.350 -0.000 0.000 0.260 163 T C 0.778 175.476 174.700 -0.003 0.000 0.939 163 T CA -0.106 61.997 62.100 0.005 0.000 0.886 163 T CB 0.009 68.881 68.868 0.007 0.000 1.209 163 T HN 0.247 nan 8.240 nan 0.000 0.518 164 M N 3.124 122.720 119.600 -0.006 0.000 2.409 164 M HA 0.516 4.996 4.480 -0.000 0.000 0.329 164 M C -2.466 173.823 176.300 -0.018 0.000 1.180 164 M CA -2.365 52.926 55.300 -0.014 0.000 1.053 164 M CB 1.442 34.031 32.600 -0.019 0.000 1.586 164 M HN -0.026 nan 8.290 nan 0.000 0.461 165 P HA 0.044 nan 4.420 nan 0.000 0.274 165 P C 0.301 177.574 177.300 -0.044 0.000 1.231 165 P CA -0.417 62.665 63.100 -0.029 0.000 0.790 165 P CB 0.956 32.637 31.700 -0.031 0.000 0.951 166 L N 3.073 124.269 121.223 -0.045 0.000 2.043 166 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 166 L C 2.238 179.029 176.870 -0.131 0.000 1.075 166 L CA 2.186 56.980 54.840 -0.077 0.000 0.752 166 L CB -1.381 40.647 42.059 -0.053 0.000 0.891 166 L HN 0.501 nan 8.230 nan 0.000 0.432 167 N N -1.159 117.476 118.700 -0.109 0.000 2.205 167 N HA -0.249 4.491 4.740 -0.000 0.000 0.186 167 N C 1.495 176.937 175.510 -0.113 0.000 1.015 167 N CA 1.341 54.314 53.050 -0.129 0.000 0.862 167 N CB -0.363 38.060 38.487 -0.107 0.000 0.986 167 N HN 0.340 nan 8.380 nan 0.000 0.429 168 K N 0.969 121.319 120.400 -0.083 0.000 2.103 168 K HA 0.015 4.334 4.320 -0.000 0.000 0.204 168 K C 2.213 178.774 176.600 -0.064 0.000 1.052 168 K CA 1.039 57.291 56.287 -0.059 0.000 0.945 168 K CB -0.525 31.951 32.500 -0.041 0.000 0.722 168 K HN 0.400 nan 8.250 nan 0.000 0.443 169 V N -2.102 117.759 119.914 -0.089 0.000 3.306 169 V HA 0.023 4.143 4.120 -0.000 0.000 0.264 169 V C 1.906 177.918 176.094 -0.138 0.000 1.149 169 V CA 0.560 62.808 62.300 -0.087 0.000 1.143 169 V CB -0.197 31.582 31.823 -0.073 0.000 0.767 169 V HN -0.140 nan 8.190 nan 0.000 0.476 170 V N -0.030 119.744 119.914 -0.232 0.000 2.992 170 V HA -0.056 4.064 4.120 -0.000 0.000 0.250 170 V C 2.520 178.568 176.094 -0.077 0.000 1.090 170 V CA 1.472 63.575 62.300 -0.329 0.000 1.101 170 V CB 0.266 31.781 31.823 -0.513 0.000 0.743 170 V HN 0.577 nan 8.190 nan 0.000 0.468 171 Q N 1.120 120.898 119.800 -0.035 0.000 2.096 171 Q HA -0.202 4.138 4.340 -0.000 0.000 0.208 171 Q C -0.232 175.849 176.000 0.135 0.000 0.993 171 Q CA 2.678 58.528 55.803 0.078 0.000 0.862 171 Q CB -1.478 27.285 28.738 0.041 0.000 0.915 171 Q HN 0.427 nan 8.270 nan 0.000 0.416 172 P HA -0.176 nan 4.420 nan 0.000 0.215 172 P C 0.722 178.069 177.300 0.077 0.000 1.157 172 P CA 2.258 65.394 63.100 0.060 0.000 0.874 172 P CB -0.355 31.364 31.700 0.031 0.000 0.790 173 A N -1.136 121.746 122.820 0.103 0.000 1.902 173 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 173 A C 2.118 179.797 177.584 0.157 0.000 1.181 173 A CA 1.424 53.542 52.037 0.134 0.000 0.623 173 A CB -1.872 17.253 19.000 0.208 0.000 0.818 173 A HN 0.153 nan 8.150 nan 0.000 0.443 174 F N 1.024 120.997 119.950 0.038 0.000 2.091 174 F HA -0.205 4.322 4.527 0.000 0.000 0.299 174 F C 2.060 177.888 175.800 0.048 0.000 1.103 174 F CA 2.266 60.288 58.000 0.037 0.000 1.228 174 F CB -0.341 38.662 39.000 0.004 0.000 0.984 174 F HN 0.156 nan 8.300 nan 0.000 0.477 175 K N 0.232 120.550 120.400 -0.135 0.000 2.057 175 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 175 K C 2.139 178.659 176.600 -0.133 0.000 1.049 175 K CA 1.803 57.960 56.287 -0.216 0.000 0.931 175 K CB -0.440 32.043 32.500 -0.029 0.000 0.714 175 K HN 0.346 nan 8.250 nan 0.000 0.440 176 L N 0.318 121.528 121.223 -0.020 0.000 2.083 176 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 176 L C 2.507 179.452 176.870 0.125 0.000 1.083 176 L CA 1.086 55.974 54.840 0.079 0.000 0.752 176 L CB -0.435 41.663 42.059 0.066 0.000 0.899 176 L HN 0.223 nan 8.230 nan 0.000 0.433 177 A N -0.240 122.604 122.820 0.040 0.000 1.897 177 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 177 A C 2.439 179.977 177.584 -0.077 0.000 1.181 177 A CA 1.293 53.354 52.037 0.040 0.000 0.620 177 A CB -0.438 18.599 19.000 0.062 0.000 0.821 177 A HN 0.300 nan 8.150 nan 0.000 0.443 178 R N -0.309 120.038 120.500 -0.255 0.000 2.062 178 R HA -0.133 4.207 4.340 -0.000 0.000 0.231 178 R C 0.996 177.195 176.300 -0.169 0.000 1.136 178 R CA 1.863 57.786 56.100 -0.296 0.000 0.948 178 R CB -0.255 29.671 30.300 -0.625 0.000 0.845 178 R HN 0.416 nan 8.270 nan 0.000 0.430 179 D N -0.649 119.664 120.400 -0.145 0.000 2.333 179 D HA 0.126 4.765 4.640 -0.000 0.000 0.208 179 D C 0.813 177.091 176.300 -0.038 0.000 0.984 179 D CA 1.103 55.057 54.000 -0.076 0.000 0.873 179 D CB 0.363 41.129 40.800 -0.057 0.000 0.935 179 D HN 0.504 nan 8.370 nan 0.000 0.521 180 G N 0.860 109.657 108.800 -0.006 0.000 2.781 180 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.683 180 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.683 180 G C -0.535 174.426 174.900 0.102 0.000 1.390 180 G CA -0.406 44.684 45.100 -0.017 0.000 0.850 180 G HN 0.270 nan 8.290 nan 0.000 0.557 181 F N -2.045 117.903 119.950 -0.003 0.000 2.662 181 F HA 0.823 5.350 4.527 -0.000 0.000 0.312 181 F C -0.144 175.665 175.800 0.015 0.000 1.113 181 F CA -2.006 55.999 58.000 0.008 0.000 0.951 181 F CB 0.979 39.991 39.000 0.021 0.000 1.344 181 F HN 0.562 nan 8.300 nan 0.000 0.462 182 I N 2.738 123.428 120.570 0.200 0.000 2.496 182 I HA 0.251 4.421 4.170 -0.000 0.000 0.285 182 I C -0.230 175.991 176.117 0.174 0.000 1.080 182 I CA -0.931 60.424 61.300 0.093 0.000 1.404 182 I CB 1.187 39.243 38.000 0.093 0.000 1.403 182 I HN 0.389 nan 8.210 nan 0.000 0.539 183 V N 7.209 127.146 119.914 0.039 0.000 2.479 183 V HA -0.015 4.105 4.120 -0.000 0.000 0.281 183 V C 0.450 176.611 176.094 0.113 0.000 1.031 183 V CA -0.313 62.044 62.300 0.096 0.000 1.038 183 V CB 0.086 31.917 31.823 0.012 0.000 0.981 183 V HN 0.886 nan 8.190 nan 0.000 0.478 184 N N 3.589 122.381 118.700 0.154 0.000 2.566 184 N HA 0.216 4.956 4.740 -0.000 0.000 0.299 184 N C 0.630 176.191 175.510 0.085 0.000 1.277 184 N CA -0.666 52.449 53.050 0.108 0.000 0.965 184 N CB 0.368 38.922 38.487 0.111 0.000 1.142 184 N HN 0.439 nan 8.380 nan 0.000 0.596 185 D N -0.648 119.793 120.400 0.069 0.000 2.097 185 D HA -0.133 4.507 4.640 -0.000 0.000 0.195 185 D C 1.701 178.046 176.300 0.074 0.000 0.989 185 D CA 1.829 55.864 54.000 0.059 0.000 0.827 185 D CB -0.330 40.499 40.800 0.048 0.000 0.966 185 D HN 0.652 nan 8.370 nan 0.000 0.456 186 A N 1.427 124.300 122.820 0.088 0.000 1.865 186 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 186 A C 2.198 179.854 177.584 0.119 0.000 1.191 186 A CA 1.237 53.339 52.037 0.108 0.000 0.623 186 A CB -0.843 18.231 19.000 0.123 0.000 0.826 186 A HN 0.214 nan 8.150 nan 0.000 0.444 187 L N -0.416 120.888 121.223 0.135 0.000 2.056 187 L HA -0.005 4.334 4.340 -0.000 0.000 0.207 187 L C 2.715 179.644 176.870 0.098 0.000 1.078 187 L CA 2.175 57.096 54.840 0.134 0.000 0.749 187 L CB -0.961 41.219 42.059 0.203 0.000 0.901 187 L HN 0.369 nan 8.230 nan 0.000 0.433 188 A N -0.631 122.236 122.820 0.079 0.000 1.883 188 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 188 A C 1.993 179.598 177.584 0.036 0.000 1.186 188 A CA 2.022 54.081 52.037 0.037 0.000 0.624 188 A CB -0.880 18.133 19.000 0.021 0.000 0.822 188 A HN 0.544 nan 8.150 nan 0.000 0.444 189 D N 0.155 120.589 120.400 0.057 0.000 2.117 189 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 189 D C 1.329 177.693 176.300 0.108 0.000 0.982 189 D CA 1.344 55.382 54.000 0.063 0.000 0.828 189 D CB -0.450 40.393 40.800 0.072 0.000 0.967 189 D HN 0.391 nan 8.370 nan 0.000 0.464 190 D N 0.319 120.808 120.400 0.148 0.000 2.144 190 D HA -0.058 4.582 4.640 -0.000 0.000 0.200 190 D C 2.391 178.814 176.300 0.205 0.000 0.978 190 D CA 0.250 54.397 54.000 0.245 0.000 0.833 190 D CB -0.173 40.704 40.800 0.128 0.000 0.961 190 D HN 0.220 nan 8.370 nan 0.000 0.470 191 L N 0.609 121.906 121.223 0.122 0.000 2.046 191 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 191 L C 2.512 179.478 176.870 0.160 0.000 1.077 191 L CA 1.182 56.105 54.840 0.138 0.000 0.747 191 L CB -0.244 41.856 42.059 0.068 0.000 0.896 191 L HN -0.020 nan 8.230 nan 0.000 0.432 192 K N -0.742 119.694 120.400 0.060 0.000 2.062 192 K HA -0.122 4.197 4.320 -0.000 0.000 0.205 192 K C 1.984 178.610 176.600 0.044 0.000 1.051 192 K CA 1.669 57.977 56.287 0.035 0.000 0.941 192 K CB 0.076 32.562 32.500 -0.023 0.000 0.719 192 K HN 0.181 nan 8.250 nan 0.000 0.440 193 T N -0.362 114.185 114.554 -0.011 0.000 2.809 193 T HA -0.050 4.300 4.350 -0.000 0.000 0.260 193 T C 1.373 175.902 174.700 -0.284 0.000 1.039 193 T CA 1.230 63.212 62.100 -0.197 0.000 1.141 193 T CB -0.211 68.438 68.868 -0.366 0.000 0.869 193 T HN 0.255 nan 8.240 nan 0.000 0.437 194 Y N 0.509 120.831 120.300 0.037 0.000 2.464 194 Y HA 0.351 4.901 4.550 -0.000 0.000 0.288 194 Y C 2.767 178.685 175.900 0.030 0.000 1.133 194 Y CA 0.051 58.161 58.100 0.017 0.000 1.223 194 Y CB -0.734 37.718 38.460 -0.013 0.000 1.187 194 Y HN 0.216 nan 8.280 nan 0.000 0.539 195 G N -0.433 108.507 108.800 0.235 0.000 2.442 195 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 195 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 195 G C 1.745 176.756 174.900 0.186 0.000 1.141 195 G CA 1.355 46.577 45.100 0.204 0.000 0.763 195 G HN 0.330 nan 8.290 nan 0.000 0.554 196 S N 0.462 116.359 115.700 0.327 0.000 2.442 196 S HA -0.079 4.391 4.470 -0.000 0.000 0.236 196 S C 2.037 176.648 174.600 0.018 0.000 1.007 196 S CA 1.220 59.577 58.200 0.262 0.000 0.965 196 S CB -0.134 63.242 63.200 0.294 0.000 0.773 196 S HN 0.626 nan 8.310 nan 0.000 0.504 197 E N 0.252 120.461 120.200 0.014 0.000 2.285 197 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 197 E C 1.763 178.327 176.600 -0.059 0.000 0.997 197 E CA 1.206 57.594 56.400 -0.020 0.000 0.845 197 E CB 0.171 29.876 29.700 0.008 0.000 0.782 197 E HN 0.601 nan 8.360 nan 0.000 0.491 198 V N -3.709 116.156 119.914 -0.082 0.000 3.193 198 V HA 0.072 4.192 4.120 -0.000 0.000 0.237 198 V C 1.869 177.893 176.094 -0.116 0.000 1.447 198 V CA -0.216 62.040 62.300 -0.074 0.000 1.227 198 V CB -0.413 31.413 31.823 0.003 0.000 1.040 198 V HN 0.050 nan 8.190 nan 0.000 0.458 199 L N 1.580 122.682 121.223 -0.202 0.000 2.012 199 L HA -0.012 4.328 4.340 -0.000 0.000 0.210 199 L C 0.060 176.675 176.870 -0.426 0.000 1.073 199 L CA 2.443 57.140 54.840 -0.238 0.000 0.748 199 L CB -1.761 40.159 42.059 -0.232 0.000 0.891 199 L HN 0.374 nan 8.230 nan 0.000 0.431 200 P HA -0.107 nan 4.420 nan 0.000 0.237 200 P C 0.445 177.489 177.300 -0.425 0.000 1.178 200 P CA 1.143 63.770 63.100 -0.789 0.000 0.766 200 P CB -0.281 30.748 31.700 -1.117 0.000 0.876 201 N N -1.148 117.301 118.700 -0.418 0.000 2.461 201 N HA -0.021 4.719 4.740 -0.000 0.000 0.188 201 N C 0.080 175.178 175.510 -0.686 0.000 1.134 201 N CA 0.121 52.867 53.050 -0.507 0.000 0.878 201 N CB -0.085 38.057 38.487 -0.575 0.000 0.972 201 N HN 0.310 nan 8.380 nan 0.000 0.456 202 H N -0.316 118.699 119.070 -0.090 0.000 2.744 202 H HA 0.101 4.657 4.556 -0.000 0.000 0.339 202 H C 0.342 175.654 175.328 -0.027 0.000 1.004 202 H CA -0.456 55.572 56.048 -0.033 0.000 1.257 202 H CB 2.182 31.934 29.762 -0.016 0.000 1.552 202 H HN -0.036 nan 8.280 nan 0.000 0.522 203 E N 2.803 123.051 120.200 0.080 0.000 2.086 203 E HA -0.248 4.102 4.350 -0.000 0.000 0.200 203 E C 1.363 177.999 176.600 0.061 0.000 1.012 203 E CA 2.394 58.822 56.400 0.048 0.000 0.812 203 E CB 0.207 29.931 29.700 0.039 0.000 0.743 203 E HN 0.733 nan 8.360 nan 0.000 0.453 204 N N -0.686 118.062 118.700 0.080 0.000 2.142 204 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 204 N C 1.730 177.291 175.510 0.084 0.000 1.023 204 N CA 1.609 54.698 53.050 0.065 0.000 0.852 204 N CB -0.678 37.844 38.487 0.058 0.000 0.998 204 N HN -0.032 nan 8.380 nan 0.000 0.424 205 S N 0.304 116.086 115.700 0.137 0.000 2.368 205 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 205 S C 1.664 176.399 174.600 0.225 0.000 1.029 205 S CA 0.837 59.175 58.200 0.231 0.000 0.988 205 S CB -0.276 63.059 63.200 0.226 0.000 0.838 205 S HN 0.407 nan 8.310 nan 0.000 0.462 206 K N 1.532 121.995 120.400 0.104 0.000 2.063 206 K HA -0.074 4.246 4.320 -0.000 0.000 0.208 206 K C 2.173 178.861 176.600 0.147 0.000 1.048 206 K CA 1.228 57.562 56.287 0.079 0.000 0.928 206 K CB -0.349 32.134 32.500 -0.029 0.000 0.713 206 K HN 0.316 nan 8.250 nan 0.000 0.442 207 A N 0.837 123.702 122.820 0.076 0.000 2.019 207 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 207 A C 1.935 179.509 177.584 -0.016 0.000 1.164 207 A CA 1.264 53.324 52.037 0.038 0.000 0.644 207 A CB -0.318 18.690 19.000 0.014 0.000 0.805 207 A HN 0.341 nan 8.150 nan 0.000 0.449 208 I N -2.957 117.561 120.570 -0.086 0.000 2.556 208 I HA 0.010 4.180 4.170 -0.000 0.000 0.251 208 I C 1.569 177.445 176.117 -0.401 0.000 1.105 208 I CA 0.754 61.846 61.300 -0.347 0.000 1.436 208 I CB -0.059 37.537 38.000 -0.674 0.000 1.139 208 I HN 0.257 nan 8.210 nan 0.000 0.438 209 F N -0.840 119.220 119.950 0.184 0.000 2.746 209 F HA 0.139 4.666 4.527 -0.000 0.000 0.297 209 F C 0.883 176.923 175.800 0.400 0.000 1.113 209 F CA -0.147 58.011 58.000 0.264 0.000 1.367 209 F CB 0.002 39.199 39.000 0.329 0.000 1.111 209 F HN -0.005 nan 8.300 nan 0.000 0.590 210 W N 1.376 122.749 121.300 0.121 0.000 2.570 210 W HA 0.452 5.112 4.660 0.000 0.000 0.337 210 W C -0.342 176.191 176.519 0.023 0.000 1.067 210 W CA -1.047 56.342 57.345 0.073 0.000 1.229 210 W CB 1.668 31.169 29.460 0.069 0.000 1.355 210 W HN -0.417 nan 8.180 nan 0.000 0.555 211 K N 3.019 123.432 120.400 0.022 0.000 2.578 211 K HA 0.068 4.388 4.320 -0.000 0.000 0.250 211 K C -0.225 176.371 176.600 -0.006 0.000 0.955 211 K CA -0.233 56.055 56.287 0.002 0.000 0.825 211 K CB 0.969 33.435 32.500 -0.057 0.000 1.151 211 K HN 0.622 nan 8.250 nan 0.000 0.432 212 E N 2.647 122.874 120.200 0.046 0.000 2.183 212 E HA -0.288 4.062 4.350 -0.000 0.000 0.196 212 E C 0.427 177.063 176.600 0.060 0.000 1.364 212 E CA 0.760 57.187 56.400 0.045 0.000 0.700 212 E CB -2.252 27.454 29.700 0.010 0.000 1.106 212 E HN 1.084 nan 8.360 nan 0.000 0.347 213 G N -0.258 108.636 108.800 0.156 0.000 2.184 213 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.264 213 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.264 213 G C 0.018 175.022 174.900 0.174 0.000 0.975 213 G CA 0.801 46.032 45.100 0.218 0.000 0.642 213 G HN 0.531 nan 8.290 nan 0.000 0.536 214 E N 0.405 120.525 120.200 -0.133 0.000 2.343 214 E HA 0.467 4.817 4.350 -0.000 0.000 0.270 214 E C -2.716 173.189 176.600 -1.158 0.000 0.895 214 E CA -1.847 54.257 56.400 -0.493 0.000 0.767 214 E CB 2.646 32.190 29.700 -0.260 0.000 1.248 214 E HN 0.162 nan 8.360 nan 0.000 0.440 215 P HA 0.140 nan 4.420 nan 0.000 0.272 215 P C 0.170 177.102 177.300 -0.612 0.000 1.223 215 P CA -0.262 61.903 63.100 -1.558 0.000 0.784 215 P CB 0.813 31.685 31.700 -1.380 0.000 0.923 216 L N 1.981 123.002 121.223 -0.337 0.000 2.506 216 L HA 0.060 4.400 4.340 -0.000 0.000 0.281 216 L C 1.324 178.104 176.870 -0.150 0.000 1.228 216 L CA 0.463 55.201 54.840 -0.171 0.000 0.850 216 L CB -0.267 41.749 42.059 -0.072 0.000 1.110 216 L HN 0.304 nan 8.230 nan 0.000 0.496 217 K N 2.326 122.658 120.400 -0.114 0.000 2.258 217 K HA 0.333 4.653 4.320 -0.000 0.000 0.236 217 K C -0.581 175.993 176.600 -0.044 0.000 1.008 217 K CA -1.096 55.142 56.287 -0.081 0.000 0.869 217 K CB 1.091 33.542 32.500 -0.082 0.000 1.171 217 K HN 0.340 nan 8.250 nan 0.000 0.447 218 K N 0.202 120.589 120.400 -0.022 0.000 2.484 218 K HA 0.043 4.363 4.320 -0.000 0.000 0.280 218 K C 0.693 177.288 176.600 -0.008 0.000 1.013 218 K CA 1.490 57.777 56.287 -0.000 0.000 1.029 218 K CB -0.172 32.334 32.500 0.009 0.000 0.902 218 K HN 0.768 nan 8.250 nan 0.000 0.481 219 G N 3.270 112.070 108.800 0.000 0.000 2.279 219 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.223 219 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.223 219 G C -0.234 174.652 174.900 -0.023 0.000 1.015 219 G CA 0.082 45.179 45.100 -0.006 0.000 0.621 219 G HN 0.701 nan 8.290 nan 0.000 0.506 220 D N 1.216 121.592 120.400 -0.041 0.000 2.361 220 D HA 0.516 5.156 4.640 -0.000 0.000 0.239 220 D C 0.422 176.667 176.300 -0.092 0.000 1.200 220 D CA 0.768 54.729 54.000 -0.065 0.000 0.915 220 D CB 0.717 41.470 40.800 -0.078 0.000 1.170 220 D HN 0.115 nan 8.370 nan 0.000 0.444 221 T N 1.280 115.765 114.554 -0.114 0.000 2.771 221 T HA 0.363 4.713 4.350 -0.000 0.000 0.281 221 T C -0.378 174.177 174.700 -0.242 0.000 0.982 221 T CA -0.596 61.403 62.100 -0.168 0.000 0.978 221 T CB 0.723 69.522 68.868 -0.115 0.000 0.930 221 T HN 0.089 nan 8.240 nan 0.000 0.447 222 L N 6.185 127.144 121.223 -0.440 0.000 2.262 222 L HA 0.611 4.951 4.340 -0.000 0.000 0.288 222 L C -0.881 175.740 176.870 -0.414 0.000 1.035 222 L CA -0.349 54.214 54.840 -0.462 0.000 0.820 222 L CB 0.531 42.210 42.059 -0.633 0.000 1.204 222 L HN 0.389 nan 8.230 nan 0.000 0.424 223 V N 5.508 125.278 119.914 -0.240 0.000 2.435 223 V HA 0.456 4.576 4.120 -0.000 0.000 0.290 223 V C -0.161 175.848 176.094 -0.142 0.000 1.030 223 V CA -0.487 61.719 62.300 -0.156 0.000 0.881 223 V CB 1.582 33.335 31.823 -0.117 0.000 0.983 223 V HN 0.746 nan 8.190 nan 0.000 0.445 224 Q N 2.914 122.664 119.800 -0.084 0.000 2.907 224 Q HA 0.451 4.790 4.340 -0.000 0.000 0.262 224 Q C 0.942 176.922 176.000 -0.032 0.000 0.997 224 Q CA -0.244 55.517 55.803 -0.070 0.000 0.797 224 Q CB 1.508 30.240 28.738 -0.009 0.000 1.228 224 Q HN 0.923 nan 8.270 nan 0.000 0.466 225 A N 1.667 124.460 122.820 -0.044 0.000 1.908 225 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 225 A C 1.644 179.238 177.584 0.018 0.000 1.181 225 A CA 1.712 53.739 52.037 -0.018 0.000 0.627 225 A CB -0.130 18.856 19.000 -0.023 0.000 0.818 225 A HN 0.473 nan 8.150 nan 0.000 0.445 226 N N -0.330 118.375 118.700 0.009 0.000 2.120 226 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 226 N C 1.544 177.092 175.510 0.063 0.000 1.024 226 N CA 1.408 54.476 53.050 0.030 0.000 0.852 226 N CB -0.579 37.916 38.487 0.014 0.000 1.003 226 N HN 0.401 nan 8.380 nan 0.000 0.424 227 L N 0.980 122.243 121.223 0.068 0.000 2.083 227 L HA 0.006 4.346 4.340 -0.000 0.000 0.209 227 L C 1.994 178.956 176.870 0.154 0.000 1.083 227 L CA 1.384 56.293 54.840 0.114 0.000 0.752 227 L CB -0.911 41.222 42.059 0.123 0.000 0.899 227 L HN 0.134 nan 8.230 nan 0.000 0.433 228 A N -0.492 122.407 122.820 0.132 0.000 1.902 228 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 228 A C 2.348 180.130 177.584 0.331 0.000 1.181 228 A CA 1.967 54.126 52.037 0.204 0.000 0.623 228 A CB -0.622 18.391 19.000 0.021 0.000 0.818 228 A HN 0.421 nan 8.150 nan 0.000 0.443 229 K N 0.464 120.987 120.400 0.205 0.000 2.057 229 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 229 K C 2.137 178.815 176.600 0.130 0.000 1.049 229 K CA 2.080 58.466 56.287 0.164 0.000 0.931 229 K CB -0.609 31.950 32.500 0.098 0.000 0.714 229 K HN 0.353 nan 8.250 nan 0.000 0.440 230 S N 0.609 116.387 115.700 0.129 0.000 2.368 230 S HA -0.078 4.392 4.470 -0.000 0.000 0.225 230 S C 1.823 176.509 174.600 0.145 0.000 1.030 230 S CA 1.451 59.725 58.200 0.123 0.000 0.999 230 S CB -0.337 62.944 63.200 0.136 0.000 0.844 230 S HN 0.264 nan 8.310 nan 0.000 0.459 231 L N 1.186 122.524 121.223 0.191 0.000 2.046 231 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 231 L C 2.709 179.595 176.870 0.028 0.000 1.077 231 L CA 1.400 56.345 54.840 0.175 0.000 0.747 231 L CB -0.517 41.712 42.059 0.283 0.000 0.896 231 L HN 0.397 nan 8.230 nan 0.000 0.432 232 E N 0.105 120.304 120.200 -0.002 0.000 2.085 232 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 232 E C 2.291 178.797 176.600 -0.157 0.000 0.994 232 E CA 1.290 57.517 56.400 -0.289 0.000 0.801 232 E CB 0.107 29.666 29.700 -0.236 0.000 0.743 232 E HN 0.317 nan 8.360 nan 0.000 0.453 233 M N 0.372 119.946 119.600 -0.043 0.000 2.254 233 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 233 M C 2.241 178.538 176.300 -0.005 0.000 1.066 233 M CA 0.721 56.009 55.300 -0.020 0.000 1.123 233 M CB -0.510 32.098 32.600 0.012 0.000 1.388 233 M HN 0.233 nan 8.290 nan 0.000 0.425 234 I N 0.417 120.999 120.570 0.020 0.000 2.252 234 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 234 I C 2.531 178.633 176.117 -0.026 0.000 1.102 234 I CA 1.281 62.607 61.300 0.044 0.000 1.385 234 I CB -1.435 36.628 38.000 0.106 0.000 1.064 234 I HN 0.149 nan 8.210 nan 0.000 0.414 235 A N 0.355 123.116 122.820 -0.097 0.000 1.930 235 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 235 A C 2.227 179.750 177.584 -0.102 0.000 1.175 235 A CA 1.387 53.340 52.037 -0.139 0.000 0.627 235 A CB -0.411 18.460 19.000 -0.215 0.000 0.815 235 A HN 0.488 nan 8.150 nan 0.000 0.443 236 E N -0.537 119.607 120.200 -0.093 0.000 2.086 236 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 236 E C 1.384 177.964 176.600 -0.032 0.000 0.975 236 E CA 1.115 57.474 56.400 -0.068 0.000 0.813 236 E CB -0.150 29.506 29.700 -0.073 0.000 0.768 236 E HN 0.749 nan 8.360 nan 0.000 0.457 237 N N -0.158 118.534 118.700 -0.013 0.000 2.325 237 N HA 0.109 4.849 4.740 -0.000 0.000 0.182 237 N C 0.424 175.953 175.510 0.032 0.000 1.088 237 N CA 0.148 53.206 53.050 0.012 0.000 0.879 237 N CB 1.100 39.601 38.487 0.023 0.000 0.983 237 N HN 0.098 nan 8.380 nan 0.000 0.471 238 G N 1.361 110.180 108.800 0.032 0.000 2.728 238 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.294 238 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.294 238 G C -2.103 172.865 174.900 0.113 0.000 1.342 238 G CA -0.526 44.609 45.100 0.058 0.000 0.866 238 G HN -0.037 nan 8.290 nan 0.000 0.534 239 P HA -0.018 nan 4.420 nan 0.000 0.223 239 P C 0.876 178.372 177.300 0.327 0.000 1.144 239 P CA 1.643 64.896 63.100 0.255 0.000 0.783 239 P CB -0.008 31.848 31.700 0.261 0.000 0.771 240 D N 0.356 120.893 120.400 0.228 0.000 2.263 240 D HA -0.168 4.472 4.640 -0.000 0.000 0.208 240 D C 1.932 178.336 176.300 0.173 0.000 0.971 240 D CA 0.995 55.125 54.000 0.215 0.000 0.867 240 D CB -0.296 40.583 40.800 0.132 0.000 0.929 240 D HN 0.267 nan 8.370 nan 0.000 0.492 241 E N 0.132 120.418 120.200 0.142 0.000 2.085 241 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 241 E C 1.817 178.456 176.600 0.064 0.000 0.994 241 E CA 0.862 57.316 56.400 0.089 0.000 0.801 241 E CB -0.492 29.258 29.700 0.084 0.000 0.743 241 E HN 0.314 nan 8.360 nan 0.000 0.453 242 F N -0.914 118.999 119.950 -0.062 0.000 2.163 242 F HA -0.062 4.465 4.527 -0.000 0.000 0.297 242 F C 1.322 176.895 175.800 -0.377 0.000 1.094 242 F CA 1.227 59.070 58.000 -0.262 0.000 1.290 242 F CB -0.045 38.692 39.000 -0.438 0.000 1.017 242 F HN 0.060 nan 8.300 nan 0.000 0.483 243 Y N -0.403 120.040 120.300 0.240 0.000 2.500 243 Y HA 0.172 4.722 4.550 -0.000 0.000 0.270 243 Y C 1.668 177.607 175.900 0.065 0.000 1.134 243 Y CA 0.514 58.712 58.100 0.162 0.000 1.293 243 Y CB 0.027 38.628 38.460 0.235 0.000 1.063 243 Y HN -0.029 nan 8.280 nan 0.000 0.534 244 K N -1.664 118.824 120.400 0.147 0.000 2.574 244 K HA 0.246 4.566 4.320 -0.000 0.000 0.215 244 K C 1.241 177.860 176.600 0.033 0.000 1.485 244 K CA 0.377 56.718 56.287 0.090 0.000 1.006 244 K CB 0.814 33.378 32.500 0.107 0.000 1.254 244 K HN 0.160 nan 8.250 nan 0.000 0.580 245 G N 0.435 109.245 108.800 0.015 0.000 2.582 245 G HA2 0.020 3.980 3.960 -0.000 0.000 0.232 245 G HA3 0.020 3.980 3.960 -0.000 0.000 0.232 245 G C 0.864 175.740 174.900 -0.040 0.000 1.458 245 G CA -0.029 45.068 45.100 -0.004 0.000 1.062 245 G HN -0.100 nan 8.290 nan 0.000 0.566 246 T N 0.396 114.929 114.554 -0.034 0.000 2.699 246 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 246 T C 2.437 177.085 174.700 -0.087 0.000 1.036 246 T CA 1.515 63.588 62.100 -0.045 0.000 1.147 246 T CB -0.323 68.530 68.868 -0.025 0.000 0.862 246 T HN 0.315 nan 8.240 nan 0.000 0.446 247 I N 1.293 121.791 120.570 -0.120 0.000 2.208 247 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 247 I C 2.915 178.833 176.117 -0.333 0.000 1.097 247 I CA 1.180 62.345 61.300 -0.225 0.000 1.363 247 I CB -0.535 37.292 38.000 -0.288 0.000 1.051 247 I HN 0.194 nan 8.210 nan 0.000 0.413 248 A N 0.431 123.059 122.820 -0.320 0.000 1.908 248 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 248 A C 2.234 179.717 177.584 -0.168 0.000 1.181 248 A CA 2.227 54.093 52.037 -0.286 0.000 0.627 248 A CB -0.590 18.318 19.000 -0.154 0.000 0.818 248 A HN 0.424 nan 8.150 nan 0.000 0.445 249 E N 0.035 120.168 120.200 -0.112 0.000 2.106 249 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 249 E C 2.131 178.686 176.600 -0.075 0.000 0.984 249 E CA 1.642 57.999 56.400 -0.071 0.000 0.806 249 E CB -0.322 29.350 29.700 -0.047 0.000 0.750 249 E HN 0.729 nan 8.360 nan 0.000 0.458 250 Q N -0.355 119.389 119.800 -0.093 0.000 2.170 250 Q HA -0.102 4.238 4.340 -0.000 0.000 0.203 250 Q C 2.232 178.184 176.000 -0.080 0.000 0.976 250 Q CA 1.394 57.152 55.803 -0.075 0.000 0.858 250 Q CB -0.070 28.623 28.738 -0.074 0.000 0.907 250 Q HN 0.398 nan 8.270 nan 0.000 0.433 251 I N 0.385 120.878 120.570 -0.129 0.000 2.233 251 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 251 I C 2.412 178.493 176.117 -0.060 0.000 1.093 251 I CA 0.851 62.083 61.300 -0.113 0.000 1.380 251 I CB -0.359 37.521 38.000 -0.200 0.000 1.067 251 I HN 0.131 nan 8.210 nan 0.000 0.413 252 A N 0.071 122.853 122.820 -0.063 0.000 1.933 252 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 252 A C 2.317 179.886 177.584 -0.024 0.000 1.175 252 A CA 1.915 53.933 52.037 -0.032 0.000 0.628 252 A CB -0.710 18.273 19.000 -0.029 0.000 0.814 252 A HN 0.527 nan 8.150 nan 0.000 0.444 253 Q N -0.668 119.113 119.800 -0.030 0.000 2.046 253 Q HA -0.244 4.096 4.340 -0.000 0.000 0.200 253 Q C 2.046 178.032 176.000 -0.023 0.000 0.975 253 Q CA 1.874 57.662 55.803 -0.026 0.000 0.836 253 Q CB -0.177 28.546 28.738 -0.025 0.000 0.896 253 Q HN 0.645 nan 8.270 nan 0.000 0.428 254 E N 0.074 120.267 120.200 -0.011 0.000 2.097 254 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 254 E C 1.875 178.475 176.600 0.000 0.000 1.000 254 E CA 1.772 58.181 56.400 0.015 0.000 0.804 254 E CB -0.091 29.640 29.700 0.050 0.000 0.740 254 E HN 0.348 nan 8.360 nan 0.000 0.454 255 M N 0.072 119.684 119.600 0.020 0.000 2.099 255 M HA -0.128 4.351 4.480 -0.000 0.000 0.262 255 M C 2.460 178.727 176.300 -0.055 0.000 1.067 255 M CA 1.788 57.096 55.300 0.014 0.000 1.124 255 M CB -1.110 31.511 32.600 0.035 0.000 1.353 255 M HN 0.325 nan 8.290 nan 0.000 0.410 256 Q N 0.727 120.503 119.800 -0.041 0.000 2.096 256 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 256 Q C 2.048 178.007 176.000 -0.069 0.000 0.982 256 Q CA 1.902 57.678 55.803 -0.045 0.000 0.850 256 Q CB -0.087 28.633 28.738 -0.030 0.000 0.901 256 Q HN 0.427 nan 8.270 nan 0.000 0.422 257 K N -0.354 119.998 120.400 -0.080 0.000 2.209 257 K HA -0.098 4.222 4.320 -0.000 0.000 0.204 257 K C 0.569 177.082 176.600 -0.145 0.000 1.048 257 K CA 1.310 57.544 56.287 -0.089 0.000 0.940 257 K CB 0.193 32.652 32.500 -0.069 0.000 0.729 257 K HN 0.257 nan 8.250 nan 0.000 0.451 258 N N -0.488 118.057 118.700 -0.258 0.000 2.282 258 N HA 0.082 4.822 4.740 -0.000 0.000 0.240 258 N C -0.000 175.336 175.510 -0.289 0.000 1.182 258 N CA 0.685 53.494 53.050 -0.402 0.000 0.874 258 N CB 1.556 39.427 38.487 -1.027 0.000 1.126 258 N HN 0.372 nan 8.380 nan 0.000 0.516 259 G N 0.475 109.186 108.800 -0.149 0.000 2.143 259 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.248 259 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.248 259 G C 0.524 175.411 174.900 -0.021 0.000 0.991 259 G CA 0.143 45.203 45.100 -0.066 0.000 0.689 259 G HN 0.532 nan 8.290 nan 0.000 0.522 260 G N -1.307 107.480 108.800 -0.022 0.000 2.580 260 G HA2 0.596 4.556 3.960 -0.000 0.000 0.278 260 G HA3 0.596 4.556 3.960 -0.000 0.000 0.278 260 G C 1.030 175.950 174.900 0.032 0.000 1.212 260 G CA -0.273 44.866 45.100 0.065 0.000 0.939 260 G HN 0.533 nan 8.290 nan 0.000 0.513 261 L N -0.423 120.826 121.223 0.043 0.000 2.642 261 L HA 0.313 4.652 4.340 -0.000 0.000 0.233 261 L C 0.768 177.657 176.870 0.031 0.000 1.077 261 L CA -0.110 54.745 54.840 0.025 0.000 0.879 261 L CB -0.042 42.026 42.059 0.015 0.000 1.151 261 L HN 0.309 nan 8.230 nan 0.000 0.495 262 I N 1.858 122.453 120.570 0.042 0.000 2.742 262 I HA -0.042 4.128 4.170 -0.000 0.000 0.287 262 I C 0.849 176.983 176.117 0.029 0.000 1.186 262 I CA 0.470 61.795 61.300 0.042 0.000 1.417 262 I CB 0.406 38.430 38.000 0.040 0.000 1.377 262 I HN 0.226 nan 8.210 nan 0.000 0.556 263 T N 2.241 116.816 114.554 0.036 0.000 2.927 263 T HA 0.377 4.727 4.350 -0.000 0.000 0.286 263 T C 0.829 175.549 174.700 0.033 0.000 1.040 263 T CA -0.997 61.119 62.100 0.026 0.000 1.010 263 T CB 1.841 70.725 68.868 0.028 0.000 1.177 263 T HN 0.473 nan 8.240 nan 0.000 0.546 264 K N 0.054 120.468 120.400 0.024 0.000 2.148 264 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 264 K C 2.121 178.758 176.600 0.062 0.000 1.050 264 K CA 1.392 57.698 56.287 0.032 0.000 0.942 264 K CB -0.134 32.378 32.500 0.019 0.000 0.724 264 K HN 0.786 nan 8.250 nan 0.000 0.446 265 E N 1.129 121.362 120.200 0.055 0.000 2.110 265 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 265 E C 1.375 178.029 176.600 0.090 0.000 0.988 265 E CA 1.264 57.703 56.400 0.064 0.000 0.804 265 E CB 0.201 29.930 29.700 0.048 0.000 0.745 265 E HN 0.185 nan 8.360 nan 0.000 0.458 266 D N 0.313 120.771 120.400 0.097 0.000 2.097 266 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 266 D C 2.124 178.546 176.300 0.204 0.000 0.989 266 D CA 0.873 54.953 54.000 0.134 0.000 0.827 266 D CB -0.144 40.728 40.800 0.121 0.000 0.966 266 D HN 0.259 nan 8.370 nan 0.000 0.456 267 L N 0.797 122.142 121.223 0.203 0.000 2.083 267 L HA -0.128 4.211 4.340 -0.000 0.000 0.209 267 L C 2.523 179.610 176.870 0.363 0.000 1.083 267 L CA 1.142 56.183 54.840 0.335 0.000 0.752 267 L CB -0.338 41.844 42.059 0.206 0.000 0.899 267 L HN -0.042 nan 8.230 nan 0.000 0.433 268 A N -0.362 122.587 122.820 0.215 0.000 2.014 268 A HA -0.000 4.320 4.320 -0.000 0.000 0.218 268 A C 2.366 180.017 177.584 0.112 0.000 1.163 268 A CA 1.411 53.545 52.037 0.161 0.000 0.652 268 A CB -0.476 18.588 19.000 0.107 0.000 0.808 268 A HN 0.380 nan 8.150 nan 0.000 0.449 269 A N -1.988 120.903 122.820 0.118 0.000 2.178 269 A HA 0.275 4.595 4.320 -0.000 0.000 0.211 269 A C 0.818 178.424 177.584 0.038 0.000 1.157 269 A CA -0.182 51.896 52.037 0.068 0.000 0.780 269 A CB -0.438 18.606 19.000 0.073 0.000 0.828 269 A HN 0.509 nan 8.150 nan 0.000 0.476 270 Y N 1.961 122.270 120.300 0.014 0.000 2.578 270 Y HA 0.309 4.859 4.550 -0.000 0.000 0.339 270 Y C 0.423 176.237 175.900 -0.143 0.000 1.231 270 Y CA 0.602 58.683 58.100 -0.033 0.000 1.461 270 Y CB 0.477 38.941 38.460 0.007 0.000 1.323 270 Y HN 0.377 nan 8.280 nan 0.000 0.590 271 K N 3.949 123.628 120.400 -1.201 0.000 2.543 271 K HA 0.802 5.122 4.320 -0.000 0.000 0.255 271 K C -1.925 174.263 176.600 -0.687 0.000 0.934 271 K CA -0.926 54.960 56.287 -0.669 0.000 0.810 271 K CB 1.280 33.582 32.500 -0.330 0.000 1.315 271 K HN 0.658 nan 8.250 nan 0.000 0.433 272 A N 2.183 124.879 122.820 -0.206 0.000 2.340 272 A HA 0.565 4.885 4.320 -0.000 0.000 0.268 272 A C -0.474 177.106 177.584 -0.007 0.000 1.100 272 A CA -0.616 51.438 52.037 0.029 0.000 0.803 272 A CB 0.753 19.843 19.000 0.149 0.000 1.043 272 A HN 0.446 nan 8.150 nan 0.000 0.488 273 V N 2.315 122.262 119.914 0.055 0.000 2.444 273 V HA 0.299 4.419 4.120 -0.000 0.000 0.294 273 V C 0.038 176.182 176.094 0.084 0.000 1.022 273 V CA -0.591 61.733 62.300 0.039 0.000 0.850 273 V CB 1.423 33.255 31.823 0.014 0.000 0.992 273 V HN 1.037 nan 8.190 nan 0.000 0.426 274 E N 5.115 125.358 120.200 0.072 0.000 2.259 274 E HA 0.485 4.835 4.350 -0.000 0.000 0.281 274 E C -0.356 176.270 176.600 0.043 0.000 1.037 274 E CA -0.364 56.088 56.400 0.087 0.000 0.854 274 E CB 0.744 30.507 29.700 0.105 0.000 1.051 274 E HN 0.595 nan 8.360 nan 0.000 0.409 275 R N 2.269 122.784 120.500 0.025 0.000 2.867 275 R HA 0.367 4.707 4.340 -0.000 0.000 0.268 275 R C -0.839 175.429 176.300 -0.054 0.000 1.014 275 R CA -0.961 55.122 56.100 -0.029 0.000 0.946 275 R CB 1.910 32.176 30.300 -0.056 0.000 1.208 275 R HN 0.422 nan 8.270 nan 0.000 0.477 276 T N 3.754 118.248 114.554 -0.100 0.000 2.779 276 T HA 0.181 4.531 4.350 -0.000 0.000 0.296 276 T C -2.250 172.362 174.700 -0.146 0.000 0.938 276 T CA -1.072 60.963 62.100 -0.108 0.000 1.119 276 T CB 0.770 69.558 68.868 -0.134 0.000 0.891 276 T HN 0.221 nan 8.240 nan 0.000 0.526 277 P HA 0.139 nan 4.420 nan 0.000 0.269 277 P C -0.167 177.091 177.300 -0.070 0.000 1.215 277 P CA -0.532 62.544 63.100 -0.041 0.000 0.780 277 P CB 0.404 32.152 31.700 0.080 0.000 0.898 278 I N 1.536 122.046 120.570 -0.100 0.000 2.474 278 I HA 0.166 4.336 4.170 -0.000 0.000 0.287 278 I C 0.670 176.749 176.117 -0.064 0.000 1.048 278 I CA 0.385 61.615 61.300 -0.117 0.000 1.383 278 I CB 0.284 38.211 38.000 -0.122 0.000 1.412 278 I HN 0.397 nan 8.210 nan 0.000 0.531 279 S N 4.012 119.655 115.700 -0.094 0.000 2.547 279 S HA 0.894 5.364 4.470 -0.000 0.000 0.281 279 S C -0.454 174.043 174.600 -0.172 0.000 1.118 279 S CA -0.720 57.313 58.200 -0.278 0.000 0.947 279 S CB 2.134 65.076 63.200 -0.430 0.000 1.053 279 S HN 0.890 nan 8.310 nan 0.000 0.482 280 G N 0.573 109.258 108.800 -0.192 0.000 2.619 280 G HA2 0.577 4.537 3.960 -0.000 0.000 0.296 280 G HA3 0.577 4.537 3.960 -0.000 0.000 0.296 280 G C -1.983 172.887 174.900 -0.050 0.000 1.334 280 G CA -0.594 44.462 45.100 -0.073 0.000 0.934 280 G HN 0.707 nan 8.290 nan 0.000 0.476 281 D N -0.325 120.086 120.400 0.018 0.000 2.256 281 D HA 0.385 5.025 4.640 -0.000 0.000 0.240 281 D C -1.598 174.801 176.300 0.165 0.000 1.062 281 D CA -0.356 53.682 54.000 0.063 0.000 0.832 281 D CB 1.835 42.653 40.800 0.030 0.000 1.135 281 D HN 0.283 nan 8.370 nan 0.000 0.484 282 Y N 4.177 124.514 120.300 0.060 0.000 2.349 282 Y HA 0.233 4.783 4.550 -0.000 0.000 0.324 282 Y C 0.209 176.203 175.900 0.156 0.000 1.005 282 Y CA -0.683 57.464 58.100 0.079 0.000 1.240 282 Y CB 0.585 39.078 38.460 0.055 0.000 1.117 282 Y HN 0.513 nan 8.280 nan 0.000 0.463 283 R N 4.097 124.468 120.500 -0.214 0.000 3.416 283 R HA -0.256 4.084 4.340 -0.000 0.000 0.263 283 R C 1.004 177.328 176.300 0.040 0.000 1.053 283 R CA 1.107 57.119 56.100 -0.147 0.000 0.705 283 R CB -1.902 28.233 30.300 -0.274 0.000 1.124 283 R HN 1.323 nan 8.270 nan 0.000 0.444 284 G N -1.910 106.899 108.800 0.016 0.000 2.217 284 G HA2 -0.362 3.597 3.960 -0.000 0.000 0.246 284 G HA3 -0.362 3.597 3.960 -0.000 0.000 0.246 284 G C -0.045 174.785 174.900 -0.117 0.000 0.990 284 G CA 0.332 45.389 45.100 -0.071 0.000 0.627 284 G HN 0.385 nan 8.290 nan 0.000 0.522 285 Y N 0.599 120.921 120.300 0.037 0.000 2.334 285 Y HA 0.666 5.216 4.550 -0.000 0.000 0.328 285 Y C 0.574 176.502 175.900 0.048 0.000 1.130 285 Y CA -0.692 57.446 58.100 0.064 0.000 1.163 285 Y CB 1.386 39.910 38.460 0.108 0.000 1.207 285 Y HN 0.071 nan 8.280 nan 0.000 0.471 286 Q N 1.712 121.613 119.800 0.168 0.000 2.314 286 Q HA 0.484 4.824 4.340 -0.000 0.000 0.259 286 Q C -1.208 174.778 176.000 -0.023 0.000 0.951 286 Q CA -0.504 55.300 55.803 0.002 0.000 0.909 286 Q CB 1.658 30.374 28.738 -0.037 0.000 1.236 286 Q HN 0.422 nan 8.270 nan 0.000 0.444 287 V N 4.254 124.090 119.914 -0.130 0.000 2.347 287 V HA 0.376 4.495 4.120 -0.000 0.000 0.280 287 V C -1.000 174.964 176.094 -0.216 0.000 1.021 287 V CA -0.713 61.538 62.300 -0.081 0.000 0.847 287 V CB 0.243 32.041 31.823 -0.042 0.000 0.990 287 V HN 0.650 nan 8.190 nan 0.000 0.444 288 Y N 2.872 123.176 120.300 0.007 0.000 2.341 288 Y HA 0.704 5.254 4.550 -0.000 0.000 0.337 288 Y C 0.570 176.447 175.900 -0.039 0.000 1.014 288 Y CA 0.063 58.152 58.100 -0.019 0.000 1.111 288 Y CB 2.195 40.645 38.460 -0.017 0.000 1.194 288 Y HN 0.645 nan 8.280 nan 0.000 0.462 289 S N 1.884 117.629 115.700 0.075 0.000 2.752 289 S HA 0.546 5.016 4.470 -0.000 0.000 0.284 289 S C -1.328 173.227 174.600 -0.075 0.000 1.189 289 S CA -0.821 57.376 58.200 -0.006 0.000 0.835 289 S CB 0.972 64.147 63.200 -0.041 0.000 1.192 289 S HN 0.596 nan 8.310 nan 0.000 0.506 290 M N 3.807 123.316 119.600 -0.152 0.000 2.188 290 M HA 0.423 4.903 4.480 -0.000 0.000 0.354 290 M C -2.298 173.814 176.300 -0.315 0.000 1.342 290 M CA -1.621 53.507 55.300 -0.286 0.000 1.117 290 M CB 0.899 33.199 32.600 -0.500 0.000 1.670 290 M HN 0.345 nan 8.290 nan 0.000 0.466 291 P HA 0.467 nan 4.420 nan 0.000 0.284 291 P C -2.836 174.287 177.300 -0.295 0.000 1.292 291 P CA -1.747 61.177 63.100 -0.293 0.000 0.800 291 P CB -0.304 31.209 31.700 -0.313 0.000 1.188 292 P HA 0.029 nan 4.420 nan 0.000 0.266 292 P C -1.523 175.718 177.300 -0.098 0.000 1.193 292 P CA -0.617 62.408 63.100 -0.126 0.000 0.770 292 P CB -0.776 30.892 31.700 -0.053 0.000 0.836 293 P HA -0.086 nan 4.420 nan 0.000 0.242 293 P C 0.196 177.504 177.300 0.014 0.000 1.198 293 P CA 0.984 64.123 63.100 0.064 0.000 0.756 293 P CB 0.276 32.087 31.700 0.185 0.000 0.911 294 S N 0.083 115.650 115.700 -0.221 0.000 2.617 294 S HA 0.346 4.815 4.470 -0.000 0.000 0.283 294 S C 1.269 175.768 174.600 -0.167 0.000 1.189 294 S CA -0.273 57.773 58.200 -0.256 0.000 1.036 294 S CB 0.891 63.693 63.200 -0.664 0.000 1.014 294 S HN 0.109 nan 8.310 nan 0.000 0.522 295 S N 2.769 118.419 115.700 -0.084 0.000 2.524 295 S HA 0.210 4.680 4.470 -0.000 0.000 0.215 295 S C 1.778 176.309 174.600 -0.116 0.000 0.986 295 S CA 0.276 58.426 58.200 -0.083 0.000 0.911 295 S CB -0.293 62.966 63.200 0.098 0.000 0.805 295 S HN 0.828 nan 8.310 nan 0.000 0.501 296 G N 2.399 111.141 108.800 -0.097 0.000 2.514 296 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.217 296 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.217 296 G C 1.425 176.261 174.900 -0.107 0.000 1.198 296 G CA 0.763 45.817 45.100 -0.077 0.000 0.780 296 G HN 0.617 nan 8.290 nan 0.000 0.565 297 G N 0.914 109.624 108.800 -0.149 0.000 2.476 297 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 297 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 297 G C 1.829 176.651 174.900 -0.130 0.000 1.164 297 G CA 0.957 45.980 45.100 -0.129 0.000 0.768 297 G HN 0.444 nan 8.290 nan 0.000 0.560 298 I N 0.109 120.561 120.570 -0.195 0.000 2.163 298 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 298 I C 2.584 178.571 176.117 -0.216 0.000 1.085 298 I CA 1.222 62.390 61.300 -0.219 0.000 1.347 298 I CB -0.257 37.544 38.000 -0.332 0.000 1.044 298 I HN 0.187 nan 8.210 nan 0.000 0.408 299 H N -0.020 119.015 119.070 -0.058 0.000 2.462 299 H HA 0.018 4.574 4.556 -0.000 0.000 0.292 299 H C 2.298 177.573 175.328 -0.087 0.000 1.049 299 H CA 0.933 56.927 56.048 -0.090 0.000 1.334 299 H CB 0.072 29.717 29.762 -0.196 0.000 1.404 299 H HN 0.249 nan 8.280 nan 0.000 0.544 300 I N 0.333 120.904 120.570 0.001 0.000 2.252 300 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 300 I C 2.471 178.556 176.117 -0.053 0.000 1.102 300 I CA 0.701 61.980 61.300 -0.035 0.000 1.385 300 I CB -0.773 37.196 38.000 -0.052 0.000 1.064 300 I HN 0.025 nan 8.210 nan 0.000 0.414 301 V N 0.724 120.612 119.914 -0.044 0.000 2.358 301 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 301 V C 2.589 178.681 176.094 -0.003 0.000 1.047 301 V CA 1.812 64.093 62.300 -0.032 0.000 1.035 301 V CB -0.705 31.105 31.823 -0.022 0.000 0.658 301 V HN 0.498 nan 8.190 nan 0.000 0.452 302 Q N -0.273 119.540 119.800 0.021 0.000 2.050 302 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 302 Q C 2.296 178.310 176.000 0.024 0.000 0.980 302 Q CA 2.005 57.836 55.803 0.046 0.000 0.840 302 Q CB -0.086 28.724 28.738 0.120 0.000 0.898 302 Q HN 0.480 nan 8.270 nan 0.000 0.424 303 I N 0.987 121.570 120.570 0.022 0.000 2.226 303 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 303 I C 2.406 178.519 176.117 -0.007 0.000 1.100 303 I CA 1.123 62.429 61.300 0.010 0.000 1.374 303 I CB -1.080 36.920 38.000 0.001 0.000 1.057 303 I HN 0.365 nan 8.210 nan 0.000 0.413 304 L N 0.476 121.656 121.223 -0.072 0.000 2.046 304 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 304 L C 2.303 179.247 176.870 0.122 0.000 1.077 304 L CA 1.162 55.904 54.840 -0.163 0.000 0.747 304 L CB -0.660 41.167 42.059 -0.387 0.000 0.896 304 L HN 0.284 nan 8.230 nan 0.000 0.432 305 N N 0.338 119.095 118.700 0.095 0.000 2.149 305 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 305 N C 1.846 177.413 175.510 0.096 0.000 1.019 305 N CA 1.398 54.512 53.050 0.107 0.000 0.857 305 N CB -0.231 38.277 38.487 0.034 0.000 0.997 305 N HN 0.335 nan 8.380 nan 0.000 0.426 306 I N 0.831 121.446 120.570 0.074 0.000 2.202 306 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 306 I C 2.004 178.284 176.117 0.270 0.000 1.091 306 I CA 0.799 62.159 61.300 0.101 0.000 1.368 306 I CB -0.270 37.768 38.000 0.063 0.000 1.058 306 I HN 0.045 nan 8.210 nan 0.000 0.410 307 L N 0.385 121.779 121.223 0.284 0.000 2.191 307 L HA -0.219 4.120 4.340 -0.000 0.000 0.212 307 L C 2.496 179.645 176.870 0.464 0.000 1.103 307 L CA 1.256 56.343 54.840 0.411 0.000 0.769 307 L CB -0.685 41.542 42.059 0.280 0.000 0.908 307 L HN 0.348 nan 8.230 nan 0.000 0.438 308 E N 0.602 121.036 120.200 0.390 0.000 2.267 308 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 308 E C 1.537 178.164 176.600 0.045 0.000 0.998 308 E CA 0.848 57.350 56.400 0.169 0.000 0.830 308 E CB 0.112 29.871 29.700 0.099 0.000 0.751 308 E HN 0.506 nan 8.360 nan 0.000 0.491 309 N N -0.364 118.339 118.700 0.005 0.000 2.521 309 N HA -0.022 4.717 4.740 -0.000 0.000 0.188 309 N C -0.643 174.584 175.510 -0.471 0.000 1.146 309 N CA 0.599 53.486 53.050 -0.272 0.000 0.893 309 N CB 0.245 38.471 38.487 -0.434 0.000 0.975 309 N HN 0.037 nan 8.380 nan 0.000 0.451 310 F N -0.086 119.913 119.950 0.082 0.000 2.561 310 F HA 0.216 4.743 4.527 -0.000 0.000 0.321 310 F C 0.688 176.547 175.800 0.098 0.000 1.065 310 F CA -1.293 56.793 58.000 0.142 0.000 0.934 310 F CB 1.222 40.369 39.000 0.244 0.000 1.215 310 F HN -0.267 nan 8.300 nan 0.000 0.471 311 D N 2.877 123.393 120.400 0.193 0.000 2.619 311 D HA 0.090 4.730 4.640 -0.000 0.000 0.224 311 D C 1.240 177.496 176.300 -0.073 0.000 1.133 311 D CA 0.104 54.083 54.000 -0.034 0.000 1.017 311 D CB 0.275 40.959 40.800 -0.193 0.000 1.077 311 D HN 0.343 nan 8.370 nan 0.000 0.503 312 M N 1.198 120.910 119.600 0.186 0.000 2.144 312 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 312 M C 1.942 178.326 176.300 0.140 0.000 1.067 312 M CA 1.267 56.733 55.300 0.276 0.000 1.095 312 M CB -0.804 31.957 32.600 0.267 0.000 1.365 312 M HN 0.309 nan 8.290 nan 0.000 0.406 313 K N 0.593 121.030 120.400 0.061 0.000 2.063 313 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 313 K C 2.012 178.608 176.600 -0.007 0.000 1.048 313 K CA 1.403 57.714 56.287 0.039 0.000 0.928 313 K CB 0.052 32.564 32.500 0.020 0.000 0.713 313 K HN 0.262 nan 8.250 nan 0.000 0.442 314 K N -0.405 119.924 120.400 -0.119 0.000 2.057 314 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 314 K C 2.218 178.749 176.600 -0.116 0.000 1.049 314 K CA 1.638 57.822 56.287 -0.171 0.000 0.931 314 K CB -0.280 32.033 32.500 -0.311 0.000 0.714 314 K HN 0.205 nan 8.250 nan 0.000 0.440 315 Y N 0.459 120.785 120.300 0.043 0.000 2.145 315 Y HA -0.093 4.457 4.550 -0.000 0.000 0.286 315 Y C 1.532 177.449 175.900 0.028 0.000 1.145 315 Y CA 1.121 59.237 58.100 0.026 0.000 1.148 315 Y CB -0.824 37.641 38.460 0.009 0.000 0.981 315 Y HN 0.289 nan 8.280 nan 0.000 0.507 316 G N -0.470 108.446 108.800 0.195 0.000 2.733 316 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.686 316 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.686 316 G C -0.549 174.443 174.900 0.154 0.000 1.373 316 G CA -0.576 44.620 45.100 0.160 0.000 0.838 316 G HN 0.323 nan 8.290 nan 0.000 0.588 317 F N 1.817 121.802 119.950 0.058 0.000 2.602 317 F HA 0.394 4.921 4.527 -0.000 0.000 0.367 317 F C 1.701 177.521 175.800 0.032 0.000 1.126 317 F CA 1.945 59.968 58.000 0.039 0.000 1.321 317 F CB 0.734 39.752 39.000 0.029 0.000 1.094 317 F HN 2.235 nan 8.300 nan 0.000 0.594 318 G N 3.143 111.445 108.800 -0.830 0.000 2.166 318 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 318 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 318 G C 0.086 174.890 174.900 -0.160 0.000 0.986 318 G CA 0.431 45.278 45.100 -0.420 0.000 0.683 318 G HN 1.203 nan 8.290 nan 0.000 0.527 319 S N -0.838 114.785 115.700 -0.128 0.000 2.616 319 S HA 0.787 5.257 4.470 -0.000 0.000 0.277 319 S C 1.575 176.108 174.600 -0.112 0.000 1.234 319 S CA 0.379 58.543 58.200 -0.059 0.000 1.028 319 S CB 2.010 65.221 63.200 0.018 0.000 0.988 319 S HN 1.570 nan 8.310 nan 0.000 0.522 320 A N 1.568 124.333 122.820 -0.091 0.000 1.933 320 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 320 A C 1.738 179.218 177.584 -0.174 0.000 1.175 320 A CA 1.589 53.556 52.037 -0.116 0.000 0.628 320 A CB -0.929 18.022 19.000 -0.082 0.000 0.814 320 A HN 0.877 nan 8.150 nan 0.000 0.444 321 D N 0.218 120.496 120.400 -0.203 0.000 2.097 321 D HA -0.068 4.572 4.640 -0.000 0.000 0.195 321 D C 2.295 178.281 176.300 -0.523 0.000 0.989 321 D CA 1.624 55.380 54.000 -0.407 0.000 0.827 321 D CB -0.526 39.951 40.800 -0.539 0.000 0.966 321 D HN 0.407 nan 8.370 nan 0.000 0.456 322 A N 0.768 123.371 122.820 -0.361 0.000 1.877 322 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 322 A C 2.301 179.739 177.584 -0.244 0.000 1.186 322 A CA 1.568 53.455 52.037 -0.251 0.000 0.620 322 A CB -0.595 18.357 19.000 -0.080 0.000 0.822 322 A HN 0.163 nan 8.150 nan 0.000 0.443 323 M N -1.362 118.100 119.600 -0.230 0.000 2.175 323 M HA -0.183 4.297 4.480 -0.000 0.000 0.264 323 M C 2.425 178.609 176.300 -0.192 0.000 1.063 323 M CA 1.920 57.098 55.300 -0.203 0.000 1.119 323 M CB -0.291 32.194 32.600 -0.191 0.000 1.377 323 M HN 0.581 nan 8.290 nan 0.000 0.415 324 Q N 1.309 120.979 119.800 -0.217 0.000 2.020 324 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 324 Q C 1.628 177.487 176.000 -0.234 0.000 0.982 324 Q CA 1.965 57.646 55.803 -0.203 0.000 0.838 324 Q CB -0.263 28.349 28.738 -0.210 0.000 0.899 324 Q HN 0.359 nan 8.270 nan 0.000 0.423 325 I N 0.076 120.438 120.570 -0.347 0.000 2.163 325 I HA -0.254 3.916 4.170 -0.000 0.000 0.243 325 I C 2.335 178.284 176.117 -0.280 0.000 1.085 325 I CA 1.558 62.587 61.300 -0.450 0.000 1.347 325 I CB -0.832 36.727 38.000 -0.734 0.000 1.044 325 I HN 0.344 nan 8.210 nan 0.000 0.408 326 M N -0.370 119.106 119.600 -0.206 0.000 2.132 326 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 326 M C 2.391 178.647 176.300 -0.074 0.000 1.065 326 M CA 1.810 57.042 55.300 -0.114 0.000 1.122 326 M CB -0.455 32.086 32.600 -0.097 0.000 1.365 326 M HN 0.278 nan 8.290 nan 0.000 0.411 327 A N 0.220 122.983 122.820 -0.096 0.000 1.902 327 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 327 A C 2.023 179.574 177.584 -0.055 0.000 1.181 327 A CA 1.536 53.528 52.037 -0.076 0.000 0.623 327 A CB -0.519 18.424 19.000 -0.096 0.000 0.818 327 A HN 0.377 nan 8.150 nan 0.000 0.443 328 E N -0.035 120.132 120.200 -0.055 0.000 2.072 328 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 328 E C 2.371 179.047 176.600 0.128 0.000 0.985 328 E CA 1.258 57.661 56.400 0.006 0.000 0.801 328 E CB -0.709 29.008 29.700 0.028 0.000 0.750 328 E HN 0.567 nan 8.360 nan 0.000 0.452 329 A N 1.433 124.315 122.820 0.104 0.000 1.902 329 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 329 A C 2.058 179.741 177.584 0.164 0.000 1.181 329 A CA 1.688 53.825 52.037 0.168 0.000 0.623 329 A CB -0.523 18.513 19.000 0.061 0.000 0.818 329 A HN 0.225 nan 8.150 nan 0.000 0.443 330 E N -0.154 120.105 120.200 0.098 0.000 2.110 330 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 330 E C 2.023 178.729 176.600 0.176 0.000 0.988 330 E CA 1.382 57.872 56.400 0.149 0.000 0.804 330 E CB -0.135 29.654 29.700 0.147 0.000 0.745 330 E HN 0.604 nan 8.360 nan 0.000 0.458 331 K N 0.029 120.445 120.400 0.025 0.000 2.032 331 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 331 K C 1.999 178.529 176.600 -0.115 0.000 1.048 331 K CA 1.619 57.842 56.287 -0.108 0.000 0.927 331 K CB -0.274 32.036 32.500 -0.316 0.000 0.712 331 K HN 0.178 nan 8.250 nan 0.000 0.441 332 Y N 0.597 120.920 120.300 0.038 0.000 2.224 332 Y HA -0.209 4.340 4.550 -0.000 0.000 0.289 332 Y C 2.465 178.385 175.900 0.034 0.000 1.146 332 Y CA 1.145 59.268 58.100 0.038 0.000 1.182 332 Y CB -0.578 37.883 38.460 0.001 0.000 0.983 332 Y HN 0.113 nan 8.280 nan 0.000 0.524 333 A N -0.674 122.219 122.820 0.121 0.000 1.877 333 A HA -0.209 4.110 4.320 -0.000 0.000 0.216 333 A C 1.859 179.205 177.584 -0.396 0.000 1.186 333 A CA 1.605 53.583 52.037 -0.099 0.000 0.620 333 A CB -1.252 17.648 19.000 -0.166 0.000 0.822 333 A HN 0.523 nan 8.150 nan 0.000 0.443 334 Y N -0.164 120.001 120.300 -0.226 0.000 2.352 334 Y HA -0.003 4.547 4.550 -0.000 0.000 0.292 334 Y C 2.807 178.634 175.900 -0.122 0.000 1.136 334 Y CA 0.741 58.709 58.100 -0.220 0.000 1.227 334 Y CB -0.284 38.089 38.460 -0.145 0.000 0.991 334 Y HN 0.347 nan 8.280 nan 0.000 0.545 335 A N -0.008 122.852 122.820 0.068 0.000 1.898 335 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 335 A C 1.850 179.483 177.584 0.082 0.000 1.181 335 A CA 1.928 54.001 52.037 0.059 0.000 0.620 335 A CB -0.590 18.445 19.000 0.058 0.000 0.819 335 A HN 0.296 nan 8.150 nan 0.000 0.442 336 D N -0.743 119.749 120.400 0.154 0.000 2.144 336 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 336 D C 2.038 178.491 176.300 0.255 0.000 0.984 336 D CA 1.108 55.297 54.000 0.315 0.000 0.834 336 D CB -0.341 40.744 40.800 0.476 0.000 0.955 336 D HN 0.505 nan 8.370 nan 0.000 0.465 337 R N 0.839 121.391 120.500 0.086 0.000 2.091 337 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 337 R C 2.137 178.500 176.300 0.106 0.000 1.136 337 R CA 1.831 58.021 56.100 0.150 0.000 0.959 337 R CB -0.131 30.094 30.300 -0.126 0.000 0.856 337 R HN 0.208 nan 8.270 nan 0.000 0.437 338 S N -0.675 115.051 115.700 0.042 0.000 2.474 338 S HA -0.132 4.337 4.470 -0.000 0.000 0.235 338 S C 1.655 176.225 174.600 -0.051 0.000 0.997 338 S CA 1.378 59.584 58.200 0.011 0.000 0.949 338 S CB 0.163 63.366 63.200 0.004 0.000 0.766 338 S HN 0.478 nan 8.310 nan 0.000 0.517 339 E N 0.053 120.166 120.200 -0.145 0.000 2.306 339 E HA 0.196 4.546 4.350 -0.000 0.000 0.201 339 E C 0.878 177.253 176.600 -0.376 0.000 0.874 339 E CA 0.381 56.565 56.400 -0.360 0.000 0.972 339 E CB -0.193 29.095 29.700 -0.686 0.000 0.957 339 E HN 0.618 nan 8.360 nan 0.000 0.492 340 Y N -0.094 120.263 120.300 0.095 0.000 2.458 340 Y HA 0.349 4.899 4.550 -0.000 0.000 0.254 340 Y C 0.276 176.232 175.900 0.092 0.000 1.120 340 Y CA -0.294 57.860 58.100 0.089 0.000 1.282 340 Y CB 0.604 39.117 38.460 0.089 0.000 1.109 340 Y HN -0.024 nan 8.280 nan 0.000 0.526 341 L N 0.602 121.952 121.223 0.212 0.000 2.289 341 L HA 0.677 5.017 4.340 -0.000 0.000 0.285 341 L C 0.497 177.437 176.870 0.117 0.000 1.049 341 L CA 0.174 55.110 54.840 0.160 0.000 0.804 341 L CB 0.777 42.937 42.059 0.169 0.000 1.195 341 L HN 0.317 nan 8.230 nan 0.000 0.428 342 G N 2.267 111.132 108.800 0.108 0.000 2.430 342 G HA2 0.089 4.049 3.960 -0.000 0.000 0.300 342 G HA3 0.089 4.049 3.960 -0.000 0.000 0.300 342 G C -1.496 173.471 174.900 0.112 0.000 1.330 342 G CA -0.602 44.557 45.100 0.099 0.000 0.813 342 G HN 0.404 nan 8.290 nan 0.000 0.487 343 D N 1.136 121.614 120.400 0.129 0.000 2.412 343 D HA 0.159 4.799 4.640 -0.000 0.000 0.257 343 D C -0.644 175.786 176.300 0.217 0.000 1.217 343 D CA -1.441 52.673 54.000 0.189 0.000 0.897 343 D CB 1.691 42.645 40.800 0.257 0.000 1.132 343 D HN 0.057 nan 8.370 nan 0.000 0.493 344 P HA -0.104 nan 4.420 nan 0.000 0.225 344 P C 0.306 177.660 177.300 0.090 0.000 1.148 344 P CA 0.627 63.793 63.100 0.109 0.000 0.779 344 P CB 0.487 32.216 31.700 0.049 0.000 0.780 345 D N -1.424 119.036 120.400 0.099 0.000 2.347 345 D HA 0.025 4.665 4.640 -0.000 0.000 0.213 345 D C 1.307 177.436 176.300 -0.286 0.000 0.985 345 D CA 0.749 54.698 54.000 -0.085 0.000 0.879 345 D CB -0.305 40.413 40.800 -0.137 0.000 0.919 345 D HN 0.295 nan 8.370 nan 0.000 0.526 346 F N -0.479 119.493 119.950 0.036 0.000 2.667 346 F HA 0.169 4.696 4.527 -0.000 0.000 0.288 346 F C 0.735 176.561 175.800 0.043 0.000 1.086 346 F CA -0.164 57.859 58.000 0.037 0.000 1.297 346 F CB 0.978 40.001 39.000 0.039 0.000 1.059 346 F HN -0.293 nan 8.300 nan 0.000 0.624 347 V N 0.855 120.907 119.914 0.229 0.000 2.789 347 V HA 0.481 4.601 4.120 -0.000 0.000 0.311 347 V C -0.994 175.180 176.094 0.133 0.000 1.073 347 V CA -1.055 61.341 62.300 0.160 0.000 0.921 347 V CB 1.935 33.852 31.823 0.157 0.000 1.009 347 V HN -0.028 nan 8.190 nan 0.000 0.426 348 K N 4.691 125.159 120.400 0.114 0.000 2.338 348 K HA 0.401 4.720 4.320 -0.000 0.000 0.290 348 K C -0.982 175.699 176.600 0.136 0.000 1.069 348 K CA 0.104 56.458 56.287 0.112 0.000 0.941 348 K CB 0.549 33.097 32.500 0.081 0.000 1.023 348 K HN 0.498 nan 8.250 nan 0.000 0.477 349 V N 8.539 128.556 119.914 0.172 0.000 2.406 349 V HA 0.262 4.382 4.120 -0.000 0.000 0.272 349 V C -1.720 174.483 176.094 0.182 0.000 1.043 349 V CA -1.481 60.934 62.300 0.192 0.000 0.915 349 V CB 1.247 33.191 31.823 0.201 0.000 0.988 349 V HN 0.835 nan 8.190 nan 0.000 0.466 350 P HA 0.017 nan 4.420 nan 0.000 0.225 350 P C 1.079 178.312 177.300 -0.110 0.000 1.768 350 P CA -0.230 62.802 63.100 -0.114 0.000 0.943 350 P CB -0.152 31.401 31.700 -0.244 0.000 1.936 351 W N 1.618 122.875 121.300 -0.072 0.000 2.363 351 W HA -0.168 4.492 4.660 -0.000 0.000 0.296 351 W C 0.739 177.216 176.519 -0.070 0.000 1.212 351 W CA 0.600 57.900 57.345 -0.075 0.000 1.260 351 W CB -1.516 27.905 29.460 -0.064 0.000 1.131 351 W HN 0.094 nan 8.180 nan 0.000 0.530 352 Q N 1.598 120.882 119.800 -0.860 0.000 2.050 352 Q HA -0.062 4.278 4.340 -0.000 0.000 0.202 352 Q C 2.831 178.637 176.000 -0.322 0.000 0.980 352 Q CA 2.864 58.224 55.803 -0.739 0.000 0.840 352 Q CB -1.038 27.138 28.738 -0.937 0.000 0.898 352 Q HN 0.323 nan 8.270 nan 0.000 0.424 353 A N 0.576 123.212 122.820 -0.306 0.000 1.877 353 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 353 A C 2.080 179.541 177.584 -0.205 0.000 1.186 353 A CA 1.206 53.102 52.037 -0.236 0.000 0.620 353 A CB -0.783 18.040 19.000 -0.295 0.000 0.822 353 A HN 0.337 nan 8.150 nan 0.000 0.443 354 L N -0.066 121.066 121.223 -0.153 0.000 2.131 354 L HA -0.126 4.213 4.340 -0.000 0.000 0.210 354 L C 2.341 179.288 176.870 0.127 0.000 1.092 354 L CA 1.669 56.528 54.840 0.031 0.000 0.759 354 L CB -0.548 41.536 42.059 0.042 0.000 0.903 354 L HN 0.644 nan 8.230 nan 0.000 0.435 355 T N -4.399 110.190 114.554 0.059 0.000 3.145 355 T HA 0.045 4.395 4.350 -0.000 0.000 0.255 355 T C 0.695 175.412 174.700 0.029 0.000 1.039 355 T CA -0.450 61.689 62.100 0.064 0.000 0.928 355 T CB -0.436 68.493 68.868 0.103 0.000 1.029 355 T HN 0.128 nan 8.240 nan 0.000 0.554 356 N N 1.868 120.570 118.700 0.003 0.000 2.470 356 N HA 0.110 4.850 4.740 -0.000 0.000 0.268 356 N C 0.789 176.271 175.510 -0.046 0.000 1.136 356 N CA -0.079 52.952 53.050 -0.032 0.000 0.961 356 N CB 1.086 39.535 38.487 -0.063 0.000 1.067 356 N HN 0.282 nan 8.380 nan 0.000 0.468 357 K N 2.735 123.112 120.400 -0.037 0.000 2.211 357 K HA -0.089 4.231 4.320 -0.000 0.000 0.203 357 K C 1.671 178.218 176.600 -0.088 0.000 1.050 357 K CA 1.260 57.518 56.287 -0.048 0.000 0.945 357 K CB 0.028 32.516 32.500 -0.020 0.000 0.732 357 K HN 0.642 nan 8.250 nan 0.000 0.451 358 A N 0.751 123.521 122.820 -0.083 0.000 1.930 358 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 358 A C 2.020 179.428 177.584 -0.293 0.000 1.175 358 A CA 1.141 53.138 52.037 -0.067 0.000 0.627 358 A CB -0.638 18.435 19.000 0.121 0.000 0.815 358 A HN 0.393 nan 8.150 nan 0.000 0.443 359 Y N 0.857 120.649 120.300 -0.847 0.000 2.181 359 Y HA -0.063 4.487 4.550 -0.000 0.000 0.288 359 Y C 2.589 178.219 175.900 -0.449 0.000 1.146 359 Y CA 0.955 58.379 58.100 -1.126 0.000 1.164 359 Y CB -0.787 37.052 38.460 -1.035 0.000 0.982 359 Y HN 0.292 nan 8.280 nan 0.000 0.515 360 A N 0.200 122.772 122.820 -0.413 0.000 1.933 360 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 360 A C 2.204 179.625 177.584 -0.272 0.000 1.175 360 A CA 1.971 53.792 52.037 -0.361 0.000 0.628 360 A CB -0.675 18.227 19.000 -0.162 0.000 0.814 360 A HN 0.386 nan 8.150 nan 0.000 0.444 361 K N 1.061 121.341 120.400 -0.200 0.000 2.097 361 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 361 K C 2.204 178.717 176.600 -0.145 0.000 1.049 361 K CA 2.032 58.232 56.287 -0.144 0.000 0.933 361 K CB -0.527 31.917 32.500 -0.094 0.000 0.717 361 K HN 0.545 nan 8.250 nan 0.000 0.442 362 S N -0.052 115.557 115.700 -0.152 0.000 2.419 362 S HA -0.094 4.376 4.470 -0.000 0.000 0.233 362 S C 1.827 176.310 174.600 -0.195 0.000 1.016 362 S CA 0.982 59.129 58.200 -0.090 0.000 0.974 362 S CB -0.354 62.880 63.200 0.057 0.000 0.786 362 S HN 0.191 nan 8.310 nan 0.000 0.492 363 I N 2.603 122.959 120.570 -0.355 0.000 2.277 363 I HA 0.121 4.291 4.170 -0.000 0.000 0.243 363 I C 3.078 179.006 176.117 -0.316 0.000 1.094 363 I CA 0.807 61.800 61.300 -0.512 0.000 1.393 363 I CB -1.969 35.631 38.000 -0.667 0.000 1.078 363 I HN 0.405 nan 8.210 nan 0.000 0.417 364 A N 0.718 123.447 122.820 -0.151 0.000 1.948 364 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 364 A C 1.886 179.500 177.584 0.050 0.000 1.177 364 A CA 2.076 54.148 52.037 0.059 0.000 0.636 364 A CB -0.696 18.286 19.000 -0.031 0.000 0.815 364 A HN 0.364 nan 8.150 nan 0.000 0.449 365 D N -0.567 119.801 120.400 -0.052 0.000 2.310 365 D HA -0.085 4.555 4.640 -0.000 0.000 0.212 365 D C 1.936 178.238 176.300 0.003 0.000 0.965 365 D CA 0.961 54.944 54.000 -0.027 0.000 0.879 365 D CB -0.201 40.574 40.800 -0.040 0.000 0.921 365 D HN 0.664 nan 8.370 nan 0.000 0.510 366 Q N -0.338 119.444 119.800 -0.029 0.000 2.408 366 Q HA 0.160 4.500 4.340 -0.000 0.000 0.205 366 Q C 0.442 176.484 176.000 0.072 0.000 0.919 366 Q CA 0.037 55.841 55.803 0.002 0.000 0.932 366 Q CB 0.918 29.619 28.738 -0.061 0.000 1.058 366 Q HN 0.288 nan 8.270 nan 0.000 0.517 367 I N 2.115 122.743 120.570 0.097 0.000 2.452 367 I HA 0.009 4.179 4.170 -0.000 0.000 0.287 367 I C -0.025 176.158 176.117 0.110 0.000 1.079 367 I CA -0.161 61.216 61.300 0.128 0.000 1.387 367 I CB 0.444 38.523 38.000 0.132 0.000 1.404 367 I HN -0.093 nan 8.210 nan 0.000 0.522 368 D N 7.365 127.804 120.400 0.065 0.000 2.412 368 D HA 0.257 4.897 4.640 -0.000 0.000 0.224 368 D C 0.988 177.286 176.300 -0.002 0.000 1.093 368 D CA -0.370 53.656 54.000 0.043 0.000 0.850 368 D CB 1.149 41.970 40.800 0.035 0.000 1.046 368 D HN 0.417 nan 8.370 nan 0.000 0.507 369 I N 2.575 123.140 120.570 -0.010 0.000 2.657 369 I HA -0.207 3.963 4.170 -0.000 0.000 0.261 369 I C 1.372 177.449 176.117 -0.067 0.000 1.212 369 I CA 0.562 61.814 61.300 -0.080 0.000 1.453 369 I CB -0.105 37.849 38.000 -0.077 0.000 1.092 369 I HN 0.264 nan 8.210 nan 0.000 0.452 370 N N 0.727 119.410 118.700 -0.029 0.000 2.205 370 N HA 0.117 4.857 4.740 -0.000 0.000 0.201 370 N C 0.139 175.636 175.510 -0.022 0.000 1.128 370 N CA 0.276 53.311 53.050 -0.025 0.000 0.867 370 N CB 0.841 39.324 38.487 -0.007 0.000 0.996 370 N HN 0.296 nan 8.380 nan 0.000 0.503 371 K N 0.750 121.138 120.400 -0.020 0.000 2.619 371 K HA 0.448 4.768 4.320 -0.000 0.000 0.251 371 K C -1.447 175.143 176.600 -0.017 0.000 0.987 371 K CA -0.412 55.865 56.287 -0.016 0.000 0.844 371 K CB 1.864 34.362 32.500 -0.003 0.000 1.237 371 K HN -0.081 nan 8.250 nan 0.000 0.447 372 A N 3.699 126.502 122.820 -0.029 0.000 2.425 372 A HA 0.210 4.530 4.320 -0.000 0.000 0.249 372 A C -0.428 177.142 177.584 -0.024 0.000 1.084 372 A CA -0.145 51.872 52.037 -0.034 0.000 0.781 372 A CB 0.413 19.383 19.000 -0.051 0.000 1.019 372 A HN 0.713 nan 8.150 nan 0.000 0.490 373 K N 3.221 123.607 120.400 -0.023 0.000 2.253 373 K HA 0.399 4.719 4.320 -0.000 0.000 0.277 373 K C -2.711 173.854 176.600 -0.058 0.000 1.053 373 K CA -1.887 54.388 56.287 -0.020 0.000 0.892 373 K CB 0.613 33.122 32.500 0.015 0.000 1.102 373 K HN 0.349 nan 8.250 nan 0.000 0.469 374 P HA -0.033 nan 4.420 nan 0.000 0.264 374 P C -0.076 177.178 177.300 -0.077 0.000 1.183 374 P CA 0.179 63.245 63.100 -0.056 0.000 0.763 374 P CB 0.802 32.480 31.700 -0.036 0.000 0.807 375 S N 1.447 117.093 115.700 -0.090 0.000 2.419 375 S HA -0.155 4.315 4.470 -0.000 0.000 0.235 375 S C 1.806 176.362 174.600 -0.072 0.000 1.019 375 S CA 1.674 59.811 58.200 -0.105 0.000 0.982 375 S CB -0.734 62.406 63.200 -0.100 0.000 0.789 375 S HN 0.688 nan 8.310 nan 0.000 0.490 376 S N 1.438 117.107 115.700 -0.051 0.000 2.507 376 S HA -0.031 4.439 4.470 -0.000 0.000 0.235 376 S C 1.094 175.682 174.600 -0.020 0.000 0.988 376 S CA 0.620 58.801 58.200 -0.031 0.000 0.944 376 S CB -0.284 62.901 63.200 -0.025 0.000 0.762 376 S HN 0.607 nan 8.310 nan 0.000 0.526 377 E N 0.182 120.368 120.200 -0.024 0.000 2.501 377 E HA 0.366 4.716 4.350 -0.000 0.000 0.201 377 E C -0.477 176.127 176.600 0.007 0.000 1.016 377 E CA -0.109 56.290 56.400 -0.001 0.000 0.920 377 E CB 0.395 30.099 29.700 0.006 0.000 1.023 377 E HN 0.569 nan 8.360 nan 0.000 0.474 378 I N 1.644 122.196 120.570 -0.030 0.000 2.406 378 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 378 I C 0.097 176.217 176.117 0.004 0.000 0.999 378 I CA -0.674 60.604 61.300 -0.037 0.000 1.124 378 I CB 1.222 39.085 38.000 -0.228 0.000 1.289 378 I HN -0.157 nan 8.210 nan 0.000 0.441 379 R N 4.886 125.430 120.500 0.073 0.000 2.912 379 R HA 0.567 4.906 4.340 -0.000 0.000 0.262 379 R C -2.657 173.729 176.300 0.143 0.000 1.057 379 R CA -2.040 54.107 56.100 0.079 0.000 0.981 379 R CB 1.501 31.845 30.300 0.073 0.000 1.201 379 R HN 0.222 nan 8.270 nan 0.000 0.484 380 P HA 0.002 nan 4.420 nan 0.000 0.265 380 P C -0.030 177.459 177.300 0.315 0.000 1.187 380 P CA 0.306 63.531 63.100 0.208 0.000 0.766 380 P CB 0.378 32.090 31.700 0.021 0.000 0.820 381 G N 2.442 111.508 108.800 0.444 0.000 2.606 381 G HA2 0.152 4.112 3.960 -0.000 0.000 0.252 381 G HA3 0.152 4.112 3.960 -0.000 0.000 0.252 381 G C -0.582 174.494 174.900 0.293 0.000 1.206 381 G CA -0.620 44.729 45.100 0.415 0.000 0.861 381 G HN 0.380 nan 8.290 nan 0.000 0.561 382 K N 1.372 121.902 120.400 0.217 0.000 2.267 382 K HA 0.221 4.541 4.320 -0.000 0.000 0.282 382 K C 0.827 177.432 176.600 0.009 0.000 1.078 382 K CA -0.269 56.087 56.287 0.114 0.000 0.903 382 K CB 1.331 33.889 32.500 0.097 0.000 1.111 382 K HN 0.314 nan 8.250 nan 0.000 0.475 383 L N 2.033 123.181 121.223 -0.124 0.000 2.509 383 L HA -0.006 4.334 4.340 -0.000 0.000 0.222 383 L C 2.222 178.994 176.870 -0.163 0.000 1.123 383 L CA 0.218 54.918 54.840 -0.233 0.000 0.856 383 L CB -0.361 41.427 42.059 -0.451 0.000 0.985 383 L HN 0.727 nan 8.230 nan 0.000 0.456 384 A N 1.702 124.438 122.820 -0.139 0.000 1.896 384 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 384 A C -0.004 177.442 177.584 -0.231 0.000 1.206 384 A CA 2.019 53.968 52.037 -0.147 0.000 0.647 384 A CB -1.890 17.049 19.000 -0.103 0.000 0.828 384 A HN 0.294 nan 8.150 nan 0.000 0.455 385 P HA -0.098 nan 4.420 nan 0.000 0.226 385 P C -0.051 176.798 177.300 -0.752 0.000 1.146 385 P CA 1.004 63.741 63.100 -0.605 0.000 0.773 385 P CB -0.112 31.097 31.700 -0.818 0.000 0.772 386 Y N -1.995 118.230 120.300 -0.125 0.000 2.612 386 Y HA 0.233 4.783 4.550 -0.000 0.000 0.250 386 Y C 1.127 176.924 175.900 -0.172 0.000 1.175 386 Y CA -0.609 57.409 58.100 -0.137 0.000 1.205 386 Y CB -0.120 38.244 38.460 -0.160 0.000 1.201 386 Y HN -0.132 nan 8.280 nan 0.000 0.532 387 E N 0.000 120.141 120.200 -0.098 0.000 2.725 387 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 387 E CA 0.000 56.327 56.400 -0.122 0.000 0.976 387 E CB 0.000 29.626 29.700 -0.124 0.000 0.812 387 E HN 0.000 nan 8.360 nan 0.000 0.440