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 3l0b_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYLLPEAKAQ DSDKICVVIX LDETLVHSSF KPVNNADFII PVEIDGVVHQ DATA SEQUENCE VYVLKRPHVD EFLQRMGELF ECVLFTASLA KYADPVADLL DKWGAFRARL DATA SEQUENCE FRESCVFHRG NYVKDLSRLG RDLRRVLILA NSPASYVFHP DNAVPVASWF DATA SEQUENCE DNMSDTELHD LLPFFEQLSR VDDVYSVLRQ 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 175.901 176.000 -0.164 0.000 1.003 77 Q CA 0.000 55.723 55.803 -0.133 0.000 1.022 77 Q CB 0.000 28.607 28.738 -0.219 0.000 1.108 78 Y N 1.756 122.063 120.300 0.012 0.000 2.403 78 Y HA 0.364 4.911 4.550 -0.005 0.000 0.323 78 Y C 1.921 177.813 175.900 -0.014 0.000 1.226 78 Y CA -0.336 57.768 58.100 0.007 0.000 1.235 78 Y CB 0.785 39.246 38.460 0.002 0.000 1.248 78 Y HN 0.019 nan 8.280 nan 0.000 0.489 79 L N 0.691 122.023 121.223 0.182 0.000 2.141 79 L HA -0.060 4.277 4.340 -0.006 0.000 0.209 79 L C 0.003 176.855 176.870 -0.031 0.000 1.094 79 L CA 1.148 55.999 54.840 0.019 0.000 0.763 79 L CB -0.242 41.771 42.059 -0.077 0.000 0.908 79 L HN 0.372 nan 8.230 nan 0.000 0.437 80 L N -0.404 120.813 121.223 -0.009 0.000 2.333 80 L HA 0.442 4.778 4.340 -0.006 0.000 0.269 80 L C -2.124 174.747 176.870 0.002 0.000 1.010 80 L CA -2.042 52.773 54.840 -0.042 0.000 0.818 80 L CB 1.365 43.375 42.059 -0.083 0.000 1.306 80 L HN -0.172 nan 8.230 nan 0.000 0.430 81 P HA 0.115 nan 4.420 nan 0.000 0.277 81 P C -1.022 176.269 177.300 -0.016 0.000 1.271 81 P CA -0.647 62.458 63.100 0.008 0.000 0.795 81 P CB 0.351 32.055 31.700 0.005 0.000 1.101 82 E N -0.042 120.153 120.200 -0.009 0.000 2.481 82 E HA 0.227 4.574 4.350 -0.006 0.000 0.263 82 E C -0.023 176.561 176.600 -0.026 0.000 0.992 82 E CA -0.745 55.640 56.400 -0.025 0.000 0.938 82 E CB -0.023 29.672 29.700 -0.010 0.000 0.933 82 E HN 0.476 nan 8.360 nan 0.000 0.453 83 A N 3.508 126.308 122.820 -0.033 0.000 2.561 83 A HA -0.024 4.292 4.320 -0.006 0.000 0.234 83 A C 0.137 177.710 177.584 -0.017 0.000 1.055 83 A CA 0.013 52.035 52.037 -0.026 0.000 0.756 83 A CB 0.038 19.022 19.000 -0.026 0.000 0.986 83 A HN 0.645 nan 8.150 nan 0.000 0.505 84 K N 1.613 122.005 120.400 -0.013 0.000 2.469 84 K HA 0.199 4.515 4.320 -0.006 0.000 0.274 84 K C 1.610 178.203 176.600 -0.013 0.000 0.983 84 K CA 0.399 56.680 56.287 -0.011 0.000 0.974 84 K CB 0.347 32.842 32.500 -0.008 0.000 0.913 84 K HN 0.824 nan 8.250 nan 0.000 0.493 85 A N 3.054 125.867 122.820 -0.012 0.000 1.916 85 A HA -0.348 3.968 4.320 -0.006 0.000 0.224 85 A C 1.932 179.506 177.584 -0.017 0.000 1.366 85 A CA 2.415 54.444 52.037 -0.014 0.000 0.692 85 A CB -0.872 18.121 19.000 -0.012 0.000 0.841 85 A HN 0.930 nan 8.150 nan 0.000 0.480 86 Q N -1.606 118.183 119.800 -0.018 0.000 2.364 86 Q HA -0.151 4.185 4.340 -0.006 0.000 0.207 86 Q C 0.357 176.341 176.000 -0.027 0.000 0.970 86 Q CA 1.660 57.449 55.803 -0.024 0.000 0.888 86 Q CB -0.370 28.354 28.738 -0.023 0.000 0.951 86 Q HN 0.677 nan 8.270 nan 0.000 0.469 87 D N 0.453 120.840 120.400 -0.022 0.000 2.389 87 D HA 0.048 4.685 4.640 -0.006 0.000 0.206 87 D C 1.618 177.907 176.300 -0.019 0.000 1.055 87 D CA 0.309 54.297 54.000 -0.020 0.000 0.856 87 D CB 0.288 41.081 40.800 -0.012 0.000 0.957 87 D HN 0.143 nan 8.370 nan 0.000 0.509 88 S N 0.839 116.527 115.700 -0.020 0.000 2.399 88 S HA -0.240 4.227 4.470 -0.006 0.000 0.235 88 S C 1.023 175.611 174.600 -0.021 0.000 1.063 88 S CA 1.648 59.836 58.200 -0.020 0.000 1.070 88 S CB -0.074 63.114 63.200 -0.019 0.000 0.904 88 S HN 0.155 nan 8.310 nan 0.000 0.456 89 D N 0.136 120.521 120.400 -0.025 0.000 2.340 89 D HA 0.201 4.838 4.640 -0.006 0.000 0.217 89 D C 0.103 176.388 176.300 -0.026 0.000 1.081 89 D CA 0.152 54.136 54.000 -0.026 0.000 0.842 89 D CB 0.416 41.197 40.800 -0.032 0.000 0.934 89 D HN 0.355 nan 8.370 nan 0.000 0.511 90 K N 0.544 120.934 120.400 -0.017 0.000 2.143 90 K HA 0.372 4.688 4.320 -0.006 0.000 0.272 90 K C 0.102 176.737 176.600 0.057 0.000 1.001 90 K CA -0.682 55.605 56.287 0.001 0.000 0.915 90 K CB 2.005 34.502 32.500 -0.005 0.000 1.047 90 K HN -0.030 nan 8.250 nan 0.000 0.458 91 I N 1.649 122.300 120.570 0.135 0.000 2.775 91 I HA -0.140 4.026 4.170 -0.006 0.000 0.290 91 I C 0.464 176.692 176.117 0.185 0.000 1.203 91 I CA -0.053 61.358 61.300 0.184 0.000 1.433 91 I CB 0.366 38.551 38.000 0.309 0.000 1.354 91 I HN 0.604 nan 8.210 nan 0.000 0.579 92 C N 7.953 127.276 119.300 0.039 0.000 2.325 92 C HA 0.512 4.969 4.460 -0.006 0.000 0.347 92 C C 0.080 175.017 174.990 -0.089 0.000 1.263 92 C CA -0.395 58.619 59.018 -0.007 0.000 1.806 92 C CB -0.525 27.196 27.740 -0.031 0.000 2.405 92 C HN 0.513 nan 8.230 nan 0.000 0.537 93 V N 7.780 127.612 119.914 -0.135 0.000 2.357 93 V HA 0.350 4.467 4.120 -0.006 0.000 0.284 93 V C 0.088 176.147 176.094 -0.060 0.000 1.018 93 V CA -0.420 61.743 62.300 -0.228 0.000 0.841 93 V CB 1.388 32.886 31.823 -0.541 0.000 0.991 93 V HN 0.722 nan 8.190 nan 0.000 0.437 94 V N 7.231 127.141 119.914 -0.007 0.000 2.432 94 V HA 0.501 4.618 4.120 -0.006 0.000 0.275 94 V C 0.108 176.267 176.094 0.108 0.000 1.043 94 V CA 0.055 62.407 62.300 0.086 0.000 0.925 94 V CB 1.212 33.123 31.823 0.146 0.000 0.985 94 V HN 0.683 nan 8.190 nan 0.000 0.466 98 D N 1.845 122.360 120.400 0.191 0.000 2.390 98 D HA 0.300 4.936 4.640 -0.006 0.000 0.249 98 D C 0.247 176.630 176.300 0.138 0.000 1.144 98 D CA 0.844 54.963 54.000 0.198 0.000 0.880 98 D CB 1.550 42.464 40.800 0.190 0.000 1.182 98 D HN 0.372 nan 8.370 nan 0.000 0.451 99 E N -0.179 120.106 120.200 0.142 0.000 4.086 99 E HA -0.200 4.147 4.350 -0.006 0.000 0.363 99 E C 0.989 177.621 176.600 0.054 0.000 0.616 99 E CA 1.877 58.266 56.400 -0.020 0.000 1.293 99 E CB -1.125 28.468 29.700 -0.179 0.000 1.747 99 E HN 0.485 nan 8.360 nan 0.000 0.405 100 T N -0.888 113.719 114.554 0.090 0.000 2.990 100 T HA 0.245 4.592 4.350 -0.006 0.000 0.237 100 T C 1.733 176.434 174.700 0.003 0.000 1.009 100 T CA 1.007 63.139 62.100 0.053 0.000 1.195 100 T CB 0.027 68.941 68.868 0.077 0.000 0.885 100 T HN 0.068 nan 8.240 nan 0.000 0.424 101 L N 1.169 122.425 121.223 0.055 0.000 2.357 101 L HA 0.338 4.675 4.340 -0.006 0.000 0.211 101 L C 0.587 177.481 176.870 0.039 0.000 1.075 101 L CA 0.051 54.905 54.840 0.023 0.000 0.830 101 L CB 0.353 42.501 42.059 0.148 0.000 0.996 101 L HN 0.194 nan 8.230 nan 0.000 0.467 102 V N -3.926 116.102 119.914 0.189 0.000 3.181 102 V HA 0.558 4.674 4.120 -0.006 0.000 0.308 102 V C -1.565 174.826 176.094 0.495 0.000 1.214 102 V CA -0.885 61.608 62.300 0.320 0.000 1.053 102 V CB 2.277 34.281 31.823 0.302 0.000 1.069 102 V HN 0.125 nan 8.190 nan 0.000 0.441 103 H N 0.211 119.549 119.070 0.447 0.000 2.782 103 H HA 0.830 5.383 4.556 -0.006 0.000 0.347 103 H C -0.801 174.650 175.328 0.206 0.000 1.038 103 H CA 0.167 56.367 56.048 0.252 0.000 1.255 103 H CB 1.957 31.766 29.762 0.078 0.000 1.623 103 H HN 0.958 nan 8.280 nan 0.000 0.525 104 S N 2.664 118.093 115.700 -0.451 0.000 2.621 104 S HA 0.771 5.237 4.470 -0.006 0.000 0.302 104 S C -0.979 173.292 174.600 -0.549 0.000 1.093 104 S CA -0.732 57.259 58.200 -0.348 0.000 1.017 104 S CB 1.710 64.778 63.200 -0.219 0.000 1.077 104 S HN 0.632 nan 8.310 nan 0.000 0.517 105 S N -0.386 115.126 115.700 -0.312 0.000 2.558 105 S HA 0.459 4.925 4.470 -0.006 0.000 0.277 105 S C -0.827 173.716 174.600 -0.096 0.000 1.143 105 S CA -0.591 57.515 58.200 -0.156 0.000 0.865 105 S CB 0.315 63.493 63.200 -0.037 0.000 1.102 105 S HN 0.525 nan 8.310 nan 0.000 0.454 106 F N 1.751 121.730 119.950 0.049 0.000 2.780 106 F HA 0.314 4.838 4.527 -0.005 0.000 0.299 106 F C 1.416 177.302 175.800 0.142 0.000 1.146 106 F CA 0.223 58.301 58.000 0.130 0.000 1.428 106 F CB 0.188 39.214 39.000 0.045 0.000 1.115 106 F HN 0.337 nan 8.300 nan 0.000 0.583 107 K N 2.773 123.283 120.400 0.183 0.000 2.349 107 K HA 0.165 4.481 4.320 -0.006 0.000 0.288 107 K C -2.517 173.917 176.600 -0.276 0.000 1.058 107 K CA -1.944 54.346 56.287 0.005 0.000 0.953 107 K CB 0.513 33.010 32.500 -0.005 0.000 0.997 107 K HN -0.135 nan 8.250 nan 0.000 0.477 108 P HA -0.034 nan 4.420 nan 0.000 0.267 108 P C -1.241 175.667 177.300 -0.653 0.000 1.200 108 P CA -0.341 62.132 63.100 -1.044 0.000 0.772 108 P CB 0.763 32.182 31.700 -0.468 0.000 0.855 109 V N 0.726 120.222 119.914 -0.697 0.000 3.049 109 V HA 0.381 4.498 4.120 -0.006 0.000 0.309 109 V C 0.653 176.687 176.094 -0.100 0.000 1.148 109 V CA -0.744 61.408 62.300 -0.246 0.000 0.990 109 V CB 2.148 33.905 31.823 -0.110 0.000 1.039 109 V HN 0.319 nan 8.190 nan 0.000 0.430 110 N N 2.411 121.094 118.700 -0.028 0.000 2.290 110 N HA -0.060 4.677 4.740 -0.006 0.000 0.179 110 N C 1.060 176.603 175.510 0.055 0.000 1.016 110 N CA 1.473 54.536 53.050 0.022 0.000 0.871 110 N CB -0.074 38.420 38.487 0.011 0.000 0.987 110 N HN 0.920 nan 8.380 nan 0.000 0.431 111 N N 0.709 119.437 118.700 0.048 0.000 2.320 111 N HA 0.124 4.861 4.740 -0.006 0.000 0.237 111 N C -0.268 175.278 175.510 0.060 0.000 1.129 111 N CA -0.254 52.825 53.050 0.048 0.000 0.854 111 N CB -0.098 38.411 38.487 0.037 0.000 1.083 111 N HN -0.086 nan 8.380 nan 0.000 0.504 112 A N 0.537 123.422 122.820 0.108 0.000 2.565 112 A HA 0.021 4.338 4.320 -0.006 0.000 0.237 112 A C 0.821 178.404 177.584 -0.001 0.000 1.053 112 A CA 0.003 52.109 52.037 0.115 0.000 0.755 112 A CB 0.331 19.492 19.000 0.268 0.000 0.980 112 A HN 0.278 nan 8.150 nan 0.000 0.506 113 D N 0.750 121.069 120.400 -0.135 0.000 2.137 113 D HA 0.046 4.683 4.640 -0.006 0.000 0.202 113 D C -0.263 175.754 176.300 -0.472 0.000 0.970 113 D CA 1.491 55.247 54.000 -0.407 0.000 0.837 113 D CB 0.033 40.426 40.800 -0.678 0.000 0.981 113 D HN 0.512 nan 8.370 nan 0.000 0.475 114 F N -0.111 119.869 119.950 0.051 0.000 2.577 114 F HA 0.503 5.026 4.527 -0.006 0.000 0.318 114 F C 0.046 175.825 175.800 -0.036 0.000 1.065 114 F CA -1.074 56.930 58.000 0.006 0.000 0.929 114 F CB 1.639 40.637 39.000 -0.003 0.000 1.237 114 F HN -0.349 nan 8.300 nan 0.000 0.468 115 I N 3.657 124.290 120.570 0.104 0.000 2.436 115 I HA 0.515 4.682 4.170 -0.006 0.000 0.289 115 I C -1.110 174.964 176.117 -0.071 0.000 1.010 115 I CA -0.835 60.401 61.300 -0.106 0.000 1.098 115 I CB 2.030 39.891 38.000 -0.232 0.000 1.266 115 I HN 0.541 nan 8.210 nan 0.000 0.434 116 I N 7.081 127.598 120.570 -0.089 0.000 2.498 116 I HA 0.674 4.841 4.170 -0.006 0.000 0.290 116 I C -2.815 173.275 176.117 -0.046 0.000 1.032 116 I CA -2.141 59.128 61.300 -0.052 0.000 1.073 116 I CB 2.353 40.334 38.000 -0.032 0.000 1.251 116 I HN 0.198 nan 8.210 nan 0.000 0.426 117 P HA 0.258 nan 4.420 nan 0.000 0.293 117 P C -1.107 176.215 177.300 0.037 0.000 1.300 117 P CA -0.255 62.848 63.100 0.004 0.000 0.792 117 P CB 1.595 33.290 31.700 -0.009 0.000 0.925 118 V N 3.686 123.659 119.914 0.098 0.000 2.444 118 V HA 0.226 4.343 4.120 -0.006 0.000 0.294 118 V C 0.415 176.608 176.094 0.166 0.000 1.022 118 V CA -0.630 61.744 62.300 0.124 0.000 0.850 118 V CB 1.876 33.795 31.823 0.159 0.000 0.992 118 V HN 0.533 nan 8.190 nan 0.000 0.426 119 E N 5.834 126.096 120.200 0.103 0.000 2.105 119 E HA 0.338 4.685 4.350 -0.006 0.000 0.285 119 E C -1.148 175.518 176.600 0.109 0.000 1.055 119 E CA -0.234 56.222 56.400 0.093 0.000 0.843 119 E CB 0.779 30.503 29.700 0.040 0.000 1.067 119 E HN 0.649 nan 8.360 nan 0.000 0.398 120 I N 4.543 125.217 120.570 0.172 0.000 2.354 120 I HA 0.095 4.261 4.170 -0.006 0.000 0.286 120 I C -0.284 175.890 176.117 0.096 0.000 1.007 120 I CA -0.642 60.732 61.300 0.122 0.000 1.167 120 I CB 1.071 39.132 38.000 0.100 0.000 1.320 120 I HN 0.406 nan 8.210 nan 0.000 0.458 121 D N 6.236 126.666 120.400 0.050 0.000 3.003 121 D HA -0.195 4.442 4.640 -0.006 0.000 0.223 121 D C 1.183 177.502 176.300 0.031 0.000 1.204 121 D CA 1.564 55.584 54.000 0.032 0.000 0.828 121 D CB -0.374 40.441 40.800 0.026 0.000 0.918 121 D HN 1.137 nan 8.370 nan 0.000 0.401 122 G N -0.982 107.831 108.800 0.022 0.000 2.377 122 G HA2 -0.376 3.580 3.960 -0.006 0.000 0.250 122 G HA3 -0.376 3.580 3.960 -0.006 0.000 0.250 122 G C 0.487 175.383 174.900 -0.006 0.000 1.039 122 G CA 0.415 45.519 45.100 0.007 0.000 0.625 122 G HN 0.720 nan 8.290 nan 0.000 0.526 123 V N 1.752 121.664 119.914 -0.004 0.000 2.407 123 V HA 0.568 4.684 4.120 -0.006 0.000 0.278 123 V C 0.756 176.785 176.094 -0.108 0.000 1.037 123 V CA -0.746 61.501 62.300 -0.090 0.000 0.900 123 V CB 1.782 33.509 31.823 -0.161 0.000 0.983 123 V HN 0.285 nan 8.190 nan 0.000 0.459 124 V N 6.149 125.985 119.914 -0.129 0.000 2.389 124 V HA 0.239 4.356 4.120 -0.006 0.000 0.264 124 V C 0.367 176.368 176.094 -0.155 0.000 1.049 124 V CA -0.277 61.983 62.300 -0.068 0.000 0.932 124 V CB -0.433 31.371 31.823 -0.033 0.000 1.011 124 V HN 0.807 nan 8.190 nan 0.000 0.475 125 H N 4.187 123.315 119.070 0.097 0.000 2.508 125 H HA 0.485 5.037 4.556 -0.006 0.000 0.344 125 H C -0.487 174.925 175.328 0.140 0.000 1.192 125 H CA -0.697 55.452 56.048 0.168 0.000 1.290 125 H CB 1.596 31.546 29.762 0.314 0.000 1.571 125 H HN 0.584 nan 8.280 nan 0.000 0.555 126 Q N 1.459 121.429 119.800 0.283 0.000 2.333 126 Q HA 0.398 4.735 4.340 -0.006 0.000 0.265 126 Q C -0.775 175.183 176.000 -0.070 0.000 0.989 126 Q CA -0.766 55.052 55.803 0.025 0.000 0.842 126 Q CB 2.536 31.232 28.738 -0.070 0.000 1.262 126 Q HN 0.233 nan 8.270 nan 0.000 0.451 127 V N 3.387 123.161 119.914 -0.235 0.000 2.394 127 V HA 0.276 4.393 4.120 -0.006 0.000 0.282 127 V C -0.901 175.030 176.094 -0.272 0.000 1.031 127 V CA -0.652 61.446 62.300 -0.337 0.000 0.881 127 V CB 0.346 31.967 31.823 -0.337 0.000 0.982 127 V HN 0.607 nan 8.190 nan 0.000 0.451 128 Y N 3.454 123.696 120.300 -0.096 0.000 2.326 128 Y HA 0.592 5.139 4.550 -0.006 0.000 0.337 128 Y C 0.121 176.022 175.900 0.001 0.000 1.023 128 Y CA -0.655 57.439 58.100 -0.010 0.000 1.143 128 Y CB 1.722 40.178 38.460 -0.006 0.000 1.183 128 Y HN 0.361 nan 8.280 nan 0.000 0.485 129 V N 5.683 125.706 119.914 0.182 0.000 2.444 129 V HA 0.395 4.511 4.120 -0.006 0.000 0.294 129 V C -0.418 175.756 176.094 0.133 0.000 1.022 129 V CA -1.021 61.398 62.300 0.198 0.000 0.850 129 V CB 1.596 33.623 31.823 0.339 0.000 0.992 129 V HN 0.583 nan 8.190 nan 0.000 0.426 130 L N 4.458 125.796 121.223 0.190 0.000 2.282 130 L HA 0.525 4.862 4.340 -0.006 0.000 0.288 130 L C 0.262 177.303 176.870 0.285 0.000 1.033 130 L CA -0.589 54.388 54.840 0.229 0.000 0.807 130 L CB 1.445 43.723 42.059 0.365 0.000 1.209 130 L HN 0.544 nan 8.230 nan 0.000 0.423 131 K N 3.415 123.856 120.400 0.070 0.000 2.339 131 K HA 0.216 4.533 4.320 -0.006 0.000 0.286 131 K C -0.005 176.433 176.600 -0.271 0.000 1.050 131 K CA -0.414 55.849 56.287 -0.041 0.000 0.956 131 K CB 0.846 33.275 32.500 -0.119 0.000 0.990 131 K HN 0.414 nan 8.250 nan 0.000 0.475 132 R N 4.005 124.085 120.500 -0.701 0.000 2.585 132 R HA 0.020 4.357 4.340 -0.006 0.000 0.275 132 R C -2.230 173.668 176.300 -0.670 0.000 1.018 132 R CA -1.142 54.113 56.100 -1.409 0.000 1.072 132 R CB 0.262 29.809 30.300 -1.255 0.000 0.953 132 R HN 0.286 nan 8.270 nan 0.000 0.419 133 P HA -0.006 nan 4.420 nan 0.000 0.265 133 P C -1.014 176.077 177.300 -0.350 0.000 1.193 133 P CA 0.590 63.418 63.100 -0.453 0.000 0.765 133 P CB 0.343 31.787 31.700 -0.426 0.000 0.823 134 H N -1.331 117.698 119.070 -0.070 0.000 3.415 134 H HA -0.172 4.381 4.556 -0.005 0.000 0.213 134 H C 1.127 176.479 175.328 0.039 0.000 1.091 134 H CA 0.450 56.502 56.048 0.006 0.000 1.182 134 H CB -2.081 27.707 29.762 0.043 0.000 1.160 134 H HN 0.206 nan 8.280 nan 0.000 0.319 135 V N 0.680 120.620 119.914 0.045 0.000 2.332 135 V HA -0.285 3.832 4.120 -0.006 0.000 0.248 135 V C 1.993 178.227 176.094 0.233 0.000 1.055 135 V CA 2.697 65.059 62.300 0.104 0.000 1.038 135 V CB -0.106 31.737 31.823 0.034 0.000 0.651 135 V HN 0.484 nan 8.190 nan 0.000 0.450 136 D N -0.631 119.908 120.400 0.232 0.000 2.097 136 D HA -0.194 4.442 4.640 -0.006 0.000 0.197 136 D C 2.107 178.363 176.300 -0.072 0.000 0.984 136 D CA 1.713 55.913 54.000 0.335 0.000 0.826 136 D CB -0.230 40.835 40.800 0.442 0.000 0.973 136 D HN 0.661 nan 8.370 nan 0.000 0.460 137 E N -0.255 119.962 120.200 0.027 0.000 2.085 137 E HA -0.189 4.158 4.350 -0.006 0.000 0.194 137 E C 2.043 178.569 176.600 -0.122 0.000 0.994 137 E CA 0.603 56.968 56.400 -0.059 0.000 0.801 137 E CB -0.141 29.612 29.700 0.089 0.000 0.743 137 E HN 0.200 nan 8.360 nan 0.000 0.453 138 F N 0.841 120.715 119.950 -0.127 0.000 2.146 138 F HA -0.084 4.440 4.527 -0.005 0.000 0.298 138 F C 1.932 177.602 175.800 -0.217 0.000 1.096 138 F CA 1.078 59.006 58.000 -0.120 0.000 1.275 138 F CB -0.072 38.904 39.000 -0.040 0.000 1.008 138 F HN -0.016 nan 8.300 nan 0.000 0.480 139 L N -0.090 121.024 121.223 -0.181 0.000 2.179 139 L HA -0.144 4.193 4.340 -0.006 0.000 0.208 139 L C 2.501 179.011 176.870 -0.601 0.000 1.096 139 L CA 1.261 55.897 54.840 -0.341 0.000 0.779 139 L CB -0.567 41.481 42.059 -0.019 0.000 0.922 139 L HN 0.295 nan 8.230 nan 0.000 0.443 140 Q N -0.045 119.171 119.800 -0.974 0.000 2.079 140 Q HA -0.259 4.078 4.340 -0.006 0.000 0.200 140 Q C 2.257 177.901 176.000 -0.594 0.000 0.974 140 Q CA 1.399 56.544 55.803 -1.097 0.000 0.840 140 Q CB 0.139 27.994 28.738 -1.472 0.000 0.898 140 Q HN 0.158 nan 8.270 nan 0.000 0.430 141 R N 0.142 120.332 120.500 -0.516 0.000 2.061 141 R HA -0.045 4.292 4.340 -0.006 0.000 0.230 141 R C 2.185 178.252 176.300 -0.388 0.000 1.140 141 R CA 1.959 57.827 56.100 -0.388 0.000 0.940 141 R CB -0.452 29.657 30.300 -0.317 0.000 0.839 141 R HN 0.316 nan 8.270 nan 0.000 0.429 142 M N -0.367 118.930 119.600 -0.504 0.000 2.144 142 M HA -0.077 4.400 4.480 -0.006 0.000 0.260 142 M C 2.160 178.315 176.300 -0.241 0.000 1.067 142 M CA 1.951 57.011 55.300 -0.401 0.000 1.095 142 M CB -1.401 30.778 32.600 -0.701 0.000 1.365 142 M HN 0.430 nan 8.290 nan 0.000 0.406 143 G N -0.104 108.517 108.800 -0.299 0.000 2.443 143 G HA2 -0.181 3.775 3.960 -0.006 0.000 0.219 143 G HA3 -0.181 3.775 3.960 -0.006 0.000 0.219 143 G C 1.513 176.311 174.900 -0.169 0.000 1.131 143 G CA 0.597 45.574 45.100 -0.204 0.000 0.775 143 G HN 0.541 nan 8.290 nan 0.000 0.547 144 E N -0.089 119.981 120.200 -0.216 0.000 2.051 144 E HA 0.080 4.427 4.350 -0.006 0.000 0.189 144 E C 2.503 178.951 176.600 -0.252 0.000 0.979 144 E CA 0.244 56.524 56.400 -0.199 0.000 0.803 144 E CB -0.129 29.448 29.700 -0.204 0.000 0.761 144 E HN 0.344 nan 8.360 nan 0.000 0.451 145 L N -0.155 120.850 121.223 -0.362 0.000 2.141 145 L HA -0.033 4.303 4.340 -0.006 0.000 0.209 145 L C 0.368 176.742 176.870 -0.825 0.000 1.094 145 L CA 0.735 55.175 54.840 -0.667 0.000 0.763 145 L CB -0.004 41.487 42.059 -0.946 0.000 0.908 145 L HN 0.005 nan 8.230 nan 0.000 0.437 146 F N -2.186 117.670 119.950 -0.157 0.000 2.675 146 F HA 0.303 4.827 4.527 -0.005 0.000 0.324 146 F C 0.178 175.914 175.800 -0.106 0.000 1.106 146 F CA -1.257 56.668 58.000 -0.125 0.000 0.970 146 F CB 1.026 39.939 39.000 -0.146 0.000 1.385 146 F HN -0.317 nan 8.300 nan 0.000 0.489 147 E N 1.337 121.635 120.200 0.165 0.000 2.001 147 E HA 0.330 4.677 4.350 -0.006 0.000 0.279 147 E C -1.366 175.274 176.600 0.068 0.000 1.045 147 E CA -0.251 56.191 56.400 0.070 0.000 0.833 147 E CB 0.451 30.174 29.700 0.039 0.000 1.077 147 E HN 0.578 nan 8.360 nan 0.000 0.397 148 C N 4.152 123.491 119.300 0.065 0.000 2.435 148 C HA 0.408 4.865 4.460 -0.006 0.000 0.375 148 C C 0.070 175.183 174.990 0.204 0.000 1.281 148 C CA -0.675 58.400 59.018 0.094 0.000 1.963 148 C CB 0.247 27.992 27.740 0.009 0.000 2.490 148 C HN 0.481 nan 8.230 nan 0.000 0.557 149 V N 4.959 124.984 119.914 0.184 0.000 2.588 149 V HA 0.364 4.481 4.120 -0.006 0.000 0.304 149 V C -0.281 175.829 176.094 0.027 0.000 1.042 149 V CA -0.531 61.824 62.300 0.091 0.000 0.877 149 V CB 1.683 33.489 31.823 -0.028 0.000 0.996 149 V HN 0.696 nan 8.190 nan 0.000 0.425 150 L N 5.669 126.714 121.223 -0.297 0.000 2.281 150 L HA 0.576 4.912 4.340 -0.006 0.000 0.285 150 L C -1.162 175.545 176.870 -0.272 0.000 1.074 150 L CA 0.452 54.965 54.840 -0.545 0.000 0.817 150 L CB 0.503 41.871 42.059 -1.152 0.000 1.168 150 L HN 0.538 nan 8.230 nan 0.000 0.434 151 F N 4.572 124.373 119.950 -0.249 0.000 2.536 151 F HA 0.639 5.163 4.527 -0.006 0.000 0.322 151 F C -0.476 175.258 175.800 -0.109 0.000 1.144 151 F CA -0.523 57.366 58.000 -0.185 0.000 0.924 151 F CB 1.655 40.599 39.000 -0.092 0.000 1.181 151 F HN 0.554 nan 8.300 nan 0.000 0.438 152 T N 3.255 118.004 114.554 0.324 0.000 2.900 152 T HA 0.647 4.994 4.350 -0.006 0.000 0.303 152 T C 0.188 174.972 174.700 0.140 0.000 1.142 152 T CA 0.178 62.367 62.100 0.149 0.000 1.007 152 T CB 1.634 70.585 68.868 0.138 0.000 1.156 152 T HN 0.663 nan 8.240 nan 0.000 0.490 153 A N 2.188 125.040 122.820 0.053 0.000 2.238 153 A HA 0.403 4.720 4.320 -0.006 0.000 0.208 153 A C 1.123 178.654 177.584 -0.090 0.000 1.177 153 A CA 0.168 52.169 52.037 -0.060 0.000 0.804 153 A CB -0.274 18.696 19.000 -0.051 0.000 0.823 153 A HN 0.656 nan 8.150 nan 0.000 0.482 154 S N -0.346 115.404 115.700 0.084 0.000 2.603 154 S HA 0.501 4.967 4.470 -0.006 0.000 0.268 154 S C 0.122 174.802 174.600 0.133 0.000 1.317 154 S CA -0.478 57.807 58.200 0.142 0.000 1.012 154 S CB 0.693 64.114 63.200 0.368 0.000 0.926 154 S HN 0.384 nan 8.310 nan 0.000 0.539 155 L N 1.797 123.066 121.223 0.077 0.000 2.417 155 L HA 0.247 4.584 4.340 -0.006 0.000 0.268 155 L C 1.660 178.431 176.870 -0.165 0.000 1.158 155 L CA -0.425 54.407 54.840 -0.014 0.000 0.819 155 L CB 0.292 42.337 42.059 -0.024 0.000 1.112 155 L HN 0.886 nan 8.230 nan 0.000 0.458 156 A N 3.029 125.542 122.820 -0.512 0.000 1.927 156 A HA -0.244 4.073 4.320 -0.006 0.000 0.220 156 A C 2.070 179.351 177.584 -0.505 0.000 1.185 156 A CA 2.246 53.648 52.037 -1.059 0.000 0.639 156 A CB -0.627 17.721 19.000 -1.086 0.000 0.820 156 A HN 0.927 nan 8.150 nan 0.000 0.451 157 K N -2.084 118.162 120.400 -0.256 0.000 2.280 157 K HA -0.169 4.147 4.320 -0.006 0.000 0.202 157 K C 1.838 178.409 176.600 -0.049 0.000 1.047 157 K CA 1.684 57.894 56.287 -0.129 0.000 0.942 157 K CB -0.405 32.061 32.500 -0.057 0.000 0.739 157 K HN 0.594 nan 8.250 nan 0.000 0.457 158 Y N 1.013 121.227 120.300 -0.144 0.000 2.266 158 Y HA 0.270 4.817 4.550 -0.005 0.000 0.294 158 Y C 2.413 178.255 175.900 -0.097 0.000 1.127 158 Y CA 0.765 58.801 58.100 -0.107 0.000 1.140 158 Y CB -0.341 38.072 38.460 -0.079 0.000 1.071 158 Y HN 0.030 nan 8.280 nan 0.000 0.525 159 A N -0.139 122.431 122.820 -0.417 0.000 1.930 159 A HA -0.082 4.235 4.320 -0.006 0.000 0.215 159 A C 1.821 179.282 177.584 -0.206 0.000 1.176 159 A CA 1.711 53.510 52.037 -0.398 0.000 0.632 159 A CB -0.879 18.180 19.000 0.098 0.000 0.819 159 A HN 0.533 nan 8.150 nan 0.000 0.445 160 D N -0.179 120.081 120.400 -0.235 0.000 2.117 160 D HA -0.067 4.569 4.640 -0.006 0.000 0.197 160 D C -0.699 175.507 176.300 -0.157 0.000 0.987 160 D CA 1.397 55.321 54.000 -0.127 0.000 0.829 160 D CB -0.758 39.881 40.800 -0.268 0.000 0.961 160 D HN 0.286 nan 8.370 nan 0.000 0.460 161 P HA -0.059 nan 4.420 nan 0.000 0.219 161 P C 1.574 178.699 177.300 -0.291 0.000 1.150 161 P CA 0.583 63.554 63.100 -0.214 0.000 0.814 161 P CB 0.217 31.804 31.700 -0.187 0.000 0.787 162 V N 0.260 119.964 119.914 -0.350 0.000 2.358 162 V HA -0.230 3.886 4.120 -0.006 0.000 0.246 162 V C 2.442 178.375 176.094 -0.267 0.000 1.047 162 V CA 2.250 64.323 62.300 -0.378 0.000 1.035 162 V CB -1.673 29.912 31.823 -0.396 0.000 0.658 162 V HN 0.097 nan 8.190 nan 0.000 0.452 163 A N -0.176 122.557 122.820 -0.145 0.000 1.898 163 A HA -0.229 4.088 4.320 -0.006 0.000 0.216 163 A C 1.960 179.533 177.584 -0.018 0.000 1.181 163 A CA 1.846 53.889 52.037 0.011 0.000 0.620 163 A CB -0.658 18.345 19.000 0.005 0.000 0.819 163 A HN 0.509 nan 8.150 nan 0.000 0.442 164 D N 0.008 120.351 120.400 -0.096 0.000 2.149 164 D HA -0.166 4.471 4.640 -0.006 0.000 0.194 164 D C 1.736 177.914 176.300 -0.203 0.000 1.001 164 D CA 1.388 55.313 54.000 -0.124 0.000 0.849 164 D CB -0.251 40.468 40.800 -0.135 0.000 0.939 164 D HN 0.463 nan 8.370 nan 0.000 0.449 165 L N -0.324 120.679 121.223 -0.367 0.000 2.307 165 L HA 0.070 4.406 4.340 -0.006 0.000 0.211 165 L C 2.338 178.969 176.870 -0.399 0.000 1.099 165 L CA 0.134 54.646 54.840 -0.547 0.000 0.816 165 L CB 0.136 41.483 42.059 -1.187 0.000 0.952 165 L HN 0.056 nan 8.230 nan 0.000 0.455 166 L N -0.395 120.681 121.223 -0.244 0.000 2.102 166 L HA -0.044 4.293 4.340 -0.006 0.000 0.202 166 L C 0.564 177.455 176.870 0.034 0.000 1.076 166 L CA 0.936 55.834 54.840 0.097 0.000 0.761 166 L CB 0.062 42.252 42.059 0.218 0.000 0.921 166 L HN 0.226 nan 8.230 nan 0.000 0.444 167 D N 0.550 120.960 120.400 0.018 0.000 2.558 167 D HA 0.019 4.656 4.640 -0.006 0.000 0.221 167 D C 1.034 177.182 176.300 -0.253 0.000 1.143 167 D CA 0.033 54.040 54.000 0.011 0.000 1.010 167 D CB 0.444 41.331 40.800 0.146 0.000 1.068 167 D HN 0.209 nan 8.370 nan 0.000 0.511 168 K N 1.246 121.177 120.400 -0.780 0.000 2.442 168 K HA -0.034 4.283 4.320 -0.006 0.000 0.198 168 K C 0.880 176.991 176.600 -0.814 0.000 1.042 168 K CA 0.579 56.308 56.287 -0.930 0.000 0.958 168 K CB 0.269 32.097 32.500 -1.119 0.000 0.766 168 K HN 0.476 nan 8.250 nan 0.000 0.474 169 W N 0.424 121.695 121.300 -0.047 0.000 3.127 169 W HA 0.297 4.955 4.660 -0.004 0.000 0.344 169 W C 0.548 177.027 176.519 -0.066 0.000 1.151 169 W CA 0.076 57.386 57.345 -0.058 0.000 1.765 169 W CB 0.294 29.708 29.460 -0.077 0.000 1.085 169 W HN 0.311 nan 8.180 nan 0.000 0.596 170 G N 1.285 110.155 108.800 0.115 0.000 2.176 170 G HA2 -0.303 3.654 3.960 -0.006 0.000 0.252 170 G HA3 -0.303 3.654 3.960 -0.006 0.000 0.252 170 G C 1.221 176.151 174.900 0.050 0.000 1.024 170 G CA 0.451 45.595 45.100 0.073 0.000 0.755 170 G HN 0.294 nan 8.290 nan 0.000 0.507 171 A N -0.694 122.130 122.820 0.008 0.000 1.940 171 A HA 0.296 4.613 4.320 -0.006 0.000 0.219 171 A C 0.961 178.461 177.584 -0.140 0.000 1.176 171 A CA 1.220 53.166 52.037 -0.151 0.000 0.631 171 A CB -0.236 18.567 19.000 -0.328 0.000 0.814 171 A HN 0.760 nan 8.150 nan 0.000 0.446 172 F N 0.334 120.312 119.950 0.047 0.000 2.438 172 F HA 0.330 4.854 4.527 -0.005 0.000 0.360 172 F C 1.332 177.127 175.800 -0.007 0.000 1.118 172 F CA -0.718 57.288 58.000 0.010 0.000 1.164 172 F CB 0.812 39.815 39.000 0.004 0.000 1.131 172 F HN 0.042 nan 8.300 nan 0.000 0.527 173 R N 2.062 122.657 120.500 0.158 0.000 2.193 173 R HA 0.284 4.621 4.340 -0.006 0.000 0.213 173 R C 0.447 176.772 176.300 0.042 0.000 1.055 173 R CA 0.409 56.552 56.100 0.072 0.000 0.995 173 R CB -0.519 29.802 30.300 0.035 0.000 0.893 173 R HN 0.572 nan 8.270 nan 0.000 0.459 174 A N 0.581 123.419 122.820 0.030 0.000 2.602 174 A HA 0.770 5.087 4.320 -0.006 0.000 0.290 174 A C -1.232 176.251 177.584 -0.168 0.000 1.114 174 A CA -0.829 51.169 52.037 -0.065 0.000 0.683 174 A CB 1.576 20.512 19.000 -0.106 0.000 1.281 174 A HN 0.116 nan 8.150 nan 0.000 0.416 175 R N 0.014 120.339 120.500 -0.292 0.000 2.538 175 R HA 0.650 4.987 4.340 -0.006 0.000 0.292 175 R C -1.767 174.013 176.300 -0.868 0.000 1.008 175 R CA -0.407 55.351 56.100 -0.570 0.000 0.896 175 R CB 1.819 31.838 30.300 -0.468 0.000 1.187 175 R HN 0.558 nan 8.270 nan 0.000 0.440 176 L N 3.253 123.901 121.223 -0.958 0.000 2.381 176 L HA 0.646 4.983 4.340 -0.006 0.000 0.268 176 L C -0.872 175.527 176.870 -0.786 0.000 0.997 176 L CA -0.760 53.531 54.840 -0.915 0.000 0.818 176 L CB 1.222 42.708 42.059 -0.955 0.000 1.310 176 L HN 0.415 nan 8.230 nan 0.000 0.416 177 F N -0.361 119.611 119.950 0.035 0.000 2.746 177 F HA 0.505 5.029 4.527 -0.005 0.000 0.378 177 F C 1.380 177.247 175.800 0.111 0.000 1.165 177 F CA -0.962 57.079 58.000 0.069 0.000 1.089 177 F CB 0.612 39.616 39.000 0.007 0.000 1.439 177 F HN 0.350 nan 8.300 nan 0.000 0.516 178 R N 0.480 121.133 120.500 0.256 0.000 2.119 178 R HA -0.216 4.121 4.340 -0.006 0.000 0.246 178 R C 1.363 177.745 176.300 0.137 0.000 1.146 178 R CA 2.463 58.590 56.100 0.044 0.000 0.962 178 R CB -0.283 29.908 30.300 -0.182 0.000 0.863 178 R HN 0.697 nan 8.270 nan 0.000 0.442 179 E N -0.181 120.120 120.200 0.168 0.000 2.333 179 E HA -0.088 4.259 4.350 -0.006 0.000 0.198 179 E C 1.662 178.389 176.600 0.211 0.000 1.007 179 E CA 1.371 57.878 56.400 0.178 0.000 0.845 179 E CB -0.022 29.763 29.700 0.141 0.000 0.766 179 E HN 0.223 nan 8.360 nan 0.000 0.507 180 S N -0.236 115.608 115.700 0.240 0.000 2.501 180 S HA 0.055 4.521 4.470 -0.006 0.000 0.220 180 S C 0.800 175.668 174.600 0.445 0.000 0.997 180 S CA -0.197 58.155 58.200 0.254 0.000 0.919 180 S CB -0.036 63.198 63.200 0.057 0.000 0.778 180 S HN 0.309 nan 8.310 nan 0.000 0.523 181 C N 1.986 121.560 119.300 0.456 0.000 2.705 181 C HA 0.379 4.836 4.460 -0.006 0.000 0.382 181 C C 0.683 175.888 174.990 0.359 0.000 1.322 181 C CA -0.808 58.432 59.018 0.370 0.000 2.290 181 C CB 0.011 27.944 27.740 0.323 0.000 2.650 181 C HN 0.184 nan 8.230 nan 0.000 0.695 182 V N 2.378 122.459 119.914 0.279 0.000 2.347 182 V HA 0.246 4.363 4.120 -0.006 0.000 0.280 182 V C -0.286 175.949 176.094 0.235 0.000 1.021 182 V CA -0.241 62.221 62.300 0.268 0.000 0.847 182 V CB 0.823 32.812 31.823 0.277 0.000 0.990 182 V HN 0.667 nan 8.190 nan 0.000 0.444 183 F N 5.843 125.835 119.950 0.069 0.000 2.444 183 F HA 0.476 4.999 4.527 -0.006 0.000 0.360 183 F C -0.012 175.794 175.800 0.011 0.000 1.106 183 F CA 0.027 57.929 58.000 -0.163 0.000 1.170 183 F CB 0.026 38.817 39.000 -0.348 0.000 1.113 183 F HN 0.605 nan 8.300 nan 0.000 0.521 184 H N 5.605 124.244 119.070 -0.718 0.000 3.083 184 H HA 0.249 4.802 4.556 -0.005 0.000 0.339 184 H C 0.115 175.127 175.328 -0.526 0.000 1.020 184 H CA -0.714 55.072 56.048 -0.438 0.000 1.360 184 H CB 0.813 30.544 29.762 -0.053 0.000 1.811 184 H HN 0.726 nan 8.280 nan 0.000 0.493 185 R N 3.108 123.117 120.500 -0.819 0.000 3.422 185 R HA -0.213 4.124 4.340 -0.006 0.000 0.267 185 R C 1.014 177.035 176.300 -0.466 0.000 1.074 185 R CA 1.640 57.395 56.100 -0.575 0.000 0.718 185 R CB -1.748 28.272 30.300 -0.465 0.000 1.157 185 R HN 1.201 nan 8.270 nan 0.000 0.440 186 G N -1.989 106.395 108.800 -0.694 0.000 2.245 186 G HA2 -0.368 3.588 3.960 -0.006 0.000 0.264 186 G HA3 -0.368 3.588 3.960 -0.006 0.000 0.264 186 G C 0.014 174.785 174.900 -0.214 0.000 0.985 186 G CA 0.381 45.247 45.100 -0.391 0.000 0.625 186 G HN 0.545 nan 8.290 nan 0.000 0.536 187 N N -0.643 117.813 118.700 -0.406 0.000 2.362 187 N HA 0.553 5.290 4.740 -0.006 0.000 0.299 187 N C -1.258 174.197 175.510 -0.091 0.000 1.170 187 N CA -0.530 52.465 53.050 -0.092 0.000 0.825 187 N CB 1.079 39.519 38.487 -0.079 0.000 1.299 187 N HN 0.065 nan 8.380 nan 0.000 0.502 188 Y N 0.460 120.880 120.300 0.201 0.000 2.425 188 Y HA 0.244 4.791 4.550 -0.006 0.000 0.347 188 Y C 0.299 176.172 175.900 -0.045 0.000 0.976 188 Y CA -0.424 57.775 58.100 0.164 0.000 1.190 188 Y CB 0.732 39.285 38.460 0.155 0.000 1.136 188 Y HN 0.068 nan 8.280 nan 0.000 0.517 189 V N 4.739 124.643 119.914 -0.016 0.000 2.439 189 V HA 0.240 4.357 4.120 -0.006 0.000 0.282 189 V C -0.162 175.776 176.094 -0.260 0.000 1.039 189 V CA -1.356 60.785 62.300 -0.266 0.000 0.913 189 V CB 1.393 32.805 31.823 -0.685 0.000 0.983 189 V HN 0.507 nan 8.190 nan 0.000 0.460 190 K N 3.020 123.210 120.400 -0.351 0.000 2.167 190 K HA 0.150 4.466 4.320 -0.006 0.000 0.275 190 K C -0.069 176.466 176.600 -0.109 0.000 1.103 190 K CA 0.010 55.962 56.287 -0.558 0.000 0.963 190 K CB -0.258 31.847 32.500 -0.658 0.000 1.243 190 K HN 0.558 nan 8.250 nan 0.000 0.407 191 D N 3.780 124.246 120.400 0.110 0.000 2.455 191 D HA 0.016 4.653 4.640 -0.006 0.000 0.234 191 D C 0.825 177.340 176.300 0.359 0.000 1.224 191 D CA 0.006 54.235 54.000 0.383 0.000 0.999 191 D CB 0.247 41.329 40.800 0.470 0.000 1.072 191 D HN 0.395 nan 8.370 nan 0.000 0.514 192 L N 1.735 123.033 121.223 0.126 0.000 2.081 192 L HA -0.228 4.109 4.340 -0.006 0.000 0.212 192 L C 2.209 179.063 176.870 -0.027 0.000 1.080 192 L CA 0.895 55.665 54.840 -0.116 0.000 0.754 192 L CB -0.633 41.106 42.059 -0.533 0.000 0.893 192 L HN 0.269 nan 8.230 nan 0.000 0.433 193 S N -0.345 115.418 115.700 0.105 0.000 2.462 193 S HA -0.151 4.316 4.470 -0.006 0.000 0.243 193 S C 1.858 176.616 174.600 0.263 0.000 1.003 193 S CA 1.072 59.414 58.200 0.236 0.000 0.970 193 S CB -0.318 63.092 63.200 0.351 0.000 0.762 193 S HN 0.419 nan 8.310 nan 0.000 0.510 194 R N -0.017 120.647 120.500 0.272 0.000 2.276 194 R HA 0.189 4.526 4.340 -0.006 0.000 0.196 194 R C 1.354 177.823 176.300 0.281 0.000 0.961 194 R CA 0.021 56.311 56.100 0.316 0.000 1.024 194 R CB -0.262 30.203 30.300 0.275 0.000 0.940 194 R HN 0.301 nan 8.270 nan 0.000 0.480 195 L N 0.243 121.531 121.223 0.108 0.000 1.994 195 L HA -0.025 4.312 4.340 -0.006 0.000 0.208 195 L C 1.268 177.972 176.870 -0.277 0.000 1.071 195 L CA 2.174 56.987 54.840 -0.046 0.000 0.745 195 L CB -0.982 41.041 42.059 -0.061 0.000 0.892 195 L HN 0.485 nan 8.230 nan 0.000 0.431 196 G N -0.345 108.106 108.800 -0.582 0.000 2.325 196 G HA2 -0.231 3.726 3.960 -0.006 0.000 0.248 196 G HA3 -0.231 3.726 3.960 -0.006 0.000 0.248 196 G C 0.145 174.745 174.900 -0.501 0.000 1.108 196 G CA 0.268 44.643 45.100 -1.208 0.000 0.881 196 G HN 0.358 nan 8.290 nan 0.000 0.494 197 R N -0.496 119.825 120.500 -0.298 0.000 2.774 197 R HA 0.580 4.916 4.340 -0.006 0.000 0.272 197 R C -1.325 174.911 176.300 -0.107 0.000 1.000 197 R CA -0.831 55.169 56.100 -0.167 0.000 0.906 197 R CB 1.287 31.512 30.300 -0.124 0.000 1.227 197 R HN 0.168 nan 8.270 nan 0.000 0.468 198 D N 2.586 122.944 120.400 -0.070 0.000 2.249 198 D HA 0.112 4.748 4.640 -0.006 0.000 0.246 198 D C 0.707 176.987 176.300 -0.034 0.000 1.114 198 D CA -0.094 53.886 54.000 -0.033 0.000 0.854 198 D CB 1.181 41.968 40.800 -0.021 0.000 1.132 198 D HN 0.540 nan 8.370 nan 0.000 0.461 199 L N 3.398 124.626 121.223 0.008 0.000 2.362 199 L HA -0.052 4.285 4.340 -0.006 0.000 0.219 199 L C 2.006 178.790 176.870 -0.144 0.000 1.134 199 L CA 0.532 55.371 54.840 -0.002 0.000 0.807 199 L CB -0.085 42.062 42.059 0.148 0.000 0.927 199 L HN 0.267 nan 8.230 nan 0.000 0.447 200 R N 0.031 120.472 120.500 -0.098 0.000 2.235 200 R HA -0.010 4.327 4.340 -0.006 0.000 0.213 200 R C 0.998 177.158 176.300 -0.233 0.000 1.059 200 R CA 0.658 56.607 56.100 -0.253 0.000 0.997 200 R CB -0.086 30.195 30.300 -0.032 0.000 0.884 200 R HN 0.236 nan 8.270 nan 0.000 0.462 201 R N 0.277 120.691 120.500 -0.142 0.000 2.748 201 R HA 0.281 4.618 4.340 -0.006 0.000 0.395 201 R C -1.074 175.172 176.300 -0.090 0.000 1.128 201 R CA -0.134 55.910 56.100 -0.094 0.000 1.042 201 R CB 1.231 31.504 30.300 -0.046 0.000 1.392 201 R HN -0.087 nan 8.270 nan 0.000 0.582 202 V N 1.851 121.681 119.914 -0.139 0.000 2.588 202 V HA 0.473 4.590 4.120 -0.006 0.000 0.304 202 V C -0.365 175.646 176.094 -0.139 0.000 1.042 202 V CA -0.793 61.435 62.300 -0.120 0.000 0.877 202 V CB 2.495 34.255 31.823 -0.105 0.000 0.996 202 V HN 0.215 nan 8.190 nan 0.000 0.425 203 L N 4.756 125.903 121.223 -0.125 0.000 2.342 203 L HA 0.693 5.030 4.340 -0.006 0.000 0.271 203 L C -0.766 176.066 176.870 -0.064 0.000 1.008 203 L CA -0.734 54.047 54.840 -0.098 0.000 0.818 203 L CB 2.232 44.245 42.059 -0.078 0.000 1.296 203 L HN 0.590 nan 8.230 nan 0.000 0.427 204 I N 2.727 123.264 120.570 -0.055 0.000 2.382 204 I HA 0.383 4.550 4.170 -0.006 0.000 0.286 204 I C -1.092 175.024 176.117 -0.003 0.000 1.002 204 I CA -0.477 60.809 61.300 -0.023 0.000 1.135 204 I CB 1.440 39.425 38.000 -0.024 0.000 1.288 204 I HN 0.445 nan 8.210 nan 0.000 0.448 205 L N 8.581 129.855 121.223 0.086 0.000 2.260 205 L HA 0.871 5.208 4.340 -0.006 0.000 0.289 205 L C -0.511 176.447 176.870 0.148 0.000 1.057 205 L CA 0.158 55.089 54.840 0.152 0.000 0.811 205 L CB 0.456 42.652 42.059 0.229 0.000 1.184 205 L HN 0.786 nan 8.230 nan 0.000 0.429 206 A N 4.209 127.133 122.820 0.174 0.000 2.547 206 A HA 0.387 4.704 4.320 -0.006 0.000 0.297 206 A C 0.198 177.921 177.584 0.233 0.000 1.056 206 A CA -0.428 51.747 52.037 0.230 0.000 0.688 206 A CB 0.926 20.135 19.000 0.348 0.000 1.282 206 A HN 0.742 nan 8.150 nan 0.000 0.400 207 N N 0.503 119.290 118.700 0.146 0.000 2.446 207 N HA -0.001 4.736 4.740 -0.006 0.000 0.179 207 N C 0.183 175.747 175.510 0.090 0.000 1.054 207 N CA 0.848 53.961 53.050 0.106 0.000 0.905 207 N CB 0.543 39.062 38.487 0.054 0.000 0.973 207 N HN 0.360 nan 8.380 nan 0.000 0.448 208 S N 0.966 116.702 115.700 0.058 0.000 2.596 208 S HA 0.414 4.881 4.470 -0.006 0.000 0.318 208 S C -1.893 172.516 174.600 -0.318 0.000 1.097 208 S CA -1.608 56.559 58.200 -0.054 0.000 1.080 208 S CB 1.747 64.922 63.200 -0.041 0.000 0.991 208 S HN -0.164 nan 8.310 nan 0.000 0.471 209 P HA -0.157 nan 4.420 nan 0.000 0.217 209 P C 1.295 178.148 177.300 -0.746 0.000 1.151 209 P CA 1.515 64.165 63.100 -0.749 0.000 0.849 209 P CB 0.121 31.672 31.700 -0.249 0.000 0.787 210 A N -0.802 121.792 122.820 -0.377 0.000 2.024 210 A HA -0.192 4.124 4.320 -0.006 0.000 0.220 210 A C 2.224 179.640 177.584 -0.280 0.000 1.164 210 A CA 2.081 53.962 52.037 -0.261 0.000 0.643 210 A CB -1.395 17.525 19.000 -0.134 0.000 0.806 210 A HN 0.202 nan 8.150 nan 0.000 0.451 211 S N -1.092 114.424 115.700 -0.308 0.000 2.423 211 S HA -0.093 4.374 4.470 -0.006 0.000 0.231 211 S C 1.057 175.565 174.600 -0.153 0.000 1.014 211 S CA 1.279 59.364 58.200 -0.191 0.000 0.965 211 S CB -0.416 62.734 63.200 -0.083 0.000 0.785 211 S HN 0.971 nan 8.310 nan 0.000 0.495 212 Y N -0.500 119.753 120.300 -0.077 0.000 2.716 212 Y HA 0.570 5.117 4.550 -0.005 0.000 0.260 212 Y C 1.160 177.065 175.900 0.008 0.000 1.141 212 Y CA -1.012 57.076 58.100 -0.019 0.000 1.168 212 Y CB -1.193 37.295 38.460 0.047 0.000 1.189 212 Y HN 0.006 nan 8.280 nan 0.000 0.549 213 V N -2.691 117.174 119.914 -0.081 0.000 2.392 213 V HA -0.262 3.855 4.120 -0.006 0.000 0.249 213 V C 1.742 177.958 176.094 0.205 0.000 1.059 213 V CA 1.539 63.853 62.300 0.023 0.000 1.051 213 V CB -1.029 30.785 31.823 -0.015 0.000 0.658 213 V HN 0.307 nan 8.190 nan 0.000 0.455 214 F N 1.440 121.366 119.950 -0.041 0.000 2.494 214 F HA 0.097 4.620 4.527 -0.006 0.000 0.298 214 F C 1.169 176.644 175.800 -0.542 0.000 1.106 214 F CA 0.720 58.559 58.000 -0.268 0.000 1.452 214 F CB -1.410 37.394 39.000 -0.326 0.000 1.085 214 F HN 0.478 nan 8.300 nan 0.000 0.569 215 H N -2.019 117.228 119.070 0.295 0.000 3.080 215 H HA 0.172 4.725 4.556 -0.006 0.000 0.211 215 H C -1.976 173.485 175.328 0.221 0.000 1.359 215 H CA -0.971 55.217 56.048 0.234 0.000 1.322 215 H CB 0.228 30.121 29.762 0.218 0.000 2.164 215 H HN -0.172 nan 8.280 nan 0.000 0.526 216 P HA -0.041 nan 4.420 nan 0.000 0.237 216 P C 0.366 177.765 177.300 0.165 0.000 1.178 216 P CA 0.849 64.136 63.100 0.313 0.000 0.766 216 P CB 0.649 32.519 31.700 0.284 0.000 0.876 217 D N -0.376 120.136 120.400 0.186 0.000 2.360 217 D HA 0.021 4.657 4.640 -0.006 0.000 0.210 217 D C 0.684 177.163 176.300 0.298 0.000 1.047 217 D CA 0.367 54.488 54.000 0.200 0.000 0.854 217 D CB -0.360 40.518 40.800 0.130 0.000 0.936 217 D HN 0.151 nan 8.370 nan 0.000 0.514 218 N N 0.355 119.198 118.700 0.239 0.000 2.370 218 N HA 0.138 4.875 4.740 -0.006 0.000 0.198 218 N C -0.041 175.417 175.510 -0.088 0.000 1.156 218 N CA -0.024 53.067 53.050 0.069 0.000 0.839 218 N CB 0.605 39.119 38.487 0.044 0.000 0.989 218 N HN 0.008 nan 8.380 nan 0.000 0.468 219 A N 0.054 122.761 122.820 -0.189 0.000 2.312 219 A HA 0.588 4.905 4.320 -0.006 0.000 0.326 219 A C -0.409 177.055 177.584 -0.200 0.000 1.172 219 A CA -0.549 51.227 52.037 -0.434 0.000 0.821 219 A CB 0.937 19.223 19.000 -1.191 0.000 1.166 219 A HN 0.019 nan 8.150 nan 0.000 0.493 220 V N 4.494 124.334 119.914 -0.123 0.000 2.293 220 V HA 0.313 4.429 4.120 -0.006 0.000 0.275 220 V C -2.368 173.714 176.094 -0.021 0.000 1.021 220 V CA -1.474 60.803 62.300 -0.038 0.000 0.815 220 V CB 0.881 32.747 31.823 0.072 0.000 1.025 220 V HN 0.785 nan 8.190 nan 0.000 0.448 221 P HA 0.290 nan 4.420 nan 0.000 0.275 221 P C -0.730 176.597 177.300 0.045 0.000 1.227 221 P CA -0.057 63.081 63.100 0.065 0.000 0.781 221 P CB 1.392 33.139 31.700 0.079 0.000 0.906 222 V N 2.258 122.220 119.914 0.079 0.000 2.638 222 V HA 0.653 4.770 4.120 -0.006 0.000 0.306 222 V C -0.438 175.693 176.094 0.062 0.000 1.052 222 V CA -1.072 61.259 62.300 0.052 0.000 0.885 222 V CB 1.633 33.480 31.823 0.039 0.000 0.999 222 V HN 0.750 nan 8.190 nan 0.000 0.424 223 A N 4.823 127.678 122.820 0.057 0.000 2.565 223 A HA 0.374 4.691 4.320 -0.006 0.000 0.237 223 A C 0.736 178.365 177.584 0.075 0.000 1.053 223 A CA 0.531 52.614 52.037 0.076 0.000 0.755 223 A CB -0.143 18.911 19.000 0.089 0.000 0.980 223 A HN 1.144 nan 8.150 nan 0.000 0.506 224 S N 1.336 117.071 115.700 0.058 0.000 2.575 224 S HA 0.118 4.585 4.470 -0.006 0.000 0.295 224 S C -0.411 174.113 174.600 -0.128 0.000 1.267 224 S CA 0.541 58.703 58.200 -0.064 0.000 1.074 224 S CB -0.061 63.145 63.200 0.009 0.000 0.829 224 S HN 0.668 nan 8.310 nan 0.000 0.497 225 W N 4.208 125.209 121.300 -0.498 0.000 2.632 225 W HA 0.625 5.282 4.660 -0.005 0.000 0.328 225 W C -0.804 175.264 176.519 -0.751 0.000 1.044 225 W CA -0.915 56.194 57.345 -0.394 0.000 1.225 225 W CB 0.629 29.985 29.460 -0.173 0.000 1.396 225 W HN 0.641 nan 8.180 nan 0.000 0.499 226 F N 1.383 120.692 119.950 -1.069 0.000 2.268 226 F HA 0.162 4.686 4.527 -0.005 0.000 0.262 226 F C 1.345 176.205 175.800 -1.568 0.000 0.910 226 F CA 0.416 57.680 58.000 -1.227 0.000 1.142 226 F CB 0.139 38.623 39.000 -0.859 0.000 1.229 226 F HN 0.262 nan 8.300 nan 0.000 0.781 227 D N -2.305 117.389 120.400 -1.177 0.000 2.557 227 D HA 0.069 4.706 4.640 -0.006 0.000 0.317 227 D C -0.442 175.674 176.300 -0.308 0.000 1.403 227 D CA -0.173 53.355 54.000 -0.786 0.000 0.886 227 D CB -1.486 39.130 40.800 -0.308 0.000 1.363 227 D HN 0.031 nan 8.370 nan 0.000 0.458 228 N N 1.429 119.975 118.700 -0.257 0.000 2.416 228 N HA -0.004 4.733 4.740 -0.006 0.000 0.271 228 N C 0.555 176.296 175.510 0.384 0.000 1.245 228 N CA 0.125 53.244 53.050 0.115 0.000 0.940 228 N CB 0.474 39.036 38.487 0.125 0.000 1.175 228 N HN 0.009 nan 8.380 nan 0.000 0.483 229 M N 1.718 121.465 119.600 0.245 0.000 2.568 229 M HA 0.004 4.480 4.480 -0.006 0.000 0.226 229 M C 0.933 177.317 176.300 0.141 0.000 1.148 229 M CA 0.313 55.758 55.300 0.241 0.000 1.007 229 M CB -0.979 31.717 32.600 0.161 0.000 1.651 229 M HN 0.688 nan 8.290 nan 0.000 0.488 230 S N -1.943 113.846 115.700 0.147 0.000 2.650 230 S HA 0.087 4.554 4.470 -0.006 0.000 0.240 230 S C 0.252 174.929 174.600 0.129 0.000 1.007 230 S CA -0.689 57.575 58.200 0.105 0.000 0.984 230 S CB 0.254 63.503 63.200 0.081 0.000 0.910 230 S HN 0.412 nan 8.310 nan 0.000 0.509 231 D N 2.523 123.033 120.400 0.183 0.000 2.458 231 D HA 0.032 4.669 4.640 -0.006 0.000 0.243 231 D C 0.633 177.005 176.300 0.120 0.000 1.146 231 D CA 0.998 55.099 54.000 0.169 0.000 0.877 231 D CB 1.221 42.169 40.800 0.247 0.000 1.176 231 D HN 0.452 nan 8.370 nan 0.000 0.461 232 T N -0.044 114.583 114.554 0.123 0.000 3.111 232 T HA 0.112 4.459 4.350 -0.006 0.000 0.284 232 T C 1.212 175.979 174.700 0.111 0.000 0.983 232 T CA -0.460 61.730 62.100 0.150 0.000 0.900 232 T CB 0.292 69.220 68.868 0.100 0.000 1.132 232 T HN 0.419 nan 8.240 nan 0.000 0.531 233 E N 1.049 121.285 120.200 0.060 0.000 2.160 233 E HA -0.047 4.300 4.350 -0.006 0.000 0.195 233 E C 1.626 178.226 176.600 -0.000 0.000 0.991 233 E CA 0.995 57.411 56.400 0.027 0.000 0.810 233 E CB -0.164 29.544 29.700 0.014 0.000 0.742 233 E HN 0.571 nan 8.360 nan 0.000 0.466 234 L N -0.686 120.505 121.223 -0.055 0.000 2.131 234 L HA -0.138 4.199 4.340 -0.006 0.000 0.206 234 L C 2.514 179.461 176.870 0.128 0.000 1.087 234 L CA 1.077 55.825 54.840 -0.154 0.000 0.767 234 L CB -0.421 41.386 42.059 -0.420 0.000 0.917 234 L HN 0.210 nan 8.230 nan 0.000 0.441 235 H N 0.391 119.472 119.070 0.018 0.000 2.299 235 H HA -0.179 4.374 4.556 -0.005 0.000 0.302 235 H C 1.599 176.938 175.328 0.019 0.000 1.078 235 H CA 1.958 57.980 56.048 -0.044 0.000 1.323 235 H CB 0.082 29.609 29.762 -0.391 0.000 1.381 235 H HN 0.177 nan 8.280 nan 0.000 0.498 236 D N 0.059 120.503 120.400 0.073 0.000 2.384 236 D HA -0.090 4.547 4.640 -0.006 0.000 0.222 236 D C 1.715 178.032 176.300 0.029 0.000 0.976 236 D CA 0.572 54.586 54.000 0.023 0.000 0.915 236 D CB 0.054 40.901 40.800 0.079 0.000 0.896 236 D HN 0.458 nan 8.370 nan 0.000 0.523 237 L N -0.290 120.999 121.223 0.111 0.000 2.554 237 L HA 0.128 4.464 4.340 -0.006 0.000 0.225 237 L C 2.025 179.118 176.870 0.372 0.000 1.104 237 L CA 0.006 54.976 54.840 0.216 0.000 0.866 237 L CB 0.282 42.538 42.059 0.327 0.000 1.047 237 L HN -0.034 nan 8.230 nan 0.000 0.468 238 L N 0.061 121.447 121.223 0.272 0.000 2.083 238 L HA -0.132 4.205 4.340 -0.006 0.000 0.209 238 L C -0.376 176.601 176.870 0.178 0.000 1.083 238 L CA 1.283 56.278 54.840 0.258 0.000 0.752 238 L CB -1.467 40.641 42.059 0.081 0.000 0.899 238 L HN 0.195 nan 8.230 nan 0.000 0.433 239 P HA -0.256 nan 4.420 nan 0.000 0.213 239 P C 1.610 178.974 177.300 0.106 0.000 1.170 239 P CA 1.456 64.593 63.100 0.061 0.000 0.902 239 P CB -0.122 31.596 31.700 0.030 0.000 0.789 240 F N -1.172 118.750 119.950 -0.046 0.000 2.111 240 F HA -0.268 4.256 4.527 -0.005 0.000 0.300 240 F C 1.991 177.715 175.800 -0.127 0.000 1.088 240 F CA 1.663 59.584 58.000 -0.130 0.000 1.243 240 F CB -0.857 37.995 39.000 -0.247 0.000 0.996 240 F HN -0.182 nan 8.300 nan 0.000 0.483 241 F N 0.316 120.355 119.950 0.148 0.000 2.187 241 F HA -0.087 4.436 4.527 -0.006 0.000 0.295 241 F C 2.394 178.221 175.800 0.045 0.000 1.091 241 F CA 1.151 59.244 58.000 0.155 0.000 1.308 241 F CB -0.841 38.325 39.000 0.278 0.000 1.030 241 F HN -0.113 nan 8.300 nan 0.000 0.487 242 E N 0.336 120.622 120.200 0.143 0.000 2.035 242 E HA -0.332 4.014 4.350 -0.006 0.000 0.204 242 E C 2.158 178.720 176.600 -0.063 0.000 1.025 242 E CA 1.613 58.001 56.400 -0.020 0.000 0.835 242 E CB -0.898 28.784 29.700 -0.030 0.000 0.764 242 E HN 0.502 nan 8.360 nan 0.000 0.457 243 Q N 0.568 120.320 119.800 -0.080 0.000 2.029 243 Q HA -0.208 4.129 4.340 -0.006 0.000 0.209 243 Q C 2.521 178.426 176.000 -0.158 0.000 0.999 243 Q CA 1.604 57.327 55.803 -0.134 0.000 0.857 243 Q CB -0.333 28.296 28.738 -0.182 0.000 0.926 243 Q HN 0.273 nan 8.270 nan 0.000 0.415 244 L N 0.911 122.004 121.223 -0.216 0.000 2.127 244 L HA -0.186 4.151 4.340 -0.006 0.000 0.211 244 L C 2.660 179.557 176.870 0.044 0.000 1.089 244 L CA 1.383 56.134 54.840 -0.148 0.000 0.757 244 L CB -0.387 41.541 42.059 -0.218 0.000 0.899 244 L HN 0.402 nan 8.230 nan 0.000 0.434 245 S N 0.285 116.016 115.700 0.052 0.000 2.469 245 S HA -0.202 4.264 4.470 -0.006 0.000 0.238 245 S C 1.578 176.112 174.600 -0.111 0.000 0.998 245 S CA 0.890 59.016 58.200 -0.124 0.000 0.957 245 S CB -0.368 62.515 63.200 -0.529 0.000 0.764 245 S HN 0.638 nan 8.310 nan 0.000 0.514 246 R N 0.931 121.378 120.500 -0.087 0.000 2.613 246 R HA 0.441 4.778 4.340 -0.006 0.000 0.361 246 R C 0.179 176.444 176.300 -0.059 0.000 1.072 246 R CA -0.226 55.827 56.100 -0.079 0.000 1.089 246 R CB -0.115 30.132 30.300 -0.088 0.000 1.343 246 R HN 0.379 nan 8.270 nan 0.000 0.571 247 V N -1.676 118.208 119.914 -0.050 0.000 2.973 247 V HA 0.339 4.456 4.120 -0.006 0.000 0.314 247 V C 0.233 176.307 176.094 -0.033 0.000 1.066 247 V CA -0.478 61.796 62.300 -0.044 0.000 1.021 247 V CB 1.903 33.694 31.823 -0.054 0.000 1.076 247 V HN -0.059 nan 8.190 nan 0.000 0.462 248 D N 0.495 120.878 120.400 -0.027 0.000 2.249 248 D HA 0.129 4.766 4.640 -0.006 0.000 0.205 248 D C 0.093 176.378 176.300 -0.026 0.000 0.962 248 D CA 1.393 55.380 54.000 -0.021 0.000 0.860 248 D CB 0.239 41.032 40.800 -0.012 0.000 0.955 248 D HN 0.827 nan 8.370 nan 0.000 0.505 249 D N -0.091 120.291 120.400 -0.031 0.000 2.602 249 D HA 0.023 4.660 4.640 -0.006 0.000 0.245 249 D C 1.262 177.518 176.300 -0.074 0.000 1.325 249 D CA -0.437 53.539 54.000 -0.041 0.000 0.952 249 D CB 1.820 42.635 40.800 0.024 0.000 1.317 249 D HN -0.138 nan 8.370 nan 0.000 0.577 250 V N 2.896 122.701 119.914 -0.182 0.000 2.720 250 V HA -0.163 3.954 4.120 -0.006 0.000 0.256 250 V C 1.530 177.551 176.094 -0.123 0.000 1.082 250 V CA 1.136 63.321 62.300 -0.191 0.000 1.101 250 V CB -1.243 30.422 31.823 -0.263 0.000 0.693 250 V HN 0.461 nan 8.190 nan 0.000 0.479 251 Y N 2.654 122.960 120.300 0.011 0.000 2.421 251 Y HA -0.065 4.482 4.550 -0.006 0.000 0.292 251 Y C 3.022 178.929 175.900 0.012 0.000 1.136 251 Y CA 0.959 59.069 58.100 0.017 0.000 1.255 251 Y CB -1.049 37.424 38.460 0.023 0.000 0.991 251 Y HN 0.536 nan 8.280 nan 0.000 0.552 252 S N -1.022 114.753 115.700 0.126 0.000 2.399 252 S HA -0.126 4.341 4.470 -0.006 0.000 0.231 252 S C 1.726 176.357 174.600 0.052 0.000 1.022 252 S CA 1.517 59.760 58.200 0.072 0.000 0.983 252 S CB -0.993 62.230 63.200 0.037 0.000 0.803 252 S HN 0.206 nan 8.310 nan 0.000 0.480 253 V N 0.437 120.374 119.914 0.037 0.000 3.471 253 V HA 0.326 4.443 4.120 -0.006 0.000 0.258 253 V C 1.759 177.911 176.094 0.096 0.000 1.192 253 V CA 0.519 62.841 62.300 0.036 0.000 1.116 253 V CB -0.466 31.328 31.823 -0.049 0.000 0.792 253 V HN 0.418 nan 8.190 nan 0.000 0.459 254 L N -0.829 120.465 121.223 0.120 0.000 2.664 254 L HA 0.416 4.753 4.340 -0.006 0.000 0.233 254 L C 0.512 177.472 176.870 0.150 0.000 1.113 254 L CA -0.068 54.862 54.840 0.149 0.000 0.896 254 L CB 0.119 42.275 42.059 0.162 0.000 1.163 254 L HN 0.214 nan 8.230 nan 0.000 0.497 255 R N 0.796 121.384 120.500 0.146 0.000 3.337 255 R HA -0.171 4.165 4.340 -0.006 0.000 0.490 255 R C -0.392 175.933 176.300 0.042 0.000 0.830 255 R CA 0.678 56.832 56.100 0.090 0.000 1.485 255 R CB -0.642 29.692 30.300 0.057 0.000 2.108 255 R HN 0.379 nan 8.270 nan 0.000 0.519 256 Q N 0.000 119.782 119.800 -0.030 0.000 2.315 256 Q HA 0.000 4.337 4.340 -0.006 0.000 0.214 256 Q CA 0.000 55.715 55.803 -0.147 0.000 1.022 256 Q CB 0.000 28.574 28.738 -0.274 0.000 1.108 256 Q HN 0.000 nan 8.270 nan 0.000 0.481