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 1t5e_1_L DATA FIRST_RESID 29 DATA SEQUENCE TELPGRTNAF RIAEVRPQVN GIILKRLFKE GSDVKAGQQL YQIDPATYEA DATA SEQUENCE DYQSAQANLA STQEQAQRYK LLVADQAVSK QQYADANAAY LQSKAAVEQA DATA SEQUENCE RINLRYTKVL SPISGRIGRS AVTEGALVTN GQANAMATVQ QLDPIYVDVT DATA SEQUENCE QPSTALLRLR RELASGQLER AGDNAAKVSL KLEDGSQYPL EGRLEFSEVS DATA SEQUENCE VDEGTGSVTI RAVFPNPNNE LLPGMFVHAQ L 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 29 T HA 0.000 nan 4.350 nan 0.000 0.228 29 T C 0.000 174.731 174.700 0.052 0.000 1.109 29 T CA 0.000 62.126 62.100 0.043 0.000 1.349 29 T CB 0.000 68.902 68.868 0.057 0.000 0.612 30 E N 2.703 122.923 120.200 0.033 0.000 2.109 30 E HA 0.448 4.798 4.350 -0.000 0.000 0.278 30 E C -0.535 176.130 176.600 0.107 0.000 0.954 30 E CA -0.584 55.842 56.400 0.042 0.000 0.779 30 E CB 1.003 30.653 29.700 -0.083 0.000 1.093 30 E HN 0.436 nan 8.360 nan 0.000 0.401 31 L N 6.484 127.806 121.223 0.165 0.000 2.265 31 L HA 0.403 4.743 4.340 -0.000 0.000 0.289 31 L C -2.033 174.981 176.870 0.239 0.000 1.033 31 L CA -2.141 52.802 54.840 0.173 0.000 0.814 31 L CB 0.679 42.810 42.059 0.120 0.000 1.203 31 L HN 0.281 nan 8.230 nan 0.000 0.423 32 P HA 0.340 nan 4.420 nan 0.000 0.274 32 P C -0.253 177.032 177.300 -0.025 0.000 1.231 32 P CA 0.046 63.184 63.100 0.063 0.000 0.790 32 P CB 1.927 33.699 31.700 0.119 0.000 0.951 33 G N 1.354 110.079 108.800 -0.125 0.000 2.495 33 G HA2 0.484 4.444 3.960 -0.000 0.000 0.294 33 G HA3 0.484 4.444 3.960 -0.000 0.000 0.294 33 G C -1.541 173.243 174.900 -0.194 0.000 1.397 33 G CA -0.677 44.356 45.100 -0.112 0.000 0.790 33 G HN 0.349 nan 8.290 nan 0.000 0.486 34 R N 0.244 120.622 120.500 -0.203 0.000 2.670 34 R HA 0.642 4.982 4.340 -0.000 0.000 0.289 34 R C -0.025 176.177 176.300 -0.162 0.000 0.965 34 R CA -0.585 55.343 56.100 -0.286 0.000 0.899 34 R CB 1.437 31.515 30.300 -0.370 0.000 1.173 34 R HN 0.853 nan 8.270 nan 0.000 0.456 35 T N 0.089 114.548 114.554 -0.159 0.000 2.897 35 T HA 0.466 4.816 4.350 -0.000 0.000 0.294 35 T C 0.165 174.838 174.700 -0.044 0.000 1.004 35 T CA -0.699 61.351 62.100 -0.084 0.000 1.106 35 T CB 0.876 69.676 68.868 -0.115 0.000 0.949 35 T HN 0.319 nan 8.240 nan 0.000 0.520 36 N N 0.050 118.773 118.700 0.038 0.000 2.329 36 N HA 0.534 5.274 4.740 -0.000 0.000 0.282 36 N C -0.601 174.975 175.510 0.111 0.000 1.198 36 N CA -0.672 52.417 53.050 0.065 0.000 0.790 36 N CB 2.182 40.721 38.487 0.086 0.000 1.579 36 N HN 0.973 nan 8.380 nan 0.000 0.475 37 A N 0.586 123.454 122.820 0.079 0.000 2.520 37 A HA 0.042 4.362 4.320 -0.000 0.000 0.235 37 A C 0.826 178.490 177.584 0.134 0.000 1.065 37 A CA 0.130 52.214 52.037 0.079 0.000 0.764 37 A CB -0.197 18.834 19.000 0.052 0.000 1.002 37 A HN 0.701 nan 8.150 nan 0.000 0.502 38 F N 0.755 120.618 119.950 -0.146 0.000 2.259 38 F HA 0.152 4.679 4.527 -0.000 0.000 0.298 38 F C 1.172 176.920 175.800 -0.087 0.000 1.088 38 F CA 1.592 59.383 58.000 -0.347 0.000 1.358 38 F CB 0.049 38.807 39.000 -0.403 0.000 1.040 38 F HN 0.648 nan 8.300 nan 0.000 0.505 39 R N -0.155 120.365 120.500 0.034 0.000 2.634 39 R HA 0.514 4.854 4.340 -0.000 0.000 0.263 39 R C -2.064 174.244 176.300 0.013 0.000 1.060 39 R CA -0.553 55.535 56.100 -0.020 0.000 0.898 39 R CB 1.452 31.739 30.300 -0.020 0.000 1.253 39 R HN 0.006 nan 8.270 nan 0.000 0.461 40 I N 2.445 123.014 120.570 -0.002 0.000 2.571 40 I HA 0.583 4.753 4.170 -0.000 0.000 0.289 40 I C -0.743 175.370 176.117 -0.006 0.000 1.115 40 I CA -0.734 60.566 61.300 0.000 0.000 1.045 40 I CB 2.124 40.126 38.000 0.003 0.000 1.238 40 I HN 0.751 nan 8.210 nan 0.000 0.424 41 A N 5.266 128.081 122.820 -0.008 0.000 2.430 41 A HA 0.841 5.161 4.320 -0.000 0.000 0.300 41 A C -1.043 176.537 177.584 -0.008 0.000 1.124 41 A CA -0.585 51.446 52.037 -0.009 0.000 0.766 41 A CB 1.828 20.822 19.000 -0.011 0.000 1.328 41 A HN 0.708 nan 8.150 nan 0.000 0.424 42 E N -0.127 120.071 120.200 -0.003 0.000 2.212 42 E HA 0.539 4.889 4.350 -0.000 0.000 0.268 42 E C -1.325 175.281 176.600 0.009 0.000 0.902 42 E CA -0.818 55.584 56.400 0.003 0.000 0.779 42 E CB 2.288 31.990 29.700 0.002 0.000 1.172 42 E HN 0.383 nan 8.360 nan 0.000 0.409 43 V N 2.970 122.897 119.914 0.022 0.000 2.394 43 V HA 0.513 4.633 4.120 -0.000 0.000 0.282 43 V C -0.028 176.078 176.094 0.021 0.000 1.031 43 V CA -0.550 61.776 62.300 0.043 0.000 0.881 43 V CB 0.985 32.868 31.823 0.100 0.000 0.982 43 V HN 0.606 nan 8.190 nan 0.000 0.451 44 R N 4.501 125.006 120.500 0.007 0.000 2.698 44 R HA 0.565 4.905 4.340 -0.000 0.000 0.275 44 R C -2.900 173.378 176.300 -0.036 0.000 1.001 44 R CA -1.545 54.539 56.100 -0.027 0.000 0.896 44 R CB 2.980 33.265 30.300 -0.025 0.000 1.218 44 R HN 0.511 nan 8.270 nan 0.000 0.462 45 P HA 0.186 nan 4.420 nan 0.000 0.284 45 P C -1.044 176.190 177.300 -0.110 0.000 1.258 45 P CA -0.422 62.635 63.100 -0.072 0.000 0.824 45 P CB 1.261 32.909 31.700 -0.086 0.000 1.038 46 Q N 0.077 119.774 119.800 -0.172 0.000 2.089 46 Q HA 0.441 4.781 4.340 -0.000 0.000 0.248 46 Q C -0.503 175.241 176.000 -0.427 0.000 0.828 46 Q CA -0.180 55.390 55.803 -0.389 0.000 1.102 46 Q CB 1.436 29.713 28.738 -0.767 0.000 1.221 46 Q HN 0.189 nan 8.270 nan 0.000 0.455 47 V N 0.113 119.899 119.914 -0.214 0.000 3.147 47 V HA 0.285 4.405 4.120 -0.000 0.000 0.299 47 V C -1.640 174.450 176.094 -0.006 0.000 1.302 47 V CA -0.773 61.432 62.300 -0.158 0.000 1.015 47 V CB 2.662 34.318 31.823 -0.279 0.000 1.086 47 V HN 0.319 nan 8.190 nan 0.000 0.437 48 N N 2.194 120.970 118.700 0.127 0.000 2.518 48 N HA 0.778 5.518 4.740 -0.000 0.000 0.283 48 N C -0.004 175.631 175.510 0.207 0.000 1.119 48 N CA 0.359 53.489 53.050 0.135 0.000 0.983 48 N CB 1.666 40.216 38.487 0.106 0.000 1.139 48 N HN 1.120 nan 8.380 nan 0.000 0.465 49 G N 0.587 109.451 108.800 0.106 0.000 2.333 49 G HA2 0.169 4.129 3.960 -0.000 0.000 0.288 49 G HA3 0.169 4.129 3.960 -0.000 0.000 0.288 49 G C -1.947 172.983 174.900 0.049 0.000 1.286 49 G CA -0.715 44.443 45.100 0.096 0.000 0.865 49 G HN 0.302 nan 8.290 nan 0.000 0.506 50 I N 1.400 121.999 120.570 0.049 0.000 2.354 50 I HA 0.349 4.519 4.170 -0.000 0.000 0.292 50 I C 0.277 176.421 176.117 0.045 0.000 0.989 50 I CA -0.931 60.388 61.300 0.032 0.000 1.188 50 I CB 1.442 39.456 38.000 0.022 0.000 1.342 50 I HN 0.300 nan 8.210 nan 0.000 0.457 51 I N 6.946 127.536 120.570 0.035 0.000 2.680 51 I HA -0.105 4.065 4.170 -0.000 0.000 0.286 51 I C 1.185 177.345 176.117 0.072 0.000 1.144 51 I CA 0.212 61.548 61.300 0.060 0.000 1.370 51 I CB 0.164 38.200 38.000 0.060 0.000 1.420 51 I HN 0.516 nan 8.210 nan 0.000 0.540 52 L N 7.681 128.953 121.223 0.081 0.000 2.034 52 L HA 0.060 4.400 4.340 -0.000 0.000 0.203 52 L C 0.934 177.842 176.870 0.063 0.000 1.074 52 L CA 1.782 56.660 54.840 0.063 0.000 0.748 52 L CB -0.110 41.987 42.059 0.062 0.000 0.905 52 L HN 0.516 nan 8.230 nan 0.000 0.439 53 K N -1.016 119.434 120.400 0.084 0.000 2.477 53 K HA 0.380 4.700 4.320 -0.000 0.000 0.255 53 K C -0.814 175.833 176.600 0.079 0.000 0.952 53 K CA -0.793 55.528 56.287 0.056 0.000 0.826 53 K CB 2.367 34.884 32.500 0.028 0.000 1.331 53 K HN -0.223 nan 8.250 nan 0.000 0.437 54 R N 4.060 124.541 120.500 -0.033 0.000 2.396 54 R HA 0.209 4.549 4.340 -0.000 0.000 0.292 54 R C -0.227 175.881 176.300 -0.321 0.000 1.240 54 R CA -0.264 55.696 56.100 -0.234 0.000 1.270 54 R CB 0.037 30.145 30.300 -0.320 0.000 1.108 54 R HN 0.684 nan 8.270 nan 0.000 0.573 55 L N 5.158 126.275 121.223 -0.176 0.000 2.869 55 L HA 0.097 4.437 4.340 -0.000 0.000 0.259 55 L C -0.083 176.778 176.870 -0.015 0.000 1.162 55 L CA 0.291 55.084 54.840 -0.079 0.000 0.975 55 L CB -1.334 40.726 42.059 0.002 0.000 1.217 55 L HN 0.337 nan 8.230 nan 0.000 0.418 56 F N -2.031 117.816 119.950 -0.172 0.000 2.631 56 F HA 0.540 5.067 4.527 -0.000 0.000 0.308 56 F C -0.437 175.304 175.800 -0.099 0.000 1.097 56 F CA -1.895 56.026 58.000 -0.131 0.000 0.952 56 F CB 1.196 40.101 39.000 -0.159 0.000 1.307 56 F HN -0.248 nan 8.300 nan 0.000 0.450 57 K N 2.655 123.140 120.400 0.141 0.000 2.276 57 K HA 0.184 4.504 4.320 -0.000 0.000 0.285 57 K C -0.395 176.315 176.600 0.183 0.000 1.062 57 K CA -0.232 56.088 56.287 0.055 0.000 0.918 57 K CB 0.550 33.078 32.500 0.046 0.000 1.055 57 K HN 0.815 nan 8.250 nan 0.000 0.477 58 E N 2.468 122.714 120.200 0.076 0.000 2.529 58 E HA -0.056 4.294 4.350 -0.000 0.000 0.259 58 E C 0.755 177.433 176.600 0.129 0.000 0.966 58 E CA 1.007 57.511 56.400 0.173 0.000 0.937 58 E CB 0.326 30.073 29.700 0.078 0.000 0.923 58 E HN 1.003 nan 8.360 nan 0.000 0.468 59 G N 2.548 111.427 108.800 0.132 0.000 2.176 59 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.253 59 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.253 59 G C 0.510 175.446 174.900 0.059 0.000 0.979 59 G CA 0.491 45.636 45.100 0.074 0.000 0.641 59 G HN 0.681 nan 8.290 nan 0.000 0.530 60 S N -0.606 115.143 115.700 0.082 0.000 2.598 60 S HA 0.611 5.081 4.470 -0.000 0.000 0.267 60 S C -0.358 174.251 174.600 0.016 0.000 1.189 60 S CA -0.124 58.107 58.200 0.051 0.000 1.010 60 S CB 1.568 64.811 63.200 0.072 0.000 1.084 60 S HN 0.129 nan 8.310 nan 0.000 0.541 61 D N 0.356 120.759 120.400 0.005 0.000 2.408 61 D HA 0.531 5.171 4.640 -0.000 0.000 0.243 61 D C -1.263 175.023 176.300 -0.024 0.000 1.075 61 D CA -0.223 53.768 54.000 -0.015 0.000 0.832 61 D CB 1.885 42.678 40.800 -0.010 0.000 1.162 61 D HN 0.332 nan 8.370 nan 0.000 0.515 62 V N 2.652 122.534 119.914 -0.052 0.000 2.815 62 V HA 0.443 4.563 4.120 -0.000 0.000 0.314 62 V C -0.730 175.332 176.094 -0.052 0.000 1.064 62 V CA -0.624 61.638 62.300 -0.065 0.000 0.952 62 V CB 2.205 33.946 31.823 -0.137 0.000 1.020 62 V HN 0.332 nan 8.190 nan 0.000 0.439 63 K N 3.694 124.069 120.400 -0.041 0.000 2.138 63 K HA 0.729 5.049 4.320 -0.000 0.000 0.263 63 K C -0.202 176.378 176.600 -0.032 0.000 0.965 63 K CA -0.308 55.961 56.287 -0.030 0.000 0.868 63 K CB 1.724 34.212 32.500 -0.020 0.000 1.083 63 K HN 0.893 nan 8.250 nan 0.000 0.443 64 A N 1.246 124.052 122.820 -0.024 0.000 2.548 64 A HA 0.372 4.692 4.320 -0.000 0.000 0.247 64 A C 1.171 178.743 177.584 -0.020 0.000 1.067 64 A CA 1.052 53.075 52.037 -0.022 0.000 0.757 64 A CB -0.754 18.238 19.000 -0.013 0.000 0.996 64 A HN 0.960 nan 8.150 nan 0.000 0.504 65 G N 0.887 109.675 108.800 -0.020 0.000 2.194 65 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.236 65 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.236 65 G C 0.389 175.279 174.900 -0.017 0.000 0.987 65 G CA 0.405 45.494 45.100 -0.019 0.000 0.635 65 G HN 1.076 nan 8.290 nan 0.000 0.520 66 Q N 0.714 120.503 119.800 -0.019 0.000 2.332 66 Q HA 0.402 4.742 4.340 -0.000 0.000 0.263 66 Q C 0.594 176.591 176.000 -0.004 0.000 0.979 66 Q CA -0.211 55.583 55.803 -0.015 0.000 0.885 66 Q CB 0.410 29.134 28.738 -0.025 0.000 1.218 66 Q HN 0.516 nan 8.270 nan 0.000 0.405 67 Q N 3.812 123.618 119.800 0.011 0.000 2.271 67 Q HA 0.011 4.351 4.340 -0.000 0.000 0.273 67 Q C -0.079 175.950 176.000 0.049 0.000 1.051 67 Q CA 0.132 55.957 55.803 0.036 0.000 0.901 67 Q CB 0.560 29.320 28.738 0.037 0.000 1.174 67 Q HN 0.823 nan 8.270 nan 0.000 0.385 68 L N 3.733 125.003 121.223 0.078 0.000 2.357 68 L HA 0.194 4.534 4.340 -0.000 0.000 0.211 68 L C -0.233 176.622 176.870 -0.026 0.000 1.075 68 L CA 0.282 55.159 54.840 0.061 0.000 0.830 68 L CB 0.271 42.326 42.059 -0.006 0.000 0.996 68 L HN 0.685 nan 8.230 nan 0.000 0.467 69 Y N -1.280 119.118 120.300 0.164 0.000 2.615 69 Y HA 0.483 5.033 4.550 -0.000 0.000 0.341 69 Y C -0.517 175.429 175.900 0.077 0.000 1.089 69 Y CA -1.072 57.103 58.100 0.124 0.000 1.049 69 Y CB 1.618 40.151 38.460 0.122 0.000 1.296 69 Y HN -0.214 nan 8.280 nan 0.000 0.470 70 Q N 1.833 121.787 119.800 0.257 0.000 2.290 70 Q HA 0.551 4.891 4.340 -0.000 0.000 0.269 70 Q C -1.910 174.174 176.000 0.140 0.000 1.016 70 Q CA -0.183 55.712 55.803 0.153 0.000 0.754 70 Q CB 1.175 29.975 28.738 0.103 0.000 1.247 70 Q HN 0.649 nan 8.270 nan 0.000 0.451 71 I N 2.874 123.517 120.570 0.121 0.000 2.365 71 I HA 0.186 4.356 4.170 -0.000 0.000 0.291 71 I C 0.030 176.222 176.117 0.125 0.000 1.004 71 I CA -0.815 60.553 61.300 0.114 0.000 1.311 71 I CB 1.156 39.225 38.000 0.114 0.000 1.401 71 I HN 0.702 nan 8.210 nan 0.000 0.491 72 D N 9.433 129.895 120.400 0.105 0.000 2.502 72 D HA -0.012 4.628 4.640 -0.000 0.000 0.249 72 D C -1.512 174.866 176.300 0.131 0.000 1.188 72 D CA -1.245 52.809 54.000 0.090 0.000 0.890 72 D CB 0.913 41.745 40.800 0.053 0.000 1.140 72 D HN 0.288 nan 8.370 nan 0.000 0.505 73 P HA 0.109 nan 4.420 nan 0.000 0.257 73 P C 1.048 178.411 177.300 0.106 0.000 1.241 73 P CA 0.076 63.287 63.100 0.184 0.000 0.816 73 P CB 0.364 32.153 31.700 0.148 0.000 1.150 74 A N 1.360 124.209 122.820 0.049 0.000 1.923 74 A HA -0.266 4.054 4.320 -0.000 0.000 0.222 74 A C 2.208 179.796 177.584 0.007 0.000 1.258 74 A CA 3.203 55.254 52.037 0.023 0.000 0.670 74 A CB -1.929 17.072 19.000 0.002 0.000 0.834 74 A HN 0.311 nan 8.150 nan 0.000 0.470 75 T N -2.076 112.441 114.554 -0.061 0.000 2.809 75 T HA -0.044 4.306 4.350 -0.000 0.000 0.260 75 T C 1.781 176.445 174.700 -0.060 0.000 1.039 75 T CA 1.358 63.391 62.100 -0.112 0.000 1.141 75 T CB -0.522 68.199 68.868 -0.245 0.000 0.869 75 T HN 0.552 nan 8.240 nan 0.000 0.437 76 Y N 1.604 121.930 120.300 0.044 0.000 2.151 76 Y HA -0.187 4.363 4.550 -0.000 0.000 0.284 76 Y C 2.840 178.790 175.900 0.083 0.000 1.166 76 Y CA 1.224 59.357 58.100 0.054 0.000 1.163 76 Y CB -0.182 38.300 38.460 0.037 0.000 0.974 76 Y HN 0.197 nan 8.280 nan 0.000 0.511 77 E N 0.641 120.976 120.200 0.224 0.000 2.110 77 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 77 E C 2.096 178.804 176.600 0.180 0.000 0.988 77 E CA 1.294 57.808 56.400 0.189 0.000 0.804 77 E CB -0.311 29.467 29.700 0.130 0.000 0.745 77 E HN 0.348 nan 8.360 nan 0.000 0.458 78 A N 0.778 123.667 122.820 0.115 0.000 1.872 78 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 78 A C 1.911 179.545 177.584 0.083 0.000 1.187 78 A CA 1.637 53.719 52.037 0.075 0.000 0.614 78 A CB -0.613 18.406 19.000 0.031 0.000 0.826 78 A HN 0.276 nan 8.150 nan 0.000 0.442 79 D N -1.356 119.105 120.400 0.103 0.000 2.117 79 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 79 D C 1.692 178.081 176.300 0.149 0.000 0.987 79 D CA 1.626 55.690 54.000 0.107 0.000 0.829 79 D CB -0.506 40.370 40.800 0.127 0.000 0.961 79 D HN 0.565 nan 8.370 nan 0.000 0.460 80 Y N 1.799 122.139 120.300 0.066 0.000 2.128 80 Y HA -0.213 4.337 4.550 -0.000 0.000 0.284 80 Y C 2.250 178.170 175.900 0.034 0.000 1.154 80 Y CA 1.728 59.859 58.100 0.052 0.000 1.149 80 Y CB -0.265 38.230 38.460 0.058 0.000 0.976 80 Y HN -0.008 nan 8.280 nan 0.000 0.505 81 Q N -1.269 118.510 119.800 -0.035 0.000 2.187 81 Q HA -0.126 4.214 4.340 -0.000 0.000 0.199 81 Q C 2.549 178.483 176.000 -0.110 0.000 0.957 81 Q CA 1.179 56.889 55.803 -0.154 0.000 0.857 81 Q CB -0.200 28.521 28.738 -0.028 0.000 0.929 81 Q HN 0.451 nan 8.270 nan 0.000 0.453 82 S N 0.760 116.435 115.700 -0.041 0.000 2.368 82 S HA -0.190 4.280 4.470 -0.000 0.000 0.225 82 S C 1.988 176.557 174.600 -0.052 0.000 1.030 82 S CA 1.181 59.363 58.200 -0.031 0.000 0.999 82 S CB -0.139 63.060 63.200 -0.001 0.000 0.844 82 S HN 0.435 nan 8.310 nan 0.000 0.459 83 A N 1.050 123.834 122.820 -0.060 0.000 1.835 83 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 83 A C 2.141 179.656 177.584 -0.116 0.000 1.199 83 A CA 1.762 53.759 52.037 -0.066 0.000 0.615 83 A CB -1.215 17.765 19.000 -0.033 0.000 0.838 83 A HN 0.694 nan 8.150 nan 0.000 0.444 84 Q N -0.701 118.962 119.800 -0.229 0.000 2.197 84 Q HA -0.275 4.065 4.340 -0.000 0.000 0.211 84 Q C 2.351 178.276 176.000 -0.124 0.000 0.993 84 Q CA 1.659 57.325 55.803 -0.229 0.000 0.883 84 Q CB -0.487 28.019 28.738 -0.385 0.000 0.916 84 Q HN 0.719 nan 8.270 nan 0.000 0.418 85 A N 1.386 124.143 122.820 -0.104 0.000 1.877 85 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 85 A C 1.928 179.487 177.584 -0.042 0.000 1.186 85 A CA 1.607 53.607 52.037 -0.062 0.000 0.620 85 A CB -0.786 18.185 19.000 -0.050 0.000 0.822 85 A HN 0.397 nan 8.150 nan 0.000 0.443 86 N N 0.246 118.921 118.700 -0.042 0.000 2.018 86 N HA -0.196 4.544 4.740 -0.000 0.000 0.196 86 N C 1.800 177.301 175.510 -0.015 0.000 1.043 86 N CA 2.067 55.101 53.050 -0.028 0.000 0.856 86 N CB -0.527 37.943 38.487 -0.029 0.000 1.042 86 N HN 0.345 nan 8.380 nan 0.000 0.423 87 L N 1.500 122.711 121.223 -0.019 0.000 1.990 87 L HA -0.133 4.207 4.340 -0.000 0.000 0.213 87 L C 2.409 179.309 176.870 0.051 0.000 1.072 87 L CA 2.495 57.344 54.840 0.016 0.000 0.755 87 L CB -1.417 40.635 42.059 -0.012 0.000 0.889 87 L HN 0.265 nan 8.230 nan 0.000 0.432 88 A N -1.367 121.461 122.820 0.013 0.000 1.948 88 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 88 A C 2.518 180.106 177.584 0.008 0.000 1.177 88 A CA 2.356 54.400 52.037 0.012 0.000 0.636 88 A CB -1.217 17.776 19.000 -0.011 0.000 0.815 88 A HN 0.663 nan 8.150 nan 0.000 0.449 89 S N -0.633 115.067 115.700 -0.000 0.000 2.336 89 S HA -0.166 4.304 4.470 -0.000 0.000 0.214 89 S C 2.315 176.906 174.600 -0.015 0.000 1.032 89 S CA 2.566 60.759 58.200 -0.013 0.000 1.001 89 S CB -1.007 62.183 63.200 -0.017 0.000 0.953 89 S HN 0.839 nan 8.310 nan 0.000 0.430 90 T N -0.055 114.504 114.554 0.007 0.000 2.737 90 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 90 T C 1.985 176.707 174.700 0.036 0.000 1.040 90 T CA 1.804 63.914 62.100 0.016 0.000 1.142 90 T CB -0.815 68.089 68.868 0.060 0.000 0.861 90 T HN 0.587 nan 8.240 nan 0.000 0.456 91 Q N 0.573 120.437 119.800 0.107 0.000 2.084 91 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 91 Q C 2.569 178.482 176.000 -0.146 0.000 0.978 91 Q CA 1.616 57.405 55.803 -0.025 0.000 0.844 91 Q CB -0.161 28.634 28.738 0.096 0.000 0.898 91 Q HN 0.608 nan 8.270 nan 0.000 0.426 92 E N 0.499 120.654 120.200 -0.075 0.000 2.031 92 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 92 E C 1.926 178.462 176.600 -0.107 0.000 0.994 92 E CA 1.787 58.142 56.400 -0.076 0.000 0.800 92 E CB -0.132 29.539 29.700 -0.048 0.000 0.752 92 E HN 0.349 nan 8.360 nan 0.000 0.447 93 Q N 0.739 120.455 119.800 -0.139 0.000 2.062 93 Q HA -0.209 4.131 4.340 -0.000 0.000 0.209 93 Q C 1.987 177.804 176.000 -0.306 0.000 0.996 93 Q CA 2.886 58.535 55.803 -0.258 0.000 0.859 93 Q CB -0.746 27.826 28.738 -0.277 0.000 0.920 93 Q HN 0.302 nan 8.270 nan 0.000 0.415 94 A N 0.156 122.839 122.820 -0.229 0.000 1.841 94 A HA -0.303 4.017 4.320 -0.000 0.000 0.216 94 A C 2.053 179.655 177.584 0.031 0.000 1.199 94 A CA 1.989 53.934 52.037 -0.153 0.000 0.621 94 A CB -1.019 17.812 19.000 -0.282 0.000 0.835 94 A HN 0.640 nan 8.150 nan 0.000 0.445 95 Q N -1.145 118.609 119.800 -0.077 0.000 2.242 95 Q HA -0.275 4.065 4.340 -0.000 0.000 0.211 95 Q C 2.336 178.365 176.000 0.049 0.000 0.992 95 Q CA 1.999 57.792 55.803 -0.017 0.000 0.889 95 Q CB -0.228 28.464 28.738 -0.077 0.000 0.913 95 Q HN 0.666 nan 8.270 nan 0.000 0.422 96 R N -0.596 119.936 120.500 0.053 0.000 2.055 96 R HA -0.124 4.216 4.340 -0.000 0.000 0.226 96 R C 1.905 178.350 176.300 0.241 0.000 1.135 96 R CA 1.009 57.173 56.100 0.106 0.000 0.959 96 R CB -0.065 30.285 30.300 0.083 0.000 0.854 96 R HN 0.225 nan 8.270 nan 0.000 0.431 97 Y N 1.431 121.797 120.300 0.109 0.000 2.256 97 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 97 Y C 2.234 178.158 175.900 0.040 0.000 1.155 97 Y CA 1.221 59.422 58.100 0.167 0.000 1.203 97 Y CB -0.509 38.153 38.460 0.337 0.000 0.980 97 Y HN 0.119 nan 8.280 nan 0.000 0.530 98 K N -0.068 120.421 120.400 0.148 0.000 2.009 98 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 98 K C 1.608 178.068 176.600 -0.233 0.000 1.049 98 K CA 1.483 57.534 56.287 -0.394 0.000 0.929 98 K CB -0.312 32.120 32.500 -0.112 0.000 0.714 98 K HN 0.143 nan 8.250 nan 0.000 0.440 99 L N 1.102 122.279 121.223 -0.077 0.000 2.622 99 L HA -0.031 4.309 4.340 -0.000 0.000 0.233 99 L C 1.716 178.554 176.870 -0.054 0.000 1.156 99 L CA 0.979 55.782 54.840 -0.061 0.000 0.866 99 L CB -0.175 41.870 42.059 -0.023 0.000 0.980 99 L HN 0.236 nan 8.230 nan 0.000 0.448 100 L N -2.440 118.754 121.223 -0.048 0.000 2.286 100 L HA 0.025 4.365 4.340 -0.000 0.000 0.203 100 L C 2.157 178.966 176.870 -0.101 0.000 1.068 100 L CA 0.131 54.939 54.840 -0.053 0.000 0.811 100 L CB -0.099 41.947 42.059 -0.023 0.000 0.989 100 L HN -0.036 nan 8.230 nan 0.000 0.467 101 V N 0.576 120.404 119.914 -0.144 0.000 2.720 101 V HA -0.266 3.854 4.120 -0.000 0.000 0.256 101 V C 2.735 178.755 176.094 -0.123 0.000 1.082 101 V CA 1.480 63.694 62.300 -0.143 0.000 1.101 101 V CB -0.952 30.765 31.823 -0.178 0.000 0.693 101 V HN 0.449 nan 8.190 nan 0.000 0.479 102 A N 0.631 123.372 122.820 -0.132 0.000 1.869 102 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 102 A C 1.608 179.151 177.584 -0.069 0.000 1.203 102 A CA 2.204 54.182 52.037 -0.099 0.000 0.638 102 A CB -0.572 18.374 19.000 -0.090 0.000 0.831 102 A HN 0.580 nan 8.150 nan 0.000 0.450 103 D N -0.508 119.855 120.400 -0.061 0.000 2.690 103 D HA 0.160 4.800 4.640 -0.000 0.000 0.236 103 D C 0.375 176.645 176.300 -0.050 0.000 1.218 103 D CA 0.208 54.180 54.000 -0.047 0.000 0.829 103 D CB -0.285 40.492 40.800 -0.039 0.000 1.009 103 D HN 0.586 nan 8.370 nan 0.000 0.482 104 Q N -0.167 119.599 119.800 -0.058 0.000 2.374 104 Q HA -0.342 3.998 4.340 -0.000 0.000 0.281 104 Q C 0.892 176.855 176.000 -0.062 0.000 1.154 104 Q CA 0.528 56.297 55.803 -0.057 0.000 0.926 104 Q CB -0.657 28.056 28.738 -0.042 0.000 1.308 104 Q HN 0.447 nan 8.270 nan 0.000 0.520 105 A N -1.092 121.684 122.820 -0.073 0.000 1.970 105 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 105 A C 0.718 178.233 177.584 -0.115 0.000 1.170 105 A CA 1.210 53.201 52.037 -0.076 0.000 0.645 105 A CB 0.615 19.575 19.000 -0.067 0.000 0.816 105 A HN 0.213 nan 8.150 nan 0.000 0.447 106 V N 0.867 120.690 119.914 -0.151 0.000 2.628 106 V HA 0.417 4.537 4.120 -0.000 0.000 0.306 106 V C 0.136 176.149 176.094 -0.135 0.000 1.045 106 V CA -0.481 61.683 62.300 -0.227 0.000 0.905 106 V CB 1.761 33.334 31.823 -0.416 0.000 0.997 106 V HN 0.433 nan 8.190 nan 0.000 0.436 107 S N 3.135 118.770 115.700 -0.108 0.000 2.548 107 S HA 0.285 4.755 4.470 -0.000 0.000 0.277 107 S C 0.746 175.353 174.600 0.012 0.000 1.315 107 S CA -0.666 57.510 58.200 -0.041 0.000 1.050 107 S CB 0.812 63.996 63.200 -0.028 0.000 0.918 107 S HN 0.691 nan 8.310 nan 0.000 0.497 108 K N 1.770 122.192 120.400 0.037 0.000 2.286 108 K HA -0.236 4.084 4.320 -0.000 0.000 0.203 108 K C 2.256 178.926 176.600 0.116 0.000 1.045 108 K CA 1.886 58.237 56.287 0.106 0.000 0.935 108 K CB -0.263 32.282 32.500 0.076 0.000 0.737 108 K HN 0.903 nan 8.250 nan 0.000 0.460 109 Q N 0.387 120.227 119.800 0.067 0.000 2.224 109 Q HA -0.171 4.169 4.340 -0.000 0.000 0.203 109 Q C 1.713 177.754 176.000 0.068 0.000 0.970 109 Q CA 1.117 56.954 55.803 0.056 0.000 0.865 109 Q CB -0.121 28.638 28.738 0.034 0.000 0.922 109 Q HN 0.381 nan 8.270 nan 0.000 0.445 110 Q N -0.065 119.784 119.800 0.081 0.000 2.084 110 Q HA -0.101 4.239 4.340 -0.000 0.000 0.194 110 Q C 1.781 177.909 176.000 0.214 0.000 0.969 110 Q CA 0.943 56.819 55.803 0.122 0.000 0.829 110 Q CB -0.275 28.498 28.738 0.060 0.000 0.904 110 Q HN 0.380 nan 8.270 nan 0.000 0.464 111 Y N 1.648 122.032 120.300 0.140 0.000 2.348 111 Y HA -0.306 4.244 4.550 0.000 0.000 0.285 111 Y C 1.925 177.915 175.900 0.151 0.000 1.173 111 Y CA 1.132 59.367 58.100 0.224 0.000 1.263 111 Y CB -0.304 38.224 38.460 0.114 0.000 0.974 111 Y HN 0.126 nan 8.280 nan 0.000 0.547 112 A N 0.013 122.841 122.820 0.013 0.000 1.854 112 A HA -0.140 4.180 4.320 -0.000 0.000 0.214 112 A C 2.061 179.601 177.584 -0.072 0.000 1.192 112 A CA 1.648 53.652 52.037 -0.055 0.000 0.611 112 A CB -0.772 18.248 19.000 0.034 0.000 0.832 112 A HN 0.505 nan 8.150 nan 0.000 0.442 113 D N 0.427 120.826 120.400 -0.002 0.000 2.123 113 D HA -0.113 4.527 4.640 -0.000 0.000 0.196 113 D C 2.229 178.513 176.300 -0.025 0.000 0.992 113 D CA 1.548 55.551 54.000 0.004 0.000 0.833 113 D CB -0.458 40.369 40.800 0.044 0.000 0.954 113 D HN 0.422 nan 8.370 nan 0.000 0.455 114 A N 1.477 124.280 122.820 -0.028 0.000 1.865 114 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 114 A C 2.039 179.536 177.584 -0.144 0.000 1.191 114 A CA 1.550 53.521 52.037 -0.109 0.000 0.623 114 A CB -0.721 18.196 19.000 -0.139 0.000 0.826 114 A HN 0.174 nan 8.150 nan 0.000 0.444 115 N N 0.184 118.716 118.700 -0.281 0.000 2.453 115 N HA -0.059 4.681 4.740 -0.000 0.000 0.183 115 N C 1.758 177.252 175.510 -0.027 0.000 1.041 115 N CA 1.142 54.075 53.050 -0.195 0.000 0.900 115 N CB -0.181 38.048 38.487 -0.429 0.000 0.961 115 N HN 0.413 nan 8.380 nan 0.000 0.443 116 A N 0.968 123.754 122.820 -0.055 0.000 1.855 116 A HA 0.063 4.383 4.320 -0.000 0.000 0.215 116 A C 2.432 180.004 177.584 -0.020 0.000 1.191 116 A CA 1.677 53.697 52.037 -0.028 0.000 0.613 116 A CB -1.054 17.931 19.000 -0.025 0.000 0.829 116 A HN 0.351 nan 8.150 nan 0.000 0.442 117 A N -1.135 121.677 122.820 -0.013 0.000 1.865 117 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 117 A C 2.167 179.752 177.584 0.002 0.000 1.191 117 A CA 1.950 53.981 52.037 -0.010 0.000 0.623 117 A CB -1.095 17.897 19.000 -0.012 0.000 0.826 117 A HN 0.882 nan 8.150 nan 0.000 0.444 118 Y N 0.556 120.807 120.300 -0.082 0.000 2.193 118 Y HA -0.217 4.333 4.550 0.000 0.000 0.285 118 Y C 1.870 177.741 175.900 -0.048 0.000 1.166 118 Y CA 1.919 59.977 58.100 -0.070 0.000 1.181 118 Y CB -0.359 38.051 38.460 -0.083 0.000 0.976 118 Y HN 0.230 nan 8.280 nan 0.000 0.520 119 L N -0.291 120.766 121.223 -0.277 0.000 2.109 119 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 119 L C 2.527 179.254 176.870 -0.238 0.000 1.086 119 L CA 1.454 56.089 54.840 -0.341 0.000 0.760 119 L CB -0.560 41.419 42.059 -0.133 0.000 0.910 119 L HN 0.277 nan 8.230 nan 0.000 0.437 120 Q N -0.511 119.204 119.800 -0.142 0.000 2.084 120 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 120 Q C 2.386 178.323 176.000 -0.105 0.000 0.978 120 Q CA 1.818 57.564 55.803 -0.096 0.000 0.844 120 Q CB -0.166 28.538 28.738 -0.057 0.000 0.898 120 Q HN 0.423 nan 8.270 nan 0.000 0.426 121 S N 1.355 116.982 115.700 -0.122 0.000 2.351 121 S HA -0.228 4.242 4.470 -0.000 0.000 0.220 121 S C 1.822 176.344 174.600 -0.130 0.000 1.035 121 S CA 1.488 59.626 58.200 -0.102 0.000 1.031 121 S CB -0.334 62.818 63.200 -0.080 0.000 0.928 121 S HN 0.293 nan 8.310 nan 0.000 0.433 122 K N 1.251 121.506 120.400 -0.241 0.000 2.127 122 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 122 K C 2.119 178.646 176.600 -0.123 0.000 1.047 122 K CA 1.310 57.462 56.287 -0.225 0.000 0.927 122 K CB -0.331 31.918 32.500 -0.418 0.000 0.716 122 K HN 0.349 nan 8.250 nan 0.000 0.450 123 A N 0.652 123.402 122.820 -0.116 0.000 1.872 123 A HA -0.019 4.301 4.320 -0.000 0.000 0.214 123 A C 2.304 179.873 177.584 -0.024 0.000 1.187 123 A CA 1.561 53.561 52.037 -0.061 0.000 0.614 123 A CB -0.763 18.201 19.000 -0.059 0.000 0.826 123 A HN 0.445 nan 8.150 nan 0.000 0.442 124 A N -0.354 122.450 122.820 -0.026 0.000 1.883 124 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 124 A C 2.227 179.834 177.584 0.037 0.000 1.186 124 A CA 1.934 53.974 52.037 0.005 0.000 0.624 124 A CB -1.068 17.929 19.000 -0.006 0.000 0.822 124 A HN 0.411 nan 8.150 nan 0.000 0.444 125 V N 0.095 120.022 119.914 0.022 0.000 2.332 125 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 125 V C 2.643 178.823 176.094 0.143 0.000 1.055 125 V CA 2.485 64.827 62.300 0.070 0.000 1.038 125 V CB -0.766 31.066 31.823 0.014 0.000 0.651 125 V HN 0.700 nan 8.190 nan 0.000 0.450 126 E N 0.306 120.551 120.200 0.075 0.000 2.077 126 E HA -0.256 4.093 4.350 -0.000 0.000 0.193 126 E C 2.153 178.792 176.600 0.066 0.000 0.989 126 E CA 1.664 58.103 56.400 0.067 0.000 0.800 126 E CB -0.365 29.351 29.700 0.026 0.000 0.746 126 E HN 0.583 nan 8.360 nan 0.000 0.452 127 Q N -0.129 119.708 119.800 0.061 0.000 2.119 127 Q HA 0.021 4.361 4.340 -0.000 0.000 0.201 127 Q C 1.920 177.970 176.000 0.084 0.000 0.972 127 Q CA 1.926 57.766 55.803 0.061 0.000 0.847 127 Q CB -0.596 28.172 28.738 0.050 0.000 0.903 127 Q HN 0.306 nan 8.270 nan 0.000 0.433 128 A N 0.595 123.495 122.820 0.134 0.000 1.877 128 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 128 A C 2.158 179.799 177.584 0.096 0.000 1.186 128 A CA 1.648 53.802 52.037 0.194 0.000 0.620 128 A CB -0.708 18.490 19.000 0.330 0.000 0.822 128 A HN 0.432 nan 8.150 nan 0.000 0.443 129 R N -0.324 120.221 120.500 0.074 0.000 2.091 129 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 129 R C 1.874 178.064 176.300 -0.183 0.000 1.136 129 R CA 1.853 57.805 56.100 -0.247 0.000 0.959 129 R CB -0.358 29.914 30.300 -0.047 0.000 0.856 129 R HN 0.450 nan 8.270 nan 0.000 0.437 130 I N 1.803 122.339 120.570 -0.058 0.000 2.142 130 I HA -0.286 3.884 4.170 -0.000 0.000 0.240 130 I C 1.885 178.016 176.117 0.024 0.000 1.078 130 I CA 1.407 62.692 61.300 -0.026 0.000 1.343 130 I CB -1.539 36.516 38.000 0.093 0.000 1.046 130 I HN 0.292 nan 8.210 nan 0.000 0.405 131 N N 1.070 119.778 118.700 0.014 0.000 2.104 131 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 131 N C 2.082 177.416 175.510 -0.294 0.000 1.024 131 N CA 1.021 53.996 53.050 -0.125 0.000 0.853 131 N CB -0.462 37.907 38.487 -0.196 0.000 1.008 131 N HN 0.339 nan 8.380 nan 0.000 0.424 132 L N 1.224 122.321 121.223 -0.210 0.000 2.012 132 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 132 L C 2.712 179.471 176.870 -0.186 0.000 1.073 132 L CA 1.214 55.944 54.840 -0.182 0.000 0.748 132 L CB -0.148 41.772 42.059 -0.232 0.000 0.891 132 L HN 0.150 nan 8.230 nan 0.000 0.431 133 R N -1.057 119.308 120.500 -0.227 0.000 2.091 133 R HA -0.235 4.105 4.340 -0.000 0.000 0.238 133 R C 2.125 178.279 176.300 -0.244 0.000 1.136 133 R CA 1.897 57.844 56.100 -0.256 0.000 0.959 133 R CB -0.429 29.663 30.300 -0.347 0.000 0.856 133 R HN 0.397 nan 8.270 nan 0.000 0.437 134 Y N -0.344 119.854 120.300 -0.170 0.000 2.639 134 Y HA -0.119 4.431 4.550 0.000 0.000 0.297 134 Y C 2.358 178.178 175.900 -0.133 0.000 1.151 134 Y CA 1.067 59.078 58.100 -0.147 0.000 1.335 134 Y CB 0.020 38.375 38.460 -0.175 0.000 0.994 134 Y HN 0.093 nan 8.280 nan 0.000 0.548 135 T N -0.054 114.481 114.554 -0.031 0.000 2.881 135 T HA -0.107 4.243 4.350 -0.000 0.000 0.270 135 T C 0.764 175.491 174.700 0.045 0.000 1.068 135 T CA 1.017 63.117 62.100 0.000 0.000 1.131 135 T CB -0.129 68.745 68.868 0.009 0.000 0.871 135 T HN 0.039 nan 8.240 nan 0.000 0.479 136 K N 2.563 122.977 120.400 0.022 0.000 2.300 136 K HA 0.321 4.641 4.320 -0.000 0.000 0.264 136 K C -0.928 175.711 176.600 0.064 0.000 1.083 136 K CA -0.215 56.097 56.287 0.043 0.000 0.958 136 K CB 1.427 33.928 32.500 0.002 0.000 1.318 136 K HN 0.023 nan 8.250 nan 0.000 0.448 137 V N 5.740 125.730 119.914 0.128 0.000 2.403 137 V HA 0.045 4.165 4.120 -0.000 0.000 0.265 137 V C 0.695 176.874 176.094 0.142 0.000 1.034 137 V CA 0.032 62.425 62.300 0.154 0.000 1.036 137 V CB -0.225 31.733 31.823 0.226 0.000 1.032 137 V HN 0.502 nan 8.190 nan 0.000 0.478 138 L N 3.759 125.029 121.223 0.078 0.000 2.416 138 L HA 0.448 4.788 4.340 -0.000 0.000 0.262 138 L C 0.734 177.623 176.870 0.032 0.000 1.093 138 L CA -0.162 54.703 54.840 0.041 0.000 0.801 138 L CB 1.411 43.472 42.059 0.004 0.000 1.191 138 L HN 0.551 nan 8.230 nan 0.000 0.459 139 S N 1.788 117.486 115.700 -0.004 0.000 2.465 139 S HA 0.249 4.719 4.470 -0.000 0.000 0.279 139 S C -1.301 173.287 174.600 -0.020 0.000 1.201 139 S CA -1.454 56.727 58.200 -0.031 0.000 1.053 139 S CB 0.921 64.077 63.200 -0.074 0.000 0.953 139 S HN 0.424 nan 8.310 nan 0.000 0.488 140 P HA 0.065 nan 4.420 nan 0.000 0.219 140 P C 0.064 177.357 177.300 -0.012 0.000 1.150 140 P CA 0.593 63.689 63.100 -0.008 0.000 0.814 140 P CB 0.209 31.909 31.700 -0.001 0.000 0.787 141 I N -1.190 119.369 120.570 -0.018 0.000 3.067 141 I HA 0.254 4.424 4.170 -0.000 0.000 0.312 141 I C 0.040 176.144 176.117 -0.020 0.000 1.073 141 I CA -1.157 60.135 61.300 -0.013 0.000 1.016 141 I CB 1.997 39.992 38.000 -0.009 0.000 1.227 141 I HN -0.313 nan 8.210 nan 0.000 0.456 142 S N 1.346 117.040 115.700 -0.009 0.000 2.480 142 S HA 0.867 5.337 4.470 -0.000 0.000 0.286 142 S C 0.110 174.703 174.600 -0.012 0.000 1.180 142 S CA -0.053 58.138 58.200 -0.015 0.000 1.075 142 S CB 1.110 64.305 63.200 -0.008 0.000 0.996 142 S HN 0.962 nan 8.310 nan 0.000 0.487 143 G N 2.199 110.982 108.800 -0.027 0.000 2.435 143 G HA2 0.371 4.331 3.960 -0.000 0.000 0.228 143 G HA3 0.371 4.331 3.960 -0.000 0.000 0.228 143 G C -1.648 173.230 174.900 -0.037 0.000 1.198 143 G CA -0.870 44.217 45.100 -0.022 0.000 0.948 143 G HN 0.575 nan 8.290 nan 0.000 0.487 144 R N 0.496 120.976 120.500 -0.033 0.000 2.275 144 R HA 0.536 4.876 4.340 -0.000 0.000 0.326 144 R C -0.458 175.812 176.300 -0.051 0.000 0.973 144 R CA -0.593 55.487 56.100 -0.034 0.000 0.854 144 R CB 0.340 30.631 30.300 -0.015 0.000 1.156 144 R HN 0.442 nan 8.270 nan 0.000 0.487 145 I N 2.425 122.939 120.570 -0.094 0.000 2.638 145 I HA 0.422 4.592 4.170 -0.000 0.000 0.286 145 I C 1.081 177.191 176.117 -0.010 0.000 1.088 145 I CA -0.219 60.999 61.300 -0.137 0.000 1.397 145 I CB 1.118 38.864 38.000 -0.423 0.000 1.414 145 I HN 0.604 nan 8.210 nan 0.000 0.566 146 G N 3.882 112.704 108.800 0.037 0.000 3.194 146 G HA2 0.483 4.443 3.960 -0.000 0.000 0.160 146 G HA3 0.483 4.443 3.960 -0.000 0.000 0.160 146 G C -0.176 174.828 174.900 0.173 0.000 1.267 146 G CA -1.052 44.101 45.100 0.088 0.000 0.962 146 G HN 0.549 nan 8.290 nan 0.000 0.612 147 R N -0.265 120.317 120.500 0.135 0.000 2.734 147 R HA 0.360 4.700 4.340 -0.000 0.000 0.266 147 R C -0.017 176.412 176.300 0.216 0.000 1.044 147 R CA 0.164 56.351 56.100 0.146 0.000 1.128 147 R CB 0.750 31.104 30.300 0.091 0.000 1.010 147 R HN 0.336 nan 8.270 nan 0.000 0.461 148 S N 0.797 116.627 115.700 0.217 0.000 2.422 148 S HA 0.308 4.778 4.470 -0.000 0.000 0.308 148 S C 0.832 175.543 174.600 0.186 0.000 1.097 148 S CA -0.537 57.846 58.200 0.304 0.000 1.099 148 S CB 1.352 64.710 63.200 0.263 0.000 0.976 148 S HN 0.680 nan 8.310 nan 0.000 0.471 149 A N 4.629 127.550 122.820 0.168 0.000 2.216 149 A HA 0.276 4.596 4.320 -0.000 0.000 0.214 149 A C 0.553 178.183 177.584 0.076 0.000 1.160 149 A CA 0.418 52.513 52.037 0.097 0.000 0.725 149 A CB -0.040 19.004 19.000 0.073 0.000 0.784 149 A HN 0.670 nan 8.150 nan 0.000 0.472 150 V N 0.957 120.935 119.914 0.106 0.000 2.487 150 V HA 0.367 4.487 4.120 -0.000 0.000 0.298 150 V C 0.520 176.669 176.094 0.092 0.000 1.028 150 V CA -0.186 62.151 62.300 0.063 0.000 0.860 150 V CB 1.811 33.626 31.823 -0.013 0.000 0.991 150 V HN 0.506 nan 8.190 nan 0.000 0.427 151 T N 2.278 116.863 114.554 0.052 0.000 2.849 151 T HA 0.445 4.795 4.350 -0.000 0.000 0.284 151 T C 0.088 174.820 174.700 0.052 0.000 1.004 151 T CA -0.699 61.428 62.100 0.044 0.000 1.021 151 T CB 0.828 69.710 68.868 0.022 0.000 1.013 151 T HN 0.683 nan 8.240 nan 0.000 0.527 152 E N 0.177 120.401 120.200 0.041 0.000 2.409 152 E HA 0.384 4.734 4.350 -0.000 0.000 0.257 152 E C 1.350 177.969 176.600 0.031 0.000 1.150 152 E CA -0.029 56.400 56.400 0.047 0.000 0.942 152 E CB -0.058 29.657 29.700 0.025 0.000 0.979 152 E HN 1.092 nan 8.360 nan 0.000 0.447 153 G N 0.487 109.306 108.800 0.032 0.000 2.257 153 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.267 153 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.267 153 G C 0.513 175.422 174.900 0.016 0.000 0.984 153 G CA 0.328 45.441 45.100 0.021 0.000 0.626 153 G HN 0.872 nan 8.290 nan 0.000 0.540 154 A N -0.277 122.552 122.820 0.015 0.000 2.406 154 A HA 0.641 4.961 4.320 -0.000 0.000 0.243 154 A C 0.373 177.957 177.584 -0.001 0.000 1.082 154 A CA 0.477 52.517 52.037 0.005 0.000 0.786 154 A CB 0.579 19.580 19.000 0.002 0.000 1.029 154 A HN 1.488 nan 8.150 nan 0.000 0.495 155 L N 2.035 123.255 121.223 -0.004 0.000 2.292 155 L HA 0.616 4.956 4.340 -0.000 0.000 0.284 155 L C -0.357 176.504 176.870 -0.015 0.000 1.065 155 L CA 0.102 54.939 54.840 -0.005 0.000 0.806 155 L CB 1.314 43.371 42.059 -0.004 0.000 1.175 155 L HN 0.448 nan 8.230 nan 0.000 0.431 156 V N 4.502 124.406 119.914 -0.015 0.000 2.656 156 V HA 0.669 4.789 4.120 -0.000 0.000 0.307 156 V C -0.509 175.573 176.094 -0.019 0.000 1.051 156 V CA -0.193 62.087 62.300 -0.032 0.000 0.893 156 V CB 2.508 34.293 31.823 -0.063 0.000 0.999 156 V HN 0.954 nan 8.190 nan 0.000 0.426 157 T N 5.280 119.818 114.554 -0.028 0.000 2.841 157 T HA 0.337 4.687 4.350 -0.000 0.000 0.283 157 T C -0.180 174.495 174.700 -0.042 0.000 1.000 157 T CA -0.435 61.651 62.100 -0.024 0.000 0.977 157 T CB 1.031 69.887 68.868 -0.020 0.000 0.979 157 T HN 0.781 nan 8.240 nan 0.000 0.446 158 N N 1.269 119.940 118.700 -0.048 0.000 2.447 158 N HA 0.274 5.014 4.740 -0.000 0.000 0.263 158 N C 1.294 176.763 175.510 -0.069 0.000 1.226 158 N CA 0.940 53.940 53.050 -0.082 0.000 0.906 158 N CB 0.026 38.448 38.487 -0.107 0.000 1.060 158 N HN 0.999 nan 8.380 nan 0.000 0.468 159 G N 2.089 110.846 108.800 -0.072 0.000 2.175 159 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.244 159 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.244 159 G C -0.016 174.860 174.900 -0.041 0.000 0.982 159 G CA 0.365 45.432 45.100 -0.055 0.000 0.641 159 G HN 0.829 nan 8.290 nan 0.000 0.527 160 Q N 0.142 119.917 119.800 -0.041 0.000 2.349 160 Q HA 0.594 4.934 4.340 -0.000 0.000 0.287 160 Q C 1.644 177.627 176.000 -0.028 0.000 1.044 160 Q CA 0.682 56.466 55.803 -0.032 0.000 0.918 160 Q CB 0.896 29.614 28.738 -0.033 0.000 1.242 160 Q HN 1.011 nan 8.270 nan 0.000 0.405 161 A N 4.290 127.097 122.820 -0.021 0.000 1.849 161 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 161 A C 0.662 178.237 177.584 -0.015 0.000 1.202 161 A CA 1.500 53.527 52.037 -0.017 0.000 0.629 161 A CB -0.668 18.325 19.000 -0.012 0.000 0.834 161 A HN 0.917 nan 8.150 nan 0.000 0.447 162 N N 0.219 118.912 118.700 -0.013 0.000 2.508 162 N HA 0.423 5.163 4.740 -0.000 0.000 0.264 162 N C -0.193 175.310 175.510 -0.012 0.000 1.216 162 N CA 0.671 53.716 53.050 -0.008 0.000 0.943 162 N CB 0.753 39.238 38.487 -0.003 0.000 1.113 162 N HN 0.462 nan 8.380 nan 0.000 0.447 163 A N 1.448 124.267 122.820 -0.002 0.000 2.316 163 A HA 0.296 4.616 4.320 -0.000 0.000 0.284 163 A C 1.295 178.885 177.584 0.011 0.000 1.115 163 A CA -0.486 51.551 52.037 -0.000 0.000 0.812 163 A CB 0.450 19.456 19.000 0.010 0.000 1.064 163 A HN 0.760 nan 8.150 nan 0.000 0.489 164 M N 1.004 120.602 119.600 -0.003 0.000 2.175 164 M HA 0.064 4.544 4.480 -0.000 0.000 0.264 164 M C 0.857 177.253 176.300 0.161 0.000 1.063 164 M CA 2.156 57.462 55.300 0.010 0.000 1.119 164 M CB -0.105 32.386 32.600 -0.182 0.000 1.377 164 M HN 0.877 nan 8.290 nan 0.000 0.415 165 A N -1.364 121.546 122.820 0.151 0.000 2.586 165 A HA 0.648 4.968 4.320 -0.000 0.000 0.290 165 A C -1.025 176.593 177.584 0.056 0.000 1.086 165 A CA -0.813 51.314 52.037 0.150 0.000 0.665 165 A CB 1.053 20.192 19.000 0.232 0.000 1.279 165 A HN 0.046 nan 8.150 nan 0.000 0.423 166 T N 0.971 115.540 114.554 0.025 0.000 2.840 166 T HA 0.545 4.895 4.350 -0.000 0.000 0.287 166 T C -0.723 173.956 174.700 -0.035 0.000 0.991 166 T CA -0.322 61.776 62.100 -0.002 0.000 0.964 166 T CB 1.193 70.067 68.868 0.011 0.000 0.954 166 T HN 0.679 nan 8.240 nan 0.000 0.438 167 V N 4.154 124.038 119.914 -0.051 0.000 2.509 167 V HA 0.426 4.546 4.120 -0.000 0.000 0.284 167 V C -0.010 176.067 176.094 -0.029 0.000 1.047 167 V CA -0.472 61.790 62.300 -0.063 0.000 0.952 167 V CB 1.445 33.222 31.823 -0.076 0.000 0.988 167 V HN 0.821 nan 8.190 nan 0.000 0.469 168 Q N 3.238 123.025 119.800 -0.021 0.000 2.337 168 Q HA 0.286 4.626 4.340 -0.000 0.000 0.260 168 Q C -0.722 175.283 176.000 0.007 0.000 0.982 168 Q CA -0.321 55.482 55.803 -0.000 0.000 0.734 168 Q CB 2.214 30.954 28.738 0.004 0.000 1.272 168 Q HN 0.764 nan 8.270 nan 0.000 0.461 169 Q N 3.600 123.416 119.800 0.028 0.000 2.255 169 Q HA 0.071 4.411 4.340 -0.000 0.000 0.280 169 Q C -0.188 175.835 176.000 0.039 0.000 1.068 169 Q CA 0.523 56.350 55.803 0.041 0.000 0.911 169 Q CB 0.496 29.297 28.738 0.106 0.000 1.157 169 Q HN 0.720 nan 8.270 nan 0.000 0.380 170 L N 3.173 124.392 121.223 -0.006 0.000 2.966 170 L HA 0.140 4.480 4.340 -0.000 0.000 0.262 170 L C 1.103 177.928 176.870 -0.075 0.000 1.165 170 L CA -0.389 54.435 54.840 -0.026 0.000 0.978 170 L CB 0.238 42.285 42.059 -0.020 0.000 1.337 170 L HN 0.687 nan 8.230 nan 0.000 0.563 171 D N 2.248 122.587 120.400 -0.102 0.000 1.852 171 D HA -0.025 4.615 4.640 -0.000 0.000 0.277 171 D C -1.707 174.448 176.300 -0.241 0.000 1.056 171 D CA 0.375 54.295 54.000 -0.134 0.000 0.962 171 D CB -0.716 40.005 40.800 -0.131 0.000 1.390 171 D HN -0.028 nan 8.370 nan 0.000 0.518 172 P HA 0.043 nan 4.420 nan 0.000 0.261 172 P C -0.392 176.555 177.300 -0.588 0.000 1.183 172 P CA 0.577 63.297 63.100 -0.634 0.000 0.761 172 P CB 0.282 31.285 31.700 -1.161 0.000 0.785 173 I N 4.126 124.535 120.570 -0.268 0.000 2.569 173 I HA 0.341 4.511 4.170 -0.000 0.000 0.296 173 I C -0.301 175.833 176.117 0.030 0.000 1.028 173 I CA -1.536 59.694 61.300 -0.116 0.000 1.082 173 I CB 1.555 39.514 38.000 -0.069 0.000 1.264 173 I HN 0.250 nan 8.210 nan 0.000 0.429 174 Y N 5.081 125.494 120.300 0.188 0.000 2.298 174 Y HA 0.464 5.014 4.550 -0.000 0.000 0.329 174 Y C -0.098 175.854 175.900 0.087 0.000 1.293 174 Y CA -0.742 57.452 58.100 0.157 0.000 1.388 174 Y CB 1.548 40.078 38.460 0.117 0.000 1.309 174 Y HN 0.175 nan 8.280 nan 0.000 0.544 175 V N 2.133 122.224 119.914 0.296 0.000 2.509 175 V HA 0.111 4.231 4.120 -0.000 0.000 0.289 175 V C -1.369 174.769 176.094 0.072 0.000 1.026 175 V CA -0.995 61.388 62.300 0.139 0.000 0.872 175 V CB 1.332 33.257 31.823 0.170 0.000 1.017 175 V HN 0.666 nan 8.190 nan 0.000 0.436 176 D N 3.570 123.970 120.400 0.000 0.000 2.339 176 D HA 0.428 5.068 4.640 -0.000 0.000 0.256 176 D C -0.172 176.102 176.300 -0.043 0.000 1.214 176 D CA 0.326 54.298 54.000 -0.048 0.000 0.877 176 D CB 1.708 42.464 40.800 -0.074 0.000 1.111 176 D HN 0.275 nan 8.370 nan 0.000 0.478 177 V N 2.574 122.469 119.914 -0.032 0.000 2.513 177 V HA 0.488 4.608 4.120 -0.000 0.000 0.299 177 V C 0.383 176.470 176.094 -0.010 0.000 1.035 177 V CA -0.618 61.675 62.300 -0.012 0.000 0.889 177 V CB 2.154 33.982 31.823 0.008 0.000 0.988 177 V HN 0.456 nan 8.190 nan 0.000 0.440 178 T N 4.734 119.290 114.554 0.003 0.000 2.815 178 T HA 0.484 4.834 4.350 -0.000 0.000 0.289 178 T C -0.658 174.060 174.700 0.029 0.000 1.000 178 T CA -0.493 61.612 62.100 0.009 0.000 0.958 178 T CB 1.053 69.921 68.868 0.001 0.000 0.944 178 T HN 0.559 nan 8.240 nan 0.000 0.442 179 Q N 2.653 122.473 119.800 0.035 0.000 2.387 179 Q HA 0.459 4.799 4.340 -0.000 0.000 0.273 179 Q C -2.690 173.331 176.000 0.036 0.000 1.089 179 Q CA -2.636 53.194 55.803 0.045 0.000 0.824 179 Q CB 2.009 30.785 28.738 0.064 0.000 1.367 179 Q HN 0.300 nan 8.270 nan 0.000 0.443 180 P HA 0.024 nan 4.420 nan 0.000 0.271 180 P C 0.738 178.053 177.300 0.026 0.000 1.216 180 P CA 0.314 63.430 63.100 0.026 0.000 0.771 180 P CB 0.755 32.469 31.700 0.024 0.000 0.864 181 S N 2.250 117.962 115.700 0.020 0.000 2.422 181 S HA -0.246 4.224 4.470 -0.000 0.000 0.241 181 S C 1.695 176.305 174.600 0.017 0.000 1.076 181 S CA 2.529 60.740 58.200 0.019 0.000 1.066 181 S CB -0.892 62.315 63.200 0.012 0.000 0.890 181 S HN 0.543 nan 8.310 nan 0.000 0.465 182 T N 1.887 116.450 114.554 0.014 0.000 2.622 182 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 182 T C 2.092 176.799 174.700 0.012 0.000 1.047 182 T CA 1.633 63.739 62.100 0.010 0.000 1.159 182 T CB -0.966 67.907 68.868 0.009 0.000 0.863 182 T HN 0.597 nan 8.240 nan 0.000 0.422 183 A N 1.870 124.704 122.820 0.022 0.000 1.948 183 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 183 A C 2.286 179.894 177.584 0.039 0.000 1.177 183 A CA 1.259 53.315 52.037 0.031 0.000 0.636 183 A CB -0.926 18.101 19.000 0.044 0.000 0.815 183 A HN 0.445 nan 8.150 nan 0.000 0.449 184 L N -0.538 120.714 121.223 0.049 0.000 2.079 184 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 184 L C 2.277 179.148 176.870 0.002 0.000 1.081 184 L CA 1.876 56.759 54.840 0.072 0.000 0.752 184 L CB -0.754 41.353 42.059 0.079 0.000 0.896 184 L HN 0.476 nan 8.230 nan 0.000 0.433 185 L N -0.612 120.602 121.223 -0.016 0.000 2.044 185 L HA -0.173 4.167 4.340 -0.000 0.000 0.205 185 L C 2.863 179.688 176.870 -0.074 0.000 1.075 185 L CA 0.796 55.606 54.840 -0.049 0.000 0.747 185 L CB -0.641 41.401 42.059 -0.029 0.000 0.903 185 L HN 0.278 nan 8.230 nan 0.000 0.435 186 R N 1.067 121.540 120.500 -0.044 0.000 2.112 186 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 186 R C 2.126 178.379 176.300 -0.079 0.000 1.137 186 R CA 1.952 58.026 56.100 -0.044 0.000 0.944 186 R CB -0.805 29.486 30.300 -0.015 0.000 0.857 186 R HN 0.363 nan 8.270 nan 0.000 0.435 187 L N 0.261 121.432 121.223 -0.086 0.000 2.093 187 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 187 L C 2.867 179.481 176.870 -0.427 0.000 1.085 187 L CA 1.089 55.836 54.840 -0.154 0.000 0.755 187 L CB -0.508 41.551 42.059 -0.001 0.000 0.904 187 L HN 0.146 nan 8.230 nan 0.000 0.435 188 R N 0.328 120.546 120.500 -0.470 0.000 2.127 188 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 188 R C 2.411 178.521 176.300 -0.317 0.000 1.134 188 R CA 1.267 57.041 56.100 -0.543 0.000 0.975 188 R CB -0.274 29.835 30.300 -0.318 0.000 0.865 188 R HN 0.431 nan 8.270 nan 0.000 0.447 189 R N 0.754 121.134 120.500 -0.200 0.000 2.064 189 R HA -0.101 4.239 4.340 -0.000 0.000 0.228 189 R C 2.210 178.440 176.300 -0.117 0.000 1.144 189 R CA 1.524 57.549 56.100 -0.126 0.000 0.932 189 R CB -0.298 29.952 30.300 -0.083 0.000 0.833 189 R HN 0.332 nan 8.270 nan 0.000 0.429 190 E N 1.160 121.295 120.200 -0.110 0.000 2.187 190 E HA -0.251 4.099 4.350 -0.000 0.000 0.199 190 E C 1.976 178.528 176.600 -0.080 0.000 1.004 190 E CA 1.020 57.375 56.400 -0.075 0.000 0.813 190 E CB -0.277 29.391 29.700 -0.053 0.000 0.736 190 E HN 0.244 nan 8.360 nan 0.000 0.468 191 L N 0.906 122.039 121.223 -0.150 0.000 2.027 191 L HA -0.104 4.236 4.340 -0.000 0.000 0.206 191 L C 2.264 179.090 176.870 -0.073 0.000 1.074 191 L CA 2.128 56.896 54.840 -0.120 0.000 0.745 191 L CB -0.833 41.066 42.059 -0.267 0.000 0.898 191 L HN 0.104 nan 8.230 nan 0.000 0.433 192 A N -0.338 122.427 122.820 -0.091 0.000 1.970 192 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 192 A C 2.069 179.630 177.584 -0.038 0.000 1.170 192 A CA 1.171 53.174 52.037 -0.056 0.000 0.645 192 A CB -0.609 18.354 19.000 -0.061 0.000 0.816 192 A HN 0.654 nan 8.150 nan 0.000 0.447 193 S N -0.811 114.864 115.700 -0.043 0.000 2.840 193 S HA 0.370 4.840 4.470 -0.000 0.000 0.235 193 S C 1.373 175.961 174.600 -0.019 0.000 0.968 193 S CA 0.825 59.008 58.200 -0.029 0.000 1.026 193 S CB -0.960 62.222 63.200 -0.030 0.000 0.788 193 S HN 1.750 nan 8.310 nan 0.000 0.487 194 G N 1.473 110.263 108.800 -0.016 0.000 2.230 194 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.270 194 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.270 194 G C 0.716 175.615 174.900 -0.001 0.000 0.987 194 G CA 0.862 45.959 45.100 -0.005 0.000 0.664 194 G HN 0.634 nan 8.290 nan 0.000 0.539 195 Q N -1.283 118.513 119.800 -0.007 0.000 2.500 195 Q HA 0.239 4.579 4.340 -0.000 0.000 0.213 195 Q C 0.250 176.255 176.000 0.009 0.000 0.974 195 Q CA 0.461 56.263 55.803 -0.001 0.000 0.918 195 Q CB -0.052 28.681 28.738 -0.008 0.000 0.980 195 Q HN 0.469 nan 8.270 nan 0.000 0.505 196 L N 0.441 121.673 121.223 0.013 0.000 2.381 196 L HA 0.280 4.620 4.340 -0.000 0.000 0.268 196 L C -0.713 176.184 176.870 0.044 0.000 0.997 196 L CA -0.443 54.420 54.840 0.038 0.000 0.818 196 L CB 2.062 44.153 42.059 0.053 0.000 1.310 196 L HN -0.050 nan 8.230 nan 0.000 0.416 197 E N 4.117 124.347 120.200 0.050 0.000 2.238 197 E HA 0.041 4.391 4.350 -0.000 0.000 0.264 197 E C -0.186 176.444 176.600 0.051 0.000 1.136 197 E CA -0.417 56.008 56.400 0.042 0.000 0.929 197 E CB 0.298 30.020 29.700 0.037 0.000 1.010 197 E HN 0.277 nan 8.360 nan 0.000 0.440 198 R N 2.098 122.625 120.500 0.043 0.000 2.758 198 R HA -0.031 4.309 4.340 -0.000 0.000 0.263 198 R C 0.209 176.531 176.300 0.037 0.000 1.010 198 R CA 0.862 56.991 56.100 0.048 0.000 1.114 198 R CB 0.857 31.177 30.300 0.033 0.000 0.985 198 R HN 0.677 nan 8.270 nan 0.000 0.439 199 A N 0.116 122.959 122.820 0.038 0.000 2.664 199 A HA 0.373 4.693 4.320 -0.000 0.000 0.222 199 A C 0.424 178.016 177.584 0.013 0.000 1.320 199 A CA 0.672 52.716 52.037 0.013 0.000 1.029 199 A CB 0.845 19.840 19.000 -0.008 0.000 1.318 199 A HN 0.834 nan 8.150 nan 0.000 0.589 200 G N -0.462 108.357 108.800 0.031 0.000 2.356 200 G HA2 0.337 4.297 3.960 -0.000 0.000 0.300 200 G HA3 0.337 4.297 3.960 -0.000 0.000 0.300 200 G C -2.196 172.733 174.900 0.049 0.000 1.331 200 G CA -0.625 44.493 45.100 0.030 0.000 0.905 200 G HN -0.013 nan 8.290 nan 0.000 0.587 201 D N 1.526 121.952 120.400 0.044 0.000 2.412 201 D HA 0.147 4.787 4.640 -0.000 0.000 0.257 201 D C 0.838 177.187 176.300 0.082 0.000 1.217 201 D CA 0.568 54.599 54.000 0.052 0.000 0.897 201 D CB 0.506 41.329 40.800 0.038 0.000 1.132 201 D HN 0.512 nan 8.370 nan 0.000 0.493 202 N N 0.200 118.971 118.700 0.118 0.000 2.800 202 N HA -0.193 4.547 4.740 -0.000 0.000 0.250 202 N C -0.860 174.854 175.510 0.339 0.000 1.078 202 N CA 1.051 54.233 53.050 0.221 0.000 0.804 202 N CB -0.760 37.824 38.487 0.163 0.000 1.135 202 N HN 0.595 nan 8.380 nan 0.000 0.565 203 A N -0.353 122.603 122.820 0.227 0.000 2.381 203 A HA 0.836 5.156 4.320 -0.000 0.000 0.299 203 A C -0.322 177.346 177.584 0.139 0.000 1.049 203 A CA 0.155 52.256 52.037 0.106 0.000 0.715 203 A CB 1.747 20.750 19.000 0.004 0.000 1.222 203 A HN 0.380 nan 8.150 nan 0.000 0.428 204 A N 2.437 125.332 122.820 0.125 0.000 2.337 204 A HA 0.673 4.993 4.320 -0.000 0.000 0.329 204 A C 0.018 177.606 177.584 0.007 0.000 1.146 204 A CA -0.674 51.446 52.037 0.137 0.000 0.800 204 A CB 0.545 19.725 19.000 0.300 0.000 1.220 204 A HN 0.780 nan 8.150 nan 0.000 0.472 205 K N 0.662 121.068 120.400 0.010 0.000 2.436 205 K HA 0.386 4.706 4.320 -0.000 0.000 0.275 205 K C -0.643 175.946 176.600 -0.019 0.000 0.999 205 K CA 0.272 56.543 56.287 -0.026 0.000 0.980 205 K CB 0.557 33.056 32.500 -0.002 0.000 0.919 205 K HN 0.417 nan 8.250 nan 0.000 0.484 206 V N 0.966 120.845 119.914 -0.059 0.000 3.114 206 V HA 0.284 4.404 4.120 -0.000 0.000 0.308 206 V C -0.695 175.471 176.094 0.120 0.000 1.168 206 V CA -0.969 61.338 62.300 0.012 0.000 1.015 206 V CB 2.509 34.321 31.823 -0.019 0.000 1.050 206 V HN 0.775 nan 8.190 nan 0.000 0.433 207 S N 1.705 117.547 115.700 0.238 0.000 2.568 207 S HA 0.814 5.284 4.470 -0.000 0.000 0.302 207 S C -1.123 173.714 174.600 0.395 0.000 1.082 207 S CA -0.453 57.949 58.200 0.337 0.000 1.009 207 S CB 1.828 65.143 63.200 0.192 0.000 1.069 207 S HN 0.532 nan 8.310 nan 0.000 0.500 208 L N 2.427 123.836 121.223 0.309 0.000 2.329 208 L HA 0.601 4.941 4.340 -0.000 0.000 0.279 208 L C -0.542 176.357 176.870 0.048 0.000 1.014 208 L CA -0.201 54.642 54.840 0.006 0.000 0.814 208 L CB 1.283 42.950 42.059 -0.654 0.000 1.257 208 L HN 0.634 nan 8.230 nan 0.000 0.424 209 K N 5.825 126.255 120.400 0.050 0.000 2.572 209 K HA 0.454 4.774 4.320 -0.000 0.000 0.244 209 K C -1.134 175.507 176.600 0.068 0.000 0.965 209 K CA -0.561 55.776 56.287 0.084 0.000 0.943 209 K CB 0.618 33.193 32.500 0.124 0.000 1.154 209 K HN 0.661 nan 8.250 nan 0.000 0.447 210 L N 3.500 124.742 121.223 0.032 0.000 2.499 210 L HA -0.018 4.322 4.340 -0.000 0.000 0.281 210 L C 1.667 178.571 176.870 0.057 0.000 1.234 210 L CA 0.190 55.039 54.840 0.014 0.000 0.839 210 L CB 0.366 42.434 42.059 0.015 0.000 1.104 210 L HN 0.752 nan 8.230 nan 0.000 0.500 211 E N -0.412 119.818 120.200 0.051 0.000 2.510 211 E HA -0.228 4.122 4.350 -0.000 0.000 0.202 211 E C 0.794 177.424 176.600 0.049 0.000 1.072 211 E CA 0.845 57.286 56.400 0.068 0.000 0.883 211 E CB -0.059 29.674 29.700 0.055 0.000 0.818 211 E HN 0.722 nan 8.360 nan 0.000 0.548 212 D N 0.433 120.858 120.400 0.041 0.000 2.149 212 D HA -0.067 4.573 4.640 -0.000 0.000 0.201 212 D C 1.572 177.894 176.300 0.036 0.000 0.972 212 D CA 2.062 56.081 54.000 0.031 0.000 0.835 212 D CB 0.118 40.935 40.800 0.030 0.000 0.966 212 D HN 0.369 nan 8.370 nan 0.000 0.476 213 G N -0.606 108.223 108.800 0.049 0.000 2.352 213 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.204 213 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.204 213 G C 0.439 175.366 174.900 0.045 0.000 1.004 213 G CA 0.441 45.569 45.100 0.046 0.000 0.648 213 G HN 0.596 nan 8.290 nan 0.000 0.491 214 S N 0.968 116.693 115.700 0.042 0.000 2.580 214 S HA 0.525 4.995 4.470 -0.000 0.000 0.266 214 S C -0.040 174.594 174.600 0.057 0.000 1.354 214 S CA 0.076 58.301 58.200 0.043 0.000 1.008 214 S CB 1.209 64.433 63.200 0.041 0.000 0.898 214 S HN 0.378 nan 8.310 nan 0.000 0.555 215 Q N 1.146 120.978 119.800 0.054 0.000 2.372 215 Q HA 0.245 4.585 4.340 -0.000 0.000 0.259 215 Q C -1.210 174.843 176.000 0.088 0.000 0.993 215 Q CA -0.430 55.416 55.803 0.070 0.000 0.854 215 Q CB 1.173 29.941 28.738 0.050 0.000 1.231 215 Q HN 0.772 nan 8.270 nan 0.000 0.462 216 Y N 6.629 126.914 120.300 -0.025 0.000 2.745 216 Y HA -0.044 4.506 4.550 -0.000 0.000 0.335 216 Y C -1.159 174.744 175.900 0.005 0.000 1.212 216 Y CA -1.107 56.969 58.100 -0.040 0.000 1.535 216 Y CB 0.562 38.949 38.460 -0.122 0.000 1.220 216 Y HN 0.509 nan 8.280 nan 0.000 0.531 217 P HA -0.251 nan 4.420 nan 0.000 0.217 217 P C 0.163 177.303 177.300 -0.267 0.000 1.158 217 P CA 1.583 64.501 63.100 -0.304 0.000 0.887 217 P CB 0.296 31.803 31.700 -0.321 0.000 0.792 218 L N -0.438 120.501 121.223 -0.475 0.000 2.469 218 L HA 0.319 4.659 4.340 -0.000 0.000 0.253 218 L C 1.004 178.017 176.870 0.238 0.000 1.143 218 L CA -0.714 54.073 54.840 -0.090 0.000 0.804 218 L CB 0.255 42.294 42.059 -0.033 0.000 1.214 218 L HN 0.057 nan 8.230 nan 0.000 0.476 219 E N -0.926 119.423 120.200 0.249 0.000 2.408 219 E HA 0.774 5.124 4.350 -0.000 0.000 0.275 219 E C -0.947 175.681 176.600 0.047 0.000 0.935 219 E CA -0.971 55.598 56.400 0.281 0.000 0.775 219 E CB 2.255 32.045 29.700 0.150 0.000 1.277 219 E HN 0.628 nan 8.360 nan 0.000 0.455 220 G N 0.417 109.023 108.800 -0.323 0.000 2.721 220 G HA2 0.430 4.390 3.960 -0.000 0.000 0.296 220 G HA3 0.430 4.390 3.960 -0.000 0.000 0.296 220 G C -1.093 173.522 174.900 -0.474 0.000 1.383 220 G CA -1.221 43.599 45.100 -0.467 0.000 0.788 220 G HN 0.381 nan 8.290 nan 0.000 0.500 221 R N -0.755 119.539 120.500 -0.342 0.000 2.590 221 R HA 0.308 4.648 4.340 -0.000 0.000 0.274 221 R C -0.869 175.259 176.300 -0.288 0.000 1.061 221 R CA -0.338 55.619 56.100 -0.239 0.000 1.081 221 R CB 0.985 31.204 30.300 -0.135 0.000 0.984 221 R HN 0.244 nan 8.270 nan 0.000 0.448 222 L N 3.405 124.462 121.223 -0.276 0.000 2.445 222 L HA 0.228 4.568 4.340 -0.000 0.000 0.252 222 L C -0.629 175.919 176.870 -0.537 0.000 1.105 222 L CA -0.354 54.265 54.840 -0.369 0.000 0.943 222 L CB 0.841 42.666 42.059 -0.390 0.000 1.277 222 L HN 0.414 nan 8.230 nan 0.000 0.465 223 E N 2.598 122.604 120.200 -0.323 0.000 2.452 223 E HA -0.043 4.307 4.350 -0.000 0.000 0.261 223 E C 0.321 176.697 176.600 -0.373 0.000 0.987 223 E CA 0.581 56.834 56.400 -0.245 0.000 0.926 223 E CB 0.458 30.101 29.700 -0.094 0.000 0.934 223 E HN 0.549 nan 8.360 nan 0.000 0.452 224 F N 0.262 120.207 119.950 -0.009 0.000 2.754 224 F HA -0.040 4.487 4.527 -0.000 0.000 0.297 224 F C 1.625 177.415 175.800 -0.016 0.000 1.122 224 F CA -0.093 57.901 58.000 -0.011 0.000 1.400 224 F CB 0.351 39.347 39.000 -0.006 0.000 1.117 224 F HN 0.206 nan 8.300 nan 0.000 0.587 225 S N 1.863 117.628 115.700 0.107 0.000 2.525 225 S HA 0.027 4.497 4.470 -0.000 0.000 0.285 225 S C 0.029 174.639 174.600 0.016 0.000 1.283 225 S CA -0.885 57.349 58.200 0.056 0.000 1.072 225 S CB 0.069 63.284 63.200 0.026 0.000 0.867 225 S HN 0.378 nan 8.310 nan 0.000 0.492 226 E N 3.140 123.351 120.200 0.019 0.000 2.398 226 E HA 0.272 4.622 4.350 -0.000 0.000 0.263 226 E C 0.262 176.841 176.600 -0.036 0.000 1.046 226 E CA -0.658 55.739 56.400 -0.005 0.000 0.908 226 E CB 0.678 30.381 29.700 0.005 0.000 0.963 226 E HN 0.301 nan 8.360 nan 0.000 0.431 227 V N 1.015 120.895 119.914 -0.057 0.000 3.307 227 V HA 0.165 4.285 4.120 -0.000 0.000 0.244 227 V C 0.258 176.315 176.094 -0.062 0.000 1.196 227 V CA 0.857 63.108 62.300 -0.081 0.000 1.132 227 V CB -0.138 31.605 31.823 -0.132 0.000 0.875 227 V HN 0.863 nan 8.190 nan 0.000 0.468 228 S N -0.920 114.751 115.700 -0.049 0.000 2.578 228 S HA 0.694 5.164 4.470 -0.000 0.000 0.272 228 S C -1.461 173.124 174.600 -0.025 0.000 1.145 228 S CA -0.615 57.563 58.200 -0.037 0.000 0.835 228 S CB 2.257 65.431 63.200 -0.044 0.000 1.104 228 S HN 0.025 nan 8.310 nan 0.000 0.458 229 V N 1.624 121.527 119.914 -0.018 0.000 2.524 229 V HA 0.433 4.553 4.120 -0.000 0.000 0.297 229 V C -1.159 174.929 176.094 -0.010 0.000 1.035 229 V CA -0.741 61.553 62.300 -0.011 0.000 0.867 229 V CB 1.808 33.627 31.823 -0.006 0.000 1.004 229 V HN 0.979 nan 8.190 nan 0.000 0.426 230 D N 3.988 124.383 120.400 -0.008 0.000 2.508 230 D HA 0.111 4.751 4.640 -0.000 0.000 0.224 230 D C 1.163 177.461 176.300 -0.003 0.000 1.171 230 D CA 0.071 54.068 54.000 -0.006 0.000 1.006 230 D CB 0.997 41.794 40.800 -0.004 0.000 1.073 230 D HN 0.642 nan 8.370 nan 0.000 0.513 231 E N 0.853 121.051 120.200 -0.004 0.000 2.284 231 E HA -0.175 4.175 4.350 -0.000 0.000 0.200 231 E C 1.975 178.575 176.600 -0.001 0.000 1.008 231 E CA 0.712 57.111 56.400 -0.002 0.000 0.829 231 E CB 0.125 29.823 29.700 -0.003 0.000 0.744 231 E HN 0.441 nan 8.360 nan 0.000 0.491 232 G N -0.050 108.749 108.800 -0.001 0.000 2.650 232 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.214 232 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.214 232 G C 1.323 176.225 174.900 0.003 0.000 1.136 232 G CA 0.908 46.008 45.100 0.001 0.000 0.789 232 G HN 0.174 nan 8.290 nan 0.000 0.536 233 T N -1.246 113.310 114.554 0.003 0.000 2.954 233 T HA 0.364 4.714 4.350 -0.000 0.000 0.252 233 T C 1.922 176.625 174.700 0.006 0.000 0.983 233 T CA 0.849 62.952 62.100 0.005 0.000 0.941 233 T CB 0.653 69.525 68.868 0.006 0.000 1.141 233 T HN 0.806 nan 8.240 nan 0.000 0.500 234 G N 2.477 111.279 108.800 0.004 0.000 2.284 234 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.261 234 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.261 234 G C 0.498 175.402 174.900 0.006 0.000 0.997 234 G CA 0.445 45.548 45.100 0.005 0.000 0.621 234 G HN 0.971 nan 8.290 nan 0.000 0.534 235 S N -0.229 115.475 115.700 0.008 0.000 2.572 235 S HA 0.626 5.096 4.470 -0.000 0.000 0.279 235 S C 0.355 174.959 174.600 0.007 0.000 1.341 235 S CA -0.002 58.205 58.200 0.010 0.000 1.043 235 S CB 2.350 65.557 63.200 0.012 0.000 0.887 235 S HN 1.108 nan 8.310 nan 0.000 0.516 236 V N 1.662 121.583 119.914 0.011 0.000 2.975 236 V HA 0.634 4.754 4.120 -0.000 0.000 0.318 236 V C 0.259 176.354 176.094 0.002 0.000 1.077 236 V CA -0.775 61.529 62.300 0.007 0.000 1.000 236 V CB 2.009 33.843 31.823 0.019 0.000 1.066 236 V HN 1.036 nan 8.190 nan 0.000 0.452 237 T N 3.980 118.526 114.554 -0.013 0.000 2.847 237 T HA 0.642 4.992 4.350 -0.000 0.000 0.291 237 T C -0.447 174.224 174.700 -0.048 0.000 0.998 237 T CA -0.155 61.927 62.100 -0.030 0.000 0.967 237 T CB 0.637 69.478 68.868 -0.046 0.000 0.954 237 T HN 0.604 nan 8.240 nan 0.000 0.441 238 I N 0.359 120.899 120.570 -0.050 0.000 3.023 238 I HA 0.770 4.940 4.170 -0.000 0.000 0.312 238 I C -0.399 175.648 176.117 -0.115 0.000 1.056 238 I CA -1.522 59.729 61.300 -0.082 0.000 1.033 238 I CB 1.878 39.836 38.000 -0.071 0.000 1.233 238 I HN 0.248 nan 8.210 nan 0.000 0.462 239 R N 1.807 122.214 120.500 -0.155 0.000 2.562 239 R HA 0.766 5.106 4.340 -0.000 0.000 0.298 239 R C -0.877 175.383 176.300 -0.066 0.000 0.961 239 R CA -0.767 55.248 56.100 -0.143 0.000 0.881 239 R CB 2.168 32.259 30.300 -0.348 0.000 1.159 239 R HN 0.877 nan 8.270 nan 0.000 0.450 240 A N 2.236 125.079 122.820 0.038 0.000 2.295 240 A HA 0.608 4.928 4.320 -0.000 0.000 0.318 240 A C -0.591 177.082 177.584 0.149 0.000 1.134 240 A CA -0.577 51.469 52.037 0.016 0.000 0.827 240 A CB 1.263 20.340 19.000 0.129 0.000 1.136 240 A HN 0.441 nan 8.150 nan 0.000 0.493 241 V N 2.531 122.411 119.914 -0.057 0.000 2.357 241 V HA 0.362 4.482 4.120 -0.000 0.000 0.281 241 V C -1.204 174.790 176.094 -0.166 0.000 1.015 241 V CA -0.147 62.172 62.300 0.031 0.000 0.827 241 V CB 0.033 31.900 31.823 0.074 0.000 1.018 241 V HN 0.689 nan 8.190 nan 0.000 0.432 242 F N 5.019 124.945 119.950 -0.040 0.000 2.399 242 F HA 0.650 5.177 4.527 0.000 0.000 0.328 242 F C -2.122 173.641 175.800 -0.062 0.000 1.084 242 F CA -2.751 55.230 58.000 -0.031 0.000 1.053 242 F CB 1.217 40.184 39.000 -0.054 0.000 1.209 242 F HN 0.256 nan 8.300 nan 0.000 0.502 243 P HA 0.191 nan 4.420 nan 0.000 0.278 243 P C -0.776 176.626 177.300 0.171 0.000 1.238 243 P CA -0.231 62.926 63.100 0.094 0.000 0.794 243 P CB 0.630 32.381 31.700 0.085 0.000 0.955 244 N N 1.745 120.483 118.700 0.063 0.000 2.664 244 N HA 0.228 4.968 4.740 -0.000 0.000 0.287 244 N C -2.651 172.888 175.510 0.047 0.000 1.869 244 N CA -2.010 51.093 53.050 0.088 0.000 0.832 244 N CB 0.336 38.818 38.487 -0.008 0.000 1.293 244 N HN 0.164 nan 8.380 nan 0.000 0.498 245 P HA 0.277 nan 4.420 nan 0.000 0.286 245 P C -0.216 177.104 177.300 0.034 0.000 1.293 245 P CA 0.146 63.256 63.100 0.018 0.000 0.770 245 P CB 0.702 32.405 31.700 0.006 0.000 1.206 246 N N -1.694 117.017 118.700 0.018 0.000 2.922 246 N HA -0.256 4.484 4.740 -0.000 0.000 0.231 246 N C 0.488 176.015 175.510 0.029 0.000 0.889 246 N CA 1.374 54.438 53.050 0.022 0.000 1.027 246 N CB -2.270 36.233 38.487 0.027 0.000 1.059 246 N HN 0.706 nan 8.380 nan 0.000 0.613 247 N N 0.915 119.633 118.700 0.030 0.000 2.721 247 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 247 N C 0.339 175.866 175.510 0.029 0.000 1.072 247 N CA 1.392 54.454 53.050 0.020 0.000 0.710 247 N CB -0.573 37.919 38.487 0.008 0.000 0.993 247 N HN 0.648 nan 8.380 nan 0.000 0.547 248 E N -0.337 119.902 120.200 0.065 0.000 2.150 248 E HA -0.014 4.335 4.350 -0.000 0.000 0.193 248 E C 0.568 177.183 176.600 0.024 0.000 0.985 248 E CA 0.651 57.096 56.400 0.075 0.000 0.814 248 E CB 0.190 29.991 29.700 0.169 0.000 0.752 248 E HN 0.443 nan 8.360 nan 0.000 0.466 249 L N 1.859 123.064 121.223 -0.031 0.000 2.312 249 L HA 0.374 4.714 4.340 -0.000 0.000 0.281 249 L C -0.305 176.516 176.870 -0.082 0.000 1.070 249 L CA -0.370 54.393 54.840 -0.129 0.000 0.805 249 L CB 0.857 42.736 42.059 -0.301 0.000 1.174 249 L HN -0.005 nan 8.230 nan 0.000 0.434 250 L N 3.670 124.850 121.223 -0.072 0.000 2.371 250 L HA 0.556 4.896 4.340 -0.000 0.000 0.262 250 L C -2.414 174.428 176.870 -0.047 0.000 1.006 250 L CA -2.161 52.653 54.840 -0.043 0.000 0.818 250 L CB 2.364 44.411 42.059 -0.019 0.000 1.354 250 L HN 0.297 nan 8.230 nan 0.000 0.415 251 P HA 0.099 nan 4.420 nan 0.000 0.266 251 P C 0.642 177.916 177.300 -0.043 0.000 1.195 251 P CA 0.821 63.900 63.100 -0.035 0.000 0.768 251 P CB 0.672 32.363 31.700 -0.015 0.000 0.838 252 G N 1.452 110.201 108.800 -0.085 0.000 2.194 252 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.236 252 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.236 252 G C 0.174 175.010 174.900 -0.106 0.000 0.987 252 G CA -0.322 44.716 45.100 -0.103 0.000 0.635 252 G HN 0.443 nan 8.290 nan 0.000 0.520 253 M N 0.616 120.170 119.600 -0.077 0.000 2.228 253 M HA 0.479 4.959 4.480 -0.000 0.000 0.351 253 M C -0.297 175.956 176.300 -0.078 0.000 1.233 253 M CA 0.143 55.447 55.300 0.007 0.000 1.129 253 M CB 0.255 32.831 32.600 -0.039 0.000 1.604 253 M HN 0.039 nan 8.290 nan 0.000 0.457 254 F N 3.264 123.158 119.950 -0.094 0.000 2.368 254 F HA 0.388 4.915 4.527 0.000 0.000 0.362 254 F C 0.419 176.105 175.800 -0.190 0.000 1.137 254 F CA -0.777 57.145 58.000 -0.130 0.000 1.161 254 F CB -0.017 38.920 39.000 -0.106 0.000 1.265 254 F HN 0.311 nan 8.300 nan 0.000 0.530 255 V N 0.067 119.900 119.914 -0.136 0.000 3.352 255 V HA 0.647 4.767 4.120 -0.000 0.000 0.299 255 V C -0.745 175.125 176.094 -0.373 0.000 1.228 255 V CA -0.684 61.503 62.300 -0.188 0.000 1.017 255 V CB 2.181 33.903 31.823 -0.168 0.000 1.237 255 V HN 0.545 nan 8.190 nan 0.000 0.472 256 H N 0.169 119.242 119.070 0.004 0.000 2.934 256 H HA 0.737 5.293 4.556 -0.000 0.000 0.340 256 H C -0.247 175.112 175.328 0.053 0.000 1.008 256 H CA 0.233 56.302 56.048 0.034 0.000 1.317 256 H CB 1.616 31.402 29.762 0.041 0.000 1.670 256 H HN 1.151 nan 8.280 nan 0.000 0.516 257 A N 3.260 126.204 122.820 0.207 0.000 2.316 257 A HA 0.504 4.824 4.320 -0.000 0.000 0.284 257 A C -0.188 177.506 177.584 0.184 0.000 1.115 257 A CA -0.487 51.685 52.037 0.224 0.000 0.812 257 A CB 0.740 19.863 19.000 0.205 0.000 1.064 257 A HN 0.719 nan 8.150 nan 0.000 0.489 258 Q N 0.759 120.663 119.800 0.174 0.000 2.337 258 Q HA 0.671 5.011 4.340 -0.000 0.000 0.270 258 Q C -1.154 174.910 176.000 0.106 0.000 1.043 258 Q CA -0.293 55.584 55.803 0.124 0.000 0.794 258 Q CB 2.385 31.189 28.738 0.110 0.000 1.281 258 Q HN 0.703 nan 8.270 nan 0.000 0.446 259 L N 0.000 121.277 121.223 0.089 0.000 2.949 259 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 259 L CA 0.000 54.891 54.840 0.084 0.000 0.813 259 L CB 0.000 42.121 42.059 0.103 0.000 0.961 259 L HN 0.000 nan 8.230 nan 0.000 0.502