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 1eus_1_A DATA FIRST_RESID 47 DATA SEQUENCE GEPLYTEQDL AVNGREGFPN YRIPALTVTP DGDLLASYDG RPTGIDAPGP DATA SEQUENCE NSILQRRSTD GGRTWGEQQV VSAGQTTAPI KGFSDPSYLV DRETGTIFNF DATA SEQUENCE HVYSQRQGFA GSRPGTDPAD PNVLHANVAT STDGGLTWSH RTITADITPD DATA SEQUENCE PGWRSRFAAS GEGIQLRYGP HAGRLIQQYT IINAAGAFQA VSVYSDDHGR DATA SEQUENCE TWRAGEAVGV GMDENKTVEL SDGRVLLNSR DSARSGYRKV AVSTDGGHSY DATA SEQUENCE GPVTIDRDLP DPTNNASIIR AFPDAPAGSA RAKVLLFSNA ASQTSRSQGT DATA SEQUENCE IRMSCDDGQT WPVSKVFQPG SMSYSTLTAL PDGTYGLLYE PGTGIRYANF DATA SEQUENCE NLAWLGGI 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 47 G HA2 0.000 nan 3.960 nan 0.000 0.244 47 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 47 G C 0.000 174.960 174.900 0.100 0.000 0.946 47 G CA 0.000 45.153 45.100 0.089 0.000 0.502 48 E N 0.760 121.021 120.200 0.102 0.000 2.174 48 E HA 0.636 4.986 4.350 -0.001 0.000 0.282 48 E C -2.415 174.279 176.600 0.157 0.000 0.992 48 E CA -1.641 54.827 56.400 0.114 0.000 0.803 48 E CB 1.251 31.006 29.700 0.093 0.000 1.090 48 E HN 0.197 nan 8.360 nan 0.000 0.396 49 P HA 0.066 nan 4.420 nan 0.000 0.265 49 P C -1.297 176.177 177.300 0.290 0.000 1.193 49 P CA -0.050 63.234 63.100 0.307 0.000 0.765 49 P CB 0.405 32.301 31.700 0.328 0.000 0.823 50 L N 5.222 126.632 121.223 0.310 0.000 2.409 50 L HA 0.659 4.999 4.340 -0.001 0.000 0.272 50 L C -1.834 175.086 176.870 0.083 0.000 0.980 50 L CA -0.700 54.245 54.840 0.175 0.000 0.826 50 L CB 1.421 43.540 42.059 0.100 0.000 1.268 50 L HN 0.297 nan 8.230 nan 0.000 0.407 51 Y N 3.587 123.803 120.300 -0.140 0.000 2.298 51 Y HA 0.613 5.163 4.550 -0.001 0.000 0.322 51 Y C -1.100 174.700 175.900 -0.168 0.000 1.138 51 Y CA -0.249 57.635 58.100 -0.360 0.000 1.127 51 Y CB 1.698 39.654 38.460 -0.839 0.000 1.178 51 Y HN 0.744 nan 8.280 nan 0.000 0.428 52 T N 5.207 119.399 114.554 -0.602 0.000 2.896 52 T HA 0.697 5.046 4.350 -0.001 0.000 0.297 52 T C -1.720 172.712 174.700 -0.448 0.000 1.108 52 T CA -0.464 61.450 62.100 -0.310 0.000 1.004 52 T CB 1.509 70.302 68.868 -0.125 0.000 1.159 52 T HN 0.768 nan 8.240 nan 0.000 0.499 53 E N 1.989 122.083 120.200 -0.176 0.000 2.392 53 E HA 0.641 4.991 4.350 -0.001 0.000 0.279 53 E C -1.656 174.930 176.600 -0.022 0.000 0.964 53 E CA -1.060 55.264 56.400 -0.127 0.000 0.777 53 E CB 1.937 31.619 29.700 -0.030 0.000 1.249 53 E HN 0.715 nan 8.360 nan 0.000 0.449 54 Q N 1.136 120.924 119.800 -0.020 0.000 2.391 54 Q HA 0.404 4.744 4.340 -0.001 0.000 0.279 54 Q C -1.529 174.411 176.000 -0.100 0.000 1.028 54 Q CA -1.041 54.753 55.803 -0.015 0.000 0.836 54 Q CB 1.811 30.584 28.738 0.058 0.000 1.414 54 Q HN 0.414 nan 8.270 nan 0.000 0.397 55 D N 2.059 122.383 120.400 -0.128 0.000 2.345 55 D HA 0.196 4.835 4.640 -0.001 0.000 0.247 55 D C 0.491 176.625 176.300 -0.277 0.000 1.108 55 D CA -0.042 53.830 54.000 -0.213 0.000 0.894 55 D CB 1.560 42.257 40.800 -0.172 0.000 1.203 55 D HN 0.559 nan 8.370 nan 0.000 0.430 56 L N 0.328 121.303 121.223 -0.413 0.000 2.537 56 L HA 0.281 4.620 4.340 -0.001 0.000 0.224 56 L C 0.649 177.216 176.870 -0.505 0.000 1.065 56 L CA 0.250 54.786 54.840 -0.507 0.000 0.860 56 L CB 0.332 41.972 42.059 -0.699 0.000 1.086 56 L HN 0.320 nan 8.230 nan 0.000 0.482 57 A N 0.542 123.009 122.820 -0.588 0.000 2.488 57 A HA 0.575 4.894 4.320 -0.001 0.000 0.295 57 A C -1.276 176.051 177.584 -0.429 0.000 1.045 57 A CA -0.389 51.212 52.037 -0.726 0.000 0.703 57 A CB 1.893 20.058 19.000 -1.392 0.000 1.271 57 A HN -0.117 nan 8.150 nan 0.000 0.400 58 V N 1.648 121.446 119.914 -0.192 0.000 2.588 58 V HA 0.590 4.710 4.120 -0.001 0.000 0.304 58 V C -0.682 175.555 176.094 0.238 0.000 1.042 58 V CA -1.095 61.210 62.300 0.008 0.000 0.877 58 V CB 1.750 33.559 31.823 -0.024 0.000 0.996 58 V HN 0.779 nan 8.190 nan 0.000 0.425 59 N N 4.024 122.858 118.700 0.224 0.000 2.301 59 N HA 0.282 5.022 4.740 -0.001 0.000 0.267 59 N C 1.268 176.848 175.510 0.116 0.000 1.304 59 N CA 1.619 54.774 53.050 0.175 0.000 0.851 59 N CB 0.820 39.346 38.487 0.066 0.000 1.070 59 N HN 1.601 nan 8.380 nan 0.000 0.483 60 G N 1.758 110.614 108.800 0.093 0.000 2.234 60 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.235 60 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.235 60 G C 0.095 175.057 174.900 0.104 0.000 0.997 60 G CA -0.257 44.880 45.100 0.062 0.000 0.623 60 G HN 0.585 nan 8.290 nan 0.000 0.514 61 R N -0.006 120.612 120.500 0.196 0.000 2.668 61 R HA 0.623 4.962 4.340 -0.001 0.000 0.279 61 R C 0.574 177.039 176.300 0.275 0.000 0.976 61 R CA -0.345 55.859 56.100 0.173 0.000 0.978 61 R CB 1.055 31.424 30.300 0.114 0.000 1.133 61 R HN 0.115 nan 8.270 nan 0.000 0.484 62 E N -0.073 120.236 120.200 0.182 0.000 3.070 62 E HA -0.210 4.140 4.350 -0.001 0.000 0.285 62 E C 0.522 177.266 176.600 0.240 0.000 0.972 62 E CA 1.332 57.854 56.400 0.204 0.000 0.915 62 E CB -1.355 28.475 29.700 0.216 0.000 1.466 62 E HN 1.122 nan 8.360 nan 0.000 0.432 63 G N -2.398 106.469 108.800 0.112 0.000 2.218 63 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.216 63 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.216 63 G C -0.015 174.634 174.900 -0.418 0.000 0.994 63 G CA -0.173 44.849 45.100 -0.130 0.000 0.637 63 G HN 0.250 nan 8.290 nan 0.000 0.505 64 F N 0.722 120.620 119.950 -0.086 0.000 2.556 64 F HA 0.555 5.082 4.527 -0.001 0.000 0.314 64 F C -1.342 174.237 175.800 -0.368 0.000 1.106 64 F CA -1.767 56.045 58.000 -0.314 0.000 0.911 64 F CB 2.403 41.037 39.000 -0.610 0.000 1.190 64 F HN -0.177 nan 8.300 nan 0.000 0.448 65 P HA -0.070 nan 4.420 nan 0.000 0.225 65 P C -0.441 176.782 177.300 -0.128 0.000 1.156 65 P CA 1.055 64.103 63.100 -0.087 0.000 0.787 65 P CB 0.478 32.145 31.700 -0.056 0.000 0.802 66 N N -1.535 117.025 118.700 -0.233 0.000 2.308 66 N HA 0.358 5.098 4.740 -0.001 0.000 0.283 66 N C -1.964 173.328 175.510 -0.363 0.000 1.105 66 N CA -0.615 52.312 53.050 -0.205 0.000 0.840 66 N CB 1.180 39.605 38.487 -0.103 0.000 1.633 66 N HN -0.302 nan 8.380 nan 0.000 0.476 67 Y N 1.267 121.550 120.300 -0.029 0.000 2.425 67 Y HA 0.660 5.210 4.550 -0.001 0.000 0.344 67 Y C 0.281 176.128 175.900 -0.089 0.000 0.969 67 Y CA -0.624 57.443 58.100 -0.055 0.000 1.052 67 Y CB 1.978 40.378 38.460 -0.100 0.000 1.215 67 Y HN 0.305 nan 8.280 nan 0.000 0.451 68 R N 1.946 122.500 120.500 0.089 0.000 2.733 68 R HA 0.567 4.907 4.340 -0.001 0.000 0.272 68 R C -1.719 174.588 176.300 0.011 0.000 1.029 68 R CA -1.076 55.014 56.100 -0.017 0.000 0.888 68 R CB 2.211 32.448 30.300 -0.105 0.000 1.251 68 R HN 0.638 nan 8.270 nan 0.000 0.464 69 I N 0.198 120.741 120.570 -0.046 0.000 7.450 69 I HA -0.130 4.040 4.170 -0.001 0.000 0.126 69 I C -2.486 173.714 176.117 0.139 0.000 1.839 69 I CA -0.322 61.007 61.300 0.049 0.000 2.040 69 I CB -1.616 36.408 38.000 0.040 0.000 3.653 69 I HN 0.494 nan 8.210 nan 0.000 0.170 70 P HA 0.577 nan 4.420 nan 0.000 0.284 70 P C -0.558 176.844 177.300 0.171 0.000 1.253 70 P CA -0.169 63.032 63.100 0.169 0.000 0.800 70 P CB 2.270 34.057 31.700 0.145 0.000 0.961 71 A N 3.779 126.709 122.820 0.183 0.000 2.427 71 A HA 0.723 5.043 4.320 -0.001 0.000 0.298 71 A C -1.531 176.287 177.584 0.391 0.000 1.036 71 A CA -0.726 51.436 52.037 0.208 0.000 0.701 71 A CB 1.314 20.321 19.000 0.012 0.000 1.250 71 A HN 0.606 nan 8.150 nan 0.000 0.412 72 L N 1.354 122.835 121.223 0.431 0.000 2.434 72 L HA 0.894 5.234 4.340 -0.001 0.000 0.260 72 L C -0.665 176.355 176.870 0.249 0.000 0.983 72 L CA -0.161 54.892 54.840 0.355 0.000 0.820 72 L CB 2.497 44.719 42.059 0.271 0.000 1.361 72 L HN 0.938 nan 8.230 nan 0.000 0.410 73 T N 1.661 116.234 114.554 0.031 0.000 2.718 73 T HA 0.563 4.913 4.350 -0.001 0.000 0.306 73 T C -1.884 172.760 174.700 -0.094 0.000 1.485 73 T CA -0.257 61.807 62.100 -0.060 0.000 0.997 73 T CB 1.802 70.557 68.868 -0.189 0.000 1.504 73 T HN 0.271 nan 8.240 nan 0.000 0.497 74 V N 2.901 122.776 119.914 -0.065 0.000 2.487 74 V HA 0.592 4.711 4.120 -0.001 0.000 0.298 74 V C 0.808 176.856 176.094 -0.077 0.000 1.028 74 V CA -0.724 61.534 62.300 -0.070 0.000 0.860 74 V CB 1.566 33.364 31.823 -0.041 0.000 0.991 74 V HN 1.129 nan 8.190 nan 0.000 0.427 75 T N 2.452 116.948 114.554 -0.096 0.000 2.828 75 T HA 0.290 4.640 4.350 -0.001 0.000 0.290 75 T C -1.739 172.922 174.700 -0.065 0.000 1.019 75 T CA -1.439 60.608 62.100 -0.088 0.000 1.031 75 T CB 1.298 70.103 68.868 -0.105 0.000 1.001 75 T HN 0.423 nan 8.240 nan 0.000 0.531 76 P HA -0.016 nan 4.420 nan 0.000 0.220 76 P C 1.000 178.268 177.300 -0.053 0.000 1.148 76 P CA 0.779 63.853 63.100 -0.044 0.000 0.803 76 P CB 0.035 31.709 31.700 -0.043 0.000 0.782 77 D N -1.757 118.603 120.400 -0.067 0.000 2.348 77 D HA 0.007 4.646 4.640 -0.001 0.000 0.216 77 D C 1.620 177.875 176.300 -0.075 0.000 0.970 77 D CA 1.404 55.362 54.000 -0.070 0.000 0.889 77 D CB -0.199 40.553 40.800 -0.079 0.000 0.912 77 D HN 0.180 nan 8.370 nan 0.000 0.524 78 G N 1.126 109.879 108.800 -0.079 0.000 2.176 78 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.232 78 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.232 78 G C -0.174 174.657 174.900 -0.116 0.000 0.986 78 G CA -0.219 44.829 45.100 -0.087 0.000 0.643 78 G HN 0.180 nan 8.290 nan 0.000 0.522 79 D N 0.330 120.656 120.400 -0.124 0.000 2.382 79 D HA 0.498 5.137 4.640 -0.001 0.000 0.245 79 D C 0.529 176.731 176.300 -0.163 0.000 1.120 79 D CA -0.048 53.857 54.000 -0.159 0.000 0.890 79 D CB 1.198 41.915 40.800 -0.138 0.000 1.201 79 D HN 0.102 nan 8.370 nan 0.000 0.433 80 L N 2.093 123.178 121.223 -0.230 0.000 2.292 80 L HA 0.354 4.694 4.340 -0.001 0.000 0.284 80 L C -0.185 176.654 176.870 -0.052 0.000 1.065 80 L CA -0.154 54.584 54.840 -0.169 0.000 0.806 80 L CB 0.781 42.672 42.059 -0.280 0.000 1.175 80 L HN 0.168 nan 8.230 nan 0.000 0.431 81 L N 3.474 124.700 121.223 0.005 0.000 2.333 81 L HA 0.799 5.139 4.340 -0.001 0.000 0.280 81 L C -0.246 176.762 176.870 0.230 0.000 1.004 81 L CA -0.636 54.252 54.840 0.079 0.000 0.820 81 L CB 1.767 43.711 42.059 -0.192 0.000 1.247 81 L HN 0.699 nan 8.230 nan 0.000 0.416 82 A N 2.427 125.471 122.820 0.373 0.000 2.318 82 A HA 0.743 5.063 4.320 -0.001 0.000 0.317 82 A C -0.572 177.222 177.584 0.350 0.000 1.159 82 A CA -0.388 51.842 52.037 0.323 0.000 0.799 82 A CB 1.772 20.781 19.000 0.015 0.000 1.194 82 A HN 0.551 nan 8.150 nan 0.000 0.479 83 S N 1.095 117.002 115.700 0.346 0.000 2.568 83 S HA 0.942 5.412 4.470 -0.001 0.000 0.293 83 S C -1.150 173.494 174.600 0.072 0.000 1.089 83 S CA -0.402 57.798 58.200 -0.001 0.000 0.945 83 S CB 0.910 63.955 63.200 -0.259 0.000 1.077 83 S HN 1.301 nan 8.310 nan 0.000 0.485 84 Y N -0.505 119.736 120.300 -0.099 0.000 2.779 84 Y HA 0.559 5.108 4.550 -0.001 0.000 0.340 84 Y C -1.439 174.392 175.900 -0.116 0.000 1.252 84 Y CA -1.402 56.645 58.100 -0.088 0.000 1.072 84 Y CB -0.114 38.300 38.460 -0.076 0.000 1.343 84 Y HN 0.367 nan 8.280 nan 0.000 0.450 85 D N 0.400 120.847 120.400 0.078 0.000 2.302 85 D HA 0.508 5.148 4.640 -0.001 0.000 0.248 85 D C -0.169 176.102 176.300 -0.049 0.000 1.094 85 D CA 0.390 54.358 54.000 -0.054 0.000 0.897 85 D CB 1.591 42.362 40.800 -0.048 0.000 1.200 85 D HN 0.967 nan 8.370 nan 0.000 0.429 86 G N 1.608 110.179 108.800 -0.383 0.000 2.437 86 G HA2 0.500 4.459 3.960 -0.001 0.000 0.315 86 G HA3 0.500 4.459 3.960 -0.001 0.000 0.315 86 G C -0.459 174.102 174.900 -0.564 0.000 1.210 86 G CA -0.760 43.764 45.100 -0.960 0.000 0.943 86 G HN 0.269 nan 8.290 nan 0.000 0.471 87 R N 3.691 124.021 120.500 -0.284 0.000 2.310 87 R HA 0.237 4.577 4.340 -0.001 0.000 0.316 87 R C -2.055 174.278 176.300 0.055 0.000 1.004 87 R CA -1.609 54.450 56.100 -0.069 0.000 0.900 87 R CB 2.543 32.789 30.300 -0.089 0.000 1.152 87 R HN 0.295 nan 8.270 nan 0.000 0.513 88 P HA -0.162 nan 4.420 nan 0.000 0.216 88 P C 0.937 178.249 177.300 0.019 0.000 1.150 88 P CA 1.391 64.549 63.100 0.097 0.000 0.837 88 P CB 0.359 32.112 31.700 0.089 0.000 0.786 89 T N -6.135 108.422 114.554 0.005 0.000 3.174 89 T HA 0.427 4.776 4.350 -0.001 0.000 0.269 89 T C 1.235 175.920 174.700 -0.026 0.000 1.017 89 T CA 0.076 62.168 62.100 -0.014 0.000 0.899 89 T CB -0.736 68.124 68.868 -0.014 0.000 1.077 89 T HN 0.198 nan 8.240 nan 0.000 0.552 90 G N 1.335 110.115 108.800 -0.033 0.000 2.341 90 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.292 90 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.292 90 G C -0.145 174.725 174.900 -0.050 0.000 1.021 90 G CA 0.731 45.802 45.100 -0.048 0.000 0.905 90 G HN 0.719 nan 8.290 nan 0.000 0.508 91 I N -1.028 119.512 120.570 -0.050 0.000 3.145 91 I HA 0.414 4.584 4.170 -0.001 0.000 0.313 91 I C -0.157 175.920 176.117 -0.065 0.000 1.122 91 I CA -1.232 60.036 61.300 -0.054 0.000 0.987 91 I CB 1.508 39.483 38.000 -0.042 0.000 1.236 91 I HN 0.002 nan 8.210 nan 0.000 0.453 92 D N 2.181 122.537 120.400 -0.073 0.000 2.414 92 D HA 0.308 4.948 4.640 -0.001 0.000 0.251 92 D C -0.130 176.119 176.300 -0.085 0.000 1.252 92 D CA -0.130 53.815 54.000 -0.091 0.000 0.999 92 D CB 0.667 41.402 40.800 -0.108 0.000 1.093 92 D HN 0.577 nan 8.370 nan 0.000 0.515 93 A N 1.305 124.064 122.820 -0.103 0.000 2.561 93 A HA 0.132 4.452 4.320 -0.001 0.000 0.234 93 A C -1.437 176.098 177.584 -0.081 0.000 1.055 93 A CA -0.617 51.363 52.037 -0.096 0.000 0.756 93 A CB -0.145 18.789 19.000 -0.110 0.000 0.986 93 A HN 0.372 nan 8.150 nan 0.000 0.505 94 P HA 0.064 nan 4.420 nan 0.000 0.258 94 P C 0.698 177.957 177.300 -0.068 0.000 1.403 94 P CA 0.451 63.502 63.100 -0.082 0.000 0.826 94 P CB -0.555 31.098 31.700 -0.079 0.000 1.414 95 G N 2.908 111.673 108.800 -0.058 0.000 2.484 95 G HA2 0.089 4.049 3.960 -0.001 0.000 0.235 95 G HA3 0.089 4.049 3.960 -0.001 0.000 0.235 95 G C -1.939 172.940 174.900 -0.034 0.000 1.282 95 G CA -0.867 44.209 45.100 -0.041 0.000 0.857 95 G HN 0.122 nan 8.290 nan 0.000 0.571 96 P HA 0.056 nan 4.420 nan 0.000 0.226 96 P C -0.472 176.860 177.300 0.054 0.000 1.783 96 P CA -0.403 62.708 63.100 0.018 0.000 0.980 96 P CB -0.020 31.700 31.700 0.032 0.000 1.967 97 N N 0.446 119.161 118.700 0.024 0.000 2.445 97 N HA 0.239 4.979 4.740 -0.001 0.000 0.264 97 N C 0.221 175.770 175.510 0.065 0.000 1.227 97 N CA 0.007 53.067 53.050 0.017 0.000 0.963 97 N CB 0.521 38.986 38.487 -0.037 0.000 1.188 97 N HN 0.099 nan 8.380 nan 0.000 0.491 98 S N 0.339 116.013 115.700 -0.044 0.000 2.536 98 S HA 0.516 4.986 4.470 -0.001 0.000 0.298 98 S C -0.315 174.148 174.600 -0.229 0.000 1.083 98 S CA -0.706 57.446 58.200 -0.081 0.000 0.995 98 S CB 1.241 64.402 63.200 -0.065 0.000 1.058 98 S HN 0.264 nan 8.310 nan 0.000 0.488 99 I N 3.460 123.856 120.570 -0.289 0.000 2.325 99 I HA 0.368 4.538 4.170 -0.001 0.000 0.291 99 I C -0.261 175.607 176.117 -0.415 0.000 1.019 99 I CA -0.178 60.885 61.300 -0.396 0.000 1.302 99 I CB 0.220 37.877 38.000 -0.571 0.000 1.401 99 I HN 0.466 nan 8.210 nan 0.000 0.485 100 L N 5.844 126.760 121.223 -0.512 0.000 2.313 100 L HA 0.617 4.957 4.340 -0.001 0.000 0.268 100 L C -0.153 176.357 176.870 -0.600 0.000 1.010 100 L CA -0.724 53.783 54.840 -0.555 0.000 0.814 100 L CB 1.858 43.507 42.059 -0.684 0.000 1.304 100 L HN 0.527 nan 8.230 nan 0.000 0.441 101 Q N 1.353 120.939 119.800 -0.356 0.000 2.340 101 Q HA 0.494 4.834 4.340 -0.001 0.000 0.276 101 Q C -1.723 174.288 176.000 0.018 0.000 1.048 101 Q CA -0.841 54.883 55.803 -0.131 0.000 0.832 101 Q CB 2.688 31.457 28.738 0.052 0.000 1.373 101 Q HN 0.549 nan 8.270 nan 0.000 0.409 102 R N 2.234 122.826 120.500 0.152 0.000 2.686 102 R HA 0.537 4.877 4.340 -0.001 0.000 0.286 102 R C -1.026 175.509 176.300 0.392 0.000 0.969 102 R CA -0.779 55.477 56.100 0.259 0.000 0.898 102 R CB 2.478 32.935 30.300 0.262 0.000 1.183 102 R HN 0.663 nan 8.270 nan 0.000 0.456 103 R N 0.606 121.300 120.500 0.323 0.000 2.670 103 R HA 0.382 4.722 4.340 -0.001 0.000 0.289 103 R C -1.158 175.087 176.300 -0.093 0.000 0.965 103 R CA -0.262 55.930 56.100 0.153 0.000 0.899 103 R CB 1.996 32.329 30.300 0.055 0.000 1.173 103 R HN 0.563 nan 8.270 nan 0.000 0.456 104 S N 1.223 116.609 115.700 -0.523 0.000 2.519 104 S HA 0.231 4.701 4.470 -0.001 0.000 0.309 104 S C 0.344 174.642 174.600 -0.502 0.000 1.100 104 S CA -0.559 57.119 58.200 -0.871 0.000 1.059 104 S CB 1.455 63.520 63.200 -1.892 0.000 1.008 104 S HN 0.722 nan 8.310 nan 0.000 0.478 105 T N 0.089 114.428 114.554 -0.358 0.000 3.092 105 T HA 0.215 4.564 4.350 -0.001 0.000 0.258 105 T C 0.048 174.616 174.700 -0.220 0.000 1.031 105 T CA -0.045 61.912 62.100 -0.239 0.000 0.925 105 T CB -0.239 68.532 68.868 -0.162 0.000 1.036 105 T HN 0.631 nan 8.240 nan 0.000 0.544 106 D N 0.301 120.536 120.400 -0.275 0.000 2.804 106 D HA 0.332 4.971 4.640 -0.001 0.000 0.308 106 D C 1.247 177.416 176.300 -0.218 0.000 1.371 106 D CA -0.407 53.468 54.000 -0.208 0.000 0.823 106 D CB -0.272 40.426 40.800 -0.169 0.000 1.126 106 D HN 0.337 nan 8.370 nan 0.000 0.467 107 G N -0.335 108.314 108.800 -0.252 0.000 2.143 107 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.248 107 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.248 107 G C 1.140 175.905 174.900 -0.225 0.000 0.991 107 G CA 0.401 45.377 45.100 -0.208 0.000 0.689 107 G HN 1.501 nan 8.290 nan 0.000 0.522 108 G N -1.463 107.057 108.800 -0.465 0.000 2.179 108 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.220 108 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.220 108 G C 1.009 175.796 174.900 -0.188 0.000 0.990 108 G CA 1.049 45.853 45.100 -0.492 0.000 0.646 108 G HN 0.838 nan 8.290 nan 0.000 0.517 109 R N -0.133 120.248 120.500 -0.199 0.000 2.062 109 R HA 0.128 4.467 4.340 -0.001 0.000 0.229 109 R C 0.573 176.842 176.300 -0.052 0.000 1.128 109 R CA 1.731 57.798 56.100 -0.055 0.000 0.960 109 R CB -0.021 30.240 30.300 -0.065 0.000 0.855 109 R HN 0.372 nan 8.270 nan 0.000 0.432 110 T N -0.475 113.944 114.554 -0.225 0.000 2.863 110 T HA 0.335 4.685 4.350 -0.001 0.000 0.285 110 T C -1.495 172.994 174.700 -0.351 0.000 1.009 110 T CA -0.448 61.572 62.100 -0.134 0.000 0.989 110 T CB 1.446 70.258 68.868 -0.093 0.000 1.004 110 T HN 0.109 nan 8.240 nan 0.000 0.455 111 W N 1.083 122.350 121.300 -0.054 0.000 2.702 111 W HA 0.634 5.294 4.660 -0.001 0.000 0.331 111 W C 0.700 177.199 176.519 -0.032 0.000 1.049 111 W CA -0.710 56.600 57.345 -0.059 0.000 1.230 111 W CB 1.184 30.603 29.460 -0.069 0.000 1.408 111 W HN 0.917 nan 8.180 nan 0.000 0.492 112 G N 1.114 110.016 108.800 0.169 0.000 2.588 112 G HA2 0.171 4.130 3.960 -0.001 0.000 0.278 112 G HA3 0.171 4.130 3.960 -0.001 0.000 0.278 112 G C -0.283 174.699 174.900 0.136 0.000 1.307 112 G CA -0.528 44.637 45.100 0.110 0.000 1.016 112 G HN 0.372 nan 8.290 nan 0.000 0.503 113 E N -0.419 119.838 120.200 0.095 0.000 2.390 113 E HA 0.051 4.401 4.350 -0.001 0.000 0.261 113 E C 0.235 176.895 176.600 0.100 0.000 1.076 113 E CA -0.090 56.365 56.400 0.092 0.000 0.905 113 E CB 0.904 30.646 29.700 0.070 0.000 0.984 113 E HN 0.451 nan 8.360 nan 0.000 0.427 114 Q N 2.361 122.220 119.800 0.099 0.000 2.271 114 Q HA -0.021 4.318 4.340 -0.001 0.000 0.273 114 Q C -0.720 175.326 176.000 0.076 0.000 1.051 114 Q CA 0.077 55.935 55.803 0.092 0.000 0.901 114 Q CB 0.423 29.237 28.738 0.126 0.000 1.174 114 Q HN 0.215 nan 8.270 nan 0.000 0.385 115 Q N 2.180 122.008 119.800 0.046 0.000 2.351 115 Q HA 0.470 4.809 4.340 -0.001 0.000 0.273 115 Q C -1.035 174.964 176.000 -0.002 0.000 1.077 115 Q CA -0.824 55.008 55.803 0.048 0.000 0.843 115 Q CB 2.128 30.911 28.738 0.075 0.000 1.367 115 Q HN 0.462 nan 8.270 nan 0.000 0.449 116 V N 1.712 121.629 119.914 0.005 0.000 2.407 116 V HA 0.165 4.284 4.120 -0.001 0.000 0.278 116 V C 1.089 177.127 176.094 -0.095 0.000 1.037 116 V CA -0.235 62.031 62.300 -0.057 0.000 0.900 116 V CB 1.212 33.023 31.823 -0.020 0.000 0.983 116 V HN 0.655 nan 8.190 nan 0.000 0.459 117 V N 3.065 122.840 119.914 -0.233 0.000 2.374 117 V HA 0.067 4.187 4.120 -0.001 0.000 0.241 117 V C 0.839 176.746 176.094 -0.312 0.000 1.034 117 V CA 1.101 63.180 62.300 -0.368 0.000 1.037 117 V CB 0.289 31.694 31.823 -0.698 0.000 0.682 117 V HN 0.811 nan 8.190 nan 0.000 0.463 118 S N 0.145 115.571 115.700 -0.456 0.000 2.647 118 S HA 0.757 5.227 4.470 -0.001 0.000 0.300 118 S C -0.344 173.937 174.600 -0.531 0.000 1.129 118 S CA -0.378 57.400 58.200 -0.703 0.000 1.029 118 S CB 1.593 64.151 63.200 -1.070 0.000 1.007 118 S HN 0.494 nan 8.310 nan 0.000 0.484 119 A N 2.701 125.260 122.820 -0.436 0.000 2.289 119 A HA 0.753 5.073 4.320 -0.001 0.000 0.298 119 A C 0.744 178.364 177.584 0.060 0.000 1.208 119 A CA -0.451 51.504 52.037 -0.137 0.000 0.845 119 A CB 0.125 19.081 19.000 -0.074 0.000 1.125 119 A HN 0.858 nan 8.150 nan 0.000 0.517 120 G N 0.540 109.473 108.800 0.222 0.000 2.634 120 G HA2 0.458 4.418 3.960 -0.001 0.000 0.255 120 G HA3 0.458 4.418 3.960 -0.001 0.000 0.255 120 G C -0.184 174.828 174.900 0.187 0.000 1.205 120 G CA -0.295 44.993 45.100 0.312 0.000 0.884 120 G HN 0.813 nan 8.290 nan 0.000 0.549 121 Q N -0.960 118.933 119.800 0.155 0.000 2.339 121 Q HA 0.298 4.638 4.340 -0.001 0.000 0.268 121 Q C 1.013 177.052 176.000 0.066 0.000 1.027 121 Q CA -0.435 55.427 55.803 0.099 0.000 0.759 121 Q CB 1.091 29.890 28.738 0.101 0.000 1.244 121 Q HN 0.635 nan 8.270 nan 0.000 0.464 122 T N -1.132 113.451 114.554 0.048 0.000 3.067 122 T HA 0.012 4.362 4.350 -0.001 0.000 0.261 122 T C 0.840 175.550 174.700 0.017 0.000 1.110 122 T CA 0.652 62.769 62.100 0.029 0.000 1.113 122 T CB -0.169 68.710 68.868 0.019 0.000 0.917 122 T HN 0.592 nan 8.240 nan 0.000 0.499 123 T N 0.621 115.187 114.554 0.020 0.000 2.907 123 T HA 0.745 5.094 4.350 -0.001 0.000 0.284 123 T C 0.140 174.851 174.700 0.018 0.000 1.004 123 T CA -0.778 61.330 62.100 0.014 0.000 1.063 123 T CB 1.464 70.339 68.868 0.012 0.000 0.992 123 T HN 0.382 nan 8.240 nan 0.000 0.483 124 A N 4.045 126.872 122.820 0.012 0.000 2.488 124 A HA 0.491 4.811 4.320 -0.001 0.000 0.249 124 A C -1.439 176.157 177.584 0.019 0.000 1.083 124 A CA -1.296 50.748 52.037 0.013 0.000 0.768 124 A CB -0.705 18.299 19.000 0.007 0.000 1.017 124 A HN 0.823 nan 8.150 nan 0.000 0.496 125 P HA 0.184 nan 4.420 nan 0.000 0.269 125 P C -0.520 176.802 177.300 0.037 0.000 1.252 125 P CA 0.175 63.293 63.100 0.029 0.000 0.780 125 P CB 0.184 31.908 31.700 0.040 0.000 0.829 126 I N 4.046 124.628 120.570 0.021 0.000 2.618 126 I HA 0.036 4.206 4.170 -0.001 0.000 0.284 126 I C 1.044 177.173 176.117 0.019 0.000 1.146 126 I CA 0.597 61.909 61.300 0.019 0.000 1.425 126 I CB 0.195 38.194 38.000 -0.001 0.000 1.383 126 I HN 0.222 nan 8.210 nan 0.000 0.562 127 K N 4.351 124.776 120.400 0.042 0.000 2.464 127 K HA 0.729 5.049 4.320 -0.001 0.000 0.253 127 K C -0.514 176.054 176.600 -0.054 0.000 0.933 127 K CA -0.807 55.497 56.287 0.028 0.000 0.801 127 K CB 2.395 35.016 32.500 0.202 0.000 1.271 127 K HN 0.718 nan 8.250 nan 0.000 0.430 128 G N 1.416 110.054 108.800 -0.270 0.000 2.612 128 G HA2 0.746 4.706 3.960 -0.001 0.000 0.298 128 G HA3 0.746 4.706 3.960 -0.001 0.000 0.298 128 G C -1.618 172.939 174.900 -0.572 0.000 1.336 128 G CA -0.555 44.400 45.100 -0.242 0.000 0.953 128 G HN 0.337 nan 8.290 nan 0.000 0.482 129 F N 0.830 120.794 119.950 0.024 0.000 2.539 129 F HA 0.675 5.202 4.527 -0.001 0.000 0.328 129 F C 0.393 176.137 175.800 -0.092 0.000 1.148 129 F CA -0.558 57.432 58.000 -0.016 0.000 0.940 129 F CB 2.634 41.533 39.000 -0.168 0.000 1.194 129 F HN 0.408 nan 8.300 nan 0.000 0.438 130 S N 0.478 116.229 115.700 0.085 0.000 2.697 130 S HA 0.515 4.985 4.470 -0.001 0.000 0.289 130 S C -1.604 173.040 174.600 0.073 0.000 1.149 130 S CA -1.043 57.171 58.200 0.024 0.000 0.850 130 S CB 1.756 64.943 63.200 -0.021 0.000 1.151 130 S HN 0.632 nan 8.310 nan 0.000 0.491 131 D N 1.810 122.236 120.400 0.042 0.000 3.278 131 D HA -0.091 4.549 4.640 -0.001 0.000 0.233 131 D C -2.580 173.773 176.300 0.087 0.000 1.149 131 D CA 0.568 54.620 54.000 0.087 0.000 0.957 131 D CB -0.690 40.196 40.800 0.143 0.000 0.913 131 D HN 0.144 nan 8.370 nan 0.000 0.409 132 P HA 0.271 nan 4.420 nan 0.000 0.278 132 P C -0.627 176.649 177.300 -0.041 0.000 1.238 132 P CA -0.417 62.667 63.100 -0.026 0.000 0.794 132 P CB 1.892 33.484 31.700 -0.181 0.000 0.955 133 S N 2.058 117.738 115.700 -0.032 0.000 2.619 133 S HA 0.488 4.958 4.470 -0.001 0.000 0.280 133 S C -1.264 173.402 174.600 0.110 0.000 1.150 133 S CA -0.492 57.720 58.200 0.020 0.000 0.978 133 S CB 0.196 63.385 63.200 -0.017 0.000 1.041 133 S HN 0.182 nan 8.310 nan 0.000 0.485 134 Y N 2.982 123.406 120.300 0.205 0.000 2.307 134 Y HA 0.754 5.303 4.550 -0.001 0.000 0.324 134 Y C -0.005 176.080 175.900 0.308 0.000 1.238 134 Y CA -0.819 57.438 58.100 0.262 0.000 1.280 134 Y CB 1.301 39.891 38.460 0.216 0.000 1.248 134 Y HN 0.567 nan 8.280 nan 0.000 0.508 135 L N 2.399 123.992 121.223 0.616 0.000 2.614 135 L HA 0.553 4.893 4.340 -0.001 0.000 0.264 135 L C -1.907 175.307 176.870 0.574 0.000 0.940 135 L CA -0.719 54.451 54.840 0.550 0.000 0.903 135 L CB 1.468 43.906 42.059 0.631 0.000 1.306 135 L HN 0.321 nan 8.230 nan 0.000 0.410 136 V N 3.998 124.148 119.914 0.393 0.000 2.417 136 V HA 0.437 4.557 4.120 -0.001 0.000 0.291 136 V C -0.481 175.800 176.094 0.311 0.000 1.024 136 V CA -0.620 61.855 62.300 0.292 0.000 0.861 136 V CB 1.675 33.587 31.823 0.148 0.000 0.985 136 V HN 0.757 nan 8.190 nan 0.000 0.436 137 D N 4.663 125.262 120.400 0.331 0.000 2.411 137 D HA 0.184 4.824 4.640 -0.001 0.000 0.225 137 D C 1.133 177.539 176.300 0.176 0.000 1.156 137 D CA -0.422 53.770 54.000 0.319 0.000 0.874 137 D CB 0.900 41.952 40.800 0.420 0.000 1.034 137 D HN 0.332 nan 8.370 nan 0.000 0.502 138 R N 2.781 123.368 120.500 0.146 0.000 2.235 138 R HA -0.049 4.290 4.340 -0.001 0.000 0.213 138 R C 1.327 177.665 176.300 0.063 0.000 1.059 138 R CA 0.586 56.737 56.100 0.086 0.000 0.997 138 R CB 0.170 30.517 30.300 0.078 0.000 0.884 138 R HN 0.620 nan 8.270 nan 0.000 0.462 139 E N -0.056 120.194 120.200 0.085 0.000 2.051 139 E HA -0.089 4.261 4.350 -0.001 0.000 0.189 139 E C 1.684 178.260 176.600 -0.041 0.000 0.979 139 E CA 1.745 58.165 56.400 0.034 0.000 0.803 139 E CB 0.032 29.777 29.700 0.074 0.000 0.761 139 E HN 0.384 nan 8.360 nan 0.000 0.451 140 T N -3.261 111.262 114.554 -0.051 0.000 3.057 140 T HA 0.250 4.600 4.350 -0.001 0.000 0.254 140 T C 1.573 176.242 174.700 -0.052 0.000 1.094 140 T CA 0.468 62.513 62.100 -0.092 0.000 1.088 140 T CB 0.710 69.509 68.868 -0.115 0.000 0.934 140 T HN 0.302 nan 8.240 nan 0.000 0.497 141 G N 1.199 109.987 108.800 -0.020 0.000 2.157 141 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.248 141 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.248 141 G C 0.137 174.988 174.900 -0.082 0.000 0.979 141 G CA 0.157 45.232 45.100 -0.042 0.000 0.650 141 G HN 0.730 nan 8.290 nan 0.000 0.529 142 T N 1.107 115.611 114.554 -0.084 0.000 2.869 142 T HA 0.601 4.950 4.350 -0.001 0.000 0.295 142 T C 0.628 175.141 174.700 -0.312 0.000 0.987 142 T CA 0.173 62.129 62.100 -0.239 0.000 1.109 142 T CB 1.626 70.330 68.868 -0.273 0.000 0.932 142 T HN 0.329 nan 8.240 nan 0.000 0.518 143 I N 2.829 123.146 120.570 -0.421 0.000 2.441 143 I HA 0.504 4.674 4.170 -0.001 0.000 0.295 143 I C -0.841 175.112 176.117 -0.273 0.000 0.994 143 I CA -0.815 60.365 61.300 -0.200 0.000 1.144 143 I CB 1.326 39.286 38.000 -0.067 0.000 1.314 143 I HN 0.496 nan 8.210 nan 0.000 0.445 144 F N 3.245 123.415 119.950 0.367 0.000 2.546 144 F HA 0.423 4.950 4.527 -0.001 0.000 0.320 144 F C 0.024 176.005 175.800 0.302 0.000 1.076 144 F CA -0.787 57.376 58.000 0.272 0.000 0.928 144 F CB 1.648 40.692 39.000 0.073 0.000 1.189 144 F HN 0.363 nan 8.300 nan 0.000 0.465 145 N N 1.634 120.464 118.700 0.216 0.000 2.576 145 N HA 0.444 5.184 4.740 -0.001 0.000 0.269 145 N C -1.684 173.750 175.510 -0.127 0.000 1.058 145 N CA -0.314 52.733 53.050 -0.007 0.000 0.860 145 N CB 0.672 38.944 38.487 -0.358 0.000 1.249 145 N HN 0.336 nan 8.380 nan 0.000 0.525 146 F N 2.557 122.447 119.950 -0.100 0.000 2.375 146 F HA 0.413 4.939 4.527 -0.000 0.000 0.333 146 F C 0.718 176.407 175.800 -0.184 0.000 1.104 146 F CA 0.307 58.167 58.000 -0.233 0.000 1.149 146 F CB 0.839 39.700 39.000 -0.230 0.000 1.190 146 F HN 0.578 nan 8.300 nan 0.000 0.533 147 H N -1.665 117.499 119.070 0.156 0.000 2.950 147 H HA 0.519 5.074 4.556 -0.001 0.000 0.307 147 H C -1.656 173.787 175.328 0.192 0.000 1.403 147 H CA -1.321 54.799 56.048 0.120 0.000 1.145 147 H CB 0.039 29.843 29.762 0.070 0.000 1.844 147 H HN 0.331 nan 8.280 nan 0.000 0.515 148 V N 1.274 121.384 119.914 0.326 0.000 2.811 148 V HA 0.088 4.207 4.120 -0.001 0.000 0.302 148 V C -0.807 175.488 176.094 0.335 0.000 1.063 148 V CA 0.064 62.521 62.300 0.261 0.000 1.088 148 V CB 0.587 32.488 31.823 0.130 0.000 0.982 148 V HN 0.752 nan 8.190 nan 0.000 0.485 149 Y N 4.910 125.259 120.300 0.082 0.000 2.426 149 Y HA 0.576 5.125 4.550 -0.001 0.000 0.325 149 Y C 0.003 175.826 175.900 -0.128 0.000 0.989 149 Y CA -1.382 56.632 58.100 -0.143 0.000 1.284 149 Y CB 1.164 39.667 38.460 0.071 0.000 1.104 149 Y HN 0.652 nan 8.280 nan 0.000 0.481 150 S N 4.388 119.888 115.700 -0.334 0.000 2.638 150 S HA 0.685 5.155 4.470 -0.001 0.000 0.298 150 S C -0.219 174.127 174.600 -0.423 0.000 1.111 150 S CA -0.505 57.484 58.200 -0.352 0.000 1.027 150 S CB 3.009 66.091 63.200 -0.197 0.000 1.064 150 S HN 0.810 nan 8.310 nan 0.000 0.525 151 Q N 0.351 119.959 119.800 -0.321 0.000 2.061 151 Q HA 0.359 4.699 4.340 -0.001 0.000 0.159 151 Q C 1.786 177.708 176.000 -0.129 0.000 0.530 151 Q CA -0.514 55.158 55.803 -0.218 0.000 0.728 151 Q CB 0.223 28.830 28.738 -0.218 0.000 1.004 151 Q HN 0.694 nan 8.270 nan 0.000 0.426 152 R N -0.145 120.289 120.500 -0.110 0.000 2.189 152 R HA 0.179 4.518 4.340 -0.001 0.000 0.203 152 R C 0.273 176.525 176.300 -0.079 0.000 1.012 152 R CA 0.453 56.507 56.100 -0.077 0.000 1.015 152 R CB 0.587 30.852 30.300 -0.059 0.000 0.938 152 R HN 0.223 nan 8.270 nan 0.000 0.472 153 Q N -0.397 119.344 119.800 -0.099 0.000 2.348 153 Q HA 0.434 4.773 4.340 -0.001 0.000 0.271 153 Q C -0.055 175.891 176.000 -0.091 0.000 1.067 153 Q CA -0.452 55.298 55.803 -0.089 0.000 0.839 153 Q CB 2.141 30.824 28.738 -0.091 0.000 1.354 153 Q HN 0.156 nan 8.270 nan 0.000 0.447 154 G N -0.224 108.534 108.800 -0.070 0.000 2.736 154 G HA2 0.272 4.231 3.960 -0.001 0.000 0.229 154 G HA3 0.272 4.231 3.960 -0.001 0.000 0.229 154 G C 0.077 174.968 174.900 -0.016 0.000 1.380 154 G CA -0.343 44.725 45.100 -0.053 0.000 1.040 154 G HN 0.508 nan 8.290 nan 0.000 0.568 155 F N 1.211 121.050 119.950 -0.186 0.000 2.075 155 F HA 0.013 4.540 4.527 -0.001 0.000 0.297 155 F C 2.701 178.431 175.800 -0.117 0.000 1.113 155 F CA 2.156 60.041 58.000 -0.191 0.000 1.218 155 F CB -0.409 38.382 39.000 -0.349 0.000 0.984 155 F HN 0.298 nan 8.300 nan 0.000 0.472 156 A N -0.240 122.485 122.820 -0.158 0.000 1.969 156 A HA 0.046 4.365 4.320 -0.001 0.000 0.218 156 A C 2.317 179.801 177.584 -0.167 0.000 1.169 156 A CA 1.446 53.356 52.037 -0.211 0.000 0.635 156 A CB -1.606 17.383 19.000 -0.019 0.000 0.810 156 A HN 0.508 nan 8.150 nan 0.000 0.445 157 G N -1.113 107.618 108.800 -0.115 0.000 2.939 157 G HA2 0.232 4.192 3.960 -0.001 0.000 0.210 157 G HA3 0.232 4.192 3.960 -0.001 0.000 0.210 157 G C 0.720 175.560 174.900 -0.099 0.000 1.160 157 G CA 0.662 45.707 45.100 -0.091 0.000 0.770 157 G HN 0.440 nan 8.290 nan 0.000 0.543 158 S N 0.902 116.527 115.700 -0.125 0.000 2.552 158 S HA 0.243 4.713 4.470 -0.001 0.000 0.289 158 S C 0.544 175.085 174.600 -0.099 0.000 1.304 158 S CA -0.241 57.889 58.200 -0.115 0.000 1.063 158 S CB 0.358 63.488 63.200 -0.117 0.000 0.848 158 S HN 0.241 nan 8.310 nan 0.000 0.499 159 R N 4.007 124.458 120.500 -0.082 0.000 2.674 159 R HA 0.517 4.856 4.340 -0.001 0.000 0.266 159 R C -2.377 173.896 176.300 -0.046 0.000 1.016 159 R CA -2.371 53.696 56.100 -0.056 0.000 1.062 159 R CB 0.062 30.335 30.300 -0.045 0.000 1.142 159 R HN 0.514 nan 8.270 nan 0.000 0.517 160 P HA 0.237 nan 4.420 nan 0.000 0.272 160 P C -0.133 177.159 177.300 -0.013 0.000 1.230 160 P CA 0.117 63.215 63.100 -0.003 0.000 0.788 160 P CB 0.727 32.434 31.700 0.011 0.000 0.949 161 G N -0.535 108.261 108.800 -0.005 0.000 2.321 161 G HA2 0.158 4.117 3.960 -0.001 0.000 0.339 161 G HA3 0.158 4.117 3.960 -0.001 0.000 0.339 161 G C -0.323 174.584 174.900 0.011 0.000 1.518 161 G CA -0.243 44.858 45.100 0.001 0.000 0.994 161 G HN 0.441 nan 8.290 nan 0.000 0.668 162 T N -0.592 113.997 114.554 0.059 0.000 3.041 162 T HA 0.192 4.542 4.350 -0.001 0.000 0.276 162 T C 0.282 175.117 174.700 0.224 0.000 0.948 162 T CA 0.600 62.771 62.100 0.118 0.000 0.885 162 T CB -0.024 68.891 68.868 0.078 0.000 1.175 162 T HN 0.656 nan 8.240 nan 0.000 0.529 163 D N 2.571 123.085 120.400 0.190 0.000 2.434 163 D HA 0.106 4.746 4.640 -0.001 0.000 0.252 163 D C -1.708 174.749 176.300 0.261 0.000 1.185 163 D CA -1.786 52.318 54.000 0.175 0.000 0.886 163 D CB 1.688 42.554 40.800 0.110 0.000 1.148 163 D HN 0.073 nan 8.370 nan 0.000 0.483 164 P HA -0.083 nan 4.420 nan 0.000 0.219 164 P C 0.660 177.925 177.300 -0.059 0.000 1.146 164 P CA 1.241 64.193 63.100 -0.246 0.000 0.808 164 P CB 0.211 31.848 31.700 -0.105 0.000 0.779 165 A N -1.068 121.784 122.820 0.052 0.000 2.167 165 A HA -0.061 4.259 4.320 -0.001 0.000 0.214 165 A C 1.156 178.792 177.584 0.087 0.000 1.151 165 A CA 0.394 52.474 52.037 0.072 0.000 0.735 165 A CB -0.922 18.113 19.000 0.057 0.000 0.802 165 A HN 0.065 nan 8.150 nan 0.000 0.467 166 D N 0.682 121.161 120.400 0.131 0.000 2.339 166 D HA 0.124 4.764 4.640 -0.001 0.000 0.256 166 D C -1.638 174.715 176.300 0.087 0.000 1.214 166 D CA -1.821 52.239 54.000 0.101 0.000 0.877 166 D CB 1.226 42.084 40.800 0.097 0.000 1.111 166 D HN 0.158 nan 8.370 nan 0.000 0.478 167 P HA 0.002 nan 4.420 nan 0.000 0.245 167 P C 0.264 177.526 177.300 -0.065 0.000 1.212 167 P CA 0.207 63.287 63.100 -0.033 0.000 0.774 167 P CB 0.511 32.196 31.700 -0.025 0.000 0.999 168 N N 0.126 118.794 118.700 -0.053 0.000 2.280 168 N HA 0.048 4.787 4.740 -0.001 0.000 0.192 168 N C 0.590 176.033 175.510 -0.111 0.000 1.109 168 N CA 0.186 53.193 53.050 -0.072 0.000 0.855 168 N CB 1.086 39.544 38.487 -0.048 0.000 0.974 168 N HN 0.176 nan 8.380 nan 0.000 0.482 169 V N 0.286 120.099 119.914 -0.168 0.000 2.667 169 V HA 0.472 4.592 4.120 -0.001 0.000 0.308 169 V C -0.503 175.379 176.094 -0.354 0.000 1.048 169 V CA -1.076 61.058 62.300 -0.277 0.000 0.928 169 V CB 2.159 33.760 31.823 -0.369 0.000 1.004 169 V HN -0.106 nan 8.190 nan 0.000 0.444 170 L N 5.731 126.804 121.223 -0.249 0.000 2.295 170 L HA 0.525 4.865 4.340 -0.001 0.000 0.288 170 L C -0.010 176.768 176.870 -0.153 0.000 1.079 170 L CA 0.480 55.228 54.840 -0.153 0.000 0.830 170 L CB -0.362 41.684 42.059 -0.021 0.000 1.200 170 L HN 0.866 nan 8.230 nan 0.000 0.438 171 H N 3.014 122.078 119.070 -0.010 0.000 2.547 171 H HA 0.659 5.215 4.556 -0.001 0.000 0.362 171 H C -0.097 175.349 175.328 0.197 0.000 1.181 171 H CA 0.134 56.245 56.048 0.106 0.000 1.376 171 H CB 1.143 31.002 29.762 0.161 0.000 1.488 171 H HN 0.768 nan 8.280 nan 0.000 0.583 172 A N 2.642 125.682 122.820 0.367 0.000 2.258 172 A HA 0.315 4.634 4.320 -0.001 0.000 0.316 172 A C -0.349 177.395 177.584 0.266 0.000 1.279 172 A CA -0.629 51.610 52.037 0.336 0.000 0.876 172 A CB 0.167 19.370 19.000 0.338 0.000 1.170 172 A HN 0.855 nan 8.150 nan 0.000 0.520 173 N N 0.622 119.431 118.700 0.182 0.000 2.362 173 N HA 0.688 5.428 4.740 -0.001 0.000 0.299 173 N C -1.356 174.008 175.510 -0.243 0.000 1.170 173 N CA -0.585 52.476 53.050 0.019 0.000 0.825 173 N CB 2.305 40.839 38.487 0.078 0.000 1.299 173 N HN 0.395 nan 8.380 nan 0.000 0.502 174 V N 0.051 119.791 119.914 -0.289 0.000 2.686 174 V HA 0.685 4.805 4.120 -0.001 0.000 0.306 174 V C -0.599 175.356 176.094 -0.232 0.000 1.065 174 V CA -1.024 60.973 62.300 -0.505 0.000 0.894 174 V CB 1.309 32.733 31.823 -0.666 0.000 1.004 174 V HN 0.753 nan 8.190 nan 0.000 0.424 175 A N 2.511 125.230 122.820 -0.170 0.000 2.304 175 A HA 0.870 5.189 4.320 -0.001 0.000 0.323 175 A C 0.020 177.763 177.584 0.264 0.000 1.195 175 A CA -0.453 51.580 52.037 -0.007 0.000 0.826 175 A CB 1.113 20.056 19.000 -0.095 0.000 1.184 175 A HN 0.820 nan 8.150 nan 0.000 0.496 176 T N 1.447 116.147 114.554 0.242 0.000 2.829 176 T HA 0.620 4.970 4.350 -0.001 0.000 0.280 176 T C -0.265 174.384 174.700 -0.084 0.000 0.999 176 T CA -0.360 61.806 62.100 0.111 0.000 0.983 176 T CB 1.413 70.326 68.868 0.075 0.000 0.968 176 T HN 0.717 nan 8.240 nan 0.000 0.446 177 S N 0.797 116.236 115.700 -0.434 0.000 2.557 177 S HA 0.541 5.011 4.470 -0.001 0.000 0.291 177 S C 0.712 175.014 174.600 -0.495 0.000 1.116 177 S CA -0.616 57.155 58.200 -0.716 0.000 0.992 177 S CB 1.083 63.362 63.200 -1.535 0.000 1.028 177 S HN 0.835 nan 8.310 nan 0.000 0.484 178 T N -0.196 114.136 114.554 -0.370 0.000 3.044 178 T HA 0.218 4.568 4.350 -0.001 0.000 0.260 178 T C 0.084 174.643 174.700 -0.235 0.000 1.019 178 T CA -0.034 61.909 62.100 -0.261 0.000 0.921 178 T CB -0.193 68.568 68.868 -0.179 0.000 1.053 178 T HN 0.605 nan 8.240 nan 0.000 0.533 179 D N 0.780 121.007 120.400 -0.288 0.000 2.772 179 D HA 0.338 4.977 4.640 -0.001 0.000 0.272 179 D C 1.312 177.470 176.300 -0.238 0.000 1.314 179 D CA -0.374 53.489 54.000 -0.229 0.000 0.835 179 D CB -0.317 40.363 40.800 -0.200 0.000 1.080 179 D HN 0.382 nan 8.370 nan 0.000 0.482 180 G N -0.281 108.365 108.800 -0.257 0.000 2.143 180 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.248 180 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.248 180 G C 1.107 175.862 174.900 -0.240 0.000 0.991 180 G CA 0.268 45.239 45.100 -0.216 0.000 0.689 180 G HN 1.456 nan 8.290 nan 0.000 0.522 181 G N -1.654 106.886 108.800 -0.434 0.000 2.141 181 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.231 181 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.231 181 G C 1.149 175.875 174.900 -0.291 0.000 0.984 181 G CA 0.850 45.685 45.100 -0.441 0.000 0.660 181 G HN 1.133 nan 8.290 nan 0.000 0.525 182 L N 0.429 121.455 121.223 -0.328 0.000 2.084 182 L HA 0.223 4.562 4.340 -0.001 0.000 0.202 182 L C 1.931 178.695 176.870 -0.177 0.000 1.074 182 L CA 1.859 56.601 54.840 -0.163 0.000 0.757 182 L CB -0.394 41.585 42.059 -0.134 0.000 0.918 182 L HN 0.543 nan 8.230 nan 0.000 0.444 183 T N -3.653 110.693 114.554 -0.348 0.000 2.932 183 T HA 0.481 4.831 4.350 -0.001 0.000 0.289 183 T C -1.320 173.089 174.700 -0.485 0.000 1.039 183 T CA -0.614 61.351 62.100 -0.225 0.000 1.024 183 T CB 1.730 70.526 68.868 -0.121 0.000 1.090 183 T HN 0.040 nan 8.240 nan 0.000 0.496 184 W N 0.144 121.383 121.300 -0.102 0.000 2.936 184 W HA 0.626 5.286 4.660 -0.001 0.000 0.338 184 W C -0.625 175.702 176.519 -0.320 0.000 1.121 184 W CA -0.757 56.457 57.345 -0.217 0.000 1.209 184 W CB 2.308 31.610 29.460 -0.264 0.000 1.420 184 W HN 0.688 nan 8.180 nan 0.000 0.516 185 S N 1.869 117.496 115.700 -0.123 0.000 2.478 185 S HA 0.434 4.904 4.470 -0.001 0.000 0.312 185 S C -0.837 173.593 174.600 -0.284 0.000 1.094 185 S CA -0.853 57.259 58.200 -0.147 0.000 1.081 185 S CB 0.592 63.768 63.200 -0.040 0.000 1.007 185 S HN 0.324 nan 8.310 nan 0.000 0.475 186 H N 2.053 121.159 119.070 0.061 0.000 2.479 186 H HA 0.600 5.155 4.556 -0.001 0.000 0.335 186 H C -0.015 175.324 175.328 0.017 0.000 1.142 186 H CA -0.579 55.481 56.048 0.021 0.000 1.234 186 H CB 1.259 30.997 29.762 -0.040 0.000 1.503 186 H HN 0.429 nan 8.280 nan 0.000 0.510 187 R N 0.468 121.037 120.500 0.115 0.000 2.584 187 R HA 0.244 4.584 4.340 -0.001 0.000 0.276 187 R C -1.207 175.135 176.300 0.070 0.000 1.046 187 R CA -0.489 55.661 56.100 0.083 0.000 0.906 187 R CB 1.897 32.248 30.300 0.084 0.000 1.215 187 R HN 0.552 nan 8.270 nan 0.000 0.449 188 T N 4.967 119.567 114.554 0.077 0.000 2.733 188 T HA 0.277 4.627 4.350 -0.001 0.000 0.294 188 T C 0.953 175.721 174.700 0.113 0.000 0.956 188 T CA -0.399 61.764 62.100 0.104 0.000 0.987 188 T CB 0.371 69.283 68.868 0.072 0.000 0.920 188 T HN 0.599 nan 8.240 nan 0.000 0.470 189 I N 0.141 120.787 120.570 0.127 0.000 3.927 189 I HA 0.219 4.389 4.170 -0.001 0.000 0.332 189 I C 1.543 177.735 176.117 0.126 0.000 1.485 189 I CA -0.456 60.917 61.300 0.121 0.000 1.131 189 I CB -0.262 37.797 38.000 0.098 0.000 1.092 189 I HN 0.370 nan 8.210 nan 0.000 0.410 190 T N 1.844 116.506 114.554 0.179 0.000 2.665 190 T HA -0.238 4.112 4.350 -0.001 0.000 0.268 190 T C 2.171 176.942 174.700 0.118 0.000 1.035 190 T CA 2.223 64.430 62.100 0.177 0.000 1.151 190 T CB -0.215 68.835 68.868 0.303 0.000 0.862 190 T HN 0.629 nan 8.240 nan 0.000 0.438 191 A N 2.077 124.968 122.820 0.118 0.000 1.933 191 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 191 A C 2.099 179.712 177.584 0.047 0.000 1.175 191 A CA 1.747 53.829 52.037 0.075 0.000 0.628 191 A CB -0.595 18.450 19.000 0.074 0.000 0.814 191 A HN 0.408 nan 8.150 nan 0.000 0.444 192 D N 0.015 120.451 120.400 0.061 0.000 2.219 192 D HA -0.093 4.546 4.640 -0.001 0.000 0.205 192 D C 1.534 177.846 176.300 0.020 0.000 0.970 192 D CA 1.556 55.586 54.000 0.049 0.000 0.851 192 D CB -0.274 40.584 40.800 0.096 0.000 0.943 192 D HN 0.765 nan 8.370 nan 0.000 0.488 193 I N -2.168 118.410 120.570 0.014 0.000 3.889 193 I HA 0.220 4.390 4.170 -0.001 0.000 0.332 193 I C -0.379 175.760 176.117 0.037 0.000 1.493 193 I CA -0.110 61.175 61.300 -0.025 0.000 1.158 193 I CB 0.407 38.320 38.000 -0.146 0.000 1.117 193 I HN -0.368 nan 8.210 nan 0.000 0.411 194 T N 3.851 118.414 114.554 0.016 0.000 3.327 194 T HA 0.337 4.686 4.350 -0.001 0.000 0.373 194 T C -1.510 173.061 174.700 -0.215 0.000 1.589 194 T CA -0.717 61.367 62.100 -0.028 0.000 1.497 194 T CB 0.926 69.817 68.868 0.038 0.000 1.032 194 T HN 0.228 nan 8.240 nan 0.000 0.640 195 P HA 0.035 nan 4.420 nan 0.000 0.225 195 P C 0.086 177.118 177.300 -0.447 0.000 1.156 195 P CA 0.738 63.658 63.100 -0.300 0.000 0.787 195 P CB 0.405 31.973 31.700 -0.219 0.000 0.802 196 D N 0.817 120.709 120.400 -0.847 0.000 2.349 196 D HA 0.128 4.768 4.640 -0.001 0.000 0.232 196 D C -1.514 174.476 176.300 -0.517 0.000 1.071 196 D CA -2.506 51.011 54.000 -0.806 0.000 0.832 196 D CB 1.728 41.652 40.800 -1.460 0.000 1.086 196 D HN -0.020 nan 8.370 nan 0.000 0.504 197 P HA -0.054 nan 4.420 nan 0.000 0.226 197 P C 1.099 178.373 177.300 -0.042 0.000 1.146 197 P CA 0.481 63.508 63.100 -0.120 0.000 0.773 197 P CB 0.293 31.944 31.700 -0.082 0.000 0.772 198 G N -1.547 107.233 108.800 -0.034 0.000 2.712 198 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.212 198 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.212 198 G C 0.320 175.372 174.900 0.253 0.000 1.142 198 G CA -0.436 44.718 45.100 0.090 0.000 0.789 198 G HN 0.273 nan 8.290 nan 0.000 0.535 199 W N 1.985 123.280 121.300 -0.008 0.000 2.724 199 W HA 0.204 4.863 4.660 -0.001 0.000 0.347 199 W C 1.558 178.060 176.519 -0.027 0.000 1.338 199 W CA -1.087 56.252 57.345 -0.011 0.000 1.450 199 W CB 0.501 29.956 29.460 -0.008 0.000 1.534 199 W HN 0.221 nan 8.180 nan 0.000 0.508 200 R N 1.457 122.053 120.500 0.159 0.000 2.300 200 R HA 0.178 4.518 4.340 -0.001 0.000 0.199 200 R C 0.515 176.811 176.300 -0.007 0.000 0.920 200 R CA 0.135 56.265 56.100 0.050 0.000 1.046 200 R CB 0.575 30.876 30.300 0.003 0.000 0.984 200 R HN 0.150 nan 8.270 nan 0.000 0.493 201 S N 0.036 115.731 115.700 -0.009 0.000 2.570 201 S HA 0.573 5.043 4.470 -0.001 0.000 0.270 201 S C -1.899 172.774 174.600 0.122 0.000 1.149 201 S CA -0.989 57.204 58.200 -0.012 0.000 0.837 201 S CB 1.479 64.537 63.200 -0.238 0.000 1.124 201 S HN 0.474 nan 8.310 nan 0.000 0.465 202 R N 0.992 121.669 120.500 0.295 0.000 2.709 202 R HA 0.606 4.946 4.340 -0.001 0.000 0.270 202 R C -2.210 174.393 176.300 0.505 0.000 1.038 202 R CA -0.763 55.569 56.100 0.386 0.000 0.872 202 R CB 0.417 30.870 30.300 0.254 0.000 1.259 202 R HN 0.894 nan 8.270 nan 0.000 0.473 203 F N -0.649 119.379 119.950 0.131 0.000 2.639 203 F HA 0.734 5.261 4.527 -0.001 0.000 0.320 203 F C -1.313 174.253 175.800 -0.391 0.000 1.128 203 F CA -0.681 57.270 58.000 -0.083 0.000 1.037 203 F CB 1.321 40.194 39.000 -0.212 0.000 1.288 203 F HN 0.856 nan 8.300 nan 0.000 0.463 204 A N 2.865 125.238 122.820 -0.746 0.000 2.488 204 A HA 0.611 4.931 4.320 -0.001 0.000 0.249 204 A C 0.482 177.654 177.584 -0.686 0.000 1.083 204 A CA 0.013 51.294 52.037 -1.260 0.000 0.768 204 A CB -0.349 18.025 19.000 -1.044 0.000 1.017 204 A HN 1.797 nan 8.150 nan 0.000 0.496 205 A N 3.651 126.058 122.820 -0.689 0.000 2.491 205 A HA 0.480 4.800 4.320 -0.001 0.000 0.261 205 A C 1.022 178.457 177.584 -0.248 0.000 1.101 205 A CA 0.304 52.057 52.037 -0.474 0.000 0.772 205 A CB -0.598 18.151 19.000 -0.417 0.000 1.043 205 A HN 1.854 nan 8.150 nan 0.000 0.501 206 S N 2.594 118.241 115.700 -0.089 0.000 2.560 206 S HA 0.575 5.044 4.470 -0.001 0.000 0.284 206 S C 0.875 175.469 174.600 -0.009 0.000 1.327 206 S CA 0.258 58.458 58.200 0.001 0.000 1.055 206 S CB 0.914 64.194 63.200 0.132 0.000 0.868 206 S HN 2.429 nan 8.310 nan 0.000 0.506 207 G N 1.465 110.283 108.800 0.030 0.000 2.013 207 G HA2 0.137 4.097 3.960 -0.001 0.000 0.076 207 G HA3 0.137 4.097 3.960 -0.001 0.000 0.076 207 G C -1.064 173.905 174.900 0.116 0.000 1.053 207 G CA -0.138 45.001 45.100 0.065 0.000 1.230 207 G HN 1.009 nan 8.290 nan 0.000 0.431 208 E N -0.164 120.099 120.200 0.104 0.000 2.321 208 E HA 0.536 4.886 4.350 -0.001 0.000 0.281 208 E C 0.266 176.931 176.600 0.108 0.000 0.910 208 E CA -0.136 56.362 56.400 0.163 0.000 0.770 208 E CB 1.371 31.191 29.700 0.201 0.000 1.225 208 E HN 0.927 nan 8.360 nan 0.000 0.417 209 G N 2.996 111.872 108.800 0.127 0.000 2.510 209 G HA2 0.629 4.589 3.960 -0.001 0.000 0.280 209 G HA3 0.629 4.589 3.960 -0.001 0.000 0.280 209 G C 0.019 174.998 174.900 0.131 0.000 1.386 209 G CA -0.407 44.746 45.100 0.089 0.000 1.047 209 G HN 0.591 nan 8.290 nan 0.000 0.527 210 I N -3.977 116.666 120.570 0.121 0.000 3.145 210 I HA 0.712 4.881 4.170 -0.001 0.000 0.313 210 I C -1.088 175.110 176.117 0.135 0.000 1.122 210 I CA -1.191 60.181 61.300 0.120 0.000 0.987 210 I CB 2.506 40.554 38.000 0.079 0.000 1.236 210 I HN 0.474 nan 8.210 nan 0.000 0.453 211 Q N 2.629 122.496 119.800 0.113 0.000 2.321 211 Q HA 0.544 4.884 4.340 -0.001 0.000 0.270 211 Q C -1.720 174.309 176.000 0.050 0.000 1.032 211 Q CA -0.775 55.093 55.803 0.108 0.000 0.784 211 Q CB 2.205 31.027 28.738 0.139 0.000 1.264 211 Q HN 0.733 nan 8.270 nan 0.000 0.448 212 L N 3.833 125.079 121.223 0.038 0.000 2.453 212 L HA 0.186 4.526 4.340 -0.001 0.000 0.272 212 L C 1.132 177.985 176.870 -0.028 0.000 1.182 212 L CA -0.226 54.611 54.840 -0.004 0.000 0.858 212 L CB 0.341 42.427 42.059 0.046 0.000 1.120 212 L HN 0.671 nan 8.230 nan 0.000 0.474 213 R N 1.657 122.061 120.500 -0.160 0.000 2.250 213 R HA 0.167 4.506 4.340 -0.001 0.000 0.194 213 R C -0.314 175.999 176.300 0.023 0.000 0.927 213 R CA 0.406 56.422 56.100 -0.140 0.000 1.052 213 R CB 0.072 30.192 30.300 -0.300 0.000 1.055 213 R HN 0.393 nan 8.270 nan 0.000 0.537 214 Y N 0.243 120.581 120.300 0.064 0.000 2.568 214 Y HA 0.594 5.144 4.550 -0.001 0.000 0.327 214 Y C 1.384 177.307 175.900 0.038 0.000 1.163 214 Y CA -1.027 57.101 58.100 0.047 0.000 1.219 214 Y CB 0.051 38.538 38.460 0.045 0.000 1.308 214 Y HN 0.327 nan 8.280 nan 0.000 0.503 215 G N 0.953 109.874 108.800 0.201 0.000 2.697 215 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.240 215 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.240 215 G C -1.623 173.279 174.900 0.004 0.000 1.346 215 G CA -0.338 44.812 45.100 0.083 0.000 0.887 215 G HN 0.592 nan 8.290 nan 0.000 0.569 216 P HA -0.045 nan 4.420 nan 0.000 0.226 216 P C 0.737 177.796 177.300 -0.402 0.000 1.153 216 P CA 1.739 64.677 63.100 -0.271 0.000 0.777 216 P CB -0.099 31.369 31.700 -0.387 0.000 0.794 217 H N -0.677 118.400 119.070 0.011 0.000 2.487 217 H HA 0.468 5.024 4.556 -0.001 0.000 0.290 217 H C 0.677 176.014 175.328 0.016 0.000 1.081 217 H CA -0.514 55.534 56.048 0.000 0.000 1.116 217 H CB 0.079 29.828 29.762 -0.022 0.000 1.560 217 H HN 0.114 nan 8.280 nan 0.000 0.548 218 A N 0.551 123.427 122.820 0.092 0.000 2.565 218 A HA 0.367 4.686 4.320 -0.001 0.000 0.237 218 A C 1.663 179.292 177.584 0.076 0.000 1.053 218 A CA 0.985 53.073 52.037 0.085 0.000 0.755 218 A CB -0.457 18.594 19.000 0.086 0.000 0.980 218 A HN 0.717 nan 8.150 nan 0.000 0.506 219 G N 1.131 109.977 108.800 0.077 0.000 2.258 219 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.233 219 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.233 219 G C 0.583 175.502 174.900 0.031 0.000 1.006 219 G CA 0.433 45.582 45.100 0.081 0.000 0.620 219 G HN 1.127 nan 8.290 nan 0.000 0.511 220 R N 1.037 121.558 120.500 0.036 0.000 2.522 220 R HA 0.432 4.771 4.340 -0.001 0.000 0.284 220 R C 0.158 176.492 176.300 0.057 0.000 1.032 220 R CA -0.164 55.950 56.100 0.023 0.000 1.049 220 R CB -0.026 30.294 30.300 0.033 0.000 0.956 220 R HN 0.300 nan 8.270 nan 0.000 0.422 221 L N 6.861 128.123 121.223 0.064 0.000 2.265 221 L HA 0.397 4.737 4.340 -0.001 0.000 0.288 221 L C -0.107 176.911 176.870 0.246 0.000 1.058 221 L CA -0.459 54.484 54.840 0.172 0.000 0.809 221 L CB 1.147 43.321 42.059 0.191 0.000 1.179 221 L HN 0.569 nan 8.230 nan 0.000 0.429 222 I N 3.647 124.336 120.570 0.199 0.000 2.436 222 I HA 0.344 4.514 4.170 -0.001 0.000 0.289 222 I C -0.405 175.765 176.117 0.088 0.000 1.010 222 I CA -0.494 60.897 61.300 0.151 0.000 1.098 222 I CB 1.918 39.924 38.000 0.010 0.000 1.266 222 I HN 0.559 nan 8.210 nan 0.000 0.434 223 Q N 5.554 125.371 119.800 0.028 0.000 2.310 223 Q HA 0.334 4.674 4.340 -0.001 0.000 0.270 223 Q C -1.152 174.780 176.000 -0.113 0.000 1.025 223 Q CA -0.832 54.846 55.803 -0.208 0.000 0.772 223 Q CB 2.624 30.905 28.738 -0.761 0.000 1.253 223 Q HN 0.482 nan 8.270 nan 0.000 0.450 224 Q N 2.278 121.978 119.800 -0.166 0.000 2.327 224 Q HA 0.331 4.671 4.340 -0.001 0.000 0.254 224 Q C -0.859 174.996 176.000 -0.242 0.000 0.952 224 Q CA 0.271 55.995 55.803 -0.132 0.000 0.884 224 Q CB 0.684 29.318 28.738 -0.174 0.000 1.224 224 Q HN 0.459 nan 8.270 nan 0.000 0.422 225 Y N -0.739 119.388 120.300 -0.289 0.000 2.605 225 Y HA 0.426 4.975 4.550 -0.001 0.000 0.343 225 Y C -0.053 175.617 175.900 -0.383 0.000 1.036 225 Y CA -0.654 57.238 58.100 -0.347 0.000 1.065 225 Y CB 2.294 40.615 38.460 -0.232 0.000 1.288 225 Y HN 0.360 nan 8.280 nan 0.000 0.481 226 T N 3.540 117.896 114.554 -0.330 0.000 2.841 226 T HA 0.729 5.079 4.350 -0.001 0.000 0.283 226 T C -0.966 173.669 174.700 -0.108 0.000 1.000 226 T CA -0.512 61.403 62.100 -0.309 0.000 0.977 226 T CB 0.858 69.404 68.868 -0.536 0.000 0.979 226 T HN 0.475 nan 8.240 nan 0.000 0.446 227 I N -0.577 119.904 120.570 -0.149 0.000 3.002 227 I HA 0.747 4.916 4.170 -0.001 0.000 0.310 227 I C -1.225 174.765 176.117 -0.213 0.000 1.087 227 I CA -1.362 59.824 61.300 -0.190 0.000 1.017 227 I CB 1.711 39.320 38.000 -0.652 0.000 1.226 227 I HN 0.534 nan 8.210 nan 0.000 0.443 228 I N 3.532 123.966 120.570 -0.226 0.000 2.389 228 I HA 0.369 4.539 4.170 -0.001 0.000 0.288 228 I C -0.490 175.573 176.117 -0.090 0.000 0.999 228 I CA -0.605 60.572 61.300 -0.205 0.000 1.129 228 I CB 1.362 39.157 38.000 -0.342 0.000 1.288 228 I HN 0.824 nan 8.210 nan 0.000 0.444 229 N N 5.329 124.014 118.700 -0.026 0.000 2.366 229 N HA 0.298 5.038 4.740 -0.001 0.000 0.277 229 N C 1.005 176.589 175.510 0.123 0.000 1.275 229 N CA -0.242 52.879 53.050 0.119 0.000 0.964 229 N CB 0.434 39.011 38.487 0.150 0.000 1.167 229 N HN 0.560 nan 8.380 nan 0.000 0.568 230 A N -0.814 122.101 122.820 0.159 0.000 1.940 230 A HA 0.007 4.327 4.320 -0.001 0.000 0.219 230 A C 2.039 179.665 177.584 0.070 0.000 1.176 230 A CA 2.049 54.147 52.037 0.101 0.000 0.631 230 A CB -1.527 17.531 19.000 0.096 0.000 0.814 230 A HN 0.863 nan 8.150 nan 0.000 0.446 231 A N -2.086 120.780 122.820 0.077 0.000 2.206 231 A HA 0.391 4.711 4.320 -0.001 0.000 0.211 231 A C 1.842 179.458 177.584 0.053 0.000 1.158 231 A CA 1.299 53.370 52.037 0.058 0.000 0.761 231 A CB -0.832 18.203 19.000 0.059 0.000 0.801 231 A HN 1.901 nan 8.150 nan 0.000 0.473 232 G N -2.292 106.546 108.800 0.064 0.000 2.157 232 G HA2 0.110 4.070 3.960 -0.001 0.000 0.239 232 G HA3 0.110 4.070 3.960 -0.001 0.000 0.239 232 G C 0.380 175.363 174.900 0.139 0.000 0.982 232 G CA 0.230 45.376 45.100 0.077 0.000 0.650 232 G HN 1.552 nan 8.290 nan 0.000 0.527 233 A N 0.056 122.952 122.820 0.127 0.000 2.388 233 A HA 0.694 5.014 4.320 -0.001 0.000 0.257 233 A C -0.155 177.605 177.584 0.293 0.000 1.095 233 A CA -0.196 51.938 52.037 0.162 0.000 0.791 233 A CB 0.251 19.305 19.000 0.091 0.000 1.029 233 A HN 0.585 nan 8.150 nan 0.000 0.489 234 F N 1.408 121.358 119.950 -0.000 0.000 2.404 234 F HA 0.363 4.890 4.527 -0.001 0.000 0.358 234 F C 0.885 176.671 175.800 -0.023 0.000 1.120 234 F CA -0.096 57.922 58.000 0.030 0.000 1.144 234 F CB 0.951 40.008 39.000 0.096 0.000 1.133 234 F HN 0.583 nan 8.300 nan 0.000 0.495 235 Q N 1.668 121.489 119.800 0.035 0.000 2.433 235 Q HA 0.820 5.160 4.340 -0.001 0.000 0.279 235 Q C -0.918 175.006 176.000 -0.127 0.000 1.105 235 Q CA -1.365 54.401 55.803 -0.062 0.000 0.815 235 Q CB 2.772 31.416 28.738 -0.157 0.000 1.403 235 Q HN 0.657 nan 8.270 nan 0.000 0.435 236 A N 0.946 123.692 122.820 -0.123 0.000 2.295 236 A HA 0.781 5.101 4.320 -0.001 0.000 0.318 236 A C -0.994 176.504 177.584 -0.144 0.000 1.134 236 A CA -0.531 51.410 52.037 -0.160 0.000 0.827 236 A CB 1.412 20.297 19.000 -0.193 0.000 1.136 236 A HN 0.405 nan 8.150 nan 0.000 0.493 237 V N 1.303 121.152 119.914 -0.109 0.000 2.924 237 V HA 0.520 4.639 4.120 -0.001 0.000 0.300 237 V C -0.499 175.631 176.094 0.060 0.000 1.227 237 V CA -0.405 61.895 62.300 0.000 0.000 0.954 237 V CB 2.459 34.279 31.823 -0.005 0.000 1.055 237 V HN 0.966 nan 8.190 nan 0.000 0.429 238 S N 4.279 120.084 115.700 0.175 0.000 2.475 238 S HA 0.627 5.096 4.470 -0.001 0.000 0.281 238 S C -0.439 174.307 174.600 0.243 0.000 1.198 238 S CA -0.332 57.986 58.200 0.196 0.000 1.063 238 S CB 1.367 64.700 63.200 0.223 0.000 0.972 238 S HN 0.640 nan 8.310 nan 0.000 0.486 239 V N 5.634 125.658 119.914 0.183 0.000 2.427 239 V HA 0.572 4.692 4.120 -0.001 0.000 0.286 239 V C -0.737 175.550 176.094 0.322 0.000 1.034 239 V CA -0.470 61.903 62.300 0.121 0.000 0.893 239 V CB 0.588 32.365 31.823 -0.075 0.000 0.982 239 V HN 0.864 nan 8.190 nan 0.000 0.452 240 Y N 2.125 122.576 120.300 0.252 0.000 2.644 240 Y HA 0.844 5.394 4.550 -0.000 0.000 0.338 240 Y C -0.448 175.471 175.900 0.031 0.000 1.119 240 Y CA -1.263 56.962 58.100 0.208 0.000 1.060 240 Y CB 1.987 40.479 38.460 0.052 0.000 1.294 240 Y HN 0.420 nan 8.280 nan 0.000 0.472 241 S N 0.282 115.939 115.700 -0.072 0.000 2.571 241 S HA 0.373 4.842 4.470 -0.001 0.000 0.284 241 S C -1.047 173.415 174.600 -0.231 0.000 1.128 241 S CA -0.625 57.284 58.200 -0.486 0.000 0.970 241 S CB 1.071 63.393 63.200 -1.462 0.000 1.039 241 S HN 0.764 nan 8.310 nan 0.000 0.485 242 D N 2.298 122.606 120.400 -0.153 0.000 2.369 242 D HA 0.123 4.763 4.640 -0.001 0.000 0.211 242 D C -0.011 176.141 176.300 -0.247 0.000 1.077 242 D CA 0.357 54.282 54.000 -0.125 0.000 0.842 242 D CB 0.420 41.226 40.800 0.011 0.000 0.947 242 D HN 0.753 nan 8.370 nan 0.000 0.509 243 D N -1.389 118.837 120.400 -0.289 0.000 2.788 243 D HA 0.049 4.689 4.640 -0.001 0.000 0.289 243 D C -0.322 175.885 176.300 -0.156 0.000 1.340 243 D CA -0.797 53.072 54.000 -0.218 0.000 0.831 243 D CB -0.900 39.839 40.800 -0.101 0.000 1.103 243 D HN 0.003 nan 8.370 nan 0.000 0.476 244 H N -0.561 118.462 119.070 -0.078 0.000 2.820 244 H HA -0.083 4.472 4.556 -0.001 0.000 0.295 244 H C 1.470 176.837 175.328 0.064 0.000 1.187 244 H CA 1.001 57.060 56.048 0.019 0.000 1.144 244 H CB -1.423 28.389 29.762 0.084 0.000 1.354 244 H HN 0.598 nan 8.280 nan 0.000 0.395 245 G N -1.198 107.447 108.800 -0.260 0.000 2.176 245 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.232 245 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.232 245 G C 1.261 176.097 174.900 -0.108 0.000 0.986 245 G CA 0.341 45.262 45.100 -0.299 0.000 0.643 245 G HN 0.523 nan 8.290 nan 0.000 0.522 246 R N 0.437 120.874 120.500 -0.105 0.000 2.062 246 R HA 0.096 4.436 4.340 -0.001 0.000 0.231 246 R C 1.425 177.684 176.300 -0.068 0.000 1.136 246 R CA 1.785 57.878 56.100 -0.011 0.000 0.948 246 R CB -0.288 30.014 30.300 0.004 0.000 0.845 246 R HN 0.635 nan 8.270 nan 0.000 0.430 247 T N -2.499 111.913 114.554 -0.237 0.000 2.863 247 T HA 0.464 4.814 4.350 -0.001 0.000 0.285 247 T C -1.093 173.345 174.700 -0.437 0.000 1.009 247 T CA -0.857 61.133 62.100 -0.182 0.000 0.989 247 T CB 1.579 70.386 68.868 -0.100 0.000 1.004 247 T HN 0.140 nan 8.240 nan 0.000 0.455 248 W N 1.916 123.189 121.300 -0.045 0.000 2.736 248 W HA 0.714 5.374 4.660 -0.001 0.000 0.335 248 W C 0.249 176.671 176.519 -0.161 0.000 1.059 248 W CA -0.873 56.422 57.345 -0.084 0.000 1.226 248 W CB 1.880 31.336 29.460 -0.007 0.000 1.416 248 W HN 0.963 nan 8.180 nan 0.000 0.505 249 R N 1.356 121.793 120.500 -0.105 0.000 2.707 249 R HA 0.918 5.258 4.340 -0.001 0.000 0.272 249 R C -1.132 174.938 176.300 -0.383 0.000 1.011 249 R CA -1.160 54.792 56.100 -0.247 0.000 0.893 249 R CB 1.252 31.375 30.300 -0.295 0.000 1.233 249 R HN 0.467 nan 8.270 nan 0.000 0.464 250 A N 1.151 123.863 122.820 -0.180 0.000 2.302 250 A HA 0.695 5.014 4.320 -0.001 0.000 0.285 250 A C 0.307 177.938 177.584 0.078 0.000 1.105 250 A CA 0.056 52.071 52.037 -0.036 0.000 0.816 250 A CB 0.930 19.994 19.000 0.107 0.000 1.067 250 A HN 0.876 nan 8.150 nan 0.000 0.489 251 G N -0.354 108.617 108.800 0.285 0.000 2.641 251 G HA2 0.498 4.457 3.960 -0.001 0.000 0.239 251 G HA3 0.498 4.457 3.960 -0.001 0.000 0.239 251 G C -0.455 174.637 174.900 0.321 0.000 1.402 251 G CA -0.396 44.954 45.100 0.416 0.000 1.046 251 G HN 0.753 nan 8.290 nan 0.000 0.565 252 E N -0.501 119.881 120.200 0.304 0.000 2.283 252 E HA 0.521 4.871 4.350 -0.001 0.000 0.278 252 E C 0.434 177.208 176.600 0.290 0.000 1.027 252 E CA -0.187 56.382 56.400 0.281 0.000 0.843 252 E CB 1.210 31.038 29.700 0.213 0.000 1.062 252 E HN 0.607 nan 8.360 nan 0.000 0.401 253 A N 2.850 125.842 122.820 0.287 0.000 2.386 253 A HA 0.485 4.805 4.320 -0.001 0.000 0.248 253 A C -0.550 177.101 177.584 0.112 0.000 1.082 253 A CA -0.455 51.657 52.037 0.125 0.000 0.789 253 A CB 0.387 19.356 19.000 -0.051 0.000 1.025 253 A HN 0.444 nan 8.150 nan 0.000 0.490 254 V N -0.522 119.416 119.914 0.039 0.000 2.962 254 V HA 0.901 5.021 4.120 -0.001 0.000 0.313 254 V C 0.618 176.715 176.094 0.005 0.000 1.099 254 V CA -0.288 62.040 62.300 0.047 0.000 0.971 254 V CB 0.536 32.391 31.823 0.052 0.000 1.028 254 V HN 2.582 nan 8.190 nan 0.000 0.430 255 G N 0.385 109.202 108.800 0.029 0.000 2.894 255 G HA2 0.146 4.106 3.960 -0.001 0.000 0.247 255 G HA3 0.146 4.106 3.960 -0.001 0.000 0.247 255 G C -0.648 174.269 174.900 0.029 0.000 1.442 255 G CA 0.187 45.302 45.100 0.024 0.000 0.897 255 G HN 1.900 nan 8.290 nan 0.000 0.550 256 V N -0.266 119.668 119.914 0.033 0.000 3.040 256 V HA 0.819 4.939 4.120 -0.001 0.000 0.312 256 V C 1.323 177.441 176.094 0.039 0.000 1.115 256 V CA 1.329 63.654 62.300 0.042 0.000 0.998 256 V CB 1.446 33.287 31.823 0.031 0.000 1.042 256 V HN 3.099 nan 8.190 nan 0.000 0.433 257 G N 4.389 113.212 108.800 0.039 0.000 2.225 257 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.267 257 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.267 257 G C 0.004 174.942 174.900 0.063 0.000 1.024 257 G CA 0.780 45.886 45.100 0.010 0.000 0.784 257 G HN 0.611 nan 8.290 nan 0.000 0.507 258 M N -0.573 119.102 119.600 0.126 0.000 2.245 258 M HA 0.674 5.154 4.480 -0.001 0.000 0.292 258 M C 0.580 177.004 176.300 0.208 0.000 1.176 258 M CA -0.395 54.970 55.300 0.109 0.000 1.035 258 M CB 0.803 33.429 32.600 0.043 0.000 1.440 258 M HN 0.271 nan 8.290 nan 0.000 0.494 259 D N -0.908 119.544 120.400 0.087 0.000 3.435 259 D HA 0.149 4.789 4.640 -0.001 0.000 0.352 259 D C -1.267 174.951 176.300 -0.136 0.000 1.460 259 D CA -0.422 53.618 54.000 0.067 0.000 0.935 259 D CB 0.706 41.596 40.800 0.151 0.000 1.468 259 D HN 0.528 nan 8.370 nan 0.000 0.573 260 E N 0.503 120.588 120.200 -0.192 0.000 2.652 260 E HA 0.164 4.513 4.350 -0.001 0.000 0.255 260 E C -0.371 176.098 176.600 -0.218 0.000 0.952 260 E CA 0.747 56.961 56.400 -0.309 0.000 0.947 260 E CB -0.117 29.432 29.700 -0.252 0.000 0.912 260 E HN 0.293 nan 8.360 nan 0.000 0.489 261 N N 1.537 120.093 118.700 -0.240 0.000 2.329 261 N HA 0.436 5.175 4.740 -0.001 0.000 0.282 261 N C -1.368 174.052 175.510 -0.150 0.000 1.198 261 N CA -1.108 51.843 53.050 -0.165 0.000 0.790 261 N CB 1.624 40.010 38.487 -0.168 0.000 1.579 261 N HN 0.009 nan 8.380 nan 0.000 0.475 262 K N 0.288 120.639 120.400 -0.082 0.000 2.395 262 K HA 0.645 4.964 4.320 -0.001 0.000 0.247 262 K C -0.908 175.691 176.600 -0.001 0.000 0.973 262 K CA -0.598 55.663 56.287 -0.043 0.000 0.828 262 K CB 1.931 34.429 32.500 -0.002 0.000 1.272 262 K HN 0.888 nan 8.250 nan 0.000 0.439 263 T N -2.225 112.343 114.554 0.024 0.000 2.907 263 T HA 0.764 5.114 4.350 -0.001 0.000 0.292 263 T C -0.182 174.572 174.700 0.090 0.000 1.043 263 T CA -0.828 61.315 62.100 0.071 0.000 1.003 263 T CB 1.389 70.305 68.868 0.079 0.000 1.084 263 T HN 0.264 nan 8.240 nan 0.000 0.483 264 V N -0.635 119.349 119.914 0.116 0.000 2.925 264 V HA 0.656 4.776 4.120 -0.001 0.000 0.311 264 V C -0.531 175.630 176.094 0.110 0.000 1.104 264 V CA -1.190 61.178 62.300 0.113 0.000 0.954 264 V CB 1.791 33.697 31.823 0.138 0.000 1.022 264 V HN 1.114 nan 8.190 nan 0.000 0.427 265 E N 2.482 122.731 120.200 0.081 0.000 2.167 265 E HA 0.568 4.917 4.350 -0.001 0.000 0.284 265 E C -0.886 175.782 176.600 0.113 0.000 1.016 265 E CA -0.545 55.901 56.400 0.076 0.000 0.817 265 E CB 1.167 30.855 29.700 -0.019 0.000 1.080 265 E HN 0.658 nan 8.360 nan 0.000 0.397 266 L N 2.623 123.938 121.223 0.152 0.000 2.479 266 L HA 0.102 4.442 4.340 -0.001 0.000 0.249 266 L C 1.940 178.970 176.870 0.268 0.000 1.178 266 L CA -0.134 54.806 54.840 0.167 0.000 0.811 266 L CB 0.759 42.891 42.059 0.122 0.000 1.187 266 L HN 0.716 nan 8.230 nan 0.000 0.480 267 S N -0.634 115.193 115.700 0.211 0.000 2.440 267 S HA -0.181 4.289 4.470 -0.001 0.000 0.238 267 S C 0.919 175.565 174.600 0.077 0.000 1.010 267 S CA 1.288 59.609 58.200 0.202 0.000 0.972 267 S CB -0.511 62.743 63.200 0.091 0.000 0.774 267 S HN 0.839 nan 8.310 nan 0.000 0.501 268 D N -0.510 119.943 120.400 0.088 0.000 2.363 268 D HA 0.351 4.990 4.640 -0.001 0.000 0.214 268 D C 1.369 177.729 176.300 0.099 0.000 1.093 268 D CA 0.416 54.432 54.000 0.026 0.000 0.837 268 D CB -0.375 40.435 40.800 0.017 0.000 0.948 268 D HN 0.547 nan 8.370 nan 0.000 0.507 269 G N 0.455 109.416 108.800 0.268 0.000 2.217 269 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.246 269 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.246 269 G C 0.387 175.394 174.900 0.177 0.000 0.990 269 G CA -0.175 45.109 45.100 0.307 0.000 0.627 269 G HN 0.426 nan 8.290 nan 0.000 0.522 270 R N -0.046 120.532 120.500 0.129 0.000 2.643 270 R HA 0.419 4.759 4.340 -0.001 0.000 0.270 270 R C 0.046 176.418 176.300 0.120 0.000 1.061 270 R CA 0.026 56.182 56.100 0.093 0.000 1.107 270 R CB 1.057 31.399 30.300 0.071 0.000 0.999 270 R HN 0.096 nan 8.270 nan 0.000 0.460 271 V N 5.005 124.992 119.914 0.122 0.000 2.350 271 V HA 0.149 4.268 4.120 -0.001 0.000 0.276 271 V C -0.319 175.910 176.094 0.225 0.000 1.028 271 V CA -0.689 61.713 62.300 0.170 0.000 0.860 271 V CB 1.166 33.113 31.823 0.206 0.000 0.990 271 V HN 0.453 nan 8.190 nan 0.000 0.453 272 L N 6.479 127.822 121.223 0.200 0.000 2.290 272 L HA 0.547 4.887 4.340 -0.001 0.000 0.284 272 L C -0.510 176.481 176.870 0.201 0.000 1.078 272 L CA 0.202 55.164 54.840 0.203 0.000 0.815 272 L CB 1.097 43.252 42.059 0.159 0.000 1.162 272 L HN 0.657 nan 8.230 nan 0.000 0.435 273 L N 5.648 126.982 121.223 0.185 0.000 2.295 273 L HA 0.503 4.843 4.340 -0.001 0.000 0.285 273 L C -0.759 176.125 176.870 0.023 0.000 1.035 273 L CA -0.173 54.684 54.840 0.030 0.000 0.806 273 L CB 1.102 43.017 42.059 -0.240 0.000 1.214 273 L HN 0.853 nan 8.230 nan 0.000 0.426 274 N N 2.596 121.307 118.700 0.019 0.000 2.448 274 N HA 0.412 5.152 4.740 -0.001 0.000 0.279 274 N C -1.610 173.907 175.510 0.012 0.000 1.025 274 N CA -0.298 52.778 53.050 0.042 0.000 0.898 274 N CB 1.570 40.127 38.487 0.117 0.000 1.303 274 N HN 0.543 nan 8.380 nan 0.000 0.495 275 S N 1.943 117.642 115.700 -0.002 0.000 2.566 275 S HA 0.440 4.909 4.470 -0.001 0.000 0.298 275 S C -0.757 173.844 174.600 0.000 0.000 1.083 275 S CA -0.857 57.329 58.200 -0.023 0.000 0.978 275 S CB 0.977 64.148 63.200 -0.048 0.000 1.073 275 S HN 0.608 nan 8.310 nan 0.000 0.491 276 R N 1.948 122.437 120.500 -0.019 0.000 2.543 276 R HA 0.147 4.486 4.340 -0.001 0.000 0.277 276 R C -1.088 175.225 176.300 0.021 0.000 1.074 276 R CA -0.124 55.974 56.100 -0.003 0.000 1.076 276 R CB 0.406 30.693 30.300 -0.021 0.000 0.993 276 R HN 0.609 nan 8.270 nan 0.000 0.459 277 D N 2.118 122.535 120.400 0.029 0.000 2.396 277 D HA 0.042 4.682 4.640 -0.001 0.000 0.225 277 D C 0.750 177.069 176.300 0.031 0.000 1.121 277 D CA -0.224 53.795 54.000 0.033 0.000 0.853 277 D CB 1.391 42.211 40.800 0.034 0.000 1.043 277 D HN 0.559 nan 8.370 nan 0.000 0.500 278 S N 2.400 118.126 115.700 0.044 0.000 2.515 278 S HA -0.040 4.430 4.470 -0.001 0.000 0.231 278 S C 1.649 176.214 174.600 -0.059 0.000 0.987 278 S CA 0.427 58.633 58.200 0.010 0.000 0.936 278 S CB 0.071 63.276 63.200 0.009 0.000 0.766 278 S HN 0.398 nan 8.310 nan 0.000 0.528 279 A N 1.462 124.258 122.820 -0.041 0.000 2.251 279 A HA 0.344 4.664 4.320 -0.001 0.000 0.209 279 A C 0.834 178.404 177.584 -0.023 0.000 1.187 279 A CA -0.390 51.620 52.037 -0.045 0.000 0.823 279 A CB -0.547 18.435 19.000 -0.030 0.000 0.846 279 A HN 0.497 nan 8.150 nan 0.000 0.486 280 R N -0.375 120.116 120.500 -0.015 0.000 3.205 280 R HA -0.170 4.169 4.340 -0.001 0.000 0.249 280 R C 1.082 177.374 176.300 -0.014 0.000 0.937 280 R CA 0.515 56.605 56.100 -0.017 0.000 0.641 280 R CB -2.559 27.726 30.300 -0.025 0.000 1.114 280 R HN 0.767 nan 8.270 nan 0.000 0.451 281 S N -0.937 114.770 115.700 0.011 0.000 2.428 281 S HA 0.067 4.537 4.470 -0.001 0.000 0.230 281 S C 1.593 176.187 174.600 -0.010 0.000 1.014 281 S CA 0.745 58.978 58.200 0.055 0.000 0.957 281 S CB 0.645 63.930 63.200 0.141 0.000 0.784 281 S HN 1.104 nan 8.310 nan 0.000 0.499 282 G N -0.612 108.099 108.800 -0.148 0.000 2.163 282 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.213 282 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.213 282 G C -0.181 174.235 174.900 -0.808 0.000 0.991 282 G CA 0.092 44.928 45.100 -0.440 0.000 0.653 282 G HN 0.538 nan 8.290 nan 0.000 0.518 283 Y N -0.756 119.535 120.300 -0.014 0.000 2.677 283 Y HA 0.808 5.358 4.550 -0.000 0.000 0.334 283 Y C 0.479 176.368 175.900 -0.018 0.000 1.154 283 Y CA -1.403 56.683 58.100 -0.022 0.000 1.070 283 Y CB 0.728 39.171 38.460 -0.029 0.000 1.294 283 Y HN 0.004 nan 8.280 nan 0.000 0.475 284 R N 1.101 121.693 120.500 0.153 0.000 2.500 284 R HA 0.427 4.766 4.340 -0.001 0.000 0.275 284 R C -0.915 175.420 176.300 0.058 0.000 1.051 284 R CA -0.769 55.374 56.100 0.072 0.000 1.088 284 R CB 0.934 31.245 30.300 0.020 0.000 1.063 284 R HN 0.626 nan 8.270 nan 0.000 0.511 285 K N 0.826 121.248 120.400 0.036 0.000 2.123 285 K HA 0.472 4.792 4.320 -0.001 0.000 0.259 285 K C -0.446 176.161 176.600 0.013 0.000 0.960 285 K CA -0.720 55.582 56.287 0.025 0.000 0.872 285 K CB 1.800 34.312 32.500 0.020 0.000 1.079 285 K HN 0.437 nan 8.250 nan 0.000 0.440 286 V N -1.540 118.385 119.914 0.018 0.000 3.007 286 V HA 0.968 5.087 4.120 -0.001 0.000 0.311 286 V C -1.176 174.945 176.094 0.046 0.000 1.120 286 V CA -0.860 61.458 62.300 0.030 0.000 0.980 286 V CB 1.636 33.485 31.823 0.043 0.000 1.033 286 V HN 0.874 nan 8.190 nan 0.000 0.429 287 A N 2.475 125.338 122.820 0.072 0.000 2.606 287 A HA 0.997 5.316 4.320 -0.001 0.000 0.293 287 A C -0.799 176.934 177.584 0.250 0.000 1.082 287 A CA -0.180 51.940 52.037 0.138 0.000 0.685 287 A CB 2.030 21.104 19.000 0.124 0.000 1.284 287 A HN 2.350 nan 8.150 nan 0.000 0.408 288 V N -1.334 118.743 119.914 0.272 0.000 2.823 288 V HA 0.922 5.042 4.120 -0.001 0.000 0.312 288 V C -0.072 176.102 176.094 0.133 0.000 1.072 288 V CA -0.469 61.975 62.300 0.239 0.000 0.937 288 V CB 1.423 33.320 31.823 0.123 0.000 1.013 288 V HN 1.331 nan 8.190 nan 0.000 0.430 289 S N 1.267 116.940 115.700 -0.046 0.000 2.482 289 S HA 0.639 5.108 4.470 -0.001 0.000 0.303 289 S C 0.668 175.172 174.600 -0.159 0.000 1.091 289 S CA 0.231 58.233 58.200 -0.330 0.000 1.057 289 S CB 1.840 64.585 63.200 -0.759 0.000 1.031 289 S HN 1.351 nan 8.310 nan 0.000 0.485 290 T N 0.166 114.618 114.554 -0.169 0.000 3.044 290 T HA 0.261 4.610 4.350 -0.001 0.000 0.260 290 T C 0.134 174.748 174.700 -0.143 0.000 1.019 290 T CA -0.159 61.881 62.100 -0.099 0.000 0.921 290 T CB -0.307 68.525 68.868 -0.060 0.000 1.053 290 T HN 0.686 nan 8.240 nan 0.000 0.533 291 D N 0.642 120.859 120.400 -0.305 0.000 2.712 291 D HA 0.593 5.233 4.640 -0.001 0.000 0.252 291 D C -0.066 175.807 176.300 -0.713 0.000 1.123 291 D CA -1.064 52.715 54.000 -0.369 0.000 1.109 291 D CB 0.799 41.410 40.800 -0.316 0.000 1.313 291 D HN 0.147 nan 8.370 nan 0.000 0.629 292 G N -2.256 106.112 108.800 -0.720 0.000 3.317 292 G HA2 0.539 4.499 3.960 -0.001 0.000 0.308 292 G HA3 0.539 4.499 3.960 -0.001 0.000 0.308 292 G C -0.120 174.256 174.900 -0.873 0.000 1.535 292 G CA -0.324 44.040 45.100 -1.227 0.000 0.788 292 G HN 1.047 nan 8.290 nan 0.000 0.478 293 G N 1.415 109.841 108.800 -0.623 0.000 3.181 293 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.230 293 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.230 293 G C -0.036 174.753 174.900 -0.185 0.000 2.154 293 G CA -0.974 44.007 45.100 -0.200 0.000 1.020 293 G HN 0.703 nan 8.290 nan 0.000 0.494 294 H N 1.515 120.449 119.070 -0.227 0.000 3.221 294 H HA 0.105 4.661 4.556 -0.001 0.000 0.272 294 H C 0.723 176.042 175.328 -0.015 0.000 0.865 294 H CA 1.999 57.954 56.048 -0.155 0.000 1.419 294 H CB 0.296 29.995 29.762 -0.105 0.000 1.377 294 H HN 0.658 nan 8.280 nan 0.000 0.535 295 S N 3.688 119.303 115.700 -0.141 0.000 2.540 295 S HA 0.579 5.048 4.470 -0.001 0.000 0.275 295 S C -1.218 173.278 174.600 -0.173 0.000 1.123 295 S CA -0.994 57.205 58.200 -0.000 0.000 0.907 295 S CB 1.867 65.061 63.200 -0.011 0.000 1.081 295 S HN 0.394 nan 8.310 nan 0.000 0.476 296 Y N 0.554 120.895 120.300 0.069 0.000 2.549 296 Y HA 0.744 5.293 4.550 -0.001 0.000 0.339 296 Y C 1.170 177.098 175.900 0.047 0.000 1.053 296 Y CA -0.210 57.928 58.100 0.064 0.000 1.105 296 Y CB 1.654 40.160 38.460 0.075 0.000 1.258 296 Y HN 1.057 nan 8.280 nan 0.000 0.478 297 G N 1.037 109.945 108.800 0.181 0.000 2.508 297 G HA2 0.385 4.344 3.960 -0.001 0.000 0.278 297 G HA3 0.385 4.344 3.960 -0.001 0.000 0.278 297 G C -2.466 172.505 174.900 0.119 0.000 1.389 297 G CA -1.283 43.885 45.100 0.113 0.000 1.050 297 G HN 0.421 nan 8.290 nan 0.000 0.522 298 P HA 0.184 nan 4.420 nan 0.000 0.269 298 P C -0.498 176.841 177.300 0.066 0.000 1.209 298 P CA -0.161 62.979 63.100 0.066 0.000 0.776 298 P CB 1.144 32.873 31.700 0.047 0.000 0.876 299 V N 2.928 122.873 119.914 0.052 0.000 2.465 299 V HA 0.424 4.543 4.120 -0.001 0.000 0.279 299 V C 0.899 177.011 176.094 0.029 0.000 1.045 299 V CA 0.099 62.423 62.300 0.039 0.000 0.938 299 V CB 1.021 32.861 31.823 0.027 0.000 0.986 299 V HN 0.872 nan 8.190 nan 0.000 0.467 300 T N 2.035 116.604 114.554 0.025 0.000 2.883 300 T HA 0.737 5.086 4.350 -0.001 0.000 0.296 300 T C -0.755 173.950 174.700 0.008 0.000 1.117 300 T CA -0.739 61.368 62.100 0.013 0.000 1.006 300 T CB 1.708 70.581 68.868 0.008 0.000 1.191 300 T HN 0.189 nan 8.240 nan 0.000 0.508 301 I N 2.121 122.688 120.570 -0.005 0.000 2.395 301 I HA 0.297 4.466 4.170 -0.001 0.000 0.289 301 I C 0.041 176.119 176.117 -0.065 0.000 1.023 301 I CA 0.007 61.302 61.300 -0.009 0.000 1.350 301 I CB 0.919 38.921 38.000 0.003 0.000 1.409 301 I HN 0.662 nan 8.210 nan 0.000 0.507 302 D N 6.594 126.963 120.400 -0.052 0.000 2.443 302 D HA 0.163 4.803 4.640 -0.001 0.000 0.221 302 D C 0.850 177.040 176.300 -0.183 0.000 1.097 302 D CA -0.382 53.569 54.000 -0.083 0.000 0.865 302 D CB 0.794 41.569 40.800 -0.042 0.000 1.034 302 D HN 0.314 nan 8.370 nan 0.000 0.511 303 R N 2.496 122.793 120.500 -0.338 0.000 2.328 303 R HA -0.048 4.292 4.340 -0.001 0.000 0.207 303 R C 0.403 176.594 176.300 -0.182 0.000 1.056 303 R CA 0.375 56.120 56.100 -0.592 0.000 1.016 303 R CB 0.139 30.124 30.300 -0.526 0.000 0.872 303 R HN 0.474 nan 8.270 nan 0.000 0.471 304 D N 0.531 120.890 120.400 -0.069 0.000 2.347 304 D HA 0.030 4.669 4.640 -0.001 0.000 0.213 304 D C 0.481 176.741 176.300 -0.066 0.000 0.985 304 D CA 0.579 54.578 54.000 -0.003 0.000 0.879 304 D CB 0.365 41.226 40.800 0.101 0.000 0.919 304 D HN 0.160 nan 8.370 nan 0.000 0.526 305 L N 2.897 124.081 121.223 -0.064 0.000 2.506 305 L HA 0.287 4.626 4.340 -0.001 0.000 0.247 305 L C -2.376 174.559 176.870 0.107 0.000 1.141 305 L CA -1.672 53.093 54.840 -0.126 0.000 0.973 305 L CB 1.319 43.124 42.059 -0.423 0.000 1.319 305 L HN -0.300 nan 8.230 nan 0.000 0.455 306 P HA 0.039 nan 4.420 nan 0.000 0.269 306 P C -0.921 176.342 177.300 -0.063 0.000 1.209 306 P CA 0.202 63.272 63.100 -0.051 0.000 0.776 306 P CB 1.623 33.283 31.700 -0.067 0.000 0.876 307 D N 2.403 122.717 120.400 -0.144 0.000 2.836 307 D HA 0.132 4.772 4.640 -0.001 0.000 0.215 307 D C -2.478 173.761 176.300 -0.102 0.000 1.255 307 D CA -1.623 52.335 54.000 -0.069 0.000 0.822 307 D CB 2.748 43.549 40.800 0.000 0.000 1.656 307 D HN 0.121 nan 8.370 nan 0.000 0.511 308 P HA 0.143 nan 4.420 nan 0.000 0.254 308 P C -0.787 176.496 177.300 -0.028 0.000 1.494 308 P CA 0.213 63.277 63.100 -0.060 0.000 0.961 308 P CB -0.151 31.521 31.700 -0.045 0.000 1.493 309 T N -0.538 114.005 114.554 -0.019 0.000 3.069 309 T HA -0.135 4.214 4.350 -0.001 0.000 0.450 309 T C -0.522 174.198 174.700 0.033 0.000 0.775 309 T CA 0.534 62.640 62.100 0.009 0.000 2.370 309 T CB -2.048 66.828 68.868 0.013 0.000 1.690 309 T HN 0.574 nan 8.240 nan 0.000 0.649 310 N N 1.169 119.876 118.700 0.012 0.000 2.961 310 N HA 0.250 4.989 4.740 -0.001 0.000 0.245 310 N C -0.906 174.520 175.510 -0.141 0.000 1.404 310 N CA -0.817 52.242 53.050 0.015 0.000 0.880 310 N CB 1.467 39.982 38.487 0.048 0.000 1.461 310 N HN 0.481 nan 8.380 nan 0.000 0.510 311 N N -0.185 118.258 118.700 -0.427 0.000 2.444 311 N HA 0.509 5.249 4.740 -0.001 0.000 0.255 311 N C -0.953 174.343 175.510 -0.357 0.000 1.255 311 N CA -0.042 52.651 53.050 -0.595 0.000 0.933 311 N CB 0.854 38.529 38.487 -1.353 0.000 1.143 311 N HN 0.586 nan 8.380 nan 0.000 0.453 312 A N 0.618 123.261 122.820 -0.295 0.000 2.588 312 A HA 0.614 4.934 4.320 -0.001 0.000 0.290 312 A C -1.397 176.018 177.584 -0.281 0.000 1.136 312 A CA -0.592 51.245 52.037 -0.333 0.000 0.681 312 A CB 1.560 20.328 19.000 -0.387 0.000 1.282 312 A HN 0.497 nan 8.150 nan 0.000 0.421 313 S N -0.579 114.897 115.700 -0.375 0.000 2.541 313 S HA 0.755 5.224 4.470 -0.001 0.000 0.280 313 S C -1.517 173.016 174.600 -0.110 0.000 1.112 313 S CA -0.382 57.715 58.200 -0.171 0.000 0.925 313 S CB 1.008 64.146 63.200 -0.103 0.000 1.067 313 S HN 1.324 nan 8.310 nan 0.000 0.479 314 I N 6.018 126.641 120.570 0.089 0.000 2.512 314 I HA 0.648 4.818 4.170 -0.001 0.000 0.287 314 I C -1.130 175.096 176.117 0.180 0.000 1.069 314 I CA -0.899 60.548 61.300 0.245 0.000 1.056 314 I CB 1.133 39.362 38.000 0.382 0.000 1.229 314 I HN 0.833 nan 8.210 nan 0.000 0.429 315 I N 3.965 124.642 120.570 0.178 0.000 3.174 315 I HA 0.615 4.785 4.170 -0.001 0.000 0.313 315 I C -1.039 175.153 176.117 0.124 0.000 1.155 315 I CA -1.107 60.274 61.300 0.136 0.000 0.977 315 I CB 1.893 39.962 38.000 0.115 0.000 1.248 315 I HN 0.380 nan 8.210 nan 0.000 0.453 316 R N 2.095 122.658 120.500 0.104 0.000 2.265 316 R HA 0.428 4.768 4.340 -0.001 0.000 0.314 316 R C 0.729 177.051 176.300 0.037 0.000 1.053 316 R CA 0.235 56.389 56.100 0.090 0.000 0.931 316 R CB 1.621 31.984 30.300 0.104 0.000 1.024 316 R HN 0.966 nan 8.270 nan 0.000 0.457 317 A N 3.798 126.572 122.820 -0.077 0.000 1.969 317 A HA -0.064 4.255 4.320 -0.001 0.000 0.218 317 A C 0.295 177.570 177.584 -0.514 0.000 1.169 317 A CA 1.157 52.983 52.037 -0.351 0.000 0.635 317 A CB 0.019 18.652 19.000 -0.611 0.000 0.810 317 A HN 0.533 nan 8.150 nan 0.000 0.445 318 F N -0.442 119.620 119.950 0.186 0.000 2.564 318 F HA 0.334 4.860 4.527 -0.001 0.000 0.361 318 F C -1.715 174.157 175.800 0.121 0.000 1.161 318 F CA -2.377 55.713 58.000 0.149 0.000 1.198 318 F CB 1.350 40.426 39.000 0.127 0.000 1.424 318 F HN 0.040 nan 8.300 nan 0.000 0.517 319 P HA -0.118 nan 4.420 nan 0.000 0.225 319 P C 0.307 177.680 177.300 0.121 0.000 1.148 319 P CA 1.332 64.510 63.100 0.130 0.000 0.779 319 P CB 0.501 32.257 31.700 0.094 0.000 0.780 320 D N -0.543 119.954 120.400 0.162 0.000 2.369 320 D HA 0.184 4.823 4.640 -0.001 0.000 0.211 320 D C 0.887 177.289 176.300 0.170 0.000 1.077 320 D CA -0.052 54.031 54.000 0.140 0.000 0.842 320 D CB 0.172 41.040 40.800 0.114 0.000 0.947 320 D HN 0.114 nan 8.370 nan 0.000 0.509 321 A N 2.633 125.581 122.820 0.213 0.000 2.445 321 A HA 0.342 4.662 4.320 -0.001 0.000 0.242 321 A C -2.030 175.699 177.584 0.241 0.000 1.075 321 A CA -0.775 51.376 52.037 0.189 0.000 0.777 321 A CB -0.034 19.081 19.000 0.191 0.000 1.013 321 A HN -0.058 nan 8.150 nan 0.000 0.493 322 P HA 0.311 nan 4.420 nan 0.000 0.274 322 P C -0.114 177.166 177.300 -0.033 0.000 1.231 322 P CA 0.014 63.173 63.100 0.100 0.000 0.790 322 P CB 0.739 32.456 31.700 0.028 0.000 0.951 323 A N 1.871 124.458 122.820 -0.388 0.000 2.565 323 A HA 0.358 4.678 4.320 -0.001 0.000 0.237 323 A C 1.575 178.983 177.584 -0.293 0.000 1.053 323 A CA 0.903 52.492 52.037 -0.747 0.000 0.755 323 A CB -1.528 16.831 19.000 -1.069 0.000 0.980 323 A HN 0.929 nan 8.150 nan 0.000 0.506 324 G N 1.415 110.100 108.800 -0.192 0.000 2.205 324 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.261 324 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.261 324 G C 0.686 175.557 174.900 -0.048 0.000 0.980 324 G CA 1.107 46.150 45.100 -0.095 0.000 0.632 324 G HN 2.199 nan 8.290 nan 0.000 0.533 325 S N 0.058 115.738 115.700 -0.033 0.000 2.614 325 S HA 0.728 5.197 4.470 -0.001 0.000 0.265 325 S C 1.756 176.359 174.600 0.006 0.000 1.303 325 S CA 0.470 58.662 58.200 -0.014 0.000 1.000 325 S CB 1.714 64.909 63.200 -0.008 0.000 0.935 325 S HN 1.667 nan 8.310 nan 0.000 0.551 326 A N 1.687 124.503 122.820 -0.006 0.000 1.908 326 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 326 A C 2.336 179.940 177.584 0.032 0.000 1.181 326 A CA 1.385 53.423 52.037 0.003 0.000 0.627 326 A CB -0.745 18.247 19.000 -0.013 0.000 0.818 326 A HN 0.904 nan 8.150 nan 0.000 0.445 327 R N -0.612 119.890 120.500 0.003 0.000 2.148 327 R HA -0.010 4.330 4.340 -0.001 0.000 0.227 327 R C 2.224 178.666 176.300 0.236 0.000 1.103 327 R CA 0.948 57.072 56.100 0.039 0.000 0.983 327 R CB -0.368 29.775 30.300 -0.260 0.000 0.874 327 R HN 0.507 nan 8.270 nan 0.000 0.451 328 A N 1.138 124.062 122.820 0.172 0.000 2.119 328 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 328 A C 1.519 179.214 177.584 0.186 0.000 1.153 328 A CA 0.990 53.161 52.037 0.225 0.000 0.692 328 A CB -0.042 19.094 19.000 0.226 0.000 0.799 328 A HN 0.180 nan 8.150 nan 0.000 0.458 329 K N -0.254 120.225 120.400 0.131 0.000 2.426 329 K HA 0.157 4.477 4.320 -0.001 0.000 0.193 329 K C -0.378 176.256 176.600 0.056 0.000 1.028 329 K CA -0.017 56.314 56.287 0.074 0.000 1.047 329 K CB 0.359 32.877 32.500 0.030 0.000 0.821 329 K HN 0.284 nan 8.250 nan 0.000 0.513 330 V N 2.814 122.809 119.914 0.133 0.000 2.432 330 V HA 0.124 4.243 4.120 -0.001 0.000 0.271 330 V C -0.273 175.863 176.094 0.071 0.000 1.046 330 V CA -0.415 61.955 62.300 0.116 0.000 0.945 330 V CB 0.661 32.644 31.823 0.267 0.000 0.992 330 V HN 0.041 nan 8.190 nan 0.000 0.471 331 L N 6.003 127.240 121.223 0.022 0.000 2.354 331 L HA 0.662 5.002 4.340 -0.001 0.000 0.269 331 L C -0.314 176.690 176.870 0.222 0.000 1.005 331 L CA -0.375 54.530 54.840 0.109 0.000 0.819 331 L CB 1.935 44.064 42.059 0.117 0.000 1.311 331 L HN 0.474 nan 8.230 nan 0.000 0.423 332 L N 2.531 123.902 121.223 0.246 0.000 2.362 332 L HA 0.568 4.908 4.340 -0.001 0.000 0.271 332 L C -1.348 175.740 176.870 0.363 0.000 1.002 332 L CA -0.583 54.409 54.840 0.255 0.000 0.818 332 L CB 2.128 44.199 42.059 0.020 0.000 1.298 332 L HN 0.419 nan 8.230 nan 0.000 0.420 333 F N 2.052 122.074 119.950 0.119 0.000 2.561 333 F HA 0.578 5.105 4.527 -0.000 0.000 0.313 333 F C -0.470 175.300 175.800 -0.050 0.000 1.126 333 F CA -0.431 57.541 58.000 -0.046 0.000 0.918 333 F CB 2.041 40.802 39.000 -0.398 0.000 1.199 333 F HN 0.409 nan 8.300 nan 0.000 0.444 334 S N 6.152 121.473 115.700 -0.633 0.000 2.502 334 S HA 0.840 5.310 4.470 -0.001 0.000 0.304 334 S C -1.215 172.995 174.600 -0.650 0.000 1.097 334 S CA -0.533 57.416 58.200 -0.419 0.000 1.045 334 S CB 1.989 65.067 63.200 -0.204 0.000 1.019 334 S HN 0.991 nan 8.310 nan 0.000 0.481 335 N N 0.747 119.247 118.700 -0.333 0.000 3.339 335 N HA 0.425 5.164 4.740 -0.001 0.000 0.275 335 N C -1.792 173.656 175.510 -0.104 0.000 1.514 335 N CA -0.671 52.225 53.050 -0.256 0.000 0.879 335 N CB 1.035 39.319 38.487 -0.338 0.000 1.557 335 N HN 0.916 nan 8.380 nan 0.000 0.524 336 A N -0.288 122.482 122.820 -0.083 0.000 2.252 336 A HA 0.722 5.042 4.320 -0.001 0.000 0.309 336 A C 0.953 178.495 177.584 -0.070 0.000 1.285 336 A CA -0.005 51.977 52.037 -0.092 0.000 0.900 336 A CB 0.059 19.024 19.000 -0.059 0.000 1.157 336 A HN 0.956 nan 8.150 nan 0.000 0.536 337 A N 2.332 125.101 122.820 -0.084 0.000 2.119 337 A HA 0.218 4.538 4.320 -0.001 0.000 0.216 337 A C 1.531 179.072 177.584 -0.072 0.000 1.152 337 A CA 1.028 53.030 52.037 -0.060 0.000 0.708 337 A CB -0.346 18.620 19.000 -0.057 0.000 0.805 337 A HN 1.034 nan 8.150 nan 0.000 0.460 338 S N -0.400 115.251 115.700 -0.081 0.000 2.549 338 S HA 0.116 4.586 4.470 -0.001 0.000 0.283 338 S C 0.751 175.297 174.600 -0.090 0.000 1.320 338 S CA -0.182 57.971 58.200 -0.079 0.000 1.058 338 S CB 0.609 63.766 63.200 -0.072 0.000 0.882 338 S HN 0.551 nan 8.310 nan 0.000 0.498 339 Q N 2.002 121.739 119.800 -0.106 0.000 2.392 339 Q HA 0.038 4.377 4.340 -0.001 0.000 0.203 339 Q C 1.584 177.525 176.000 -0.099 0.000 0.917 339 Q CA 0.939 56.659 55.803 -0.138 0.000 0.939 339 Q CB 0.263 28.885 28.738 -0.194 0.000 1.063 339 Q HN 0.979 nan 8.270 nan 0.000 0.516 340 T N -3.293 111.218 114.554 -0.073 0.000 2.990 340 T HA 0.140 4.489 4.350 -0.001 0.000 0.249 340 T C 0.806 175.481 174.700 -0.042 0.000 1.039 340 T CA 0.286 62.353 62.100 -0.054 0.000 1.036 340 T CB 0.468 69.309 68.868 -0.046 0.000 0.994 340 T HN 0.130 nan 8.240 nan 0.000 0.489 341 S N 0.179 115.853 115.700 -0.043 0.000 2.625 341 S HA 0.540 5.009 4.470 -0.001 0.000 0.271 341 S C -1.257 173.325 174.600 -0.031 0.000 1.161 341 S CA -1.281 56.900 58.200 -0.031 0.000 0.820 341 S CB 1.389 64.571 63.200 -0.030 0.000 1.137 341 S HN 0.222 nan 8.310 nan 0.000 0.470 342 R N 1.809 122.300 120.500 -0.015 0.000 2.891 342 R HA 0.480 4.819 4.340 -0.001 0.000 0.248 342 R C -0.094 176.191 176.300 -0.025 0.000 1.439 342 R CA 0.051 56.148 56.100 -0.005 0.000 1.288 342 R CB -0.233 30.085 30.300 0.029 0.000 1.212 342 R HN 0.814 nan 8.270 nan 0.000 0.605 343 S N -0.461 115.205 115.700 -0.057 0.000 2.727 343 S HA 0.177 4.646 4.470 -0.001 0.000 0.278 343 S C -0.349 174.169 174.600 -0.137 0.000 1.186 343 S CA -1.054 57.092 58.200 -0.089 0.000 0.836 343 S CB 1.660 64.818 63.200 -0.070 0.000 1.186 343 S HN 0.498 nan 8.310 nan 0.000 0.499 344 Q N -0.220 119.471 119.800 -0.181 0.000 2.459 344 Q HA -0.132 4.208 4.340 -0.001 0.000 0.314 344 Q C 0.239 176.050 176.000 -0.315 0.000 1.432 344 Q CA 0.382 56.054 55.803 -0.218 0.000 0.823 344 Q CB -1.798 26.854 28.738 -0.144 0.000 1.124 344 Q HN 1.266 nan 8.270 nan 0.000 0.392 345 G N 1.542 110.018 108.800 -0.540 0.000 2.299 345 G HA2 0.321 4.281 3.960 -0.001 0.000 0.256 345 G HA3 0.321 4.281 3.960 -0.001 0.000 0.256 345 G C -0.028 174.337 174.900 -0.891 0.000 1.259 345 G CA 0.790 45.370 45.100 -0.866 0.000 0.943 345 G HN 0.333 nan 8.290 nan 0.000 0.479 346 T N 0.892 115.284 114.554 -0.271 0.000 2.903 346 T HA 0.625 4.974 4.350 -0.001 0.000 0.299 346 T C -0.543 174.266 174.700 0.183 0.000 1.093 346 T CA -0.826 61.277 62.100 0.005 0.000 1.002 346 T CB 1.332 70.166 68.868 -0.057 0.000 1.127 346 T HN 0.324 nan 8.240 nan 0.000 0.488 347 I N 2.825 123.505 120.570 0.183 0.000 2.377 347 I HA 0.556 4.726 4.170 -0.001 0.000 0.293 347 I C 0.521 176.703 176.117 0.108 0.000 0.987 347 I CA -0.774 60.584 61.300 0.098 0.000 1.185 347 I CB 1.573 39.556 38.000 -0.029 0.000 1.341 347 I HN 0.517 nan 8.210 nan 0.000 0.455 348 R N 6.012 126.615 120.500 0.173 0.000 2.778 348 R HA 0.747 5.087 4.340 -0.001 0.000 0.277 348 R C -0.916 175.638 176.300 0.423 0.000 0.977 348 R CA -0.904 55.341 56.100 0.241 0.000 0.950 348 R CB 2.503 32.878 30.300 0.125 0.000 1.165 348 R HN 0.553 nan 8.270 nan 0.000 0.474 349 M N 1.299 121.170 119.600 0.452 0.000 2.326 349 M HA 0.350 4.830 4.480 -0.001 0.000 0.306 349 M C -1.290 175.152 176.300 0.236 0.000 1.054 349 M CA -0.339 55.181 55.300 0.367 0.000 0.922 349 M CB 2.214 34.924 32.600 0.183 0.000 1.632 349 M HN 0.585 nan 8.290 nan 0.000 0.436 350 S N 2.548 118.184 115.700 -0.107 0.000 2.532 350 S HA 0.599 5.068 4.470 -0.001 0.000 0.301 350 S C -0.413 174.041 174.600 -0.243 0.000 1.083 350 S CA -0.642 57.252 58.200 -0.511 0.000 1.025 350 S CB 1.577 63.938 63.200 -1.398 0.000 1.056 350 S HN 0.934 nan 8.310 nan 0.000 0.494 351 C N 2.404 121.588 119.300 -0.193 0.000 3.115 351 C HA 0.419 4.879 4.460 -0.001 0.000 0.277 351 C C -0.121 174.813 174.990 -0.093 0.000 1.460 351 C CA -0.493 58.477 59.018 -0.079 0.000 1.789 351 C CB -1.308 26.416 27.740 -0.025 0.000 2.674 351 C HN 0.902 nan 8.230 nan 0.000 0.582 352 D N -1.338 118.960 120.400 -0.170 0.000 2.992 352 D HA 0.120 4.759 4.640 -0.001 0.000 0.372 352 D C -0.080 176.130 176.300 -0.150 0.000 1.374 352 D CA -0.207 53.714 54.000 -0.132 0.000 0.769 352 D CB -0.651 40.073 40.800 -0.125 0.000 1.215 352 D HN 0.042 nan 8.370 nan 0.000 0.473 353 D N 0.378 120.700 120.400 -0.131 0.000 2.911 353 D HA -0.158 4.482 4.640 -0.001 0.000 0.227 353 D C 1.244 177.458 176.300 -0.143 0.000 1.164 353 D CA 1.773 55.719 54.000 -0.089 0.000 0.782 353 D CB -1.315 39.472 40.800 -0.022 0.000 1.094 353 D HN 0.842 nan 8.370 nan 0.000 0.425 354 G N -0.138 108.441 108.800 -0.369 0.000 2.157 354 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.239 354 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.239 354 G C 0.696 175.404 174.900 -0.320 0.000 0.982 354 G CA 0.917 45.742 45.100 -0.457 0.000 0.650 354 G HN 0.516 nan 8.290 nan 0.000 0.527 355 Q N 0.182 119.812 119.800 -0.283 0.000 2.049 355 Q HA 0.104 4.444 4.340 -0.001 0.000 0.198 355 Q C 1.569 177.466 176.000 -0.172 0.000 0.971 355 Q CA 1.936 57.648 55.803 -0.151 0.000 0.833 355 Q CB 0.044 28.715 28.738 -0.111 0.000 0.896 355 Q HN 0.825 nan 8.270 nan 0.000 0.434 356 T N -3.790 110.571 114.554 -0.321 0.000 2.916 356 T HA 0.486 4.836 4.350 -0.001 0.000 0.292 356 T C -1.382 173.026 174.700 -0.487 0.000 1.055 356 T CA -0.837 61.130 62.100 -0.222 0.000 1.009 356 T CB 0.902 69.705 68.868 -0.108 0.000 1.118 356 T HN 0.293 nan 8.240 nan 0.000 0.497 357 W N 2.038 123.323 121.300 -0.024 0.000 2.104 357 W HA 0.370 5.030 4.660 -0.001 0.000 0.291 357 W C -1.845 174.670 176.519 -0.007 0.000 0.936 357 W CA -1.823 55.513 57.345 -0.016 0.000 1.856 357 W CB 1.213 30.653 29.460 -0.034 0.000 2.036 357 W HN 0.624 nan 8.180 nan 0.000 0.393 358 P HA -0.026 nan 4.420 nan 0.000 0.226 358 P C 0.180 177.527 177.300 0.077 0.000 1.153 358 P CA 1.027 64.173 63.100 0.077 0.000 0.777 358 P CB 0.994 32.711 31.700 0.029 0.000 0.794 359 V N 0.592 120.570 119.914 0.107 0.000 2.495 359 V HA 0.508 4.628 4.120 -0.001 0.000 0.298 359 V C 0.034 176.183 176.094 0.092 0.000 1.031 359 V CA -0.464 61.881 62.300 0.075 0.000 0.871 359 V CB 1.742 33.605 31.823 0.067 0.000 0.988 359 V HN 0.250 nan 8.190 nan 0.000 0.432 360 S N 3.560 119.276 115.700 0.026 0.000 2.537 360 S HA 0.846 5.315 4.470 -0.001 0.000 0.270 360 S C -1.224 173.324 174.600 -0.086 0.000 1.142 360 S CA -0.933 57.271 58.200 0.007 0.000 0.870 360 S CB 2.363 65.577 63.200 0.024 0.000 1.112 360 S HN 0.768 nan 8.310 nan 0.000 0.466 361 K N 1.559 121.889 120.400 -0.117 0.000 2.525 361 K HA 0.586 4.906 4.320 -0.001 0.000 0.254 361 K C -1.681 174.853 176.600 -0.110 0.000 0.934 361 K CA -0.771 55.373 56.287 -0.239 0.000 0.802 361 K CB 2.154 34.289 32.500 -0.607 0.000 1.295 361 K HN 0.624 nan 8.250 nan 0.000 0.433 362 V N 6.074 125.915 119.914 -0.122 0.000 2.488 362 V HA 0.155 4.274 4.120 -0.001 0.000 0.277 362 V C 0.610 176.701 176.094 -0.006 0.000 1.046 362 V CA -0.055 62.175 62.300 -0.116 0.000 0.986 362 V CB 0.323 32.050 31.823 -0.160 0.000 0.989 362 V HN 0.801 nan 8.190 nan 0.000 0.475 363 F N 2.013 121.932 119.950 -0.052 0.000 2.717 363 F HA 0.489 5.016 4.527 -0.001 0.000 0.295 363 F C 0.703 176.380 175.800 -0.204 0.000 1.117 363 F CA -0.271 57.640 58.000 -0.149 0.000 1.361 363 F CB 0.331 39.204 39.000 -0.212 0.000 1.112 363 F HN 0.469 nan 8.300 nan 0.000 0.594 364 Q N 1.267 120.636 119.800 -0.720 0.000 2.650 364 Q HA 0.399 4.739 4.340 -0.001 0.000 0.239 364 Q C -2.507 173.276 176.000 -0.362 0.000 0.893 364 Q CA -2.160 53.369 55.803 -0.457 0.000 0.755 364 Q CB 1.729 30.137 28.738 -0.550 0.000 1.349 364 Q HN -0.104 nan 8.270 nan 0.000 0.461 365 P HA -0.027 nan 4.420 nan 0.000 0.218 365 P C 0.379 177.605 177.300 -0.123 0.000 1.149 365 P CA 1.315 64.325 63.100 -0.150 0.000 0.817 365 P CB 0.384 32.029 31.700 -0.092 0.000 0.785 366 G N -0.867 107.877 108.800 -0.093 0.000 2.666 366 G HA2 0.171 4.130 3.960 -0.001 0.000 0.207 366 G HA3 0.171 4.130 3.960 -0.001 0.000 0.207 366 G C -0.400 174.465 174.900 -0.058 0.000 1.481 366 G CA -0.232 44.834 45.100 -0.057 0.000 1.071 366 G HN 0.064 nan 8.290 nan 0.000 0.572 367 S N 0.094 115.784 115.700 -0.016 0.000 2.575 367 S HA 0.338 4.807 4.470 -0.001 0.000 0.295 367 S C -0.077 174.542 174.600 0.032 0.000 1.267 367 S CA 0.317 58.519 58.200 0.004 0.000 1.074 367 S CB -0.239 62.974 63.200 0.021 0.000 0.829 367 S HN 0.406 nan 8.310 nan 0.000 0.497 368 M N 4.952 124.563 119.600 0.019 0.000 2.265 368 M HA 0.260 4.739 4.480 -0.001 0.000 0.251 368 M C -0.404 175.945 176.300 0.082 0.000 1.005 368 M CA -0.226 55.111 55.300 0.061 0.000 0.998 368 M CB 1.204 33.727 32.600 -0.127 0.000 2.070 368 M HN 0.707 nan 8.290 nan 0.000 0.476 369 S N 3.061 118.855 115.700 0.157 0.000 2.790 369 S HA 0.431 4.901 4.470 -0.001 0.000 0.162 369 S C -0.509 174.288 174.600 0.328 0.000 0.792 369 S CA 0.089 58.407 58.200 0.197 0.000 1.089 369 S CB 0.118 63.396 63.200 0.130 0.000 0.666 369 S HN 0.614 nan 8.310 nan 0.000 0.521 370 Y N 2.768 123.111 120.300 0.072 0.000 2.336 370 Y HA 0.503 5.053 4.550 -0.000 0.000 0.331 370 Y C 0.746 176.714 175.900 0.113 0.000 1.211 370 Y CA -1.389 56.749 58.100 0.064 0.000 1.346 370 Y CB 0.336 38.826 38.460 0.050 0.000 1.271 370 Y HN 0.378 nan 8.280 nan 0.000 0.538 371 S N 0.445 116.255 115.700 0.183 0.000 2.536 371 S HA 0.859 5.329 4.470 -0.001 0.000 0.271 371 S C -0.999 173.631 174.600 0.050 0.000 1.134 371 S CA -0.886 57.403 58.200 0.149 0.000 0.897 371 S CB 1.946 65.217 63.200 0.119 0.000 1.094 371 S HN 0.505 nan 8.310 nan 0.000 0.473 372 T N 1.872 116.472 114.554 0.078 0.000 2.906 372 T HA 0.722 5.072 4.350 -0.001 0.000 0.295 372 T C -0.721 174.028 174.700 0.082 0.000 1.061 372 T CA -0.788 61.352 62.100 0.068 0.000 1.000 372 T CB 1.169 70.109 68.868 0.120 0.000 1.103 372 T HN 0.670 nan 8.240 nan 0.000 0.486 373 L N 1.677 122.950 121.223 0.085 0.000 2.341 373 L HA 0.844 5.184 4.340 -0.001 0.000 0.267 373 L C -0.229 176.728 176.870 0.145 0.000 1.009 373 L CA -0.791 54.121 54.840 0.120 0.000 0.819 373 L CB 2.552 44.677 42.059 0.110 0.000 1.323 373 L HN 0.893 nan 8.230 nan 0.000 0.425 374 T N -0.683 113.971 114.554 0.166 0.000 2.868 374 T HA 0.689 5.038 4.350 -0.001 0.000 0.306 374 T C -0.773 174.022 174.700 0.159 0.000 1.224 374 T CA -0.779 61.412 62.100 0.152 0.000 1.012 374 T CB 1.876 70.820 68.868 0.127 0.000 1.221 374 T HN 0.616 nan 8.240 nan 0.000 0.499 375 A N 2.238 125.128 122.820 0.118 0.000 2.289 375 A HA 0.730 5.050 4.320 -0.001 0.000 0.298 375 A C -0.078 177.446 177.584 -0.099 0.000 1.208 375 A CA -0.728 51.308 52.037 -0.001 0.000 0.845 375 A CB -0.125 18.904 19.000 0.049 0.000 1.125 375 A HN 0.792 nan 8.150 nan 0.000 0.517 376 L N 4.054 125.140 121.223 -0.229 0.000 2.379 376 L HA 0.376 4.715 4.340 -0.001 0.000 0.269 376 L C -1.101 175.672 176.870 -0.161 0.000 1.084 376 L CA -1.885 52.861 54.840 -0.157 0.000 0.802 376 L CB 1.221 43.188 42.059 -0.152 0.000 1.175 376 L HN 0.563 nan 8.230 nan 0.000 0.448 377 P HA -0.134 nan 4.420 nan 0.000 0.230 377 P C 0.331 177.581 177.300 -0.083 0.000 1.158 377 P CA 0.827 63.879 63.100 -0.080 0.000 0.769 377 P CB 0.029 31.693 31.700 -0.060 0.000 0.807 378 D N -1.303 119.032 120.400 -0.108 0.000 2.328 378 D HA 0.111 4.751 4.640 -0.001 0.000 0.221 378 D C 1.433 177.667 176.300 -0.112 0.000 1.072 378 D CA 0.335 54.280 54.000 -0.091 0.000 0.850 378 D CB -0.709 40.040 40.800 -0.085 0.000 0.922 378 D HN 0.232 nan 8.370 nan 0.000 0.516 379 G N -0.032 108.665 108.800 -0.172 0.000 2.195 379 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.246 379 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.246 379 G C 0.566 175.200 174.900 -0.444 0.000 0.984 379 G CA 0.592 45.567 45.100 -0.208 0.000 0.633 379 G HN 0.792 nan 8.290 nan 0.000 0.525 380 T N -1.970 112.296 114.554 -0.479 0.000 2.880 380 T HA 0.721 5.071 4.350 -0.001 0.000 0.279 380 T C -0.278 173.803 174.700 -1.032 0.000 0.990 380 T CA -0.656 61.083 62.100 -0.603 0.000 0.938 380 T CB 1.756 70.448 68.868 -0.293 0.000 1.206 380 T HN 0.467 nan 8.240 nan 0.000 0.573 381 Y N -1.055 118.934 120.300 -0.517 0.000 2.391 381 Y HA 0.618 5.167 4.550 -0.001 0.000 0.341 381 Y C 0.734 176.358 175.900 -0.459 0.000 0.965 381 Y CA -1.018 56.744 58.100 -0.563 0.000 1.067 381 Y CB 2.023 39.928 38.460 -0.925 0.000 1.199 381 Y HN 1.086 nan 8.280 nan 0.000 0.450 382 G N 3.063 111.845 108.800 -0.030 0.000 2.377 382 G HA2 0.559 4.518 3.960 -0.001 0.000 0.299 382 G HA3 0.559 4.518 3.960 -0.001 0.000 0.299 382 G C -1.455 173.504 174.900 0.099 0.000 1.150 382 G CA -0.585 44.580 45.100 0.108 0.000 0.847 382 G HN 0.614 nan 8.290 nan 0.000 0.501 383 L N 3.023 124.233 121.223 -0.022 0.000 2.491 383 L HA 0.442 4.782 4.340 -0.001 0.000 0.267 383 L C -1.092 175.819 176.870 0.068 0.000 0.971 383 L CA -0.688 54.162 54.840 0.016 0.000 0.857 383 L CB 1.568 43.573 42.059 -0.089 0.000 1.226 383 L HN 0.327 nan 8.230 nan 0.000 0.408 384 L N 5.868 127.193 121.223 0.169 0.000 2.272 384 L HA 0.490 4.830 4.340 -0.001 0.000 0.289 384 L C -1.045 175.952 176.870 0.211 0.000 1.032 384 L CA -0.525 54.416 54.840 0.169 0.000 0.810 384 L CB 1.395 43.553 42.059 0.166 0.000 1.205 384 L HN 0.603 nan 8.230 nan 0.000 0.422 385 Y N 1.602 121.912 120.300 0.016 0.000 2.644 385 Y HA 0.519 5.068 4.550 -0.000 0.000 0.338 385 Y C -1.127 174.802 175.900 0.049 0.000 1.119 385 Y CA -1.321 56.821 58.100 0.069 0.000 1.060 385 Y CB 1.281 39.827 38.460 0.143 0.000 1.294 385 Y HN 0.432 nan 8.280 nan 0.000 0.472 386 E N 3.231 123.602 120.200 0.285 0.000 2.073 386 E HA 0.253 4.603 4.350 -0.001 0.000 0.269 386 E C -2.277 174.438 176.600 0.191 0.000 0.917 386 E CA -2.139 54.324 56.400 0.105 0.000 0.757 386 E CB 1.602 31.347 29.700 0.075 0.000 1.111 386 E HN 0.490 nan 8.360 nan 0.000 0.410 387 P HA 0.079 nan 4.420 nan 0.000 0.261 387 P C 0.779 178.112 177.300 0.054 0.000 1.268 387 P CA 0.444 63.621 63.100 0.128 0.000 0.833 387 P CB 0.734 32.461 31.700 0.045 0.000 1.231 388 G N 0.109 108.920 108.800 0.019 0.000 2.232 388 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.226 388 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.226 388 G C 0.884 175.778 174.900 -0.010 0.000 0.996 388 G CA 0.586 45.688 45.100 0.003 0.000 0.626 388 G HN 0.445 nan 8.290 nan 0.000 0.509 389 T N -1.708 112.833 114.554 -0.022 0.000 3.054 389 T HA 0.593 4.942 4.350 -0.001 0.000 0.255 389 T C 1.591 176.276 174.700 -0.024 0.000 1.035 389 T CA 1.455 63.542 62.100 -0.021 0.000 0.941 389 T CB 1.156 70.008 68.868 -0.027 0.000 1.026 389 T HN 2.226 nan 8.240 nan 0.000 0.533 390 G N 2.128 110.897 108.800 -0.051 0.000 2.286 390 G HA2 0.246 4.205 3.960 -0.001 0.000 0.118 390 G HA3 0.246 4.205 3.960 -0.001 0.000 0.118 390 G C -1.561 173.229 174.900 -0.184 0.000 1.267 390 G CA -0.414 44.647 45.100 -0.064 0.000 1.171 390 G HN 1.015 nan 8.290 nan 0.000 0.465 391 I N -1.127 119.238 120.570 -0.343 0.000 2.545 391 I HA 0.929 5.099 4.170 -0.001 0.000 0.292 391 I C -0.519 175.329 176.117 -0.449 0.000 1.040 391 I CA -1.054 60.002 61.300 -0.407 0.000 1.068 391 I CB 2.278 39.971 38.000 -0.512 0.000 1.251 391 I HN 0.747 nan 8.210 nan 0.000 0.424 392 R N 4.468 124.677 120.500 -0.485 0.000 2.599 392 R HA 0.463 4.803 4.340 -0.001 0.000 0.295 392 R C -2.021 174.057 176.300 -0.371 0.000 0.963 392 R CA -0.771 55.026 56.100 -0.504 0.000 0.883 392 R CB 1.598 31.458 30.300 -0.733 0.000 1.171 392 R HN 0.789 nan 8.270 nan 0.000 0.450 393 Y N 2.768 122.857 120.300 -0.351 0.000 2.330 393 Y HA 0.648 5.197 4.550 -0.001 0.000 0.336 393 Y C -1.260 174.580 175.900 -0.100 0.000 1.036 393 Y CA -0.472 57.504 58.100 -0.208 0.000 1.125 393 Y CB 1.658 39.955 38.460 -0.272 0.000 1.194 393 Y HN 0.738 nan 8.280 nan 0.000 0.469 394 A N 5.047 127.379 122.820 -0.814 0.000 2.413 394 A HA 0.636 4.956 4.320 -0.001 0.000 0.307 394 A C -1.627 175.360 177.584 -0.994 0.000 1.087 394 A CA -0.884 50.705 52.037 -0.746 0.000 0.750 394 A CB 1.365 20.146 19.000 -0.364 0.000 1.296 394 A HN 0.750 nan 8.150 nan 0.000 0.423 395 N N 0.231 118.471 118.700 -0.767 0.000 2.352 395 N HA 0.741 5.480 4.740 -0.001 0.000 0.291 395 N C -1.206 174.075 175.510 -0.382 0.000 1.040 395 N CA -0.493 52.266 53.050 -0.486 0.000 0.864 395 N CB 1.147 39.467 38.487 -0.279 0.000 1.440 395 N HN 0.631 nan 8.380 nan 0.000 0.483 396 F N 0.922 120.697 119.950 -0.291 0.000 2.664 396 F HA 0.643 5.170 4.527 -0.001 0.000 0.317 396 F C -0.685 175.177 175.800 0.104 0.000 1.108 396 F CA -1.082 56.817 58.000 -0.169 0.000 0.957 396 F CB 0.937 39.798 39.000 -0.231 0.000 1.365 396 F HN 0.537 nan 8.300 nan 0.000 0.475 397 N N 0.448 119.341 118.700 0.322 0.000 2.577 397 N HA 0.473 5.213 4.740 -0.001 0.000 0.285 397 N C -0.186 175.659 175.510 0.559 0.000 1.309 397 N CA -1.099 52.133 53.050 0.303 0.000 0.798 397 N CB 2.372 40.971 38.487 0.186 0.000 1.463 397 N HN 0.729 nan 8.380 nan 0.000 0.518 398 L N -0.155 121.335 121.223 0.445 0.000 2.131 398 L HA -0.105 4.234 4.340 -0.001 0.000 0.210 398 L C 2.713 179.783 176.870 0.334 0.000 1.092 398 L CA 1.504 56.583 54.840 0.398 0.000 0.759 398 L CB -0.644 41.613 42.059 0.329 0.000 0.903 398 L HN 0.818 nan 8.230 nan 0.000 0.435 399 A N -0.404 122.597 122.820 0.302 0.000 1.940 399 A HA -0.284 4.036 4.320 -0.001 0.000 0.219 399 A C 2.007 179.751 177.584 0.266 0.000 1.176 399 A CA 1.667 53.847 52.037 0.238 0.000 0.631 399 A CB -1.025 18.101 19.000 0.210 0.000 0.814 399 A HN 0.661 nan 8.150 nan 0.000 0.446 400 W N 0.361 121.781 121.300 0.200 0.000 2.363 400 W HA -0.112 4.548 4.660 -0.001 0.000 0.296 400 W C 1.652 178.248 176.519 0.129 0.000 1.212 400 W CA 1.574 59.031 57.345 0.187 0.000 1.260 400 W CB -0.303 29.329 29.460 0.287 0.000 1.131 400 W HN 0.256 nan 8.180 nan 0.000 0.530 401 L N 0.489 121.776 121.223 0.107 0.000 2.187 401 L HA -0.089 4.250 4.340 -0.001 0.000 0.213 401 L C 2.401 179.158 176.870 -0.189 0.000 1.100 401 L CA 1.643 56.404 54.840 -0.132 0.000 0.765 401 L CB -0.918 41.201 42.059 0.100 0.000 0.904 401 L HN 0.417 nan 8.230 nan 0.000 0.437 402 G N -1.411 107.335 108.800 -0.090 0.000 2.320 402 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.242 402 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.242 402 G C 1.022 175.908 174.900 -0.025 0.000 1.033 402 G CA 0.444 45.498 45.100 -0.077 0.000 0.620 402 G HN 0.459 nan 8.290 nan 0.000 0.517 403 G N 0.769 109.566 108.800 -0.006 0.000 2.414 403 G HA2 0.346 4.305 3.960 -0.001 0.000 0.215 403 G HA3 0.346 4.305 3.960 -0.001 0.000 0.215 403 G C 1.022 175.944 174.900 0.037 0.000 1.188 403 G CA 1.743 46.853 45.100 0.016 0.000 0.783 403 G HN 1.581 nan 8.290 nan 0.000 0.537 404 I N 0.000 120.608 120.570 0.063 0.000 2.984 404 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 404 I CA 0.000 61.347 61.300 0.078 0.000 1.566 404 I CB 0.000 38.061 38.000 0.101 0.000 1.214 404 I HN 0.000 nan 8.210 nan 0.000 0.494