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 2hty_1_E DATA FIRST_RESID 83 DATA SEQUENCE VKLAGNSSLc PINGWAVYSK DNSIRIGSKG DVFVIREPFI ScSHLEcRTF DATA SEQUENCE FLTQGALLND KHSNGTVKDR SPHRTLMSCP VGEAPSYNSR FESVAWSASA DATA SEQUENCE cHDGTSWLTI GISGPDNGAV AVLKYNGIIT DTIKSWRNNI LRTQESEcAc DATA SEQUENCE VNGScFTVMT DGPSNGQASY KIFKMEKGKV VKSVELDAPN YHYEEcScYP DATA SEQUENCE NAGEITcVcR DNWHGSNRPW VSFNXQNLEY QIGYIcSGVF GDNPRPNDGT DATA SEQUENCE GXScXXGPVS SNGAYGVKGF SFKYGNGVWI GRTKSTNSRS GFEMIWDPNG DATA SEQUENCE WTETDSSFSV XKQDIVAITD WSGYSGSFVL TGLDcIRPcF WVELIRGRPK DATA SEQUENCE EXSTIWTSGS SISFcGVNSD TVGWSWPDGA ELPFTI 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 83 V HA 0.000 nan 4.120 nan 0.000 0.244 83 V C 0.000 176.038 176.094 -0.093 0.000 1.182 83 V CA 0.000 62.255 62.300 -0.076 0.000 1.235 83 V CB 0.000 31.796 31.823 -0.046 0.000 1.184 84 K N 2.957 123.329 120.400 -0.046 0.000 2.447 84 K HA 0.275 4.595 4.320 -0.000 0.000 0.281 84 K C -0.301 176.292 176.600 -0.011 0.000 1.031 84 K CA -0.396 55.875 56.287 -0.026 0.000 1.019 84 K CB 0.405 32.902 32.500 -0.005 0.000 0.918 84 K HN 0.419 nan 8.250 nan 0.000 0.476 85 L N 3.305 124.530 121.223 0.003 0.000 2.615 85 L HA -0.041 4.299 4.340 -0.000 0.000 0.271 85 L C 0.075 176.970 176.870 0.042 0.000 1.183 85 L CA 0.822 55.679 54.840 0.029 0.000 0.933 85 L CB -0.213 41.881 42.059 0.058 0.000 1.199 85 L HN 0.724 nan 8.230 nan 0.000 0.487 86 A N 3.598 126.439 122.820 0.035 0.000 2.363 86 A HA 0.610 4.930 4.320 -0.000 0.000 0.270 86 A C 0.854 178.465 177.584 0.045 0.000 1.121 86 A CA 0.144 52.203 52.037 0.038 0.000 0.800 86 A CB 0.470 19.486 19.000 0.026 0.000 1.052 86 A HN 0.879 nan 8.150 nan 0.000 0.493 87 G N 0.620 109.450 108.800 0.051 0.000 4.331 87 G HA2 0.172 4.131 3.960 -0.000 0.000 0.299 87 G HA3 0.172 4.131 3.960 -0.000 0.000 0.299 87 G C 0.402 175.316 174.900 0.024 0.000 1.158 87 G CA 0.250 45.379 45.100 0.048 0.000 0.916 87 G HN 0.920 nan 8.290 nan 0.000 0.553 88 N N -0.294 118.416 118.700 0.017 0.000 2.424 88 N HA -0.010 4.730 4.740 -0.000 0.000 0.178 88 N C 1.398 176.905 175.510 -0.005 0.000 1.060 88 N CA 0.285 53.337 53.050 0.004 0.000 0.901 88 N CB 0.140 38.631 38.487 0.007 0.000 0.979 88 N HN 0.231 nan 8.380 nan 0.000 0.451 89 S N -0.123 115.575 115.700 -0.003 0.000 2.634 89 S HA 0.347 4.817 4.470 -0.000 0.000 0.261 89 S C 0.105 174.692 174.600 -0.022 0.000 1.271 89 S CA -0.854 57.339 58.200 -0.012 0.000 0.985 89 S CB 1.368 64.562 63.200 -0.011 0.000 0.968 89 S HN 0.109 nan 8.310 nan 0.000 0.568 90 S N 0.145 115.826 115.700 -0.032 0.000 2.722 90 S HA 0.484 4.954 4.470 -0.000 0.000 0.292 90 S C 0.058 174.617 174.600 -0.067 0.000 1.135 90 S CA -0.886 57.283 58.200 -0.052 0.000 1.003 90 S CB 0.380 63.548 63.200 -0.053 0.000 1.067 90 S HN 0.609 nan 8.310 nan 0.000 0.546 91 L N 1.374 122.522 121.223 -0.125 0.000 2.514 91 L HA 0.081 4.421 4.340 -0.000 0.000 0.280 91 L C 0.088 176.926 176.870 -0.053 0.000 1.223 91 L CA -0.443 54.296 54.840 -0.168 0.000 0.864 91 L CB -0.214 41.589 42.059 -0.426 0.000 1.118 91 L HN 0.663 nan 8.230 nan 0.000 0.494 92 c N 3.689 122.260 118.600 -0.049 0.000 2.676 92 c HA 0.217 4.787 4.570 -0.000 0.000 0.416 92 c C -1.566 172.553 174.090 0.048 0.000 1.299 92 c CA -0.988 55.322 56.329 -0.031 0.000 2.048 92 c CB -0.301 42.144 42.510 -0.109 0.000 2.713 92 c HN 0.540 nan 8.230 nan 0.000 0.624 93 P HA 0.397 nan 4.420 nan 0.000 0.280 93 P C -0.711 176.431 177.300 -0.263 0.000 1.244 93 P CA 0.373 63.416 63.100 -0.096 0.000 0.784 93 P CB 0.620 32.273 31.700 -0.078 0.000 0.913 94 I N -0.307 119.991 120.570 -0.453 0.000 3.206 94 I HA 0.507 4.677 4.170 -0.000 0.000 0.313 94 I C 0.133 175.981 176.117 -0.448 0.000 1.103 94 I CA -1.068 59.923 61.300 -0.515 0.000 0.985 94 I CB 2.112 39.620 38.000 -0.820 0.000 1.240 94 I HN 0.055 nan 8.210 nan 0.000 0.464 95 N N 0.324 118.780 118.700 -0.406 0.000 2.325 95 N HA 0.338 5.078 4.740 -0.000 0.000 0.220 95 N C 0.265 175.679 175.510 -0.160 0.000 1.176 95 N CA 0.524 53.443 53.050 -0.219 0.000 0.861 95 N CB 1.927 40.324 38.487 -0.149 0.000 1.230 95 N HN 0.920 nan 8.380 nan 0.000 0.479 96 G N -0.561 107.970 108.800 -0.448 0.000 2.731 96 G HA2 0.516 4.476 3.960 -0.000 0.000 0.309 96 G HA3 0.516 4.476 3.960 -0.000 0.000 0.309 96 G C -2.119 172.251 174.900 -0.884 0.000 1.273 96 G CA -0.647 44.201 45.100 -0.421 0.000 0.798 96 G HN 0.051 nan 8.290 nan 0.000 0.509 97 W N -0.053 121.205 121.300 -0.070 0.000 2.883 97 W HA 0.729 5.389 4.660 -0.000 0.000 0.335 97 W C 0.044 176.654 176.519 0.152 0.000 1.083 97 W CA -0.658 56.695 57.345 0.013 0.000 1.233 97 W CB 2.350 31.864 29.460 0.089 0.000 1.412 97 W HN 0.738 nan 8.180 nan 0.000 0.490 98 A N 2.285 125.287 122.820 0.304 0.000 2.317 98 A HA 0.767 5.087 4.320 -0.000 0.000 0.327 98 A C -0.323 177.378 177.584 0.196 0.000 1.178 98 A CA -0.821 51.356 52.037 0.234 0.000 0.817 98 A CB 0.487 19.547 19.000 0.101 0.000 1.189 98 A HN 0.633 nan 8.150 nan 0.000 0.489 99 V N 1.195 121.091 119.914 -0.030 0.000 2.694 99 V HA -0.003 4.117 4.120 -0.000 0.000 0.306 99 V C 0.686 176.605 176.094 -0.292 0.000 1.054 99 V CA 0.603 62.530 62.300 -0.622 0.000 1.161 99 V CB -0.494 30.839 31.823 -0.817 0.000 0.916 99 V HN 0.966 nan 8.190 nan 0.000 0.490 100 Y N 2.702 122.681 120.300 -0.535 0.000 2.664 100 Y HA 0.334 4.884 4.550 -0.000 0.000 0.278 100 Y C 1.213 176.971 175.900 -0.236 0.000 1.130 100 Y CA 0.644 58.589 58.100 -0.258 0.000 1.260 100 Y CB 0.743 39.132 38.460 -0.118 0.000 1.369 100 Y HN 0.900 nan 8.280 nan 0.000 0.499 101 S N -0.047 115.473 115.700 -0.301 0.000 2.596 101 S HA 0.565 5.035 4.470 -0.000 0.000 0.270 101 S C -1.482 172.970 174.600 -0.247 0.000 1.155 101 S CA -0.978 57.048 58.200 -0.289 0.000 0.827 101 S CB 2.746 65.807 63.200 -0.231 0.000 1.130 101 S HN 0.166 nan 8.310 nan 0.000 0.467 102 K N 0.527 120.832 120.400 -0.159 0.000 2.589 102 K HA 0.315 4.635 4.320 -0.000 0.000 0.253 102 K C -0.891 175.676 176.600 -0.055 0.000 0.974 102 K CA -0.384 55.856 56.287 -0.078 0.000 0.835 102 K CB 1.316 33.801 32.500 -0.024 0.000 1.272 102 K HN 0.744 nan 8.250 nan 0.000 0.444 103 D N 2.831 123.206 120.400 -0.041 0.000 2.301 103 D HA -0.050 4.590 4.640 -0.000 0.000 0.206 103 D C -0.055 176.229 176.300 -0.026 0.000 0.979 103 D CA 0.571 54.539 54.000 -0.053 0.000 0.874 103 D CB -0.267 40.484 40.800 -0.083 0.000 0.968 103 D HN 0.815 nan 8.370 nan 0.000 0.510 104 N N -0.613 118.093 118.700 0.010 0.000 2.708 104 N HA -0.272 4.468 4.740 -0.000 0.000 0.251 104 N C 0.823 176.343 175.510 0.018 0.000 1.123 104 N CA 0.621 53.691 53.050 0.034 0.000 0.739 104 N CB -1.170 37.337 38.487 0.033 0.000 1.113 104 N HN 0.372 nan 8.380 nan 0.000 0.561 105 S N -0.178 115.514 115.700 -0.014 0.000 2.402 105 S HA -0.181 4.289 4.470 -0.000 0.000 0.233 105 S C 1.521 176.117 174.600 -0.007 0.000 1.030 105 S CA 1.309 59.482 58.200 -0.046 0.000 1.003 105 S CB -0.226 62.911 63.200 -0.105 0.000 0.813 105 S HN 0.478 nan 8.310 nan 0.000 0.477 106 I N 1.048 121.650 120.570 0.052 0.000 2.500 106 I HA -0.034 4.135 4.170 -0.000 0.000 0.252 106 I C 3.052 179.308 176.117 0.232 0.000 1.142 106 I CA 0.804 62.181 61.300 0.128 0.000 1.451 106 I CB -0.248 37.854 38.000 0.171 0.000 1.093 106 I HN 0.208 nan 8.210 nan 0.000 0.430 107 R N 0.857 121.455 120.500 0.163 0.000 2.066 107 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 107 R C 2.341 178.671 176.300 0.050 0.000 1.131 107 R CA 1.370 57.551 56.100 0.135 0.000 0.955 107 R CB -0.238 30.119 30.300 0.094 0.000 0.851 107 R HN 0.284 nan 8.270 nan 0.000 0.432 108 I N -0.148 120.435 120.570 0.022 0.000 2.286 108 I HA -0.161 4.008 4.170 -0.000 0.000 0.248 108 I C 2.336 178.427 176.117 -0.044 0.000 1.115 108 I CA 1.350 62.638 61.300 -0.021 0.000 1.392 108 I CB -0.438 37.542 38.000 -0.033 0.000 1.065 108 I HN 0.329 nan 8.210 nan 0.000 0.418 109 G N -0.623 108.163 108.800 -0.023 0.000 2.509 109 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 109 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 109 G C 1.678 176.545 174.900 -0.055 0.000 1.124 109 G CA 0.813 45.886 45.100 -0.046 0.000 0.776 109 G HN 0.358 nan 8.290 nan 0.000 0.547 110 S N -0.411 115.220 115.700 -0.116 0.000 2.440 110 S HA -0.101 4.369 4.470 -0.000 0.000 0.240 110 S C 2.006 176.442 174.600 -0.273 0.000 1.014 110 S CA 2.095 60.032 58.200 -0.437 0.000 0.980 110 S CB -0.133 62.703 63.200 -0.607 0.000 0.775 110 S HN 0.612 nan 8.310 nan 0.000 0.499 111 K N -1.256 119.048 120.400 -0.160 0.000 2.585 111 K HA 0.238 4.557 4.320 -0.000 0.000 0.210 111 K C 0.892 177.442 176.600 -0.084 0.000 1.504 111 K CA 0.433 56.651 56.287 -0.115 0.000 1.029 111 K CB 0.157 32.598 32.500 -0.098 0.000 1.332 111 K HN 0.262 nan 8.250 nan 0.000 0.569 112 G N 0.655 109.404 108.800 -0.084 0.000 2.616 112 G HA2 0.121 4.080 3.960 -0.000 0.000 0.268 112 G HA3 0.121 4.080 3.960 -0.000 0.000 0.268 112 G C -0.850 173.979 174.900 -0.118 0.000 1.213 112 G CA -0.392 44.662 45.100 -0.076 0.000 0.926 112 G HN 0.196 nan 8.290 nan 0.000 0.523 113 D N 0.554 120.865 120.400 -0.149 0.000 2.563 113 D HA 0.303 4.943 4.640 -0.000 0.000 0.222 113 D C 0.024 176.050 176.300 -0.457 0.000 1.145 113 D CA 0.095 53.916 54.000 -0.298 0.000 1.001 113 D CB 1.008 41.590 40.800 -0.363 0.000 1.049 113 D HN -0.008 nan 8.370 nan 0.000 0.515 114 V N 1.743 121.452 119.914 -0.342 0.000 2.630 114 V HA 0.380 4.500 4.120 -0.000 0.000 0.305 114 V C 0.377 176.291 176.094 -0.300 0.000 1.046 114 V CA -0.887 61.213 62.300 -0.334 0.000 0.934 114 V CB 1.418 33.121 31.823 -0.200 0.000 1.003 114 V HN 0.234 nan 8.190 nan 0.000 0.451 115 F N 2.144 121.958 119.950 -0.227 0.000 2.429 115 F HA 0.335 4.862 4.527 -0.000 0.000 0.348 115 F C 0.522 176.208 175.800 -0.190 0.000 1.109 115 F CA -0.210 57.682 58.000 -0.180 0.000 1.232 115 F CB 1.498 40.412 39.000 -0.143 0.000 1.157 115 F HN 0.321 nan 8.300 nan 0.000 0.564 116 V N 6.900 126.871 119.914 0.096 0.000 2.555 116 V HA 0.443 4.563 4.120 -0.000 0.000 0.286 116 V C -0.214 175.901 176.094 0.035 0.000 1.044 116 V CA -0.177 62.126 62.300 0.004 0.000 1.026 116 V CB 0.255 32.081 31.823 0.005 0.000 0.981 116 V HN 0.631 nan 8.190 nan 0.000 0.480 117 I N 4.960 125.529 120.570 -0.001 0.000 3.174 117 I HA 0.822 4.991 4.170 -0.000 0.000 0.313 117 I C -0.994 175.140 176.117 0.028 0.000 1.155 117 I CA -1.289 60.014 61.300 0.005 0.000 0.977 117 I CB 2.449 40.365 38.000 -0.140 0.000 1.248 117 I HN 0.424 nan 8.210 nan 0.000 0.453 118 R N 1.592 122.126 120.500 0.057 0.000 2.808 118 R HA 0.317 4.657 4.340 -0.000 0.000 0.272 118 R C -1.157 175.186 176.300 0.072 0.000 0.995 118 R CA -0.499 55.621 56.100 0.033 0.000 0.917 118 R CB 1.536 31.841 30.300 0.009 0.000 1.217 118 R HN 0.930 nan 8.270 nan 0.000 0.471 119 E N 0.547 120.787 120.200 0.067 0.000 2.272 119 E HA -0.148 4.202 4.350 -0.000 0.000 0.160 119 E C -2.037 174.579 176.600 0.027 0.000 1.627 119 E CA 0.113 56.620 56.400 0.178 0.000 0.641 119 E CB -1.013 28.892 29.700 0.343 0.000 1.060 119 E HN 0.225 nan 8.360 nan 0.000 0.324 120 P HA 0.094 nan 4.420 nan 0.000 0.225 120 P C -0.374 176.452 177.300 -0.791 0.000 1.830 120 P CA -0.435 62.485 63.100 -0.301 0.000 1.051 120 P CB -0.807 30.780 31.700 -0.188 0.000 1.929 121 F N 1.342 120.740 119.950 -0.921 0.000 2.429 121 F HA 0.489 5.016 4.527 -0.000 0.000 0.348 121 F C -0.001 175.454 175.800 -0.576 0.000 1.109 121 F CA -1.218 55.985 58.000 -1.328 0.000 1.232 121 F CB 0.252 38.925 39.000 -0.546 0.000 1.157 121 F HN -0.047 nan 8.300 nan 0.000 0.564 122 I N 2.573 122.855 120.570 -0.480 0.000 2.428 122 I HA 0.414 4.583 4.170 -0.000 0.000 0.296 122 I C -0.016 176.138 176.117 0.062 0.000 0.985 122 I CA -0.503 60.577 61.300 -0.367 0.000 1.260 122 I CB 1.742 39.179 38.000 -0.938 0.000 1.389 122 I HN 0.774 nan 8.210 nan 0.000 0.484 123 S N 4.038 119.913 115.700 0.292 0.000 2.546 123 S HA 0.589 5.059 4.470 -0.000 0.000 0.272 123 S C -1.054 173.950 174.600 0.673 0.000 1.140 123 S CA -0.498 58.074 58.200 0.621 0.000 0.920 123 S CB 1.055 64.781 63.200 0.877 0.000 1.083 123 S HN 0.672 nan 8.310 nan 0.000 0.476 124 c N 2.690 121.623 118.600 0.554 0.000 2.470 124 c HA 0.918 5.488 4.570 -0.000 0.000 0.341 124 c C 1.108 175.284 174.090 0.145 0.000 1.190 124 c CA -0.621 55.947 56.329 0.398 0.000 1.904 124 c CB 1.151 43.845 42.510 0.306 0.000 2.354 124 c HN 0.997 nan 8.230 nan 0.000 0.509 125 S N 0.288 115.957 115.700 -0.052 0.000 2.589 125 S HA 0.370 4.840 4.470 -0.000 0.000 0.272 125 S C 0.399 174.864 174.600 -0.224 0.000 1.096 125 S CA -0.183 57.704 58.200 -0.522 0.000 0.985 125 S CB 0.062 62.702 63.200 -0.933 0.000 1.278 125 S HN 0.927 nan 8.310 nan 0.000 0.528 126 H N 0.094 118.933 119.070 -0.386 0.000 2.524 126 H HA 0.546 5.102 4.556 -0.000 0.000 0.299 126 H C 0.380 175.641 175.328 -0.110 0.000 1.074 126 H CA -0.343 55.610 56.048 -0.159 0.000 1.115 126 H CB -0.506 29.190 29.762 -0.110 0.000 1.522 126 H HN 0.497 nan 8.280 nan 0.000 0.543 127 L N -0.491 120.466 121.223 -0.443 0.000 3.481 127 L HA 0.181 4.521 4.340 -0.000 0.000 0.338 127 L C -0.134 176.654 176.870 -0.136 0.000 1.039 127 L CA 0.142 54.776 54.840 -0.343 0.000 1.313 127 L CB 0.822 42.585 42.059 -0.493 0.000 2.046 127 L HN 0.282 nan 8.230 nan 0.000 0.609 128 E N -1.079 119.077 120.200 -0.073 0.000 2.447 128 E HA 0.474 4.824 4.350 -0.000 0.000 0.279 128 E C -1.627 175.056 176.600 0.137 0.000 1.053 128 E CA -0.855 55.568 56.400 0.039 0.000 0.840 128 E CB 2.081 31.803 29.700 0.038 0.000 1.409 128 E HN -0.092 nan 8.360 nan 0.000 0.461 129 c N 0.643 119.335 118.600 0.155 0.000 2.455 129 c HA 0.696 5.266 4.570 -0.000 0.000 0.320 129 c C -0.385 173.745 174.090 0.067 0.000 1.226 129 c CA -0.520 55.927 56.329 0.195 0.000 1.569 129 c CB 0.555 43.216 42.510 0.252 0.000 2.200 129 c HN 0.566 nan 8.230 nan 0.000 0.491 130 R N 0.943 121.440 120.500 -0.004 0.000 2.854 130 R HA 0.682 5.022 4.340 -0.000 0.000 0.271 130 R C -0.962 175.072 176.300 -0.442 0.000 0.994 130 R CA -0.509 55.405 56.100 -0.311 0.000 0.945 130 R CB 1.881 31.803 30.300 -0.631 0.000 1.194 130 R HN 0.610 nan 8.270 nan 0.000 0.476 131 T N 2.482 116.732 114.554 -0.505 0.000 2.756 131 T HA 0.415 4.765 4.350 -0.000 0.000 0.290 131 T C -0.687 173.645 174.700 -0.615 0.000 0.985 131 T CA -0.296 61.528 62.100 -0.459 0.000 0.955 131 T CB 0.131 68.840 68.868 -0.265 0.000 0.930 131 T HN 0.178 nan 8.240 nan 0.000 0.451 132 F N 3.753 123.245 119.950 -0.764 0.000 2.380 132 F HA 0.781 5.308 4.527 -0.000 0.000 0.321 132 F C 0.143 175.495 175.800 -0.748 0.000 1.103 132 F CA -0.841 56.564 58.000 -0.991 0.000 1.067 132 F CB 0.959 39.056 39.000 -1.504 0.000 1.265 132 F HN 0.595 nan 8.300 nan 0.000 0.517 133 F N -1.257 118.478 119.950 -0.358 0.000 2.807 133 F HA 0.675 5.202 4.527 -0.000 0.000 0.316 133 F C -2.438 173.285 175.800 -0.129 0.000 1.162 133 F CA -1.758 56.106 58.000 -0.226 0.000 0.910 133 F CB 0.920 39.788 39.000 -0.222 0.000 1.314 133 F HN 0.189 nan 8.300 nan 0.000 0.454 134 L N 1.918 123.247 121.223 0.178 0.000 2.341 134 L HA 0.788 5.127 4.340 -0.000 0.000 0.278 134 L C -0.446 176.515 176.870 0.152 0.000 1.005 134 L CA -0.736 54.158 54.840 0.090 0.000 0.818 134 L CB 2.282 44.407 42.059 0.109 0.000 1.259 134 L HN 0.937 nan 8.230 nan 0.000 0.418 135 T N -1.857 112.728 114.554 0.052 0.000 2.887 135 T HA 0.297 4.647 4.350 -0.000 0.000 0.288 135 T C 0.210 174.917 174.700 0.010 0.000 1.021 135 T CA -0.836 61.263 62.100 -0.003 0.000 1.000 135 T CB 2.269 70.975 68.868 -0.269 0.000 1.034 135 T HN 0.420 nan 8.240 nan 0.000 0.467 136 Q N 0.611 120.442 119.800 0.053 0.000 2.365 136 Q HA 0.198 4.538 4.340 -0.000 0.000 0.203 136 Q C 1.442 177.489 176.000 0.080 0.000 0.929 136 Q CA 0.788 56.652 55.803 0.102 0.000 0.948 136 Q CB 0.163 28.974 28.738 0.122 0.000 1.043 136 Q HN 1.296 nan 8.270 nan 0.000 0.505 137 G N 0.555 109.361 108.800 0.011 0.000 2.160 137 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 137 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 137 G C 0.086 175.045 174.900 0.097 0.000 1.022 137 G CA 0.354 45.464 45.100 0.017 0.000 0.741 137 G HN 0.561 nan 8.290 nan 0.000 0.508 138 A N -0.931 121.988 122.820 0.165 0.000 2.435 138 A HA 0.963 5.283 4.320 -0.000 0.000 0.296 138 A C -0.183 177.517 177.584 0.193 0.000 1.147 138 A CA -0.805 51.325 52.037 0.154 0.000 0.775 138 A CB 1.405 20.485 19.000 0.134 0.000 1.340 138 A HN 0.789 nan 8.150 nan 0.000 0.427 139 L N 0.473 121.732 121.223 0.060 0.000 2.319 139 L HA 0.489 4.829 4.340 -0.000 0.000 0.267 139 L C -0.412 176.390 176.870 -0.115 0.000 1.011 139 L CA -0.791 54.017 54.840 -0.054 0.000 0.818 139 L CB 1.527 43.500 42.059 -0.144 0.000 1.316 139 L HN 0.620 nan 8.230 nan 0.000 0.432 140 L N 1.879 122.988 121.223 -0.189 0.000 2.483 140 L HA 0.038 4.378 4.340 -0.000 0.000 0.275 140 L C 0.855 177.607 176.870 -0.196 0.000 1.220 140 L CA 0.152 54.807 54.840 -0.309 0.000 0.833 140 L CB -0.056 41.837 42.059 -0.277 0.000 1.102 140 L HN 0.743 nan 8.230 nan 0.000 0.490 141 N N 0.994 119.565 118.700 -0.216 0.000 2.725 141 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 141 N C -0.785 174.699 175.510 -0.043 0.000 1.103 141 N CA 1.111 54.133 53.050 -0.047 0.000 0.707 141 N CB -0.810 37.675 38.487 -0.002 0.000 1.043 141 N HN 0.750 nan 8.380 nan 0.000 0.553 142 D N -0.587 119.777 120.400 -0.059 0.000 2.780 142 D HA 0.270 4.910 4.640 -0.000 0.000 0.242 142 D C 1.236 177.532 176.300 -0.006 0.000 1.135 142 D CA -0.571 53.423 54.000 -0.010 0.000 0.859 142 D CB 1.022 41.836 40.800 0.024 0.000 1.530 142 D HN 0.127 nan 8.370 nan 0.000 0.493 143 K N 2.215 122.592 120.400 -0.039 0.000 2.144 143 K HA -0.281 4.038 4.320 -0.000 0.000 0.209 143 K C 0.888 177.418 176.600 -0.117 0.000 1.047 143 K CA 1.371 57.600 56.287 -0.096 0.000 0.927 143 K CB -0.333 32.058 32.500 -0.181 0.000 0.716 143 K HN 0.521 nan 8.250 nan 0.000 0.454 144 H N 0.907 119.984 119.070 0.010 0.000 2.567 144 H HA -0.002 4.554 4.556 -0.000 0.000 0.276 144 H C 1.646 176.992 175.328 0.030 0.000 1.016 144 H CA 1.338 57.395 56.048 0.014 0.000 1.186 144 H CB 0.104 29.865 29.762 -0.001 0.000 1.351 144 H HN 0.569 nan 8.280 nan 0.000 0.605 145 S N -0.233 115.529 115.700 0.103 0.000 2.593 145 S HA -0.063 4.407 4.470 -0.000 0.000 0.217 145 S C 1.711 176.400 174.600 0.148 0.000 0.966 145 S CA -0.177 58.079 58.200 0.092 0.000 0.914 145 S CB 0.053 63.233 63.200 -0.034 0.000 0.776 145 S HN 0.212 nan 8.310 nan 0.000 0.523 146 N N 2.755 121.523 118.700 0.113 0.000 2.165 146 N HA -0.200 4.540 4.740 -0.000 0.000 0.198 146 N C 1.611 177.188 175.510 0.110 0.000 0.999 146 N CA 1.841 54.953 53.050 0.104 0.000 0.893 146 N CB -1.238 37.283 38.487 0.057 0.000 1.025 146 N HN 0.804 nan 8.380 nan 0.000 0.456 147 G N -1.611 107.257 108.800 0.113 0.000 2.200 147 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.268 147 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.268 147 G C 0.947 175.879 174.900 0.053 0.000 0.986 147 G CA 1.677 46.833 45.100 0.093 0.000 0.677 147 G HN 0.606 nan 8.290 nan 0.000 0.532 148 T N -1.989 112.592 114.554 0.045 0.000 3.113 148 T HA 0.406 4.756 4.350 -0.000 0.000 0.256 148 T C 1.184 175.897 174.700 0.023 0.000 1.131 148 T CA 0.518 62.632 62.100 0.023 0.000 1.074 148 T CB 0.442 69.320 68.868 0.017 0.000 0.944 148 T HN 0.521 nan 8.240 nan 0.000 0.516 149 V N 3.182 123.121 119.914 0.042 0.000 2.843 149 V HA 0.143 4.263 4.120 -0.000 0.000 0.305 149 V C 0.714 176.817 176.094 0.014 0.000 1.065 149 V CA -1.253 61.071 62.300 0.040 0.000 1.116 149 V CB 0.307 32.180 31.823 0.083 0.000 0.968 149 V HN 0.611 nan 8.190 nan 0.000 0.487 150 K N 2.932 123.323 120.400 -0.015 0.000 2.527 150 K HA -0.002 4.318 4.320 -0.000 0.000 0.278 150 K C 0.412 176.982 176.600 -0.050 0.000 0.981 150 K CA -0.053 56.203 56.287 -0.052 0.000 1.009 150 K CB 0.340 32.782 32.500 -0.096 0.000 0.895 150 K HN 0.560 nan 8.250 nan 0.000 0.493 151 D N 2.010 122.375 120.400 -0.059 0.000 2.116 151 D HA -0.161 4.479 4.640 -0.000 0.000 0.193 151 D C 0.365 176.626 176.300 -0.066 0.000 0.998 151 D CA 1.580 55.560 54.000 -0.033 0.000 0.836 151 D CB 0.088 40.874 40.800 -0.025 0.000 0.951 151 D HN 0.508 nan 8.370 nan 0.000 0.449 152 R N 1.391 121.745 120.500 -0.243 0.000 4.071 152 R HA 0.159 4.499 4.340 -0.000 0.000 0.220 152 R C 0.319 176.410 176.300 -0.349 0.000 1.614 152 R CA -0.255 55.538 56.100 -0.513 0.000 1.505 152 R CB 0.466 29.988 30.300 -1.297 0.000 1.384 152 R HN 0.046 nan 8.270 nan 0.000 0.758 153 S N 0.623 116.262 115.700 -0.101 0.000 2.669 153 S HA 0.352 4.822 4.470 -0.000 0.000 0.270 153 S C -1.466 173.110 174.600 -0.039 0.000 1.225 153 S CA -1.231 56.909 58.200 -0.099 0.000 0.991 153 S CB 1.272 64.436 63.200 -0.060 0.000 0.987 153 S HN 0.212 nan 8.310 nan 0.000 0.552 154 P HA 0.161 nan 4.420 nan 0.000 0.257 154 P C 0.069 177.312 177.300 -0.095 0.000 1.281 154 P CA 0.549 63.580 63.100 -0.115 0.000 0.826 154 P CB -0.409 31.187 31.700 -0.173 0.000 1.237 155 H N -1.681 117.446 119.070 0.095 0.000 2.654 155 H HA 0.232 4.788 4.556 -0.000 0.000 0.264 155 H C 0.872 176.246 175.328 0.076 0.000 0.954 155 H CA -0.542 55.549 56.048 0.071 0.000 1.199 155 H CB 0.264 30.057 29.762 0.051 0.000 1.446 155 H HN -0.093 nan 8.280 nan 0.000 0.516 156 R N 2.695 123.309 120.500 0.189 0.000 2.458 156 R HA 0.038 4.378 4.340 -0.000 0.000 0.303 156 R C -0.340 176.022 176.300 0.104 0.000 1.013 156 R CA 0.377 56.567 56.100 0.151 0.000 1.026 156 R CB 0.100 30.526 30.300 0.209 0.000 0.948 156 R HN 0.297 nan 8.270 nan 0.000 0.417 157 T N 1.476 116.052 114.554 0.036 0.000 2.906 157 T HA 0.452 4.802 4.350 -0.000 0.000 0.295 157 T C -0.947 173.641 174.700 -0.187 0.000 1.061 157 T CA -1.068 61.017 62.100 -0.025 0.000 1.000 157 T CB 1.298 70.249 68.868 0.139 0.000 1.103 157 T HN 0.331 nan 8.240 nan 0.000 0.486 158 L N 2.825 123.855 121.223 -0.322 0.000 2.290 158 L HA 0.716 5.055 4.340 -0.000 0.000 0.284 158 L C -0.619 175.882 176.870 -0.615 0.000 1.078 158 L CA -0.168 54.429 54.840 -0.404 0.000 0.815 158 L CB 0.257 42.127 42.059 -0.314 0.000 1.162 158 L HN 0.818 nan 8.230 nan 0.000 0.435 159 M N 3.298 122.398 119.600 -0.833 0.000 2.667 159 M HA 0.608 5.088 4.480 -0.000 0.000 0.286 159 M C -0.741 174.827 176.300 -1.221 0.000 1.270 159 M CA -0.702 54.028 55.300 -0.949 0.000 0.826 159 M CB 2.576 34.660 32.600 -0.860 0.000 1.743 159 M HN 0.673 nan 8.290 nan 0.000 0.460 160 S N 0.348 115.540 115.700 -0.846 0.000 2.556 160 S HA 0.888 5.357 4.470 -0.000 0.000 0.271 160 S C -0.993 173.372 174.600 -0.391 0.000 1.135 160 S CA -0.800 56.900 58.200 -0.834 0.000 0.858 160 S CB 1.770 64.127 63.200 -1.405 0.000 1.114 160 S HN 1.077 nan 8.310 nan 0.000 0.468 161 C N -0.524 118.617 119.300 -0.265 0.000 3.086 161 C HA 0.843 5.303 4.460 -0.000 0.000 0.311 161 C C -3.028 171.843 174.990 -0.198 0.000 1.260 161 C CA -1.990 56.945 59.018 -0.138 0.000 1.426 161 C CB 1.301 29.050 27.740 0.015 0.000 1.826 161 C HN 0.762 nan 8.230 nan 0.000 0.474 162 P HA 0.094 nan 4.420 nan 0.000 0.264 162 P C 0.228 177.446 177.300 -0.136 0.000 1.183 162 P CA 0.706 63.724 63.100 -0.136 0.000 0.763 162 P CB 0.353 31.998 31.700 -0.093 0.000 0.807 163 V N 2.988 122.822 119.914 -0.133 0.000 2.752 163 V HA 0.099 4.219 4.120 -0.000 0.000 0.306 163 V C 1.966 177.973 176.094 -0.144 0.000 1.099 163 V CA 1.965 64.184 62.300 -0.134 0.000 1.240 163 V CB -0.736 31.040 31.823 -0.079 0.000 0.887 163 V HN 1.090 nan 8.190 nan 0.000 0.499 164 G N 3.255 111.968 108.800 -0.145 0.000 2.225 164 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.254 164 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.254 164 G C 0.051 174.883 174.900 -0.113 0.000 0.988 164 G CA 0.282 45.298 45.100 -0.139 0.000 0.625 164 G HN 0.707 nan 8.290 nan 0.000 0.527 165 E N 0.695 120.828 120.200 -0.112 0.000 2.266 165 E HA 0.608 4.958 4.350 -0.000 0.000 0.277 165 E C 0.525 177.055 176.600 -0.115 0.000 1.018 165 E CA -0.144 56.198 56.400 -0.097 0.000 0.840 165 E CB 1.407 31.056 29.700 -0.084 0.000 1.082 165 E HN 0.617 nan 8.360 nan 0.000 0.395 166 A N 4.810 127.565 122.820 -0.109 0.000 2.491 166 A HA 0.185 4.505 4.320 -0.000 0.000 0.261 166 A C -2.055 175.425 177.584 -0.174 0.000 1.101 166 A CA -1.211 50.742 52.037 -0.139 0.000 0.772 166 A CB -0.347 18.584 19.000 -0.115 0.000 1.043 166 A HN 0.340 nan 8.150 nan 0.000 0.501 167 P HA 0.051 nan 4.420 nan 0.000 0.265 167 P C 0.173 177.365 177.300 -0.180 0.000 1.222 167 P CA 0.666 63.599 63.100 -0.277 0.000 0.767 167 P CB 1.196 32.346 31.700 -0.916 0.000 0.801 168 S N 3.240 118.848 115.700 -0.153 0.000 4.143 168 S HA 0.167 4.637 4.470 -0.000 0.000 0.215 168 S C 0.962 175.258 174.600 -0.506 0.000 1.163 168 S CA -0.096 57.776 58.200 -0.546 0.000 1.458 168 S CB -0.539 62.354 63.200 -0.510 0.000 1.636 168 S HN 0.388 nan 8.310 nan 0.000 0.716 169 Y N 2.596 122.837 120.300 -0.099 0.000 4.454 169 Y HA -0.322 4.228 4.550 -0.000 0.000 0.292 169 Y C 1.325 177.206 175.900 -0.030 0.000 0.956 169 Y CA 1.392 59.456 58.100 -0.060 0.000 2.287 169 Y CB -1.524 36.886 38.460 -0.083 0.000 1.284 169 Y HN 0.812 nan 8.280 nan 0.000 0.520 170 N N -1.345 117.403 118.700 0.080 0.000 2.118 170 N HA 0.107 4.846 4.740 -0.000 0.000 0.226 170 N C -0.645 174.895 175.510 0.049 0.000 1.305 170 N CA 0.266 53.345 53.050 0.050 0.000 0.890 170 N CB 0.370 38.866 38.487 0.015 0.000 1.118 170 N HN 0.012 nan 8.380 nan 0.000 0.511 171 S N 1.032 116.797 115.700 0.109 0.000 2.442 171 S HA 0.313 4.782 4.470 -0.000 0.000 0.297 171 S C -0.151 174.501 174.600 0.087 0.000 1.131 171 S CA -0.763 57.525 58.200 0.146 0.000 1.092 171 S CB 2.060 65.498 63.200 0.398 0.000 0.998 171 S HN 0.249 nan 8.310 nan 0.000 0.478 172 R N 2.038 122.520 120.500 -0.030 0.000 2.490 172 R HA 0.281 4.621 4.340 -0.000 0.000 0.278 172 R C -0.941 175.328 176.300 -0.052 0.000 1.069 172 R CA -0.448 55.628 56.100 -0.039 0.000 1.080 172 R CB 0.407 30.632 30.300 -0.126 0.000 1.030 172 R HN 0.559 nan 8.270 nan 0.000 0.491 173 F N 3.821 123.710 119.950 -0.101 0.000 2.424 173 F HA 0.163 4.690 4.527 -0.000 0.000 0.356 173 F C 0.608 176.335 175.800 -0.123 0.000 1.110 173 F CA -0.113 57.817 58.000 -0.117 0.000 1.161 173 F CB 1.091 40.050 39.000 -0.068 0.000 1.115 173 F HN 0.647 nan 8.300 nan 0.000 0.507 174 E N 2.635 122.292 120.200 -0.905 0.000 2.175 174 E HA 0.142 4.492 4.350 -0.000 0.000 0.195 174 E C 0.097 176.220 176.600 -0.795 0.000 0.934 174 E CA 0.454 56.470 56.400 -0.641 0.000 0.870 174 E CB 0.401 29.867 29.700 -0.391 0.000 0.838 174 E HN 0.507 nan 8.360 nan 0.000 0.474 175 S N -0.992 114.022 115.700 -1.143 0.000 2.645 175 S HA 0.290 4.760 4.470 -0.000 0.000 0.268 175 S C -1.720 172.627 174.600 -0.421 0.000 1.110 175 S CA -0.665 57.148 58.200 -0.646 0.000 0.823 175 S CB 1.122 64.138 63.200 -0.306 0.000 1.091 175 S HN -0.122 nan 8.310 nan 0.000 0.466 176 V N 2.124 122.008 119.914 -0.050 0.000 2.383 176 V HA 0.880 5.000 4.120 -0.000 0.000 0.275 176 V C 0.419 176.464 176.094 -0.083 0.000 1.036 176 V CA 0.485 62.812 62.300 0.046 0.000 0.889 176 V CB 0.083 31.987 31.823 0.135 0.000 0.985 176 V HN 1.167 nan 8.190 nan 0.000 0.459 177 A N 4.795 127.559 122.820 -0.093 0.000 2.583 177 A HA 0.646 4.966 4.320 -0.000 0.000 0.292 177 A C -0.612 176.934 177.584 -0.063 0.000 1.045 177 A CA -0.638 51.267 52.037 -0.219 0.000 0.672 177 A CB 1.072 19.910 19.000 -0.271 0.000 1.283 177 A HN 0.963 nan 8.150 nan 0.000 0.419 178 W N 0.547 121.847 121.300 0.000 0.000 2.684 178 W HA 0.573 5.232 4.660 -0.000 0.000 0.381 178 W C 0.001 176.540 176.519 0.034 0.000 0.975 178 W CA 0.351 57.705 57.345 0.016 0.000 1.789 178 W CB 0.189 29.655 29.460 0.010 0.000 1.161 178 W HN 1.046 nan 8.180 nan 0.000 0.564 179 S N 0.908 116.619 115.700 0.018 0.000 2.548 179 S HA 0.695 5.165 4.470 -0.000 0.000 0.278 179 S C -1.068 173.475 174.600 -0.094 0.000 1.150 179 S CA 0.213 58.436 58.200 0.039 0.000 0.907 179 S CB 1.146 64.361 63.200 0.024 0.000 1.108 179 S HN 0.473 nan 8.310 nan 0.000 0.459 180 A N 2.182 124.993 122.820 -0.015 0.000 2.536 180 A HA 0.968 5.288 4.320 -0.000 0.000 0.293 180 A C -0.634 176.889 177.584 -0.101 0.000 1.119 180 A CA -0.095 51.908 52.037 -0.057 0.000 0.654 180 A CB 0.870 19.855 19.000 -0.026 0.000 1.291 180 A HN 2.129 nan 8.150 nan 0.000 0.439 181 S N -1.188 114.435 115.700 -0.129 0.000 2.611 181 S HA 0.995 5.465 4.470 -0.000 0.000 0.268 181 S C -0.653 173.864 174.600 -0.139 0.000 1.156 181 S CA 0.164 58.206 58.200 -0.263 0.000 0.817 181 S CB 1.041 64.123 63.200 -0.196 0.000 1.122 181 S HN 2.714 nan 8.310 nan 0.000 0.466 182 A N -0.252 122.491 122.820 -0.128 0.000 2.601 182 A HA 0.934 5.254 4.320 -0.000 0.000 0.291 182 A C -0.676 176.980 177.584 0.119 0.000 1.075 182 A CA -0.320 51.633 52.037 -0.139 0.000 0.671 182 A CB 0.589 19.091 19.000 -0.829 0.000 1.277 182 A HN 2.648 nan 8.150 nan 0.000 0.417 183 c N -1.064 117.727 118.600 0.318 0.000 3.224 183 c HA 0.732 5.302 4.570 -0.000 0.000 0.348 183 c C -0.930 173.282 174.090 0.203 0.000 1.242 183 c CA -0.793 55.753 56.329 0.363 0.000 1.180 183 c CB 0.210 42.858 42.510 0.231 0.000 1.458 183 c HN 1.416 nan 8.230 nan 0.000 0.485 184 H N 0.588 119.534 119.070 -0.207 0.000 2.469 184 H HA 0.594 5.150 4.556 -0.000 0.000 0.342 184 H C 0.533 175.753 175.328 -0.179 0.000 1.115 184 H CA 0.253 56.010 56.048 -0.485 0.000 1.204 184 H CB 1.553 30.681 29.762 -1.057 0.000 1.492 184 H HN 0.836 nan 8.280 nan 0.000 0.499 185 D N 2.182 122.472 120.400 -0.183 0.000 2.349 185 D HA 0.152 4.792 4.640 -0.000 0.000 0.214 185 D C 1.421 177.737 176.300 0.027 0.000 1.063 185 D CA 0.576 54.567 54.000 -0.016 0.000 0.847 185 D CB 0.511 41.315 40.800 0.006 0.000 0.933 185 D HN 0.832 nan 8.370 nan 0.000 0.513 186 G N -1.080 107.832 108.800 0.187 0.000 2.253 186 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.209 186 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.209 186 G C 1.091 175.880 174.900 -0.186 0.000 0.997 186 G CA 0.432 45.531 45.100 -0.003 0.000 0.640 186 G HN 0.384 nan 8.290 nan 0.000 0.496 187 T N -0.297 114.183 114.554 -0.124 0.000 3.205 187 T HA 0.522 4.872 4.350 -0.000 0.000 0.238 187 T C 0.791 175.353 174.700 -0.230 0.000 0.974 187 T CA 1.361 63.392 62.100 -0.116 0.000 1.246 187 T CB 0.437 69.278 68.868 -0.045 0.000 1.007 187 T HN 0.460 nan 8.240 nan 0.000 0.414 188 S N -0.644 114.636 115.700 -0.699 0.000 2.618 188 S HA 0.524 4.994 4.470 -0.000 0.000 0.277 188 S C -1.857 172.077 174.600 -1.111 0.000 1.138 188 S CA -0.985 56.702 58.200 -0.855 0.000 0.844 188 S CB 1.405 64.029 63.200 -0.960 0.000 1.127 188 S HN 0.387 nan 8.310 nan 0.000 0.474 189 W N 1.778 122.756 121.300 -0.536 0.000 2.238 189 W HA 0.521 5.181 4.660 -0.000 0.000 0.321 189 W C -0.244 176.149 176.519 -0.211 0.000 1.293 189 W CA -0.161 57.054 57.345 -0.216 0.000 1.204 189 W CB 0.536 30.030 29.460 0.057 0.000 1.167 189 W HN 0.390 nan 8.180 nan 0.000 0.553 190 L N 4.884 126.246 121.223 0.231 0.000 2.313 190 L HA 0.680 5.020 4.340 -0.000 0.000 0.283 190 L C -0.072 176.881 176.870 0.138 0.000 1.013 190 L CA -0.202 54.751 54.840 0.189 0.000 0.816 190 L CB 1.281 43.450 42.059 0.183 0.000 1.236 190 L HN 0.370 nan 8.230 nan 0.000 0.419 191 T N 2.877 117.463 114.554 0.052 0.000 2.876 191 T HA 0.707 5.057 4.350 -0.000 0.000 0.289 191 T C -0.357 174.300 174.700 -0.072 0.000 1.014 191 T CA -0.501 61.566 62.100 -0.056 0.000 0.986 191 T CB 1.187 69.995 68.868 -0.099 0.000 1.021 191 T HN 0.504 nan 8.240 nan 0.000 0.458 192 I N 2.350 122.855 120.570 -0.108 0.000 2.420 192 I HA 0.554 4.724 4.170 -0.000 0.000 0.282 192 I C 0.433 176.456 176.117 -0.158 0.000 1.019 192 I CA -0.822 60.401 61.300 -0.128 0.000 1.130 192 I CB 1.601 39.523 38.000 -0.129 0.000 1.262 192 I HN 0.983 nan 8.210 nan 0.000 0.454 193 G N 7.511 116.204 108.800 -0.178 0.000 2.574 193 G HA2 0.677 4.637 3.960 -0.000 0.000 0.306 193 G HA3 0.677 4.637 3.960 -0.000 0.000 0.306 193 G C -0.690 174.034 174.900 -0.293 0.000 1.334 193 G CA -0.374 44.592 45.100 -0.222 0.000 0.954 193 G HN 0.464 nan 8.290 nan 0.000 0.500 194 I N 2.027 122.333 120.570 -0.440 0.000 2.331 194 I HA 0.474 4.643 4.170 -0.000 0.000 0.292 194 I C 0.442 175.941 176.117 -1.030 0.000 0.998 194 I CA -0.129 60.777 61.300 -0.657 0.000 1.267 194 I CB 1.716 39.234 38.000 -0.803 0.000 1.386 194 I HN 0.439 nan 8.210 nan 0.000 0.476 195 S N 3.576 118.871 115.700 -0.675 0.000 2.685 195 S HA 0.960 5.430 4.470 -0.000 0.000 0.282 195 S C -0.420 174.200 174.600 0.033 0.000 1.159 195 S CA 0.186 58.122 58.200 -0.440 0.000 0.833 195 S CB 1.900 65.012 63.200 -0.148 0.000 1.151 195 S HN 1.130 nan 8.310 nan 0.000 0.485 196 G N 1.624 110.640 108.800 0.359 0.000 2.434 196 G HA2 0.063 4.023 3.960 -0.000 0.000 0.671 196 G HA3 0.063 4.023 3.960 -0.000 0.000 0.671 196 G C -3.335 171.761 174.900 0.327 0.000 1.280 196 G CA -0.458 44.802 45.100 0.267 0.000 0.975 196 G HN 0.681 nan 8.290 nan 0.000 0.510 197 P HA 0.292 nan 4.420 nan 0.000 0.272 197 P C -0.113 177.236 177.300 0.082 0.000 1.230 197 P CA -0.015 63.130 63.100 0.075 0.000 0.788 197 P CB 0.723 32.446 31.700 0.038 0.000 0.949 198 D N 0.687 121.071 120.400 -0.027 0.000 2.264 198 D HA -0.129 4.511 4.640 -0.000 0.000 0.208 198 D C 1.256 177.550 176.300 -0.010 0.000 0.966 198 D CA 1.344 55.313 54.000 -0.051 0.000 0.864 198 D CB -0.516 40.207 40.800 -0.128 0.000 0.933 198 D HN 0.520 nan 8.370 nan 0.000 0.499 199 N N -0.570 118.126 118.700 -0.006 0.000 2.322 199 N HA 0.116 4.856 4.740 -0.000 0.000 0.194 199 N C 0.881 176.394 175.510 0.004 0.000 1.126 199 N CA 0.248 53.292 53.050 -0.011 0.000 0.845 199 N CB 0.530 39.008 38.487 -0.016 0.000 0.976 199 N HN 0.050 nan 8.380 nan 0.000 0.475 200 G N -1.276 107.543 108.800 0.032 0.000 5.580 200 G HA2 0.463 4.422 3.960 -0.000 0.000 0.197 200 G HA3 0.463 4.422 3.960 -0.000 0.000 0.197 200 G C -0.250 174.689 174.900 0.065 0.000 0.741 200 G CA -0.087 45.035 45.100 0.037 0.000 0.692 200 G HN 0.477 nan 8.290 nan 0.000 0.300 201 A N -0.020 122.868 122.820 0.112 0.000 2.555 201 A HA 0.547 4.867 4.320 -0.000 0.000 0.233 201 A C 0.210 177.807 177.584 0.022 0.000 1.060 201 A CA 0.368 52.492 52.037 0.144 0.000 0.759 201 A CB 1.142 20.325 19.000 0.304 0.000 0.995 201 A HN 1.344 nan 8.150 nan 0.000 0.506 202 V N 1.770 121.664 119.914 -0.034 0.000 2.656 202 V HA 0.700 4.820 4.120 -0.000 0.000 0.307 202 V C 0.157 176.169 176.094 -0.136 0.000 1.051 202 V CA -0.038 62.228 62.300 -0.057 0.000 0.893 202 V CB 1.643 33.451 31.823 -0.025 0.000 0.999 202 V HN 1.567 nan 8.190 nan 0.000 0.426 203 A N 6.128 128.865 122.820 -0.139 0.000 2.260 203 A HA 0.713 5.033 4.320 -0.000 0.000 0.308 203 A C -0.520 176.979 177.584 -0.142 0.000 1.254 203 A CA -0.389 51.536 52.037 -0.187 0.000 0.874 203 A CB 0.958 19.832 19.000 -0.210 0.000 1.153 203 A HN 1.021 nan 8.150 nan 0.000 0.527 204 V N 5.093 124.925 119.914 -0.137 0.000 2.385 204 V HA 0.216 4.336 4.120 -0.000 0.000 0.269 204 V C 0.030 176.069 176.094 -0.090 0.000 1.043 204 V CA -0.071 62.173 62.300 -0.092 0.000 0.906 204 V CB 0.727 32.508 31.823 -0.070 0.000 0.995 204 V HN 0.726 nan 8.190 nan 0.000 0.467 205 L N 6.059 127.239 121.223 -0.072 0.000 2.289 205 L HA 0.578 4.918 4.340 -0.000 0.000 0.285 205 L C 0.050 176.916 176.870 -0.007 0.000 1.049 205 L CA -0.478 54.330 54.840 -0.053 0.000 0.804 205 L CB 1.061 43.082 42.059 -0.063 0.000 1.195 205 L HN 0.526 nan 8.230 nan 0.000 0.428 206 K N 2.928 123.339 120.400 0.019 0.000 2.316 206 K HA 0.433 4.753 4.320 -0.000 0.000 0.251 206 K C -1.585 175.104 176.600 0.149 0.000 0.934 206 K CA -0.694 55.631 56.287 0.063 0.000 0.802 206 K CB 2.673 35.189 32.500 0.028 0.000 1.171 206 K HN 0.374 nan 8.250 nan 0.000 0.426 207 Y N 3.241 123.545 120.300 0.007 0.000 2.338 207 Y HA 0.127 4.677 4.550 -0.000 0.000 0.328 207 Y C 0.262 176.183 175.900 0.036 0.000 0.965 207 Y CA -0.340 57.767 58.100 0.012 0.000 1.208 207 Y CB 0.792 39.243 38.460 -0.015 0.000 1.132 207 Y HN 0.787 nan 8.280 nan 0.000 0.469 208 N N 4.137 122.707 118.700 -0.218 0.000 2.741 208 N HA -0.208 4.532 4.740 -0.000 0.000 0.250 208 N C 0.683 176.200 175.510 0.012 0.000 1.115 208 N CA 1.663 54.645 53.050 -0.115 0.000 0.724 208 N CB -1.141 37.251 38.487 -0.157 0.000 1.090 208 N HN 1.391 nan 8.380 nan 0.000 0.558 209 G N -0.670 108.152 108.800 0.037 0.000 2.176 209 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.253 209 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.253 209 G C 0.211 175.146 174.900 0.059 0.000 0.979 209 G CA 0.525 45.654 45.100 0.047 0.000 0.641 209 G HN 0.978 nan 8.290 nan 0.000 0.530 210 I N -0.821 119.791 120.570 0.070 0.000 2.441 210 I HA 0.729 4.899 4.170 -0.000 0.000 0.295 210 I C 0.613 176.771 176.117 0.069 0.000 0.994 210 I CA -1.701 59.640 61.300 0.068 0.000 1.144 210 I CB 1.267 39.309 38.000 0.070 0.000 1.314 210 I HN 0.017 nan 8.210 nan 0.000 0.445 211 I N 5.444 126.043 120.570 0.048 0.000 2.668 211 I HA -0.009 4.161 4.170 -0.000 0.000 0.285 211 I C 1.176 177.312 176.117 0.031 0.000 1.168 211 I CA 0.402 61.722 61.300 0.033 0.000 1.424 211 I CB 0.797 38.809 38.000 0.020 0.000 1.377 211 I HN 0.881 nan 8.210 nan 0.000 0.560 212 T N -0.334 114.235 114.554 0.025 0.000 2.975 212 T HA 0.247 4.597 4.350 -0.000 0.000 0.257 212 T C 0.151 174.838 174.700 -0.020 0.000 1.003 212 T CA -0.223 61.880 62.100 0.005 0.000 0.932 212 T CB 0.470 69.341 68.868 0.004 0.000 1.087 212 T HN 0.615 nan 8.240 nan 0.000 0.512 213 D N -0.919 119.468 120.400 -0.022 0.000 2.769 213 D HA 0.482 5.122 4.640 -0.000 0.000 0.309 213 D C -1.734 174.544 176.300 -0.036 0.000 1.315 213 D CA -0.135 53.847 54.000 -0.031 0.000 0.780 213 D CB 1.633 42.406 40.800 -0.044 0.000 1.312 213 D HN -0.004 nan 8.370 nan 0.000 0.437 214 T N 0.514 115.046 114.554 -0.036 0.000 2.932 214 T HA 0.651 5.000 4.350 -0.000 0.000 0.318 214 T C -1.031 173.649 174.700 -0.033 0.000 1.265 214 T CA -0.406 61.670 62.100 -0.040 0.000 1.036 214 T CB 0.930 69.786 68.868 -0.021 0.000 1.209 214 T HN 0.259 nan 8.240 nan 0.000 0.484 215 I N 2.782 123.324 120.570 -0.047 0.000 2.503 215 I HA 0.377 4.547 4.170 -0.000 0.000 0.282 215 I C -0.232 175.910 176.117 0.042 0.000 1.059 215 I CA -0.844 60.452 61.300 -0.007 0.000 1.081 215 I CB 1.888 39.811 38.000 -0.129 0.000 1.210 215 I HN 0.274 nan 8.210 nan 0.000 0.450 216 K N 3.031 123.490 120.400 0.098 0.000 2.185 216 K HA 0.308 4.628 4.320 -0.000 0.000 0.271 216 K C 0.341 177.047 176.600 0.177 0.000 1.013 216 K CA -0.243 56.106 56.287 0.102 0.000 0.943 216 K CB 1.273 33.827 32.500 0.090 0.000 0.998 216 K HN 0.515 nan 8.250 nan 0.000 0.468 217 S N 1.826 117.571 115.700 0.076 0.000 2.552 217 S HA -0.026 4.444 4.470 -0.000 0.000 0.289 217 S C 0.327 174.966 174.600 0.065 0.000 1.304 217 S CA -0.186 57.993 58.200 -0.036 0.000 1.063 217 S CB 0.170 63.317 63.200 -0.090 0.000 0.848 217 S HN 0.685 nan 8.310 nan 0.000 0.499 218 W N 5.120 126.443 121.300 0.038 0.000 3.127 218 W HA 0.527 5.187 4.660 -0.000 0.000 0.344 218 W C 1.016 177.539 176.519 0.006 0.000 1.151 218 W CA -0.590 56.768 57.345 0.022 0.000 1.765 218 W CB 0.253 29.726 29.460 0.022 0.000 1.085 218 W HN 0.471 nan 8.180 nan 0.000 0.596 219 R N 1.073 121.361 120.500 -0.354 0.000 2.531 219 R HA 0.074 4.414 4.340 -0.000 0.000 0.316 219 R C 0.231 176.433 176.300 -0.164 0.000 0.955 219 R CA 0.003 55.968 56.100 -0.225 0.000 1.120 219 R CB -0.858 29.242 30.300 -0.334 0.000 1.361 219 R HN 0.167 nan 8.270 nan 0.000 0.534 220 N N 1.899 120.509 118.700 -0.150 0.000 2.696 220 N HA -0.230 4.510 4.740 -0.000 0.000 0.249 220 N C -0.430 175.025 175.510 -0.092 0.000 1.090 220 N CA 0.929 53.927 53.050 -0.087 0.000 0.716 220 N CB -1.070 37.392 38.487 -0.042 0.000 1.020 220 N HN 0.227 nan 8.380 nan 0.000 0.548 221 N N 0.682 119.301 118.700 -0.136 0.000 2.750 221 N HA 0.297 5.036 4.740 -0.000 0.000 0.253 221 N C -0.228 175.230 175.510 -0.088 0.000 1.408 221 N CA -0.402 52.586 53.050 -0.104 0.000 0.780 221 N CB -0.153 38.270 38.487 -0.107 0.000 1.191 221 N HN 0.263 nan 8.380 nan 0.000 0.511 222 I N 0.804 121.353 120.570 -0.034 0.000 7.179 222 I HA -0.318 3.852 4.170 -0.000 0.000 0.126 222 I C -0.252 175.932 176.117 0.111 0.000 1.827 222 I CA -0.013 61.320 61.300 0.055 0.000 2.067 222 I CB -0.787 37.211 38.000 -0.003 0.000 3.592 222 I HN 0.339 nan 8.210 nan 0.000 0.178 223 L N 6.293 127.569 121.223 0.087 0.000 2.559 223 L HA 0.271 4.611 4.340 -0.000 0.000 0.274 223 L C 0.861 177.796 176.870 0.108 0.000 1.205 223 L CA 0.841 55.657 54.840 -0.040 0.000 0.907 223 L CB 0.231 42.226 42.059 -0.108 0.000 1.153 223 L HN 0.498 nan 8.230 nan 0.000 0.490 224 R N 2.492 123.039 120.500 0.078 0.000 2.799 224 R HA 0.801 5.141 4.340 -0.000 0.000 0.270 224 R C -0.854 175.501 176.300 0.090 0.000 1.010 224 R CA -0.846 55.332 56.100 0.130 0.000 0.916 224 R CB 1.538 31.979 30.300 0.235 0.000 1.228 224 R HN 0.546 nan 8.270 nan 0.000 0.469 225 T N -1.441 113.158 114.554 0.074 0.000 2.669 225 T HA 0.144 4.494 4.350 -0.000 0.000 0.283 225 T C 0.655 175.397 174.700 0.070 0.000 1.019 225 T CA -0.483 61.656 62.100 0.064 0.000 1.039 225 T CB 1.610 70.474 68.868 -0.005 0.000 1.374 225 T HN 0.684 nan 8.240 nan 0.000 0.523 226 Q N 0.289 120.115 119.800 0.043 0.000 2.142 226 Q HA -0.201 4.139 4.340 -0.000 0.000 0.213 226 Q C -0.132 175.885 176.000 0.028 0.000 1.004 226 Q CA 2.018 57.838 55.803 0.029 0.000 0.883 226 Q CB -0.142 28.582 28.738 -0.023 0.000 0.939 226 Q HN 0.639 nan 8.270 nan 0.000 0.413 227 E N -0.630 119.542 120.200 -0.047 0.000 2.957 227 E HA -0.146 4.204 4.350 -0.000 0.000 0.287 227 E C -0.525 175.950 176.600 -0.209 0.000 0.976 227 E CA 1.162 57.582 56.400 0.033 0.000 0.907 227 E CB -2.000 27.880 29.700 0.299 0.000 1.456 227 E HN 0.525 nan 8.360 nan 0.000 0.421 228 S N -2.155 113.084 115.700 -0.767 0.000 2.683 228 S HA 0.369 4.839 4.470 -0.000 0.000 0.269 228 S C -0.447 173.597 174.600 -0.926 0.000 1.165 228 S CA -0.726 56.817 58.200 -1.096 0.000 0.840 228 S CB 1.991 65.281 63.200 0.151 0.000 1.169 228 S HN 0.142 nan 8.310 nan 0.000 0.490 229 E N 0.241 120.305 120.200 -0.226 0.000 2.442 229 E HA 0.266 4.616 4.350 -0.000 0.000 0.262 229 E C 0.257 176.929 176.600 0.121 0.000 1.004 229 E CA -0.240 56.238 56.400 0.129 0.000 0.928 229 E CB 0.099 30.062 29.700 0.438 0.000 0.937 229 E HN 0.726 nan 8.360 nan 0.000 0.446 230 c N 2.332 121.014 118.600 0.137 0.000 2.365 230 c HA 0.895 5.465 4.570 -0.000 0.000 0.374 230 c C 0.307 174.535 174.090 0.231 0.000 1.318 230 c CA -0.766 55.664 56.329 0.168 0.000 2.239 230 c CB 0.257 42.852 42.510 0.141 0.000 2.144 230 c HN 0.756 nan 8.230 nan 0.000 0.581 231 A N -0.630 122.350 122.820 0.266 0.000 2.342 231 A HA 0.712 5.032 4.320 -0.000 0.000 0.323 231 A C -0.724 177.070 177.584 0.350 0.000 1.125 231 A CA -0.292 51.911 52.037 0.276 0.000 0.785 231 A CB 0.424 19.547 19.000 0.206 0.000 1.221 231 A HN 1.040 nan 8.150 nan 0.000 0.463 232 c N 1.652 120.416 118.600 0.273 0.000 2.417 232 c HA 0.817 5.387 4.570 -0.000 0.000 0.324 232 c C -0.076 174.165 174.090 0.252 0.000 1.240 232 c CA -0.533 55.950 56.329 0.256 0.000 1.632 232 c CB 0.745 43.343 42.510 0.147 0.000 2.241 232 c HN 0.677 nan 8.230 nan 0.000 0.499 233 V N 2.355 122.459 119.914 0.316 0.000 2.888 233 V HA 0.483 4.603 4.120 -0.000 0.000 0.309 233 V C 0.234 176.443 176.094 0.192 0.000 1.114 233 V CA -0.607 61.837 62.300 0.239 0.000 0.940 233 V CB 1.884 33.854 31.823 0.245 0.000 1.021 233 V HN 0.940 nan 8.190 nan 0.000 0.426 234 N N 2.499 121.268 118.700 0.117 0.000 2.685 234 N HA -0.230 4.510 4.740 -0.000 0.000 0.251 234 N C 1.051 176.598 175.510 0.063 0.000 1.020 234 N CA 2.126 55.224 53.050 0.081 0.000 0.762 234 N CB -0.902 37.634 38.487 0.082 0.000 0.958 234 N HN 1.841 nan 8.380 nan 0.000 0.539 235 G N -3.176 105.655 108.800 0.052 0.000 2.175 235 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 235 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 235 G C -0.037 174.846 174.900 -0.029 0.000 0.982 235 G CA 0.326 45.433 45.100 0.011 0.000 0.641 235 G HN 0.716 nan 8.290 nan 0.000 0.527 236 S N -0.543 115.142 115.700 -0.026 0.000 2.501 236 S HA 0.677 5.147 4.470 -0.000 0.000 0.301 236 S C -0.047 174.391 174.600 -0.271 0.000 1.096 236 S CA -0.371 57.698 58.200 -0.219 0.000 1.063 236 S CB 2.259 65.254 63.200 -0.341 0.000 1.042 236 S HN 0.595 nan 8.310 nan 0.000 0.494 237 c N 3.027 121.408 118.600 -0.365 0.000 2.351 237 c HA 0.702 5.272 4.570 -0.000 0.000 0.326 237 c C -0.727 173.175 174.090 -0.314 0.000 1.272 237 c CA -0.864 55.369 56.329 -0.160 0.000 1.650 237 c CB -0.613 41.891 42.510 -0.010 0.000 2.257 237 c HN 0.790 nan 8.230 nan 0.000 0.505 238 F N 1.357 121.404 119.950 0.163 0.000 2.469 238 F HA 0.692 5.218 4.527 -0.000 0.000 0.332 238 F C 0.582 176.516 175.800 0.224 0.000 1.103 238 F CA -0.390 57.747 58.000 0.228 0.000 0.979 238 F CB 1.727 40.974 39.000 0.410 0.000 1.137 238 F HN 0.484 nan 8.300 nan 0.000 0.463 239 T N 1.672 116.452 114.554 0.376 0.000 2.883 239 T HA 0.789 5.139 4.350 -0.000 0.000 0.296 239 T C -1.699 173.189 174.700 0.314 0.000 1.117 239 T CA -0.546 61.723 62.100 0.281 0.000 1.006 239 T CB 1.551 70.502 68.868 0.139 0.000 1.191 239 T HN 0.342 nan 8.240 nan 0.000 0.508 240 V N 3.815 123.881 119.914 0.253 0.000 2.540 240 V HA 0.642 4.762 4.120 -0.000 0.000 0.302 240 V C -0.356 175.889 176.094 0.252 0.000 1.035 240 V CA -0.718 61.727 62.300 0.241 0.000 0.873 240 V CB 1.647 33.568 31.823 0.162 0.000 0.992 240 V HN 0.856 nan 8.190 nan 0.000 0.428 241 M N 2.556 122.378 119.600 0.371 0.000 2.591 241 M HA 0.622 5.101 4.480 -0.000 0.000 0.306 241 M C -0.668 175.901 176.300 0.449 0.000 1.190 241 M CA -0.417 55.108 55.300 0.375 0.000 0.889 241 M CB 2.774 35.636 32.600 0.437 0.000 1.728 241 M HN 0.562 nan 8.290 nan 0.000 0.458 242 T N 0.400 115.133 114.554 0.299 0.000 2.893 242 T HA 0.529 4.879 4.350 -0.000 0.000 0.291 242 T C -1.558 173.124 174.700 -0.030 0.000 1.028 242 T CA -0.538 61.714 62.100 0.254 0.000 0.995 242 T CB 1.729 70.753 68.868 0.259 0.000 1.051 242 T HN 0.563 nan 8.240 nan 0.000 0.470 243 D N 0.319 120.603 120.400 -0.193 0.000 2.890 243 D HA 0.606 5.246 4.640 -0.000 0.000 0.233 243 D C -0.162 175.962 176.300 -0.293 0.000 1.306 243 D CA 0.327 54.042 54.000 -0.474 0.000 0.929 243 D CB 1.413 41.393 40.800 -1.367 0.000 1.512 243 D HN 0.967 nan 8.370 nan 0.000 0.568 244 G N 2.835 111.528 108.800 -0.179 0.000 2.369 244 G HA2 0.142 4.102 3.960 -0.000 0.000 0.295 244 G HA3 0.142 4.102 3.960 -0.000 0.000 0.295 244 G C -3.026 171.844 174.900 -0.051 0.000 1.298 244 G CA -0.868 44.158 45.100 -0.122 0.000 0.940 244 G HN 0.337 nan 8.290 nan 0.000 0.536 245 P HA 0.221 nan 4.420 nan 0.000 0.271 245 P C 0.849 178.171 177.300 0.037 0.000 1.218 245 P CA 0.544 63.611 63.100 -0.055 0.000 0.780 245 P CB 1.324 32.940 31.700 -0.140 0.000 0.901 246 S N 0.627 116.353 115.700 0.044 0.000 2.631 246 S HA 0.045 4.515 4.470 -0.000 0.000 0.217 246 S C 0.837 175.370 174.600 -0.112 0.000 0.958 246 S CA -0.108 58.172 58.200 0.132 0.000 0.920 246 S CB -0.604 62.685 63.200 0.149 0.000 0.776 246 S HN 0.328 nan 8.310 nan 0.000 0.517 247 N N 2.039 120.589 118.700 -0.250 0.000 1.784 247 N HA 0.349 5.089 4.740 -0.000 0.000 0.206 247 N C 1.183 176.068 175.510 -1.042 0.000 1.201 247 N CA 0.325 53.136 53.050 -0.398 0.000 1.029 247 N CB -1.181 37.155 38.487 -0.252 0.000 1.344 247 N HN 0.363 nan 8.380 nan 0.000 0.412 248 G N 0.960 109.069 108.800 -1.152 0.000 2.518 248 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.284 248 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.284 248 G C 0.119 174.024 174.900 -1.659 0.000 1.362 248 G CA -0.048 43.835 45.100 -2.028 0.000 1.065 248 G HN 0.219 nan 8.290 nan 0.000 0.561 249 Q N -0.849 118.122 119.800 -1.383 0.000 2.394 249 Q HA 0.281 4.621 4.340 -0.000 0.000 0.347 249 Q C 0.460 176.329 176.000 -0.218 0.000 1.144 249 Q CA 0.981 56.497 55.803 -0.478 0.000 1.050 249 Q CB 0.503 29.149 28.738 -0.154 0.000 1.188 249 Q HN 0.775 nan 8.270 nan 0.000 0.406 250 A N 1.814 124.600 122.820 -0.055 0.000 2.524 250 A HA 0.668 4.988 4.320 -0.000 0.000 0.286 250 A C -0.961 176.226 177.584 -0.662 0.000 1.203 250 A CA -0.277 51.642 52.037 -0.197 0.000 0.736 250 A CB 1.864 20.907 19.000 0.072 0.000 1.322 250 A HN 0.552 nan 8.150 nan 0.000 0.424 251 S N -0.559 114.815 115.700 -0.544 0.000 2.451 251 S HA 0.723 5.193 4.470 -0.000 0.000 0.301 251 S C -1.596 172.771 174.600 -0.389 0.000 1.116 251 S CA -0.312 57.644 58.200 -0.407 0.000 1.093 251 S CB 0.067 63.404 63.200 0.228 0.000 1.017 251 S HN 0.453 nan 8.310 nan 0.000 0.482 252 Y N 2.889 123.311 120.300 0.203 0.000 2.376 252 Y HA 0.579 5.129 4.550 -0.000 0.000 0.340 252 Y C 0.274 176.145 175.900 -0.050 0.000 0.965 252 Y CA -1.017 57.153 58.100 0.117 0.000 1.078 252 Y CB 1.569 40.015 38.460 -0.023 0.000 1.193 252 Y HN 0.399 nan 8.280 nan 0.000 0.452 253 K N 3.883 124.340 120.400 0.095 0.000 2.371 253 K HA 0.626 4.945 4.320 -0.000 0.000 0.251 253 K C -1.288 175.158 176.600 -0.257 0.000 0.934 253 K CA -0.752 55.364 56.287 -0.285 0.000 0.798 253 K CB 2.687 34.782 32.500 -0.675 0.000 1.204 253 K HN 0.613 nan 8.250 nan 0.000 0.427 254 I N 3.045 123.318 120.570 -0.495 0.000 2.359 254 I HA 0.351 4.520 4.170 -0.000 0.000 0.294 254 I C -0.754 175.065 176.117 -0.497 0.000 0.987 254 I CA -0.667 60.374 61.300 -0.431 0.000 1.225 254 I CB 0.625 38.173 38.000 -0.753 0.000 1.366 254 I HN 0.337 nan 8.210 nan 0.000 0.466 255 F N 4.866 124.742 119.950 -0.124 0.000 2.492 255 F HA 0.528 5.054 4.527 -0.000 0.000 0.327 255 F C 0.136 175.905 175.800 -0.052 0.000 1.079 255 F CA -0.779 57.167 58.000 -0.090 0.000 0.967 255 F CB 1.686 40.648 39.000 -0.063 0.000 1.169 255 F HN 0.271 nan 8.300 nan 0.000 0.472 256 K N 4.953 125.385 120.400 0.053 0.000 2.463 256 K HA 0.655 4.975 4.320 -0.000 0.000 0.255 256 K C -1.375 175.124 176.600 -0.169 0.000 0.942 256 K CA -0.655 55.511 56.287 -0.203 0.000 0.814 256 K CB 1.127 33.538 32.500 -0.149 0.000 1.122 256 K HN 0.791 nan 8.250 nan 0.000 0.425 257 M N 1.632 121.081 119.600 -0.252 0.000 2.501 257 M HA 0.511 4.991 4.480 -0.000 0.000 0.293 257 M C -1.455 174.713 176.300 -0.220 0.000 1.192 257 M CA -0.771 54.424 55.300 -0.174 0.000 0.886 257 M CB 2.225 34.760 32.600 -0.108 0.000 1.710 257 M HN 0.443 nan 8.290 nan 0.000 0.457 258 E N 1.297 121.375 120.200 -0.203 0.000 2.234 258 E HA 0.411 4.760 4.350 -0.000 0.000 0.266 258 E C -1.103 175.291 176.600 -0.344 0.000 0.877 258 E CA -0.849 55.410 56.400 -0.235 0.000 0.758 258 E CB 2.124 31.716 29.700 -0.181 0.000 1.170 258 E HN 0.715 nan 8.360 nan 0.000 0.415 259 K N 1.362 121.406 120.400 -0.594 0.000 3.035 259 K HA -0.277 4.043 4.320 -0.000 0.000 0.262 259 K C 0.605 176.724 176.600 -0.802 0.000 1.024 259 K CA 0.590 56.162 56.287 -1.192 0.000 0.748 259 K CB -1.564 30.517 32.500 -0.699 0.000 1.247 259 K HN 1.119 nan 8.250 nan 0.000 0.482 260 G N 0.485 109.022 108.800 -0.438 0.000 2.155 260 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.257 260 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.257 260 G C -0.093 174.736 174.900 -0.120 0.000 0.983 260 G CA 0.974 45.994 45.100 -0.134 0.000 0.676 260 G HN 0.430 nan 8.290 nan 0.000 0.528 261 K N 0.443 120.749 120.400 -0.156 0.000 2.323 261 K HA 0.598 4.918 4.320 -0.000 0.000 0.259 261 K C 0.418 176.967 176.600 -0.086 0.000 0.947 261 K CA -0.854 55.371 56.287 -0.104 0.000 0.819 261 K CB 1.665 34.101 32.500 -0.106 0.000 1.109 261 K HN 0.008 nan 8.250 nan 0.000 0.429 262 V N 5.288 125.176 119.914 -0.043 0.000 2.529 262 V HA -0.033 4.087 4.120 -0.000 0.000 0.292 262 V C 1.142 177.222 176.094 -0.022 0.000 1.028 262 V CA 0.119 62.420 62.300 0.001 0.000 1.074 262 V CB 0.914 32.790 31.823 0.088 0.000 0.958 262 V HN 0.766 nan 8.190 nan 0.000 0.481 263 V N 1.534 121.423 119.914 -0.042 0.000 3.645 263 V HA 0.494 4.614 4.120 -0.000 0.000 0.275 263 V C 0.356 176.422 176.094 -0.045 0.000 1.356 263 V CA 0.383 62.653 62.300 -0.050 0.000 1.051 263 V CB -0.172 31.611 31.823 -0.067 0.000 0.828 263 V HN 0.811 nan 8.190 nan 0.000 0.441 264 K N 0.624 120.996 120.400 -0.047 0.000 2.622 264 K HA 0.568 4.888 4.320 -0.000 0.000 0.273 264 K C -1.492 175.027 176.600 -0.135 0.000 0.957 264 K CA 0.408 56.649 56.287 -0.076 0.000 0.861 264 K CB 2.188 34.653 32.500 -0.058 0.000 1.405 264 K HN 0.478 nan 8.250 nan 0.000 0.406 265 S N 0.578 116.135 115.700 -0.239 0.000 2.556 265 S HA 0.743 5.213 4.470 -0.000 0.000 0.271 265 S C -1.496 172.853 174.600 -0.419 0.000 1.135 265 S CA -0.716 57.193 58.200 -0.485 0.000 0.858 265 S CB 2.042 64.771 63.200 -0.785 0.000 1.114 265 S HN 0.251 nan 8.310 nan 0.000 0.468 266 V N 1.633 121.256 119.914 -0.485 0.000 2.686 266 V HA 0.513 4.633 4.120 -0.000 0.000 0.306 266 V C -0.549 175.295 176.094 -0.416 0.000 1.065 266 V CA -0.591 61.504 62.300 -0.341 0.000 0.894 266 V CB 1.744 33.455 31.823 -0.187 0.000 1.004 266 V HN 1.039 nan 8.190 nan 0.000 0.424 267 E N 4.575 124.572 120.200 -0.339 0.000 2.200 267 E HA 0.466 4.816 4.350 -0.000 0.000 0.283 267 E C -0.869 175.589 176.600 -0.236 0.000 1.015 267 E CA -0.605 55.600 56.400 -0.325 0.000 0.819 267 E CB 1.020 30.541 29.700 -0.299 0.000 1.081 267 E HN 0.613 nan 8.360 nan 0.000 0.397 268 L N 4.160 125.204 121.223 -0.298 0.000 2.462 268 L HA 0.060 4.400 4.340 -0.000 0.000 0.272 268 L C 0.304 177.135 176.870 -0.066 0.000 1.166 268 L CA -0.006 54.617 54.840 -0.362 0.000 0.880 268 L CB 0.277 42.075 42.059 -0.434 0.000 1.142 268 L HN 0.634 nan 8.230 nan 0.000 0.473 269 D N 3.681 124.112 120.400 0.052 0.000 2.522 269 D HA 0.343 4.983 4.640 -0.000 0.000 0.218 269 D C -0.054 176.293 176.300 0.078 0.000 1.149 269 D CA -0.107 53.948 54.000 0.092 0.000 0.981 269 D CB 0.662 41.534 40.800 0.120 0.000 1.041 269 D HN 0.527 nan 8.370 nan 0.000 0.518 270 A N 4.571 127.459 122.820 0.113 0.000 3.248 270 A HA 0.368 4.688 4.320 -0.000 0.000 0.315 270 A C -2.475 175.316 177.584 0.345 0.000 0.974 270 A CA -1.197 50.881 52.037 0.069 0.000 0.939 270 A CB 0.333 19.329 19.000 -0.006 0.000 1.061 270 A HN 0.365 nan 8.150 nan 0.000 0.481 271 P HA 0.077 nan 4.420 nan 0.000 0.267 271 P C 0.152 177.741 177.300 0.482 0.000 1.205 271 P CA 0.669 63.985 63.100 0.359 0.000 0.765 271 P CB 0.860 32.703 31.700 0.237 0.000 0.828 272 N N 0.779 119.827 118.700 0.580 0.000 2.994 272 N HA -0.174 4.566 4.740 -0.000 0.000 0.221 272 N C -1.170 174.620 175.510 0.467 0.000 0.900 272 N CA 1.011 54.334 53.050 0.455 0.000 1.008 272 N CB -1.812 36.796 38.487 0.202 0.000 1.053 272 N HN 0.335 nan 8.380 nan 0.000 0.580 273 Y N 0.508 121.090 120.300 0.470 0.000 2.534 273 Y HA 0.620 5.170 4.550 -0.000 0.000 0.329 273 Y C 0.554 176.731 175.900 0.461 0.000 1.154 273 Y CA -0.444 57.876 58.100 0.366 0.000 1.192 273 Y CB 1.300 39.887 38.460 0.213 0.000 1.275 273 Y HN 0.085 nan 8.280 nan 0.000 0.491 274 H N 1.777 120.918 119.070 0.120 0.000 2.934 274 H HA 0.314 4.870 4.556 -0.000 0.000 0.340 274 H C -2.032 173.046 175.328 -0.417 0.000 1.008 274 H CA -0.587 55.490 56.048 0.049 0.000 1.317 274 H CB 0.999 30.962 29.762 0.334 0.000 1.670 274 H HN 0.684 nan 8.280 nan 0.000 0.516 275 Y N 2.666 122.443 120.300 -0.871 0.000 2.376 275 Y HA 0.392 4.942 4.550 -0.000 0.000 0.340 275 Y C -0.035 175.660 175.900 -0.343 0.000 0.965 275 Y CA -0.522 57.253 58.100 -0.542 0.000 1.078 275 Y CB 2.110 40.224 38.460 -0.576 0.000 1.193 275 Y HN 0.551 nan 8.280 nan 0.000 0.452 276 E N 1.120 121.313 120.200 -0.012 0.000 2.392 276 E HA 0.231 4.581 4.350 -0.000 0.000 0.279 276 E C -1.316 175.322 176.600 0.063 0.000 0.964 276 E CA -1.064 55.362 56.400 0.044 0.000 0.777 276 E CB 1.924 31.657 29.700 0.055 0.000 1.249 276 E HN 0.671 nan 8.360 nan 0.000 0.449 277 E N 0.216 120.470 120.200 0.089 0.000 2.160 277 E HA -0.245 4.105 4.350 -0.000 0.000 0.180 277 E C -0.773 175.872 176.600 0.075 0.000 1.452 277 E CA 0.113 56.561 56.400 0.080 0.000 0.683 277 E CB -1.593 28.124 29.700 0.028 0.000 1.072 277 E HN 0.311 nan 8.360 nan 0.000 0.332 278 c N 1.419 120.083 118.600 0.106 0.000 2.644 278 c HA 0.173 4.743 4.570 -0.000 0.000 0.417 278 c C 1.206 175.378 174.090 0.138 0.000 1.304 278 c CA -0.252 56.154 56.329 0.129 0.000 2.035 278 c CB 0.664 43.264 42.510 0.150 0.000 2.673 278 c HN 0.433 nan 8.230 nan 0.000 0.602 279 S N 2.027 117.822 115.700 0.158 0.000 2.474 279 S HA 0.344 4.814 4.470 -0.000 0.000 0.320 279 S C -0.334 174.393 174.600 0.213 0.000 1.067 279 S CA -0.414 57.900 58.200 0.189 0.000 1.127 279 S CB 0.153 63.469 63.200 0.193 0.000 0.971 279 S HN 0.823 nan 8.310 nan 0.000 0.472 280 c N 3.910 122.634 118.600 0.207 0.000 2.391 280 c HA 0.840 5.410 4.570 -0.000 0.000 0.339 280 c C -0.376 173.867 174.090 0.254 0.000 1.205 280 c CA -0.952 55.467 56.329 0.151 0.000 1.937 280 c CB -0.390 42.189 42.510 0.116 0.000 2.341 280 c HN 0.905 nan 8.230 nan 0.000 0.516 281 Y N 1.047 121.411 120.300 0.106 0.000 2.562 281 Y HA 0.812 5.362 4.550 -0.000 0.000 0.345 281 Y C -3.162 172.763 175.900 0.042 0.000 1.045 281 Y CA -3.028 55.157 58.100 0.142 0.000 1.028 281 Y CB 0.836 39.462 38.460 0.276 0.000 1.297 281 Y HN 0.436 nan 8.280 nan 0.000 0.463 282 P HA 0.294 nan 4.420 nan 0.000 0.290 282 P C -1.364 175.997 177.300 0.103 0.000 1.275 282 P CA -0.402 62.716 63.100 0.030 0.000 0.841 282 P CB 1.911 33.657 31.700 0.077 0.000 1.042 283 N N 1.498 120.181 118.700 -0.028 0.000 2.655 283 N HA 0.313 5.053 4.740 -0.000 0.000 0.277 283 N C -0.789 174.679 175.510 -0.070 0.000 1.177 283 N CA 0.020 53.064 53.050 -0.010 0.000 0.882 283 N CB 0.758 39.260 38.487 0.026 0.000 1.481 283 N HN 0.552 nan 8.380 nan 0.000 0.547 284 A N 2.393 125.185 122.820 -0.047 0.000 2.519 284 A HA 0.085 4.405 4.320 -0.000 0.000 0.297 284 A C 1.521 179.071 177.584 -0.057 0.000 1.472 284 A CA 1.986 53.993 52.037 -0.049 0.000 0.739 284 A CB -2.055 16.911 19.000 -0.058 0.000 1.096 284 A HN 2.110 nan 8.150 nan 0.000 0.414 285 G N -1.544 107.230 108.800 -0.045 0.000 2.257 285 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.267 285 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.267 285 G C 0.016 174.853 174.900 -0.106 0.000 0.984 285 G CA 1.263 46.336 45.100 -0.045 0.000 0.626 285 G HN 1.390 nan 8.290 nan 0.000 0.540 286 E N -0.708 119.393 120.200 -0.165 0.000 2.299 286 E HA 0.712 5.062 4.350 -0.000 0.000 0.260 286 E C -0.876 175.479 176.600 -0.409 0.000 0.944 286 E CA -1.111 55.121 56.400 -0.280 0.000 0.815 286 E CB 1.667 31.231 29.700 -0.228 0.000 1.252 286 E HN 0.128 nan 8.360 nan 0.000 0.418 287 I N 0.623 120.792 120.570 -0.669 0.000 2.493 287 I HA 0.282 4.452 4.170 -0.000 0.000 0.298 287 I C -0.230 175.381 176.117 -0.843 0.000 0.998 287 I CA -0.249 60.572 61.300 -0.798 0.000 1.137 287 I CB 2.048 39.422 38.000 -1.043 0.000 1.310 287 I HN 0.325 nan 8.210 nan 0.000 0.445 288 T N 3.865 117.945 114.554 -0.789 0.000 2.881 288 T HA 0.538 4.888 4.350 -0.000 0.000 0.290 288 T C -1.151 173.286 174.700 -0.438 0.000 1.000 288 T CA -0.422 61.308 62.100 -0.617 0.000 0.978 288 T CB 0.997 69.418 68.868 -0.745 0.000 0.997 288 T HN 0.550 nan 8.240 nan 0.000 0.443 289 c N 2.810 121.374 118.600 -0.061 0.000 2.441 289 c HA 0.720 5.290 4.570 -0.000 0.000 0.318 289 c C 0.063 174.320 174.090 0.279 0.000 1.222 289 c CA -0.887 55.508 56.329 0.109 0.000 1.474 289 c CB 0.843 43.435 42.510 0.137 0.000 2.125 289 c HN 0.705 nan 8.230 nan 0.000 0.479 290 V N 2.862 122.939 119.914 0.271 0.000 2.347 290 V HA 0.461 4.581 4.120 -0.000 0.000 0.280 290 V C 0.243 176.438 176.094 0.168 0.000 1.021 290 V CA 0.016 62.473 62.300 0.261 0.000 0.847 290 V CB 0.706 32.665 31.823 0.228 0.000 0.990 290 V HN 1.165 nan 8.190 nan 0.000 0.444 291 c N 4.029 122.707 118.600 0.130 0.000 3.018 291 c HA 0.719 5.289 4.570 -0.000 0.000 0.393 291 c C 0.274 174.347 174.090 -0.029 0.000 2.195 291 c CA -1.013 55.363 56.329 0.078 0.000 1.696 291 c CB 1.399 44.017 42.510 0.179 0.000 2.455 291 c HN 0.880 nan 8.230 nan 0.000 0.478 292 R N 1.121 121.598 120.500 -0.038 0.000 2.387 292 R HA 0.416 4.756 4.340 -0.000 0.000 0.314 292 R C -1.704 174.584 176.300 -0.020 0.000 0.958 292 R CA -0.024 56.044 56.100 -0.053 0.000 0.846 292 R CB 0.923 31.183 30.300 -0.067 0.000 1.147 292 R HN 0.809 nan 8.270 nan 0.000 0.447 293 D N 3.212 123.623 120.400 0.018 0.000 2.443 293 D HA 0.087 4.727 4.640 -0.000 0.000 0.221 293 D C -0.106 176.335 176.300 0.235 0.000 1.097 293 D CA -0.296 53.811 54.000 0.179 0.000 0.865 293 D CB 1.188 42.089 40.800 0.168 0.000 1.034 293 D HN 0.642 nan 8.370 nan 0.000 0.511 294 N N 3.136 122.083 118.700 0.412 0.000 2.412 294 N HA -0.001 4.739 4.740 -0.000 0.000 0.184 294 N C 0.916 176.484 175.510 0.096 0.000 1.101 294 N CA 0.137 53.311 53.050 0.206 0.000 0.881 294 N CB 0.091 38.738 38.487 0.266 0.000 0.969 294 N HN 0.496 nan 8.380 nan 0.000 0.459 295 W N 1.129 122.232 121.300 -0.329 0.000 2.539 295 W HA 0.031 4.690 4.660 -0.000 0.000 0.315 295 W C 0.249 176.673 176.519 -0.158 0.000 1.148 295 W CA 1.844 58.917 57.345 -0.452 0.000 1.403 295 W CB -0.592 28.386 29.460 -0.804 0.000 1.168 295 W HN 0.338 nan 8.180 nan 0.000 0.489 296 H N -1.941 117.054 119.070 -0.125 0.000 3.407 296 H HA 0.517 5.073 4.556 -0.000 0.000 0.222 296 H C -0.393 174.770 175.328 -0.275 0.000 1.357 296 H CA -0.949 54.918 56.048 -0.301 0.000 1.145 296 H CB -0.456 28.921 29.762 -0.641 0.000 2.622 296 H HN 0.073 nan 8.280 nan 0.000 0.556 297 G N -0.450 108.391 108.800 0.068 0.000 2.643 297 G HA2 0.446 4.406 3.960 -0.000 0.000 0.305 297 G HA3 0.446 4.406 3.960 -0.000 0.000 0.305 297 G C 0.031 174.923 174.900 -0.014 0.000 1.387 297 G CA -0.518 44.574 45.100 -0.012 0.000 0.982 297 G HN 0.159 nan 8.290 nan 0.000 0.501 298 S N 1.013 116.648 115.700 -0.109 0.000 2.439 298 S HA -0.009 4.461 4.470 -0.000 0.000 0.224 298 S C 1.300 175.899 174.600 -0.001 0.000 1.029 298 S CA 0.220 58.340 58.200 -0.134 0.000 0.946 298 S CB -0.111 62.842 63.200 -0.413 0.000 0.797 298 S HN 0.830 nan 8.310 nan 0.000 0.504 299 N N 1.962 120.707 118.700 0.076 0.000 2.434 299 N HA 0.199 4.939 4.740 -0.000 0.000 0.266 299 N C -0.523 175.048 175.510 0.102 0.000 1.223 299 N CA -0.373 52.777 53.050 0.167 0.000 0.972 299 N CB 0.402 39.023 38.487 0.224 0.000 1.207 299 N HN 0.071 nan 8.380 nan 0.000 0.525 300 R N -0.047 120.456 120.500 0.004 0.000 2.312 300 R HA 0.427 4.767 4.340 -0.000 0.000 0.311 300 R C -2.115 173.974 176.300 -0.352 0.000 1.004 300 R CA -1.544 54.481 56.100 -0.125 0.000 0.902 300 R CB 1.312 31.562 30.300 -0.083 0.000 1.073 300 R HN 0.552 nan 8.270 nan 0.000 0.457 301 P HA 0.182 nan 4.420 nan 0.000 0.279 301 P C -0.872 176.277 177.300 -0.252 0.000 1.252 301 P CA -0.329 62.056 63.100 -1.192 0.000 0.811 301 P CB 0.905 31.588 31.700 -1.696 0.000 1.035 302 W N -0.219 121.047 121.300 -0.058 0.000 3.062 302 W HA 0.657 5.316 4.660 -0.000 0.000 0.336 302 W C -2.389 174.330 176.519 0.333 0.000 1.224 302 W CA -1.252 56.215 57.345 0.203 0.000 1.159 302 W CB 0.928 30.500 29.460 0.187 0.000 1.454 302 W HN -0.012 nan 8.180 nan 0.000 0.569 303 V N 2.287 122.609 119.914 0.679 0.000 2.733 303 V HA 0.466 4.586 4.120 -0.000 0.000 0.306 303 V C -0.353 175.999 176.094 0.430 0.000 1.084 303 V CA -0.690 61.891 62.300 0.468 0.000 0.905 303 V CB 1.708 33.597 31.823 0.111 0.000 1.010 303 V HN 0.640 nan 8.190 nan 0.000 0.424 304 S N 4.011 119.983 115.700 0.454 0.000 2.538 304 S HA 0.976 5.446 4.470 -0.000 0.000 0.288 304 S C -1.012 173.686 174.600 0.163 0.000 1.108 304 S CA -0.678 57.563 58.200 0.068 0.000 0.971 304 S CB 2.083 65.321 63.200 0.064 0.000 1.041 304 S HN 1.046 nan 8.310 nan 0.000 0.483 305 F N -0.453 119.496 119.950 -0.002 0.000 2.668 305 F HA 0.748 5.274 4.527 -0.000 0.000 0.309 305 F C -0.714 175.002 175.800 -0.140 0.000 1.117 305 F CA -1.170 56.823 58.000 -0.011 0.000 0.951 305 F CB 0.553 39.576 39.000 0.039 0.000 1.323 305 F HN 0.632 nan 8.300 nan 0.000 0.451 309 N N 1.034 119.839 118.700 0.175 0.000 2.328 309 N HA 0.156 4.896 4.740 -0.000 0.000 0.247 309 N C -0.195 175.371 175.510 0.094 0.000 1.165 309 N CA 0.122 53.244 53.050 0.121 0.000 0.873 309 N CB 0.953 39.481 38.487 0.068 0.000 1.125 309 N HN 0.058 nan 8.380 nan 0.000 0.513 310 L N 0.415 121.716 121.223 0.129 0.000 4.137 310 L HA -0.273 4.067 4.340 -0.000 0.000 0.421 310 L C -0.106 176.830 176.870 0.109 0.000 1.162 310 L CA 1.033 55.896 54.840 0.038 0.000 0.978 310 L CB -2.157 39.861 42.059 -0.069 0.000 1.957 310 L HN 0.287 nan 8.230 nan 0.000 0.978 311 E N -0.142 120.120 120.200 0.104 0.000 2.223 311 E HA 0.449 4.799 4.350 -0.000 0.000 0.282 311 E C -0.090 176.577 176.600 0.112 0.000 1.046 311 E CA -0.282 56.131 56.400 0.021 0.000 0.857 311 E CB 0.582 30.275 29.700 -0.011 0.000 1.055 311 E HN 0.400 nan 8.360 nan 0.000 0.409 312 Y N 0.039 120.384 120.300 0.076 0.000 2.662 312 Y HA 0.576 5.126 4.550 -0.000 0.000 0.335 312 Y C -0.620 175.357 175.900 0.128 0.000 1.066 312 Y CA -1.266 56.922 58.100 0.147 0.000 1.116 312 Y CB 1.304 39.848 38.460 0.141 0.000 1.308 312 Y HN 0.281 nan 8.280 nan 0.000 0.502 313 Q N 1.694 121.765 119.800 0.452 0.000 2.389 313 Q HA 0.716 5.056 4.340 -0.000 0.000 0.277 313 Q C -1.285 174.962 176.000 0.411 0.000 1.082 313 Q CA -1.044 54.989 55.803 0.384 0.000 0.810 313 Q CB 3.541 32.540 28.738 0.435 0.000 1.374 313 Q HN 0.839 nan 8.270 nan 0.000 0.422 314 I N -2.829 117.770 120.570 0.049 0.000 3.174 314 I HA 1.002 5.172 4.170 -0.000 0.000 0.313 314 I C -0.200 175.415 176.117 -0.837 0.000 1.155 314 I CA -0.804 60.245 61.300 -0.418 0.000 0.977 314 I CB 2.482 40.318 38.000 -0.273 0.000 1.248 314 I HN 0.729 nan 8.210 nan 0.000 0.453 315 G N 1.069 109.251 108.800 -1.029 0.000 2.336 315 G HA2 0.415 4.375 3.960 -0.000 0.000 0.286 315 G HA3 0.415 4.375 3.960 -0.000 0.000 0.286 315 G C -2.514 171.909 174.900 -0.794 0.000 1.269 315 G CA -0.618 44.090 45.100 -0.653 0.000 0.873 315 G HN 0.638 nan 8.290 nan 0.000 0.494 316 Y N -0.540 119.448 120.300 -0.520 0.000 2.524 316 Y HA 0.623 5.173 4.550 -0.000 0.000 0.347 316 Y C 0.627 176.473 175.900 -0.089 0.000 1.005 316 Y CA -0.863 57.064 58.100 -0.289 0.000 1.025 316 Y CB 1.909 40.188 38.460 -0.302 0.000 1.275 316 Y HN 0.500 nan 8.280 nan 0.000 0.460 317 I N 2.657 123.205 120.570 -0.036 0.000 2.587 317 I HA -0.072 4.098 4.170 -0.000 0.000 0.284 317 I C 0.378 176.424 176.117 -0.117 0.000 1.134 317 I CA 0.182 61.308 61.300 -0.290 0.000 1.410 317 I CB 0.351 38.186 38.000 -0.275 0.000 1.392 317 I HN 0.767 nan 8.210 nan 0.000 0.545 318 c N 3.220 121.740 118.600 -0.134 0.000 2.562 318 c HA -0.009 4.560 4.570 -0.000 0.000 0.266 318 c C 1.695 175.726 174.090 -0.098 0.000 1.382 318 c CA -0.232 56.056 56.329 -0.068 0.000 1.742 318 c CB -1.378 41.108 42.510 -0.040 0.000 1.812 318 c HN 0.860 nan 8.230 nan 0.000 0.559 319 S N 1.211 116.823 115.700 -0.147 0.000 2.563 319 S HA 0.310 4.780 4.470 -0.000 0.000 0.284 319 S C 1.376 175.744 174.600 -0.386 0.000 1.331 319 S CA 0.457 58.526 58.200 -0.219 0.000 1.047 319 S CB 0.712 63.776 63.200 -0.228 0.000 0.859 319 S HN 0.598 nan 8.310 nan 0.000 0.514 320 G N 2.726 111.249 108.800 -0.461 0.000 2.848 320 G HA2 0.102 4.062 3.960 -0.000 0.000 0.208 320 G HA3 0.102 4.062 3.960 -0.000 0.000 0.208 320 G C 0.160 174.346 174.900 -1.189 0.000 1.152 320 G CA -0.033 44.558 45.100 -0.848 0.000 0.789 320 G HN 0.634 nan 8.290 nan 0.000 0.531 321 V N 2.662 122.145 119.914 -0.719 0.000 2.276 321 V HA 0.267 4.387 4.120 -0.000 0.000 0.249 321 V C -0.285 175.502 176.094 -0.513 0.000 1.160 321 V CA -0.893 61.070 62.300 -0.563 0.000 1.042 321 V CB -0.967 30.583 31.823 -0.454 0.000 1.224 321 V HN 0.197 nan 8.190 nan 0.000 0.496 322 F N 1.923 121.790 119.950 -0.138 0.000 2.529 322 F HA 0.368 4.895 4.527 -0.000 0.000 0.365 322 F C 1.565 177.272 175.800 -0.155 0.000 1.102 322 F CA 0.255 58.179 58.000 -0.126 0.000 1.271 322 F CB 0.685 39.628 39.000 -0.095 0.000 1.120 322 F HN 0.433 nan 8.300 nan 0.000 0.579 323 G N 0.827 109.635 108.800 0.013 0.000 3.044 323 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.223 323 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.223 323 G C 0.008 174.864 174.900 -0.074 0.000 1.123 323 G CA -0.052 44.988 45.100 -0.100 0.000 0.765 323 G HN 0.531 nan 8.290 nan 0.000 0.546 324 D N 0.296 120.688 120.400 -0.014 0.000 2.451 324 D HA 0.254 4.894 4.640 -0.000 0.000 0.259 324 D C -0.581 175.715 176.300 -0.006 0.000 1.201 324 D CA -0.514 53.471 54.000 -0.026 0.000 1.028 324 D CB 0.865 41.653 40.800 -0.020 0.000 1.095 324 D HN 0.032 nan 8.370 nan 0.000 0.539 325 N N 0.568 119.267 118.700 -0.003 0.000 2.478 325 N HA 0.245 4.984 4.740 -0.000 0.000 0.291 325 N C -2.949 172.593 175.510 0.053 0.000 1.090 325 N CA -1.306 51.770 53.050 0.043 0.000 0.911 325 N CB 2.573 41.107 38.487 0.079 0.000 1.546 325 N HN 0.137 nan 8.380 nan 0.000 0.500 326 P HA 0.228 nan 4.420 nan 0.000 0.282 326 P C -0.754 176.563 177.300 0.028 0.000 1.286 326 P CA 0.107 63.263 63.100 0.094 0.000 0.777 326 P CB 1.132 32.906 31.700 0.124 0.000 1.184 327 R N -3.272 117.227 120.500 -0.001 0.000 2.829 327 R HA 0.493 4.833 4.340 -0.000 0.000 0.283 327 R C -3.199 173.051 176.300 -0.083 0.000 1.013 327 R CA -1.609 54.445 56.100 -0.077 0.000 0.848 327 R CB 0.185 30.469 30.300 -0.027 0.000 1.291 327 R HN 0.187 nan 8.270 nan 0.000 0.496 328 P HA 0.194 nan 4.420 nan 0.000 0.283 328 P C -0.889 176.445 177.300 0.056 0.000 1.278 328 P CA -0.627 62.404 63.100 -0.115 0.000 0.834 328 P CB 0.691 32.241 31.700 -0.250 0.000 1.150 329 N N 0.540 119.289 118.700 0.082 0.000 2.381 329 N HA 0.021 4.761 4.740 -0.000 0.000 0.241 329 N C -0.229 175.435 175.510 0.257 0.000 1.279 329 N CA 0.275 53.402 53.050 0.128 0.000 0.896 329 N CB 0.012 38.542 38.487 0.073 0.000 1.118 329 N HN 0.356 nan 8.380 nan 0.000 0.438 330 D N 0.673 121.174 120.400 0.168 0.000 2.368 330 D HA 0.137 4.777 4.640 -0.000 0.000 0.268 330 D C 0.899 177.242 176.300 0.072 0.000 1.298 330 D CA 0.268 54.306 54.000 0.064 0.000 0.938 330 D CB 0.355 41.100 40.800 -0.091 0.000 1.101 330 D HN 0.548 nan 8.370 nan 0.000 0.509 331 G N 1.349 110.259 108.800 0.183 0.000 3.306 331 G HA2 0.288 4.248 3.960 -0.000 0.000 0.202 331 G HA3 0.288 4.248 3.960 -0.000 0.000 0.202 331 G C -0.367 174.556 174.900 0.038 0.000 1.673 331 G CA -0.213 44.960 45.100 0.122 0.000 0.776 331 G HN 0.337 nan 8.290 nan 0.000 0.740 332 T N 0.457 115.078 114.554 0.113 0.000 2.786 332 T HA 0.614 4.964 4.350 -0.000 0.000 0.283 332 T C 0.348 175.131 174.700 0.138 0.000 0.992 332 T CA 0.026 62.153 62.100 0.045 0.000 0.954 332 T CB 1.215 70.096 68.868 0.020 0.000 0.934 332 T HN 0.633 nan 8.240 nan 0.000 0.440 340 P HA -0.160 nan 4.420 nan 0.000 0.252 340 P C 0.402 177.319 177.300 -0.638 0.000 1.084 340 P CA 0.344 62.761 63.100 -1.139 0.000 0.762 340 P CB 0.314 31.340 31.700 -1.123 0.000 0.657 341 V N 3.942 123.615 119.914 -0.402 0.000 2.427 341 V HA 0.021 4.141 4.120 -0.000 0.000 0.268 341 V C 1.993 177.875 176.094 -0.353 0.000 1.046 341 V CA 0.902 62.998 62.300 -0.340 0.000 0.970 341 V CB 0.533 32.154 31.823 -0.336 0.000 1.001 341 V HN 0.697 nan 8.190 nan 0.000 0.476 342 S N 2.534 118.020 115.700 -0.356 0.000 2.489 342 S HA -0.050 4.420 4.470 -0.000 0.000 0.228 342 S C 1.137 175.606 174.600 -0.218 0.000 0.995 342 S CA 0.321 58.340 58.200 -0.303 0.000 0.934 342 S CB -0.208 62.800 63.200 -0.319 0.000 0.771 342 S HN 0.858 nan 8.310 nan 0.000 0.522 343 S N 2.574 118.128 115.700 -0.244 0.000 2.503 343 S HA 0.332 4.802 4.470 -0.000 0.000 0.317 343 S C 0.556 175.030 174.600 -0.209 0.000 1.162 343 S CA -0.391 57.683 58.200 -0.210 0.000 1.124 343 S CB -0.387 62.681 63.200 -0.219 0.000 1.207 343 S HN 0.473 nan 8.310 nan 0.000 0.538 344 N N 2.105 120.728 118.700 -0.129 0.000 2.962 344 N HA -0.140 4.600 4.740 -0.000 0.000 0.206 344 N C 0.650 176.130 175.510 -0.050 0.000 0.907 344 N CA 1.461 54.462 53.050 -0.082 0.000 1.029 344 N CB -1.559 36.869 38.487 -0.097 0.000 1.009 344 N HN 0.863 nan 8.380 nan 0.000 0.587 345 G N 0.065 108.814 108.800 -0.085 0.000 3.574 345 G HA2 0.485 4.445 3.960 -0.000 0.000 0.262 345 G HA3 0.485 4.445 3.960 -0.000 0.000 0.262 345 G C 0.983 175.905 174.900 0.038 0.000 1.231 345 G CA 0.634 45.714 45.100 -0.033 0.000 1.608 345 G HN 0.490 nan 8.290 nan 0.000 0.628 346 A N -0.455 122.410 122.820 0.075 0.000 2.302 346 A HA 0.533 4.852 4.320 -0.000 0.000 0.219 346 A C 0.384 178.100 177.584 0.219 0.000 1.243 346 A CA 0.068 52.179 52.037 0.124 0.000 0.856 346 A CB -0.066 18.989 19.000 0.093 0.000 0.893 346 A HN 0.573 nan 8.150 nan 0.000 0.491 347 Y N -1.936 118.394 120.300 0.050 0.000 2.871 347 Y HA 0.537 5.087 4.550 -0.000 0.000 0.236 347 Y C 0.361 176.308 175.900 0.078 0.000 2.263 347 Y CA -0.121 58.019 58.100 0.067 0.000 0.950 347 Y CB 0.196 38.692 38.460 0.059 0.000 2.467 347 Y HN 0.618 nan 8.280 nan 0.000 0.376 348 G N 0.358 108.763 108.800 -0.659 0.000 2.362 348 G HA2 0.438 4.398 3.960 -0.000 0.000 0.288 348 G HA3 0.438 4.398 3.960 -0.000 0.000 0.288 348 G C -2.423 172.180 174.900 -0.496 0.000 1.305 348 G CA -0.123 44.722 45.100 -0.425 0.000 0.910 348 G HN 1.235 nan 8.290 nan 0.000 0.518 349 V N -0.145 119.623 119.914 -0.243 0.000 2.969 349 V HA 0.711 4.831 4.120 -0.000 0.000 0.304 349 V C -0.061 175.854 176.094 -0.299 0.000 1.192 349 V CA -0.624 61.556 62.300 -0.199 0.000 0.962 349 V CB 1.837 33.658 31.823 -0.003 0.000 1.045 349 V HN 1.135 nan 8.190 nan 0.000 0.428 350 K N 3.643 123.637 120.400 -0.677 0.000 2.472 350 K HA 0.502 4.822 4.320 -0.000 0.000 0.280 350 K C 0.055 176.521 176.600 -0.222 0.000 1.028 350 K CA 1.017 56.992 56.287 -0.521 0.000 1.045 350 K CB 0.385 32.394 32.500 -0.818 0.000 0.902 350 K HN 1.004 nan 8.250 nan 0.000 0.478 351 G N 2.780 111.519 108.800 -0.101 0.000 2.866 351 G HA2 0.701 4.661 3.960 -0.000 0.000 0.289 351 G HA3 0.701 4.661 3.960 -0.000 0.000 0.289 351 G C -1.474 173.447 174.900 0.035 0.000 1.396 351 G CA -0.917 44.159 45.100 -0.040 0.000 0.848 351 G HN 0.655 nan 8.290 nan 0.000 0.515 352 F N -2.387 117.483 119.950 -0.134 0.000 2.923 352 F HA 0.896 5.423 4.527 -0.000 0.000 0.323 352 F C -0.564 175.122 175.800 -0.191 0.000 1.189 352 F CA -1.402 56.493 58.000 -0.176 0.000 0.930 352 F CB 1.591 40.414 39.000 -0.295 0.000 1.414 352 F HN 0.643 nan 8.300 nan 0.000 0.496 353 S N -0.273 115.368 115.700 -0.098 0.000 2.580 353 S HA 0.560 5.030 4.470 -0.000 0.000 0.281 353 S C -2.014 172.588 174.600 0.003 0.000 1.129 353 S CA -0.726 57.430 58.200 -0.074 0.000 0.862 353 S CB 1.115 64.359 63.200 0.074 0.000 1.090 353 S HN 0.595 nan 8.310 nan 0.000 0.451 354 F N 2.343 122.559 119.950 0.443 0.000 2.427 354 F HA 0.463 4.989 4.527 -0.000 0.000 0.348 354 F C 0.354 176.395 175.800 0.402 0.000 1.125 354 F CA -0.683 57.500 58.000 0.306 0.000 0.989 354 F CB 1.354 40.568 39.000 0.358 0.000 1.165 354 F HN 0.317 nan 8.300 nan 0.000 0.442 355 K N 4.123 124.694 120.400 0.285 0.000 2.297 355 K HA 0.282 4.602 4.320 -0.000 0.000 0.286 355 K C -1.767 174.812 176.600 -0.036 0.000 1.053 355 K CA -0.273 55.965 56.287 -0.081 0.000 0.940 355 K CB 0.549 32.413 32.500 -1.060 0.000 1.019 355 K HN 0.634 nan 8.250 nan 0.000 0.475 356 Y N 3.723 124.094 120.300 0.120 0.000 2.646 356 Y HA 0.242 4.792 4.550 -0.000 0.000 0.334 356 Y C 0.821 176.781 175.900 0.100 0.000 1.004 356 Y CA 0.461 58.654 58.100 0.155 0.000 1.301 356 Y CB 1.549 40.201 38.460 0.320 0.000 1.093 356 Y HN 1.077 nan 8.280 nan 0.000 0.530 357 G N 2.487 111.321 108.800 0.057 0.000 2.557 357 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.292 357 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.292 357 G C 0.891 175.780 174.900 -0.019 0.000 1.162 357 G CA 0.611 45.729 45.100 0.031 0.000 0.964 357 G HN 0.510 nan 8.290 nan 0.000 0.541 358 N N 2.601 121.332 118.700 0.052 0.000 2.236 358 N HA 0.290 5.030 4.740 -0.000 0.000 0.196 358 N C 0.911 176.461 175.510 0.068 0.000 1.114 358 N CA 1.016 54.106 53.050 0.066 0.000 0.859 358 N CB 0.674 39.199 38.487 0.063 0.000 0.982 358 N HN 0.819 nan 8.380 nan 0.000 0.493 359 G N 0.009 108.838 108.800 0.048 0.000 2.488 359 G HA2 0.582 4.542 3.960 -0.000 0.000 0.318 359 G HA3 0.582 4.542 3.960 -0.000 0.000 0.318 359 G C -0.558 174.373 174.900 0.051 0.000 1.188 359 G CA -0.263 44.724 45.100 -0.189 0.000 0.944 359 G HN -0.071 nan 8.290 nan 0.000 0.495 360 V N -1.734 118.103 119.914 -0.129 0.000 2.971 360 V HA 0.528 4.648 4.120 -0.000 0.000 0.309 360 V C -1.586 174.675 176.094 0.279 0.000 1.130 360 V CA -1.045 61.418 62.300 0.271 0.000 0.964 360 V CB 2.203 34.193 31.823 0.278 0.000 1.029 360 V HN 0.793 nan 8.190 nan 0.000 0.427 361 W N 3.120 124.758 121.300 0.564 0.000 2.294 361 W HA 0.738 5.398 4.660 -0.000 0.000 0.314 361 W C -0.390 176.221 176.519 0.153 0.000 1.044 361 W CA -0.235 57.431 57.345 0.535 0.000 1.284 361 W CB 1.436 31.365 29.460 0.782 0.000 1.231 361 W HN 0.420 nan 8.180 nan 0.000 0.419 362 I N 4.226 124.886 120.570 0.150 0.000 2.336 362 I HA 0.452 4.622 4.170 -0.000 0.000 0.292 362 I C 0.819 176.682 176.117 -0.423 0.000 0.991 362 I CA -0.645 60.541 61.300 -0.190 0.000 1.227 362 I CB 1.119 38.973 38.000 -0.244 0.000 1.366 362 I HN 0.443 nan 8.210 nan 0.000 0.466 363 G N 6.565 114.867 108.800 -0.831 0.000 2.370 363 G HA2 0.721 4.680 3.960 -0.000 0.000 0.317 363 G HA3 0.721 4.680 3.960 -0.000 0.000 0.317 363 G C -0.662 173.658 174.900 -0.966 0.000 1.162 363 G CA -0.540 43.925 45.100 -1.058 0.000 0.922 363 G HN 0.775 nan 8.290 nan 0.000 0.454 364 R N 0.270 120.064 120.500 -1.176 0.000 2.734 364 R HA 0.685 5.025 4.340 -0.000 0.000 0.271 364 R C -0.155 175.752 176.300 -0.656 0.000 1.021 364 R CA -0.827 54.868 56.100 -0.675 0.000 0.893 364 R CB 0.588 30.651 30.300 -0.394 0.000 1.244 364 R HN 0.519 nan 8.270 nan 0.000 0.464 365 T N -0.890 113.578 114.554 -0.143 0.000 2.856 365 T HA 0.171 4.521 4.350 -0.000 0.000 0.306 365 T C 0.700 175.367 174.700 -0.056 0.000 1.062 365 T CA -0.506 61.621 62.100 0.046 0.000 1.083 365 T CB 0.963 69.923 68.868 0.155 0.000 0.984 365 T HN 0.702 nan 8.240 nan 0.000 0.542 366 K N 0.478 120.877 120.400 -0.002 0.000 2.243 366 K HA 0.092 4.412 4.320 -0.000 0.000 0.201 366 K C 1.381 177.980 176.600 -0.001 0.000 1.051 366 K CA 0.236 56.509 56.287 -0.023 0.000 0.970 366 K CB 0.080 32.581 32.500 0.002 0.000 0.755 366 K HN 0.569 nan 8.250 nan 0.000 0.465 367 S N 0.531 116.248 115.700 0.028 0.000 2.632 367 S HA 0.069 4.539 4.470 -0.000 0.000 0.271 367 S C 1.013 175.641 174.600 0.047 0.000 1.260 367 S CA -0.516 57.706 58.200 0.038 0.000 1.010 367 S CB 1.194 64.428 63.200 0.057 0.000 0.965 367 S HN 0.324 nan 8.310 nan 0.000 0.534 368 T N 0.635 115.217 114.554 0.047 0.000 3.069 368 T HA 0.319 4.669 4.350 -0.000 0.000 0.252 368 T C 0.683 175.421 174.700 0.063 0.000 1.053 368 T CA -0.176 61.953 62.100 0.048 0.000 0.964 368 T CB -0.176 68.715 68.868 0.037 0.000 1.005 368 T HN 0.564 nan 8.240 nan 0.000 0.532 369 N N 0.279 119.028 118.700 0.082 0.000 2.325 369 N HA 0.222 4.962 4.740 -0.000 0.000 0.220 369 N C -0.259 175.341 175.510 0.150 0.000 1.176 369 N CA 0.013 53.124 53.050 0.102 0.000 0.861 369 N CB 1.309 39.845 38.487 0.081 0.000 1.230 369 N HN 0.236 nan 8.380 nan 0.000 0.479 370 S N 0.178 115.981 115.700 0.172 0.000 2.600 370 S HA 0.437 4.907 4.470 -0.000 0.000 0.300 370 S C 0.118 174.884 174.600 0.276 0.000 1.087 370 S CA -0.665 57.690 58.200 0.258 0.000 0.965 370 S CB 2.346 65.751 63.200 0.340 0.000 1.089 370 S HN 0.044 nan 8.310 nan 0.000 0.496 371 R N 2.014 122.724 120.500 0.350 0.000 4.164 371 R HA 0.216 4.556 4.340 -0.000 0.000 0.195 371 R C -0.302 176.257 176.300 0.433 0.000 1.712 371 R CA -0.147 56.163 56.100 0.349 0.000 1.457 371 R CB -0.471 30.027 30.300 0.330 0.000 1.387 371 R HN 0.585 nan 8.270 nan 0.000 0.785 372 S N -0.652 115.231 115.700 0.304 0.000 2.521 372 S HA 0.799 5.269 4.470 -0.000 0.000 0.295 372 S C 0.318 174.997 174.600 0.131 0.000 1.098 372 S CA -0.368 57.935 58.200 0.172 0.000 0.999 372 S CB 2.379 65.523 63.200 -0.094 0.000 1.034 372 S HN 0.601 nan 8.310 nan 0.000 0.483 373 G N 0.851 109.731 108.800 0.133 0.000 2.860 373 G HA2 0.158 4.118 3.960 -0.000 0.000 0.553 373 G HA3 0.158 4.118 3.960 -0.000 0.000 0.553 373 G C -1.035 174.054 174.900 0.315 0.000 1.439 373 G CA -0.220 44.977 45.100 0.160 0.000 0.879 373 G HN 1.670 nan 8.290 nan 0.000 0.545 374 F N 0.387 120.390 119.950 0.089 0.000 2.725 374 F HA 0.576 5.103 4.527 -0.000 0.000 0.311 374 F C -0.670 175.165 175.800 0.059 0.000 1.121 374 F CA 0.086 58.135 58.000 0.081 0.000 0.978 374 F CB 1.539 40.630 39.000 0.151 0.000 1.274 374 F HN 1.112 nan 8.300 nan 0.000 0.440 375 E N 4.858 124.723 120.200 -0.559 0.000 2.412 375 E HA 0.560 4.909 4.350 -0.000 0.000 0.279 375 E C -1.915 174.410 176.600 -0.459 0.000 0.984 375 E CA -1.236 54.988 56.400 -0.293 0.000 0.788 375 E CB 2.421 32.016 29.700 -0.174 0.000 1.277 375 E HN 0.367 nan 8.360 nan 0.000 0.455 376 M N 2.350 121.863 119.600 -0.146 0.000 2.167 376 M HA 0.485 4.965 4.480 -0.000 0.000 0.333 376 M C -0.884 175.555 176.300 0.233 0.000 1.030 376 M CA -0.599 54.677 55.300 -0.039 0.000 0.963 376 M CB 0.639 33.218 32.600 -0.035 0.000 1.589 376 M HN 0.607 nan 8.290 nan 0.000 0.431 377 I N 2.439 123.070 120.570 0.100 0.000 2.474 377 I HA 0.386 4.556 4.170 -0.000 0.000 0.294 377 I C -0.882 175.168 176.117 -0.111 0.000 1.005 377 I CA -0.539 60.727 61.300 -0.056 0.000 1.113 377 I CB 2.265 39.963 38.000 -0.504 0.000 1.289 377 I HN 0.709 nan 8.210 nan 0.000 0.436 378 W N 7.597 128.578 121.300 -0.532 0.000 2.278 378 W HA 0.321 4.981 4.660 -0.000 0.000 0.317 378 W C -1.185 175.134 176.519 -0.333 0.000 1.030 378 W CA -0.518 56.272 57.345 -0.926 0.000 1.334 378 W CB 1.233 29.849 29.460 -1.408 0.000 1.215 378 W HN 0.464 nan 8.180 nan 0.000 0.405 379 D N 9.477 129.382 120.400 -0.825 0.000 2.473 379 D HA 0.281 4.921 4.640 -0.000 0.000 0.226 379 D C -2.188 173.479 176.300 -1.055 0.000 1.089 379 D CA -2.312 51.289 54.000 -0.666 0.000 0.883 379 D CB 1.501 42.095 40.800 -0.344 0.000 1.029 379 D HN 0.090 nan 8.370 nan 0.000 0.517 380 P HA 0.057 nan 4.420 nan 0.000 0.269 380 P C -0.331 176.713 177.300 -0.425 0.000 1.215 380 P CA -0.191 62.337 63.100 -0.952 0.000 0.780 380 P CB 0.473 31.887 31.700 -0.477 0.000 0.898 381 N N 0.406 118.965 118.700 -0.234 0.000 2.686 381 N HA -0.174 4.566 4.740 -0.000 0.000 0.261 381 N C 0.824 176.270 175.510 -0.106 0.000 1.001 381 N CA 1.347 54.339 53.050 -0.097 0.000 0.764 381 N CB -1.779 36.667 38.487 -0.067 0.000 0.898 381 N HN 0.820 nan 8.380 nan 0.000 0.544 382 G N -1.909 106.827 108.800 -0.107 0.000 3.581 382 G HA2 0.015 3.975 3.960 -0.000 0.000 0.248 382 G HA3 0.015 3.975 3.960 -0.000 0.000 0.248 382 G C 0.700 175.602 174.900 0.003 0.000 1.037 382 G CA -0.105 44.936 45.100 -0.099 0.000 0.902 382 G HN 0.468 nan 8.290 nan 0.000 0.512 383 W N 2.313 123.553 121.300 -0.099 0.000 2.704 383 W HA 0.056 4.716 4.660 -0.000 0.000 0.266 383 W C 1.329 177.858 176.519 0.018 0.000 1.266 383 W CA 1.632 58.950 57.345 -0.046 0.000 1.377 383 W CB 0.303 29.722 29.460 -0.068 0.000 1.082 383 W HN 0.206 nan 8.180 nan 0.000 0.608 384 T N -2.547 112.125 114.554 0.197 0.000 2.975 384 T HA 0.167 4.517 4.350 -0.000 0.000 0.257 384 T C 0.281 175.018 174.700 0.062 0.000 1.003 384 T CA -0.002 62.188 62.100 0.150 0.000 0.932 384 T CB 0.554 69.543 68.868 0.202 0.000 1.087 384 T HN -0.251 nan 8.240 nan 0.000 0.512 385 E N 1.799 122.013 120.200 0.023 0.000 2.243 385 E HA 0.527 4.877 4.350 -0.000 0.000 0.260 385 E C -0.902 175.672 176.600 -0.043 0.000 0.985 385 E CA -0.528 55.866 56.400 -0.010 0.000 0.858 385 E CB 1.686 31.373 29.700 -0.023 0.000 1.210 385 E HN 0.095 nan 8.360 nan 0.000 0.411 386 T N 2.094 116.620 114.554 -0.047 0.000 2.788 386 T HA 0.467 4.817 4.350 -0.000 0.000 0.296 386 T C -0.721 173.932 174.700 -0.079 0.000 1.009 386 T CA -0.696 61.364 62.100 -0.067 0.000 0.949 386 T CB 0.574 69.415 68.868 -0.045 0.000 0.946 386 T HN 0.194 nan 8.240 nan 0.000 0.453 387 D N 0.893 121.224 120.400 -0.114 0.000 2.752 387 D HA 0.475 5.115 4.640 -0.000 0.000 0.313 387 D C 0.277 176.492 176.300 -0.140 0.000 1.225 387 D CA -0.618 53.319 54.000 -0.104 0.000 0.976 387 D CB 1.817 42.564 40.800 -0.089 0.000 1.443 387 D HN 0.306 nan 8.370 nan 0.000 0.515 388 S N -0.912 114.734 115.700 -0.089 0.000 2.649 388 S HA 0.097 4.566 4.470 -0.000 0.000 0.246 388 S C 0.533 175.166 174.600 0.056 0.000 1.057 388 S CA -0.335 57.823 58.200 -0.070 0.000 1.051 388 S CB 0.525 63.698 63.200 -0.045 0.000 1.018 388 S HN 0.478 nan 8.310 nan 0.000 0.569 389 S N 2.222 117.929 115.700 0.011 0.000 2.585 389 S HA 0.813 5.283 4.470 -0.000 0.000 0.277 389 S C -0.462 174.176 174.600 0.064 0.000 1.241 389 S CA -0.690 57.502 58.200 -0.015 0.000 1.041 389 S CB 0.626 63.762 63.200 -0.106 0.000 0.987 389 S HN 0.416 nan 8.310 nan 0.000 0.512 390 F N -1.429 118.419 119.950 -0.170 0.000 2.741 390 F HA 0.677 5.203 4.527 -0.000 0.000 0.313 390 F C 0.503 176.211 175.800 -0.154 0.000 1.153 390 F CA -0.728 57.135 58.000 -0.228 0.000 0.931 390 F CB 0.832 39.686 39.000 -0.242 0.000 1.335 390 F HN 0.484 nan 8.300 nan 0.000 0.460 391 S N -0.648 114.976 115.700 -0.126 0.000 2.497 391 S HA 0.456 4.926 4.470 -0.000 0.000 0.221 391 S C 0.159 174.787 174.600 0.047 0.000 1.037 391 S CA 0.349 58.491 58.200 -0.097 0.000 0.920 391 S CB 0.365 63.580 63.200 0.025 0.000 0.800 391 S HN 0.479 nan 8.310 nan 0.000 0.505 395 Q N 4.031 124.027 119.800 0.326 0.000 2.309 395 Q HA 0.250 4.590 4.340 -0.000 0.000 0.270 395 Q C -1.120 175.030 176.000 0.250 0.000 1.023 395 Q CA -0.743 55.254 55.803 0.323 0.000 0.758 395 Q CB 1.323 30.317 28.738 0.428 0.000 1.247 395 Q HN 0.521 nan 8.270 nan 0.000 0.455 396 D N 4.137 124.687 120.400 0.249 0.000 2.372 396 D HA 0.166 4.806 4.640 -0.000 0.000 0.243 396 D C 0.667 177.168 176.300 0.335 0.000 1.121 396 D CA 0.312 54.452 54.000 0.233 0.000 0.898 396 D CB 1.388 42.310 40.800 0.203 0.000 1.202 396 D HN 0.638 nan 8.370 nan 0.000 0.428 397 I N -0.250 120.524 120.570 0.340 0.000 4.399 397 I HA 0.004 4.174 4.170 -0.000 0.000 0.301 397 I C -0.237 176.184 176.117 0.507 0.000 1.198 397 I CA 0.245 61.846 61.300 0.502 0.000 1.315 397 I CB 1.022 39.275 38.000 0.422 0.000 1.452 397 I HN 0.048 nan 8.210 nan 0.000 0.457 398 V N 1.932 122.064 119.914 0.363 0.000 2.567 398 V HA 0.563 4.683 4.120 -0.000 0.000 0.298 398 V C -0.017 176.165 176.094 0.147 0.000 1.047 398 V CA -1.072 61.384 62.300 0.259 0.000 0.880 398 V CB 1.512 33.526 31.823 0.319 0.000 1.009 398 V HN 0.224 nan 8.190 nan 0.000 0.429 399 A N 4.474 127.322 122.820 0.047 0.000 2.507 399 A HA 0.388 4.708 4.320 -0.000 0.000 0.235 399 A C 1.268 178.844 177.584 -0.013 0.000 1.070 399 A CA 0.061 52.100 52.037 0.004 0.000 0.768 399 A CB -0.006 18.963 19.000 -0.052 0.000 1.011 399 A HN 0.880 nan 8.150 nan 0.000 0.502 400 I N 1.230 121.787 120.570 -0.022 0.000 2.530 400 I HA -0.250 3.920 4.170 -0.000 0.000 0.257 400 I C 2.387 178.423 176.117 -0.134 0.000 1.179 400 I CA 1.853 63.123 61.300 -0.051 0.000 1.440 400 I CB -0.827 37.150 38.000 -0.038 0.000 1.087 400 I HN 0.874 nan 8.210 nan 0.000 0.440 401 T N -3.158 111.312 114.554 -0.141 0.000 3.055 401 T HA 0.028 4.378 4.350 -0.000 0.000 0.265 401 T C 0.666 175.170 174.700 -0.327 0.000 1.111 401 T CA 0.286 62.261 62.100 -0.209 0.000 1.118 401 T CB -0.194 68.591 68.868 -0.138 0.000 0.909 401 T HN 0.171 nan 8.240 nan 0.000 0.501 402 D N 0.200 120.446 120.400 -0.257 0.000 2.228 402 D HA 0.304 4.944 4.640 -0.000 0.000 0.247 402 D C -0.826 175.336 176.300 -0.230 0.000 0.995 402 D CA -0.644 53.200 54.000 -0.260 0.000 0.903 402 D CB 1.208 41.969 40.800 -0.066 0.000 1.205 402 D HN 0.387 nan 8.370 nan 0.000 0.459 403 W N 1.144 122.494 121.300 0.083 0.000 2.218 403 W HA 0.212 4.872 4.660 -0.000 0.000 0.326 403 W C 1.352 177.951 176.519 0.133 0.000 1.276 403 W CA -0.269 57.135 57.345 0.098 0.000 1.210 403 W CB 0.718 30.221 29.460 0.071 0.000 1.143 403 W HN 0.307 nan 8.180 nan 0.000 0.563 404 S N 1.507 117.466 115.700 0.431 0.000 4.094 404 S HA 0.970 5.440 4.470 -0.000 0.000 0.236 404 S C 0.256 175.054 174.600 0.331 0.000 1.056 404 S CA -0.083 58.320 58.200 0.338 0.000 1.564 404 S CB 1.318 64.724 63.200 0.343 0.000 1.097 404 S HN 1.054 nan 8.310 nan 0.000 0.734 405 G N -0.380 108.614 108.800 0.324 0.000 2.470 405 G HA2 0.247 4.207 3.960 -0.000 0.000 0.145 405 G HA3 0.247 4.207 3.960 -0.000 0.000 0.145 405 G C -1.652 173.510 174.900 0.437 0.000 1.223 405 G CA -0.632 44.684 45.100 0.360 0.000 1.058 405 G HN 0.605 nan 8.290 nan 0.000 0.469 406 Y N 1.893 122.340 120.300 0.246 0.000 2.683 406 Y HA 0.461 5.011 4.550 -0.000 0.000 0.340 406 Y C 1.258 177.259 175.900 0.169 0.000 1.245 406 Y CA 0.029 58.291 58.100 0.271 0.000 1.485 406 Y CB 0.960 39.679 38.460 0.433 0.000 1.328 406 Y HN 0.853 nan 8.280 nan 0.000 0.603 407 S N 0.582 116.269 115.700 -0.022 0.000 2.541 407 S HA 0.928 5.398 4.470 -0.000 0.000 0.271 407 S C -0.536 173.556 174.600 -0.848 0.000 1.133 407 S CA -0.389 57.501 58.200 -0.516 0.000 0.876 407 S CB 2.061 65.204 63.200 -0.096 0.000 1.105 407 S HN 1.002 nan 8.310 nan 0.000 0.470 408 G N 0.567 108.287 108.800 -1.800 0.000 2.695 408 G HA2 0.687 4.647 3.960 -0.000 0.000 0.290 408 G HA3 0.687 4.647 3.960 -0.000 0.000 0.290 408 G C -0.869 173.470 174.900 -0.936 0.000 1.410 408 G CA -0.441 44.060 45.100 -0.998 0.000 0.844 408 G HN 1.405 nan 8.290 nan 0.000 0.478 409 S N -0.942 114.560 115.700 -0.329 0.000 2.608 409 S HA 0.881 5.351 4.470 -0.000 0.000 0.291 409 S C -0.614 174.260 174.600 0.456 0.000 1.146 409 S CA -0.647 57.465 58.200 -0.148 0.000 1.043 409 S CB 1.342 64.406 63.200 -0.228 0.000 1.037 409 S HN 1.556 nan 8.310 nan 0.000 0.520 410 F N -0.445 119.702 119.950 0.328 0.000 2.643 410 F HA 0.899 5.426 4.527 -0.000 0.000 0.314 410 F C -0.996 174.974 175.800 0.283 0.000 1.096 410 F CA -1.201 57.021 58.000 0.370 0.000 0.953 410 F CB 0.600 39.865 39.000 0.442 0.000 1.345 410 F HN 0.527 nan 8.300 nan 0.000 0.468 411 V N 1.009 121.111 119.914 0.312 0.000 4.114 411 V HA 0.596 4.716 4.120 -0.000 0.000 0.293 411 V C 0.284 176.444 176.094 0.111 0.000 1.371 411 V CA -0.013 62.361 62.300 0.122 0.000 0.929 411 V CB 1.558 33.516 31.823 0.224 0.000 1.281 411 V HN 1.422 nan 8.190 nan 0.000 0.468 412 L N -1.088 120.162 121.223 0.045 0.000 2.614 412 L HA -0.197 4.143 4.340 -0.000 0.000 0.457 412 L C 0.984 177.864 176.870 0.018 0.000 0.720 412 L CA 2.516 57.374 54.840 0.030 0.000 2.903 412 L CB -1.701 40.379 42.059 0.034 0.000 0.873 412 L HN 0.690 nan 8.230 nan 0.000 0.686 413 T N -0.871 113.691 114.554 0.012 0.000 3.034 413 T HA 0.515 4.865 4.350 -0.000 0.000 0.248 413 T C 1.469 176.168 174.700 -0.001 0.000 1.040 413 T CA 1.096 63.197 62.100 0.001 0.000 1.107 413 T CB 0.545 69.404 68.868 -0.016 0.000 0.932 413 T HN 1.353 nan 8.240 nan 0.000 0.474 414 G N 0.972 109.773 108.800 0.002 0.000 2.195 414 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.246 414 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.246 414 G C -0.014 174.882 174.900 -0.008 0.000 0.984 414 G CA -0.190 44.910 45.100 0.000 0.000 0.633 414 G HN 0.378 nan 8.290 nan 0.000 0.525 415 L N 2.046 123.261 121.223 -0.014 0.000 2.464 415 L HA 0.405 4.745 4.340 -0.000 0.000 0.264 415 L C 1.306 178.165 176.870 -0.019 0.000 1.199 415 L CA 0.504 55.329 54.840 -0.024 0.000 0.818 415 L CB 0.729 42.765 42.059 -0.039 0.000 1.102 415 L HN 0.371 nan 8.230 nan 0.000 0.473 416 D N 0.110 120.497 120.400 -0.022 0.000 2.491 416 D HA 0.121 4.761 4.640 -0.000 0.000 0.228 416 D C -0.311 175.976 176.300 -0.021 0.000 1.183 416 D CA -0.189 53.801 54.000 -0.017 0.000 0.827 416 D CB -0.104 40.686 40.800 -0.016 0.000 0.989 416 D HN 0.435 nan 8.370 nan 0.000 0.494 417 c N -1.805 116.778 118.600 -0.029 0.000 3.320 417 c HA 0.657 5.227 4.570 -0.000 0.000 0.335 417 c C -0.540 173.524 174.090 -0.043 0.000 1.430 417 c CA -1.297 55.011 56.329 -0.035 0.000 1.271 417 c CB 0.549 43.033 42.510 -0.043 0.000 1.609 417 c HN 0.128 nan 8.230 nan 0.000 0.457 418 I N 2.126 122.666 120.570 -0.050 0.000 2.325 418 I HA 0.340 4.510 4.170 -0.000 0.000 0.291 418 I C 0.575 176.621 176.117 -0.118 0.000 1.019 418 I CA -0.148 61.118 61.300 -0.056 0.000 1.302 418 I CB 0.596 38.584 38.000 -0.020 0.000 1.401 418 I HN 0.522 nan 8.210 nan 0.000 0.485 419 R N 8.107 128.524 120.500 -0.137 0.000 2.351 419 R HA 0.246 4.586 4.340 -0.000 0.000 0.318 419 R C -2.371 173.741 176.300 -0.314 0.000 1.055 419 R CA -1.359 54.609 56.100 -0.219 0.000 0.968 419 R CB 0.724 30.900 30.300 -0.206 0.000 0.974 419 R HN 0.320 nan 8.270 nan 0.000 0.439 420 P HA 0.237 nan 4.420 nan 0.000 0.292 420 P C -0.609 176.454 177.300 -0.394 0.000 1.287 420 P CA -0.385 62.292 63.100 -0.704 0.000 0.800 420 P CB 1.202 32.175 31.700 -1.211 0.000 0.945 421 c N 3.327 121.700 118.600 -0.378 0.000 3.213 421 c HA 0.851 5.421 4.570 -0.000 0.000 0.319 421 c C -0.468 173.530 174.090 -0.153 0.000 1.386 421 c CA -0.355 55.730 56.329 -0.407 0.000 1.494 421 c CB 1.410 43.076 42.510 -1.407 0.000 1.905 421 c HN 0.739 nan 8.230 nan 0.000 0.456 422 F N -0.468 119.405 119.950 -0.128 0.000 2.713 422 F HA 0.845 5.372 4.527 -0.000 0.000 0.311 422 F C -1.586 174.433 175.800 0.365 0.000 1.141 422 F CA -1.136 56.801 58.000 -0.105 0.000 0.939 422 F CB 0.870 39.350 39.000 -0.866 0.000 1.325 422 F HN 0.832 nan 8.300 nan 0.000 0.453 423 W N 1.479 122.985 121.300 0.343 0.000 2.864 423 W HA 0.865 5.524 4.660 -0.000 0.000 0.343 423 W C -2.290 174.380 176.519 0.252 0.000 1.109 423 W CA -1.574 55.902 57.345 0.218 0.000 1.192 423 W CB 0.967 30.525 29.460 0.162 0.000 1.426 423 W HN 0.550 nan 8.180 nan 0.000 0.529 424 V N 1.371 121.562 119.914 0.461 0.000 2.735 424 V HA 0.275 4.395 4.120 -0.000 0.000 0.310 424 V C -0.402 175.957 176.094 0.442 0.000 1.061 424 V CA -0.851 61.594 62.300 0.241 0.000 0.913 424 V CB 1.881 33.665 31.823 -0.065 0.000 1.005 424 V HN 0.626 nan 8.190 nan 0.000 0.428 425 E N 3.989 124.464 120.200 0.458 0.000 2.134 425 E HA 0.488 4.838 4.350 -0.000 0.000 0.278 425 E C -1.377 175.389 176.600 0.277 0.000 0.959 425 E CA -0.594 56.043 56.400 0.396 0.000 0.783 425 E CB 1.197 31.183 29.700 0.476 0.000 1.095 425 E HN 0.638 nan 8.360 nan 0.000 0.399 426 L N 6.913 128.273 121.223 0.229 0.000 2.287 426 L HA 0.390 4.730 4.340 -0.000 0.000 0.280 426 L C -0.010 176.975 176.870 0.192 0.000 1.055 426 L CA -0.563 54.415 54.840 0.229 0.000 0.863 426 L CB 0.386 42.578 42.059 0.222 0.000 1.245 426 L HN 0.528 nan 8.230 nan 0.000 0.432 427 I N 4.015 124.692 120.570 0.179 0.000 2.471 427 I HA 0.220 4.390 4.170 -0.000 0.000 0.286 427 I C 0.261 176.374 176.117 -0.006 0.000 1.079 427 I CA -0.107 61.240 61.300 0.079 0.000 1.398 427 I CB 0.391 38.411 38.000 0.033 0.000 1.403 427 I HN 0.507 nan 8.210 nan 0.000 0.530 428 R N 4.186 124.654 120.500 -0.054 0.000 2.750 428 R HA 0.783 5.123 4.340 -0.000 0.000 0.281 428 R C 0.137 176.172 176.300 -0.442 0.000 0.972 428 R CA -0.464 55.516 56.100 -0.199 0.000 0.912 428 R CB 1.611 31.896 30.300 -0.025 0.000 1.187 428 R HN 0.901 nan 8.270 nan 0.000 0.464 429 G N 1.621 110.019 108.800 -0.672 0.000 2.482 429 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.214 429 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.214 429 G C -0.850 173.706 174.900 -0.573 0.000 1.271 429 G CA -0.740 43.844 45.100 -0.860 0.000 0.944 429 G HN 0.501 nan 8.290 nan 0.000 0.568 430 R N 1.564 121.786 120.500 -0.463 0.000 2.734 430 R HA 0.332 4.672 4.340 -0.000 0.000 0.266 430 R C -1.102 175.042 176.300 -0.261 0.000 1.044 430 R CA -0.381 55.533 56.100 -0.310 0.000 1.128 430 R CB 0.655 30.825 30.300 -0.216 0.000 1.010 430 R HN 0.448 nan 8.270 nan 0.000 0.461 431 P HA 0.017 nan 4.420 nan 0.000 0.255 431 P C -0.056 177.103 177.300 -0.235 0.000 1.248 431 P CA 0.600 63.585 63.100 -0.191 0.000 0.807 431 P CB 0.538 32.165 31.700 -0.122 0.000 1.150 432 K N 0.302 120.476 120.400 -0.377 0.000 2.365 432 K HA 0.130 4.450 4.320 -0.000 0.000 0.197 432 K C 0.854 177.241 176.600 -0.356 0.000 1.042 432 K CA 0.608 56.622 56.287 -0.455 0.000 0.987 432 K CB 0.527 32.390 32.500 -1.061 0.000 0.779 432 K HN 0.424 nan 8.250 nan 0.000 0.484 436 T N -0.764 113.607 114.554 -0.306 0.000 2.883 436 T HA 0.766 5.116 4.350 -0.000 0.000 0.284 436 T C 1.053 175.572 174.700 -0.301 0.000 1.041 436 T CA -0.601 61.260 62.100 -0.399 0.000 1.007 436 T CB 1.086 69.354 68.868 -1.000 0.000 1.220 436 T HN 0.889 nan 8.240 nan 0.000 0.552 437 I N -2.363 118.103 120.570 -0.174 0.000 3.956 437 I HA 0.467 4.637 4.170 -0.000 0.000 0.333 437 I C 0.016 176.176 176.117 0.071 0.000 1.302 437 I CA -0.910 60.386 61.300 -0.006 0.000 1.122 437 I CB 0.015 38.082 38.000 0.111 0.000 1.013 437 I HN 0.611 nan 8.210 nan 0.000 0.405 438 W N 0.596 121.851 121.300 -0.075 0.000 3.017 438 W HA 0.732 5.392 4.660 -0.000 0.000 0.341 438 W C -1.422 175.033 176.519 -0.107 0.000 1.180 438 W CA -1.109 56.190 57.345 -0.077 0.000 1.097 438 W CB 0.631 30.045 29.460 -0.076 0.000 1.468 438 W HN -0.302 nan 8.180 nan 0.000 0.584 439 T N 1.650 116.361 114.554 0.261 0.000 2.991 439 T HA 0.460 4.810 4.350 -0.000 0.000 0.303 439 T C -1.221 173.638 174.700 0.266 0.000 1.015 439 T CA -0.305 61.858 62.100 0.105 0.000 1.007 439 T CB 1.835 70.695 68.868 -0.013 0.000 1.034 439 T HN 0.541 nan 8.240 nan 0.000 0.446 440 S N 1.144 117.015 115.700 0.286 0.000 2.570 440 S HA 0.850 5.320 4.470 -0.000 0.000 0.270 440 S C -0.844 173.838 174.600 0.137 0.000 1.149 440 S CA -0.559 57.762 58.200 0.201 0.000 0.837 440 S CB 1.684 64.996 63.200 0.187 0.000 1.124 440 S HN 1.058 nan 8.310 nan 0.000 0.465 441 G N 1.202 110.047 108.800 0.075 0.000 2.524 441 G HA2 0.617 4.577 3.960 -0.000 0.000 0.310 441 G HA3 0.617 4.577 3.960 -0.000 0.000 0.310 441 G C -0.925 174.005 174.900 0.051 0.000 1.279 441 G CA -0.363 44.785 45.100 0.080 0.000 0.974 441 G HN 0.660 nan 8.290 nan 0.000 0.484 442 S N -0.643 115.107 115.700 0.084 0.000 2.713 442 S HA 0.822 5.291 4.470 -0.000 0.000 0.283 442 S C 0.306 174.956 174.600 0.085 0.000 1.161 442 S CA -0.484 57.751 58.200 0.059 0.000 0.999 442 S CB 1.497 64.750 63.200 0.089 0.000 1.039 442 S HN 1.186 nan 8.310 nan 0.000 0.548 443 S N 0.499 116.233 115.700 0.057 0.000 2.570 443 S HA 0.832 5.302 4.470 -0.000 0.000 0.286 443 S C -0.818 173.828 174.600 0.077 0.000 1.099 443 S CA -0.916 57.343 58.200 0.098 0.000 0.913 443 S CB 0.994 64.216 63.200 0.036 0.000 1.085 443 S HN 0.785 nan 8.310 nan 0.000 0.480 444 I N -0.815 119.826 120.570 0.118 0.000 2.722 444 I HA 0.849 5.019 4.170 -0.000 0.000 0.295 444 I C -0.835 175.276 176.117 -0.009 0.000 1.161 444 I CA -0.803 60.497 61.300 0.000 0.000 1.032 444 I CB 2.250 40.295 38.000 0.076 0.000 1.244 444 I HN 0.847 nan 8.210 nan 0.000 0.421 445 S N 3.430 118.980 115.700 -0.251 0.000 2.627 445 S HA 0.869 5.339 4.470 -0.000 0.000 0.283 445 S C -1.158 173.078 174.600 -0.606 0.000 1.127 445 S CA -0.586 57.532 58.200 -0.137 0.000 0.863 445 S CB 1.970 65.321 63.200 0.252 0.000 1.121 445 S HN 0.598 nan 8.310 nan 0.000 0.479 446 F N -0.952 118.786 119.950 -0.354 0.000 2.643 446 F HA 0.783 5.310 4.527 -0.000 0.000 0.314 446 F C -0.176 175.527 175.800 -0.161 0.000 1.096 446 F CA -0.936 56.906 58.000 -0.263 0.000 0.953 446 F CB 1.675 40.457 39.000 -0.363 0.000 1.345 446 F HN 0.811 nan 8.300 nan 0.000 0.468 447 c N 0.348 119.048 118.600 0.168 0.000 2.898 447 c HA 0.633 5.203 4.570 -0.000 0.000 0.304 447 c C 1.475 175.545 174.090 -0.033 0.000 1.237 447 c CA -0.275 56.054 56.329 -0.001 0.000 1.529 447 c CB 1.298 43.651 42.510 -0.262 0.000 2.021 447 c HN 1.086 nan 8.230 nan 0.000 0.474 448 G N 1.067 109.674 108.800 -0.322 0.000 2.940 448 G HA2 0.048 4.008 3.960 -0.000 0.000 0.215 448 G HA3 0.048 4.008 3.960 -0.000 0.000 0.215 448 G C 0.323 174.843 174.900 -0.633 0.000 1.322 448 G CA 1.862 46.480 45.100 -0.804 0.000 0.781 448 G HN 1.547 nan 8.290 nan 0.000 0.728 449 V N -0.794 118.876 119.914 -0.407 0.000 3.424 449 V HA -0.182 3.938 4.120 -0.000 0.000 0.491 449 V C 0.785 176.701 176.094 -0.297 0.000 0.682 449 V CA 0.575 62.703 62.300 -0.286 0.000 2.038 449 V CB -0.986 30.713 31.823 -0.206 0.000 2.479 449 V HN 0.744 nan 8.190 nan 0.000 0.504 450 N N 1.179 119.757 118.700 -0.204 0.000 2.251 450 N HA 0.012 4.752 4.740 -0.000 0.000 0.181 450 N C 1.053 176.483 175.510 -0.134 0.000 1.019 450 N CA 1.143 54.089 53.050 -0.174 0.000 0.862 450 N CB -0.018 38.393 38.487 -0.126 0.000 0.992 450 N HN 0.997 nan 8.380 nan 0.000 0.429 451 S N -0.084 115.554 115.700 -0.103 0.000 2.641 451 S HA 0.076 4.546 4.470 -0.000 0.000 0.251 451 S C 0.077 174.640 174.600 -0.062 0.000 1.332 451 S CA -0.487 57.673 58.200 -0.066 0.000 0.968 451 S CB 0.403 63.576 63.200 -0.044 0.000 0.987 451 S HN 0.183 nan 8.310 nan 0.000 0.587 452 D N -1.232 119.153 120.400 -0.025 0.000 2.385 452 D HA 0.678 5.318 4.640 -0.000 0.000 0.254 452 D C 0.038 176.359 176.300 0.035 0.000 1.053 452 D CA -0.249 53.750 54.000 -0.001 0.000 0.992 452 D CB 1.562 42.373 40.800 0.017 0.000 1.145 452 D HN 0.609 nan 8.370 nan 0.000 0.523 453 T N -0.649 113.952 114.554 0.078 0.000 2.551 453 T HA 0.695 5.045 4.350 -0.000 0.000 0.249 453 T C -0.931 173.871 174.700 0.170 0.000 0.851 453 T CA -0.616 61.569 62.100 0.141 0.000 1.149 453 T CB 0.826 69.812 68.868 0.198 0.000 1.456 453 T HN 0.251 nan 8.240 nan 0.000 0.514 454 V N -0.356 119.712 119.914 0.258 0.000 3.048 454 V HA 0.727 4.847 4.120 -0.000 0.000 0.303 454 V C 0.195 176.518 176.094 0.383 0.000 1.214 454 V CA -1.227 61.220 62.300 0.245 0.000 0.984 454 V CB 1.579 33.489 31.823 0.146 0.000 1.054 454 V HN 1.137 nan 8.190 nan 0.000 0.430 455 G N 0.353 109.347 108.800 0.323 0.000 2.537 455 G HA2 0.595 4.555 3.960 -0.000 0.000 0.273 455 G HA3 0.595 4.555 3.960 -0.000 0.000 0.273 455 G C -1.293 173.847 174.900 0.400 0.000 1.189 455 G CA 0.072 45.405 45.100 0.388 0.000 0.881 455 G HN 0.912 nan 8.290 nan 0.000 0.535 456 W N -0.962 120.385 121.300 0.077 0.000 2.616 456 W HA 0.516 5.176 4.660 -0.000 0.000 0.450 456 W C -1.170 175.224 176.519 -0.209 0.000 0.925 456 W CA -0.654 56.550 57.345 -0.233 0.000 1.322 456 W CB 0.705 29.745 29.460 -0.700 0.000 1.401 456 W HN 0.785 nan 8.180 nan 0.000 0.639 457 S N 1.589 116.845 115.700 -0.740 0.000 2.733 457 S HA 0.529 4.999 4.470 -0.000 0.000 0.294 457 S C -1.457 172.745 174.600 -0.664 0.000 1.149 457 S CA -0.416 57.500 58.200 -0.473 0.000 1.034 457 S CB 0.334 63.284 63.200 -0.417 0.000 1.015 457 S HN 0.340 nan 8.310 nan 0.000 0.486 458 W N 6.741 128.052 121.300 0.018 0.000 1.864 458 W HA 0.281 4.941 4.660 -0.000 0.000 0.296 458 W C -2.462 174.093 176.519 0.061 0.000 0.794 458 W CA -1.860 55.508 57.345 0.039 0.000 2.180 458 W CB 0.505 30.099 29.460 0.223 0.000 2.332 458 W HN 0.541 nan 8.180 nan 0.000 0.417 459 P HA -0.082 nan 4.420 nan 0.000 0.272 459 P C 0.762 178.151 177.300 0.149 0.000 1.254 459 P CA 0.471 63.645 63.100 0.123 0.000 0.795 459 P CB 1.529 33.246 31.700 0.029 0.000 1.022 460 D N 0.318 120.816 120.400 0.163 0.000 2.087 460 D HA -0.116 4.524 4.640 -0.000 0.000 0.192 460 D C 1.390 177.773 176.300 0.139 0.000 0.993 460 D CA 2.520 56.618 54.000 0.164 0.000 0.828 460 D CB -0.738 40.176 40.800 0.190 0.000 0.968 460 D HN 0.688 nan 8.370 nan 0.000 0.448 461 G N -0.856 108.022 108.800 0.130 0.000 2.157 461 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.239 461 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.239 461 G C 0.276 175.262 174.900 0.143 0.000 0.982 461 G CA 0.404 45.571 45.100 0.111 0.000 0.650 461 G HN 0.773 nan 8.290 nan 0.000 0.527 462 A N -0.072 122.865 122.820 0.195 0.000 2.316 462 A HA 0.702 5.022 4.320 -0.000 0.000 0.284 462 A C 0.241 177.991 177.584 0.277 0.000 1.115 462 A CA -0.191 52.012 52.037 0.276 0.000 0.812 462 A CB 0.530 19.756 19.000 0.377 0.000 1.064 462 A HN 0.396 nan 8.150 nan 0.000 0.489 463 E N 1.472 121.859 120.200 0.312 0.000 2.081 463 E HA 0.426 4.776 4.350 -0.000 0.000 0.281 463 E C -0.982 175.845 176.600 0.378 0.000 0.986 463 E CA -0.029 56.526 56.400 0.258 0.000 0.796 463 E CB 0.929 30.731 29.700 0.170 0.000 1.085 463 E HN 0.526 nan 8.360 nan 0.000 0.398 464 L N 4.448 125.830 121.223 0.266 0.000 2.334 464 L HA 0.544 4.884 4.340 -0.000 0.000 0.272 464 L C -1.612 175.357 176.870 0.164 0.000 1.020 464 L CA -1.945 53.035 54.840 0.234 0.000 0.812 464 L CB 0.930 43.009 42.059 0.033 0.000 1.264 464 L HN 0.443 nan 8.230 nan 0.000 0.439 465 P HA 0.340 nan 4.420 nan 0.000 0.278 465 P C -0.980 176.598 177.300 0.464 0.000 1.266 465 P CA -0.416 62.813 63.100 0.213 0.000 0.807 465 P CB 0.891 32.661 31.700 0.117 0.000 1.094 466 F N -0.605 119.494 119.950 0.248 0.000 2.364 466 F HA 0.168 4.695 4.527 -0.000 0.000 0.316 466 F C 2.183 178.068 175.800 0.142 0.000 1.133 466 F CA -0.934 57.195 58.000 0.214 0.000 1.051 466 F CB -0.795 38.371 39.000 0.277 0.000 1.342 466 F HN 0.228 nan 8.300 nan 0.000 0.507 467 T N 1.509 116.203 114.554 0.233 0.000 2.969 467 T HA -0.010 4.340 4.350 -0.000 0.000 0.271 467 T C 0.688 175.485 174.700 0.162 0.000 1.127 467 T CA 0.934 63.110 62.100 0.126 0.000 1.102 467 T CB -0.791 68.103 68.868 0.044 0.000 0.855 467 T HN 0.350 nan 8.240 nan 0.000 0.536 468 I N 0.000 120.731 120.570 0.268 0.000 2.984 468 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 468 I CA 0.000 61.455 61.300 0.257 0.000 1.566 468 I CB 0.000 38.102 38.000 0.170 0.000 1.214 468 I HN 0.000 nan 8.210 nan 0.000 0.494