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 3bra_1_A DATA FIRST_RESID -4 DATA SEQUENCE RGSFVEMVDN LRGKSGQGYY VEMTVGSPPQ TLNILVDTGS SNFAVGAAPH DATA SEQUENCE PFLHRYYQRQ LSSTYRDLRK GVYVPYTQGK WEGELGTDLV SIPHGPNVTV DATA SEQUENCE RANIAAITES DKFFINGSNW EGILGLAYAE IARPDDSLEP FFDSLVKQTH DATA SEQUENCE VPNLFSLQLc GXXXXXXXXX XXXSVGGSMI IGGIDHSLYT GSLWYTPIRR DATA SEQUENCE EWYYEVIIVR VEINGQDLKM DcKEYNYDKS IVDSGTTNLR LPKKVFEAAV DATA SEQUENCE ASIKAASSTE XFPDGFWLGE QLVcWQAGTT PWNIFPVISL YLMGEVTNQS DATA SEQUENCE FRITILPQQY LRPVXXXXXX XXDcYKFAIS QSSTGTVMGA VIMEGFYVVF DATA SEQUENCE DRARKRIGFA VSAcHVHDEF RTAAVEGPFV TLDMEDcGYN I 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 -4 R HA 0.000 nan 4.340 nan 0.000 0.208 -4 R C 0.000 176.399 176.300 0.165 0.000 0.893 -4 R CA 0.000 56.142 56.100 0.069 0.000 0.921 -4 R CB 0.000 30.367 30.300 0.112 0.000 0.687 -3 G N -0.138 108.696 108.800 0.057 0.000 3.575 -3 G HA2 0.230 4.190 3.960 -0.000 0.000 0.273 -3 G HA3 0.230 4.190 3.960 -0.000 0.000 0.273 -3 G C -0.497 174.390 174.900 -0.022 0.000 1.053 -3 G CA 0.219 45.340 45.100 0.035 0.000 0.803 -3 G HN 0.045 nan 8.290 nan 0.000 0.528 -2 S N -0.302 115.292 115.700 -0.177 0.000 2.668 -2 S HA 0.642 5.112 4.470 -0.000 0.000 0.277 -2 S C -1.701 172.630 174.600 -0.449 0.000 1.170 -2 S CA -0.544 57.558 58.200 -0.164 0.000 0.994 -2 S CB 0.572 63.693 63.200 -0.131 0.000 1.051 -2 S HN 0.113 nan 8.310 nan 0.000 0.484 -1 F N 4.149 124.106 119.950 0.011 0.000 2.627 -1 F HA 0.188 4.715 4.527 -0.000 0.000 0.344 -1 F C 1.286 177.103 175.800 0.029 0.000 1.505 -1 F CA -0.683 57.335 58.000 0.029 0.000 1.111 -1 F CB 0.628 39.656 39.000 0.047 0.000 1.585 -1 F HN 0.475 nan 8.300 nan 0.000 0.582 0 V N -2.164 117.816 119.914 0.110 0.000 2.546 0 V HA -0.257 3.862 4.120 -0.000 0.000 0.254 0 V C 1.706 177.858 176.094 0.096 0.000 1.076 0 V CA 2.170 64.517 62.300 0.079 0.000 1.087 0 V CB -0.429 31.414 31.823 0.034 0.000 0.674 0 V HN 0.428 nan 8.190 nan 0.000 0.470 1 E N 0.635 120.910 120.200 0.126 0.000 2.204 1 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 1 E C 2.022 178.718 176.600 0.160 0.000 0.989 1 E CA 1.651 58.137 56.400 0.144 0.000 0.824 1 E CB -0.435 29.354 29.700 0.148 0.000 0.756 1 E HN 0.637 nan 8.360 nan 0.000 0.477 2 M N 0.020 119.716 119.600 0.161 0.000 2.414 2 M HA 0.111 4.591 4.480 -0.000 0.000 0.251 2 M C -0.005 176.344 176.300 0.081 0.000 1.116 2 M CA -0.060 55.318 55.300 0.130 0.000 1.056 2 M CB 0.883 33.559 32.600 0.128 0.000 1.388 2 M HN -0.157 nan 8.290 nan 0.000 0.487 3 V N 2.522 122.483 119.914 0.077 0.000 2.599 3 V HA -0.087 4.033 4.120 -0.000 0.000 0.300 3 V C 0.551 176.644 176.094 -0.001 0.000 1.034 3 V CA 0.818 63.144 62.300 0.043 0.000 1.115 3 V CB 0.437 32.282 31.823 0.037 0.000 0.934 3 V HN 0.565 nan 8.190 nan 0.000 0.485 4 D N 3.114 123.509 120.400 -0.008 0.000 2.981 4 D HA -0.183 4.457 4.640 -0.000 0.000 0.223 4 D C 1.003 177.255 176.300 -0.081 0.000 1.151 4 D CA 1.101 55.078 54.000 -0.038 0.000 0.827 4 D CB -0.850 39.923 40.800 -0.046 0.000 1.101 4 D HN 0.883 nan 8.370 nan 0.000 0.426 5 N N 0.034 118.698 118.700 -0.060 0.000 2.461 5 N HA 0.002 4.742 4.740 -0.000 0.000 0.188 5 N C 0.396 175.871 175.510 -0.059 0.000 1.134 5 N CA 0.273 53.278 53.050 -0.076 0.000 0.878 5 N CB -0.028 38.467 38.487 0.012 0.000 0.972 5 N HN 0.409 nan 8.380 nan 0.000 0.456 6 L N 0.278 121.465 121.223 -0.060 0.000 2.325 6 L HA 0.556 4.895 4.340 -0.000 0.000 0.278 6 L C 0.287 177.067 176.870 -0.150 0.000 1.023 6 L CA -0.874 53.919 54.840 -0.078 0.000 0.811 6 L CB 1.510 43.574 42.059 0.008 0.000 1.249 6 L HN -0.052 nan 8.230 nan 0.000 0.431 7 R N 0.904 121.155 120.500 -0.416 0.000 2.888 7 R HA 0.881 5.221 4.340 -0.000 0.000 0.264 7 R C -0.488 175.342 176.300 -0.783 0.000 1.045 7 R CA -0.834 54.928 56.100 -0.563 0.000 0.962 7 R CB 2.157 32.080 30.300 -0.629 0.000 1.210 7 R HN 0.839 nan 8.270 nan 0.000 0.479 8 G N 0.287 108.815 108.800 -0.453 0.000 2.430 8 G HA2 0.426 4.386 3.960 -0.000 0.000 0.300 8 G HA3 0.426 4.386 3.960 -0.000 0.000 0.300 8 G C -1.690 173.151 174.900 -0.098 0.000 1.330 8 G CA -0.673 44.270 45.100 -0.262 0.000 0.813 8 G HN 0.226 nan 8.290 nan 0.000 0.487 9 K N 0.116 120.483 120.400 -0.056 0.000 2.422 9 K HA 0.604 4.923 4.320 -0.000 0.000 0.251 9 K C -0.139 176.410 176.600 -0.086 0.000 0.933 9 K CA -0.653 55.607 56.287 -0.046 0.000 0.798 9 K CB 2.233 34.741 32.500 0.013 0.000 1.238 9 K HN 0.534 nan 8.250 nan 0.000 0.428 10 S N 0.941 116.597 115.700 -0.073 0.000 2.673 10 S HA 0.116 4.586 4.470 -0.000 0.000 0.308 10 S C 1.241 175.827 174.600 -0.023 0.000 1.246 10 S CA 1.755 59.925 58.200 -0.051 0.000 1.077 10 S CB -0.527 62.659 63.200 -0.023 0.000 0.814 10 S HN 0.879 nan 8.310 nan 0.000 0.503 11 G N 4.229 113.023 108.800 -0.010 0.000 2.253 11 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.251 11 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.251 11 G C 0.456 175.378 174.900 0.037 0.000 0.998 11 G CA 0.544 45.655 45.100 0.019 0.000 0.621 11 G HN 0.707 nan 8.290 nan 0.000 0.524 12 Q N 0.554 120.379 119.800 0.041 0.000 2.189 12 Q HA 0.472 4.812 4.340 -0.000 0.000 0.221 12 Q C 1.203 177.315 176.000 0.188 0.000 0.848 12 Q CA 0.286 56.175 55.803 0.144 0.000 1.007 12 Q CB 0.798 29.634 28.738 0.163 0.000 1.116 12 Q HN 1.607 nan 8.270 nan 0.000 0.481 13 G N 0.699 109.522 108.800 0.037 0.000 2.860 13 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.553 13 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.553 13 G C -1.110 173.730 174.900 -0.100 0.000 1.439 13 G CA -0.781 44.323 45.100 0.008 0.000 0.879 13 G HN 0.253 nan 8.290 nan 0.000 0.545 14 Y N 0.013 120.292 120.300 -0.036 0.000 2.360 14 Y HA 0.651 5.201 4.550 -0.000 0.000 0.337 14 Y C 0.623 176.482 175.900 -0.068 0.000 1.039 14 Y CA -0.231 57.825 58.100 -0.073 0.000 1.109 14 Y CB 1.817 40.223 38.460 -0.090 0.000 1.201 14 Y HN 0.793 nan 8.280 nan 0.000 0.458 15 Y N 0.211 120.541 120.300 0.049 0.000 2.536 15 Y HA 0.838 5.388 4.550 -0.000 0.000 0.347 15 Y C -1.622 174.293 175.900 0.025 0.000 1.000 15 Y CA -1.698 56.398 58.100 -0.008 0.000 1.051 15 Y CB 0.999 39.480 38.460 0.034 0.000 1.259 15 Y HN 0.433 nan 8.280 nan 0.000 0.468 16 V N 2.065 122.087 119.914 0.179 0.000 2.864 16 V HA 0.384 4.503 4.120 -0.000 0.000 0.314 16 V C -0.727 175.466 176.094 0.165 0.000 1.073 16 V CA -0.908 61.454 62.300 0.103 0.000 0.956 16 V CB 1.822 33.645 31.823 0.001 0.000 1.023 16 V HN 0.984 nan 8.190 nan 0.000 0.435 17 E N 5.018 125.312 120.200 0.156 0.000 2.316 17 E HA 0.460 4.810 4.350 -0.000 0.000 0.275 17 E C -0.844 175.789 176.600 0.054 0.000 1.029 17 E CA -0.208 56.273 56.400 0.134 0.000 0.871 17 E CB 0.853 30.653 29.700 0.166 0.000 1.022 17 E HN 0.650 nan 8.360 nan 0.000 0.418 18 M N 2.089 121.705 119.600 0.027 0.000 2.658 18 M HA 0.336 4.815 4.480 -0.000 0.000 0.295 18 M C -0.676 175.623 176.300 -0.002 0.000 1.248 18 M CA -0.946 54.341 55.300 -0.021 0.000 0.843 18 M CB 2.501 35.060 32.600 -0.069 0.000 1.749 18 M HN 0.543 nan 8.290 nan 0.000 0.464 19 T N -0.360 114.188 114.554 -0.011 0.000 2.863 19 T HA 0.788 5.138 4.350 -0.000 0.000 0.285 19 T C -0.691 174.010 174.700 0.003 0.000 1.009 19 T CA -0.812 61.286 62.100 -0.003 0.000 0.989 19 T CB 1.465 70.332 68.868 -0.001 0.000 1.004 19 T HN 0.653 nan 8.240 nan 0.000 0.455 20 V N -0.574 119.324 119.914 -0.026 0.000 2.656 20 V HA 0.981 5.101 4.120 -0.000 0.000 0.307 20 V C 0.516 176.619 176.094 0.016 0.000 1.051 20 V CA 0.180 62.442 62.300 -0.064 0.000 0.893 20 V CB 0.507 32.112 31.823 -0.364 0.000 0.999 20 V HN 1.973 nan 8.190 nan 0.000 0.426 21 G N 3.498 112.353 108.800 0.091 0.000 2.796 21 G HA2 0.086 4.046 3.960 -0.000 0.000 0.571 21 G HA3 0.086 4.046 3.960 -0.000 0.000 0.571 21 G C -0.383 174.584 174.900 0.112 0.000 1.370 21 G CA -0.306 44.893 45.100 0.165 0.000 0.856 21 G HN 1.866 nan 8.290 nan 0.000 0.538 22 S N 2.290 118.057 115.700 0.111 0.000 2.707 22 S HA 0.724 5.194 4.470 -0.000 0.000 0.303 22 S C -2.183 172.456 174.600 0.065 0.000 1.132 22 S CA -0.661 57.583 58.200 0.075 0.000 1.046 22 S CB 2.723 65.963 63.200 0.067 0.000 1.004 22 S HN 0.821 nan 8.310 nan 0.000 0.483 23 P HA 0.340 nan 4.420 nan 0.000 0.274 23 P C -2.945 174.380 177.300 0.043 0.000 1.246 23 P CA -1.776 61.347 63.100 0.038 0.000 0.795 23 P CB -0.813 30.901 31.700 0.024 0.000 1.006 24 P HA 0.139 nan 4.420 nan 0.000 0.267 24 P C -0.572 176.742 177.300 0.023 0.000 1.209 24 P CA 0.502 63.619 63.100 0.029 0.000 0.763 24 P CB 0.123 31.832 31.700 0.015 0.000 0.816 25 Q N 1.563 121.380 119.800 0.029 0.000 2.340 25 Q HA 0.300 4.639 4.340 -0.000 0.000 0.259 25 Q C -0.240 175.761 176.000 0.001 0.000 0.964 25 Q CA -0.427 55.387 55.803 0.017 0.000 0.900 25 Q CB 0.920 29.689 28.738 0.051 0.000 1.228 25 Q HN 0.354 nan 8.270 nan 0.000 0.449 26 T N 3.962 118.513 114.554 -0.004 0.000 2.851 26 T HA 0.449 4.799 4.350 -0.000 0.000 0.298 26 T C -0.210 174.491 174.700 0.002 0.000 0.977 26 T CA -0.093 62.008 62.100 0.001 0.000 1.126 26 T CB 0.200 69.070 68.868 0.003 0.000 0.916 26 T HN 0.333 nan 8.240 nan 0.000 0.529 27 L N 3.320 124.553 121.223 0.016 0.000 2.434 27 L HA 0.495 4.835 4.340 -0.000 0.000 0.260 27 L C -0.391 176.511 176.870 0.054 0.000 0.983 27 L CA -1.254 53.602 54.840 0.026 0.000 0.820 27 L CB 2.013 44.087 42.059 0.026 0.000 1.361 27 L HN 0.413 nan 8.230 nan 0.000 0.410 28 N N 2.958 121.684 118.700 0.045 0.000 2.434 28 N HA 0.537 5.276 4.740 -0.000 0.000 0.272 28 N C -1.040 174.546 175.510 0.128 0.000 1.040 28 N CA -0.297 52.800 53.050 0.077 0.000 0.956 28 N CB 1.824 40.225 38.487 -0.143 0.000 1.108 28 N HN 0.325 nan 8.380 nan 0.000 0.481 29 I N 2.573 123.242 120.570 0.164 0.000 2.466 29 I HA 0.223 4.393 4.170 -0.000 0.000 0.289 29 I C 0.025 176.149 176.117 0.011 0.000 1.026 29 I CA -0.912 60.451 61.300 0.105 0.000 1.078 29 I CB 1.566 39.625 38.000 0.098 0.000 1.249 29 I HN 0.268 nan 8.210 nan 0.000 0.429 30 L N 7.509 128.599 121.223 -0.222 0.000 2.513 30 L HA 0.117 4.456 4.340 -0.000 0.000 0.272 30 L C -0.166 176.562 176.870 -0.237 0.000 1.187 30 L CA 0.476 55.051 54.840 -0.441 0.000 0.895 30 L CB 0.612 42.040 42.059 -1.052 0.000 1.147 30 L HN 0.339 nan 8.230 nan 0.000 0.483 31 V N 5.311 125.129 119.914 -0.160 0.000 2.408 31 V HA 0.251 4.371 4.120 -0.000 0.000 0.267 31 V C -0.318 175.696 176.094 -0.134 0.000 1.047 31 V CA -0.286 61.923 62.300 -0.151 0.000 0.937 31 V CB 1.009 32.754 31.823 -0.130 0.000 0.999 31 V HN 0.766 nan 8.190 nan 0.000 0.472 32 D N 3.151 123.473 120.400 -0.130 0.000 2.473 32 D HA 0.242 4.882 4.640 -0.000 0.000 0.253 32 D C 0.998 177.272 176.300 -0.043 0.000 1.233 32 D CA -0.234 53.728 54.000 -0.063 0.000 0.908 32 D CB 1.917 42.701 40.800 -0.026 0.000 1.170 32 D HN 0.579 nan 8.370 nan 0.000 0.558 33 T N -0.103 114.437 114.554 -0.022 0.000 3.148 33 T HA 0.165 4.515 4.350 -0.000 0.000 0.253 33 T C 1.402 176.240 174.700 0.230 0.000 1.134 33 T CA 0.251 62.392 62.100 0.068 0.000 1.051 33 T CB 0.186 68.995 68.868 -0.098 0.000 0.959 33 T HN 0.298 nan 8.240 nan 0.000 0.525 34 G N 0.884 109.788 108.800 0.173 0.000 3.434 34 G HA2 0.475 4.434 3.960 -0.000 0.000 0.258 34 G HA3 0.475 4.434 3.960 -0.000 0.000 0.258 34 G C 0.165 175.167 174.900 0.170 0.000 1.128 34 G CA 0.040 45.284 45.100 0.239 0.000 0.792 34 G HN 0.758 nan 8.290 nan 0.000 0.539 35 S N -2.154 113.598 115.700 0.087 0.000 2.656 35 S HA 0.646 5.116 4.470 -0.000 0.000 0.273 35 S C -0.108 174.511 174.600 0.031 0.000 1.168 35 S CA -0.365 57.870 58.200 0.057 0.000 0.817 35 S CB 1.760 65.053 63.200 0.156 0.000 1.146 35 S HN -0.068 nan 8.310 nan 0.000 0.475 36 S N 0.063 115.795 115.700 0.053 0.000 2.847 36 S HA 0.377 4.847 4.470 -0.000 0.000 0.254 36 S C -0.565 174.115 174.600 0.133 0.000 1.039 36 S CA -0.420 57.816 58.200 0.061 0.000 1.113 36 S CB -0.311 62.904 63.200 0.026 0.000 1.092 36 S HN 0.685 nan 8.310 nan 0.000 0.620 37 N N 1.243 120.055 118.700 0.186 0.000 2.400 37 N HA 0.416 5.155 4.740 -0.000 0.000 0.288 37 N C -1.262 174.402 175.510 0.256 0.000 1.024 37 N CA -0.411 52.786 53.050 0.246 0.000 0.894 37 N CB 0.997 39.698 38.487 0.357 0.000 1.173 37 N HN 0.268 nan 8.380 nan 0.000 0.487 38 F N 2.504 122.492 119.950 0.064 0.000 2.404 38 F HA 0.565 5.092 4.527 -0.000 0.000 0.359 38 F C -0.276 175.490 175.800 -0.056 0.000 1.134 38 F CA -0.679 57.312 58.000 -0.015 0.000 1.160 38 F CB 0.213 39.213 39.000 0.001 0.000 1.186 38 F HN 0.424 nan 8.300 nan 0.000 0.526 39 A N 6.160 128.805 122.820 -0.291 0.000 2.393 39 A HA 0.738 5.057 4.320 -0.000 0.000 0.306 39 A C -1.361 175.951 177.584 -0.454 0.000 1.050 39 A CA -0.519 51.185 52.037 -0.554 0.000 0.724 39 A CB 1.691 20.055 19.000 -1.060 0.000 1.248 39 A HN 0.923 nan 8.150 nan 0.000 0.424 40 V N -0.161 119.534 119.914 -0.366 0.000 2.888 40 V HA 0.900 5.020 4.120 -0.000 0.000 0.309 40 V C 0.313 176.445 176.094 0.064 0.000 1.114 40 V CA -0.180 62.047 62.300 -0.120 0.000 0.940 40 V CB 1.209 32.886 31.823 -0.243 0.000 1.021 40 V HN 1.784 nan 8.190 nan 0.000 0.426 41 G N 2.150 111.088 108.800 0.230 0.000 2.265 41 G HA2 0.486 4.446 3.960 -0.000 0.000 0.240 41 G HA3 0.486 4.446 3.960 -0.000 0.000 0.240 41 G C 0.630 175.636 174.900 0.177 0.000 1.270 41 G CA 0.242 45.461 45.100 0.199 0.000 0.901 41 G HN 2.059 nan 8.290 nan 0.000 0.507 42 A N 1.460 124.356 122.820 0.126 0.000 2.603 42 A HA 0.780 5.099 4.320 -0.000 0.000 0.277 42 A C 0.793 178.384 177.584 0.011 0.000 1.158 42 A CA 0.846 52.958 52.037 0.125 0.000 0.962 42 A CB 0.224 19.250 19.000 0.043 0.000 1.189 42 A HN 1.861 nan 8.150 nan 0.000 0.552 43 A N 0.389 123.070 122.820 -0.232 0.000 2.572 43 A HA 0.737 5.056 4.320 -0.000 0.000 0.295 43 A C -3.057 173.956 177.584 -0.951 0.000 1.072 43 A CA -1.477 50.257 52.037 -0.506 0.000 0.691 43 A CB 0.907 19.786 19.000 -0.202 0.000 1.291 43 A HN -0.027 nan 8.150 nan 0.000 0.404 44 P HA 0.008 nan 4.420 nan 0.000 0.231 44 P C -0.328 176.782 177.300 -0.317 0.000 1.756 44 P CA 0.239 62.892 63.100 -0.745 0.000 0.990 44 P CB -0.741 30.728 31.700 -0.386 0.000 1.973 45 H N 4.059 122.914 119.070 -0.358 0.000 2.928 45 H HA 0.036 4.592 4.556 -0.000 0.000 0.338 45 H C -1.092 174.106 175.328 -0.217 0.000 1.047 45 H CA -0.970 54.928 56.048 -0.251 0.000 1.435 45 H CB 0.972 30.609 29.762 -0.208 0.000 1.428 45 H HN 0.112 nan 8.280 nan 0.000 0.590 46 P HA -0.174 nan 4.420 nan 0.000 0.219 46 P C 1.343 178.734 177.300 0.151 0.000 1.146 46 P CA 1.316 64.326 63.100 -0.150 0.000 0.808 46 P CB -0.122 31.437 31.700 -0.235 0.000 0.779 47 F N -0.905 119.104 119.950 0.098 0.000 2.748 47 F HA 0.071 4.597 4.527 -0.000 0.000 0.299 47 F C 1.327 177.013 175.800 -0.190 0.000 1.154 47 F CA -0.403 57.594 58.000 -0.005 0.000 1.446 47 F CB 0.043 39.100 39.000 0.095 0.000 1.112 47 F HN -0.194 nan 8.300 nan 0.000 0.584 48 L N 0.418 121.636 121.223 -0.008 0.000 2.289 48 L HA 0.191 4.531 4.340 -0.000 0.000 0.285 48 L C 1.288 178.099 176.870 -0.099 0.000 1.049 48 L CA -0.586 54.167 54.840 -0.145 0.000 0.804 48 L CB 1.038 42.969 42.059 -0.213 0.000 1.195 48 L HN 0.113 nan 8.230 nan 0.000 0.428 49 H N 3.370 122.399 119.070 -0.067 0.000 2.428 49 H HA 0.053 4.609 4.556 -0.000 0.000 0.296 49 H C 0.368 175.690 175.328 -0.011 0.000 1.062 49 H CA 0.730 56.754 56.048 -0.039 0.000 1.350 49 H CB 0.437 30.156 29.762 -0.072 0.000 1.403 49 H HN 0.554 nan 8.280 nan 0.000 0.533 50 R N -0.741 119.833 120.500 0.125 0.000 2.728 50 R HA 0.282 4.622 4.340 -0.000 0.000 0.274 50 R C -1.973 174.393 176.300 0.109 0.000 1.030 50 R CA -0.877 55.245 56.100 0.037 0.000 0.876 50 R CB 1.498 31.777 30.300 -0.035 0.000 1.259 50 R HN 0.072 nan 8.270 nan 0.000 0.468 51 Y N -2.155 118.137 120.300 -0.013 0.000 2.624 51 Y HA 0.493 5.042 4.550 -0.000 0.000 0.334 51 Y C -1.661 174.284 175.900 0.075 0.000 1.155 51 Y CA -1.588 56.512 58.100 -0.001 0.000 1.046 51 Y CB 0.654 39.090 38.460 -0.041 0.000 1.316 51 Y HN 0.550 nan 8.280 nan 0.000 0.457 52 Y N 3.106 123.448 120.300 0.070 0.000 2.496 52 Y HA 0.293 4.843 4.550 -0.000 0.000 0.334 52 Y C -0.477 175.425 175.900 0.003 0.000 1.080 52 Y CA -0.791 57.298 58.100 -0.019 0.000 1.355 52 Y CB 0.777 39.213 38.460 -0.039 0.000 1.193 52 Y HN 0.711 nan 8.280 nan 0.000 0.523 53 Q N 7.305 127.062 119.800 -0.072 0.000 2.509 53 Q HA 0.269 4.609 4.340 -0.000 0.000 0.236 53 Q C 0.983 176.749 176.000 -0.389 0.000 1.073 53 Q CA -0.415 55.266 55.803 -0.203 0.000 0.867 53 Q CB 0.940 29.595 28.738 -0.140 0.000 1.181 53 Q HN 0.782 nan 8.270 nan 0.000 0.526 54 R N 1.196 121.263 120.500 -0.721 0.000 2.105 54 R HA -0.215 4.125 4.340 -0.000 0.000 0.239 54 R C 2.212 178.277 176.300 -0.390 0.000 1.135 54 R CA 1.614 57.202 56.100 -0.854 0.000 0.967 54 R CB 0.032 29.607 30.300 -1.209 0.000 0.861 54 R HN 0.604 nan 8.270 nan 0.000 0.442 55 Q N 1.173 120.820 119.800 -0.256 0.000 2.234 55 Q HA -0.179 4.161 4.340 -0.000 0.000 0.206 55 Q C 1.638 177.599 176.000 -0.066 0.000 0.980 55 Q CA 1.568 57.300 55.803 -0.118 0.000 0.869 55 Q CB -0.268 28.421 28.738 -0.083 0.000 0.912 55 Q HN 0.452 nan 8.270 nan 0.000 0.436 56 L N 0.960 122.139 121.223 -0.073 0.000 2.558 56 L HA 0.172 4.511 4.340 -0.000 0.000 0.225 56 L C 1.092 177.970 176.870 0.014 0.000 1.128 56 L CA -0.006 54.819 54.840 -0.025 0.000 0.868 56 L CB 0.191 42.233 42.059 -0.029 0.000 1.006 56 L HN 0.033 nan 8.230 nan 0.000 0.454 57 S N -0.582 115.135 115.700 0.027 0.000 2.442 57 S HA 0.188 4.658 4.470 -0.000 0.000 0.297 57 S C 1.148 175.816 174.600 0.114 0.000 1.131 57 S CA -0.447 57.813 58.200 0.099 0.000 1.092 57 S CB 1.401 64.714 63.200 0.188 0.000 0.998 57 S HN 0.284 nan 8.310 nan 0.000 0.478 58 S N 2.837 118.596 115.700 0.098 0.000 2.496 58 S HA -0.052 4.418 4.470 -0.000 0.000 0.224 58 S C 1.359 176.021 174.600 0.103 0.000 0.996 58 S CA 0.868 59.121 58.200 0.087 0.000 0.927 58 S CB -0.583 62.653 63.200 0.060 0.000 0.774 58 S HN 0.837 nan 8.310 nan 0.000 0.524 59 T N -2.359 112.273 114.554 0.130 0.000 3.086 59 T HA 0.231 4.581 4.350 -0.000 0.000 0.250 59 T C 0.246 175.036 174.700 0.150 0.000 1.074 59 T CA -0.549 61.622 62.100 0.117 0.000 0.988 59 T CB -0.680 68.249 68.868 0.102 0.000 0.988 59 T HN 0.386 nan 8.240 nan 0.000 0.530 60 Y N 3.360 123.712 120.300 0.086 0.000 2.620 60 Y HA 0.330 4.879 4.550 -0.000 0.000 0.330 60 Y C 0.204 176.144 175.900 0.066 0.000 1.186 60 Y CA -0.814 57.345 58.100 0.097 0.000 1.467 60 Y CB 0.322 38.829 38.460 0.078 0.000 1.262 60 Y HN 0.070 nan 8.280 nan 0.000 0.550 61 R N 4.873 124.914 120.500 -0.765 0.000 2.451 61 R HA 0.159 4.499 4.340 -0.000 0.000 0.307 61 R C -1.335 174.489 176.300 -0.793 0.000 0.965 61 R CA -1.038 54.717 56.100 -0.576 0.000 0.865 61 R CB 1.100 31.252 30.300 -0.246 0.000 1.174 61 R HN 0.640 nan 8.270 nan 0.000 0.455 62 D N 2.911 122.986 120.400 -0.541 0.000 2.425 62 D HA 0.012 4.652 4.640 -0.000 0.000 0.247 62 D C 0.611 176.843 176.300 -0.114 0.000 1.147 62 D CA 0.210 54.072 54.000 -0.231 0.000 0.879 62 D CB 1.173 41.972 40.800 -0.002 0.000 1.179 62 D HN 0.499 nan 8.370 nan 0.000 0.456 63 L N 3.324 124.523 121.223 -0.039 0.000 2.585 63 L HA 0.187 4.526 4.340 -0.000 0.000 0.226 63 L C 0.738 177.620 176.870 0.020 0.000 1.113 63 L CA -0.103 54.734 54.840 -0.006 0.000 0.876 63 L CB 0.026 42.097 42.059 0.019 0.000 1.072 63 L HN 0.460 nan 8.230 nan 0.000 0.468 64 R N 1.093 121.614 120.500 0.035 0.000 3.205 64 R HA -0.205 4.135 4.340 -0.000 0.000 0.249 64 R C -0.241 176.082 176.300 0.040 0.000 0.937 64 R CA 0.605 56.728 56.100 0.039 0.000 0.641 64 R CB -1.477 28.838 30.300 0.025 0.000 1.114 64 R HN 0.227 nan 8.270 nan 0.000 0.451 65 K N -0.409 120.023 120.400 0.053 0.000 2.569 65 K HA 0.454 4.774 4.320 -0.000 0.000 0.259 65 K C -0.376 176.265 176.600 0.067 0.000 0.932 65 K CA -0.106 56.211 56.287 0.051 0.000 0.833 65 K CB 1.744 34.272 32.500 0.046 0.000 1.340 65 K HN 0.173 nan 8.250 nan 0.000 0.429 66 G N 1.088 109.924 108.800 0.060 0.000 2.488 66 G HA2 0.645 4.605 3.960 -0.000 0.000 0.318 66 G HA3 0.645 4.605 3.960 -0.000 0.000 0.318 66 G C -1.352 173.588 174.900 0.066 0.000 1.188 66 G CA -0.560 44.584 45.100 0.072 0.000 0.944 66 G HN 0.417 nan 8.290 nan 0.000 0.495 67 V N -0.019 119.937 119.914 0.071 0.000 2.808 67 V HA 0.704 4.824 4.120 -0.000 0.000 0.308 67 V C -2.088 173.963 176.094 -0.071 0.000 1.099 67 V CA -0.955 61.350 62.300 0.009 0.000 0.920 67 V CB 1.875 33.723 31.823 0.040 0.000 1.014 67 V HN 0.803 nan 8.190 nan 0.000 0.425 68 Y N 5.038 125.161 120.300 -0.294 0.000 2.346 68 Y HA 0.747 5.297 4.550 -0.000 0.000 0.332 68 Y C -1.050 174.507 175.900 -0.571 0.000 0.985 68 Y CA -0.628 57.240 58.100 -0.387 0.000 1.112 68 Y CB 2.132 40.456 38.460 -0.227 0.000 1.170 68 Y HN 0.461 nan 8.280 nan 0.000 0.447 69 V N 9.163 128.369 119.914 -1.181 0.000 2.304 69 V HA 0.391 4.511 4.120 -0.000 0.000 0.278 69 V C -2.331 173.110 176.094 -1.088 0.000 1.018 69 V CA -1.767 59.842 62.300 -1.152 0.000 0.814 69 V CB 1.107 31.898 31.823 -1.721 0.000 1.021 69 V HN 0.627 nan 8.190 nan 0.000 0.440 70 P HA 0.467 nan 4.420 nan 0.000 0.281 70 P C -1.525 175.469 177.300 -0.510 0.000 1.249 70 P CA -0.277 62.605 63.100 -0.364 0.000 0.810 70 P CB 1.227 32.938 31.700 0.019 0.000 1.008 71 Y N -1.351 118.934 120.300 -0.025 0.000 2.634 71 Y HA 0.266 4.815 4.550 -0.000 0.000 0.340 71 Y C 2.144 178.067 175.900 0.039 0.000 1.058 71 Y CA -0.472 57.642 58.100 0.024 0.000 1.081 71 Y CB 0.632 39.127 38.460 0.058 0.000 1.295 71 Y HN 0.186 nan 8.280 nan 0.000 0.487 72 T N -0.039 114.650 114.554 0.225 0.000 2.665 72 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 72 T C 1.284 176.061 174.700 0.129 0.000 1.035 72 T CA 2.315 64.497 62.100 0.136 0.000 1.151 72 T CB -0.126 68.806 68.868 0.105 0.000 0.862 72 T HN 0.602 nan 8.240 nan 0.000 0.438 73 Q N 0.254 120.143 119.800 0.147 0.000 1.822 73 Q HA 0.324 4.664 4.340 -0.000 0.000 0.251 73 Q C 1.994 178.076 176.000 0.137 0.000 0.969 73 Q CA 1.361 57.235 55.803 0.118 0.000 0.875 73 Q CB -0.702 28.090 28.738 0.089 0.000 0.917 73 Q HN 0.518 nan 8.270 nan 0.000 0.428 74 G N -0.799 108.108 108.800 0.179 0.000 3.387 74 G HA2 0.580 4.539 3.960 -0.000 0.000 0.194 74 G HA3 0.580 4.539 3.960 -0.000 0.000 0.194 74 G C -1.002 174.030 174.900 0.220 0.000 1.417 74 G CA 0.040 45.244 45.100 0.173 0.000 0.777 74 G HN 0.291 nan 8.290 nan 0.000 0.721 75 K N -1.750 118.780 120.400 0.217 0.000 2.809 75 K HA 0.388 4.708 4.320 -0.000 0.000 0.293 75 K C -1.721 174.862 176.600 -0.028 0.000 1.061 75 K CA -0.937 55.362 56.287 0.021 0.000 0.837 75 K CB 0.668 32.950 32.500 -0.362 0.000 1.524 75 K HN 0.945 nan 8.250 nan 0.000 0.370 76 W N 0.358 121.405 121.300 -0.422 0.000 3.033 76 W HA 0.791 5.451 4.660 -0.000 0.000 0.336 76 W C -1.585 174.613 176.519 -0.534 0.000 1.173 76 W CA -0.451 56.572 57.345 -0.536 0.000 1.185 76 W CB 1.643 30.571 29.460 -0.886 0.000 1.425 76 W HN 0.911 nan 8.180 nan 0.000 0.536 77 E N 1.178 121.375 120.200 -0.005 0.000 2.331 77 E HA 0.630 4.980 4.350 -0.000 0.000 0.275 77 E C -0.939 175.797 176.600 0.227 0.000 0.895 77 E CA -0.532 55.849 56.400 -0.032 0.000 0.753 77 E CB 2.470 32.140 29.700 -0.050 0.000 1.216 77 E HN 0.843 nan 8.360 nan 0.000 0.434 78 G N 2.135 111.080 108.800 0.242 0.000 2.606 78 G HA2 0.381 4.341 3.960 -0.000 0.000 0.300 78 G HA3 0.381 4.341 3.960 -0.000 0.000 0.300 78 G C -1.500 173.505 174.900 0.176 0.000 1.360 78 G CA -0.719 44.518 45.100 0.228 0.000 0.783 78 G HN 0.467 nan 8.290 nan 0.000 0.484 79 E N -0.119 120.171 120.200 0.150 0.000 2.171 79 E HA 0.496 4.846 4.350 -0.000 0.000 0.271 79 E C -0.561 176.140 176.600 0.168 0.000 0.916 79 E CA -0.524 55.959 56.400 0.138 0.000 0.774 79 E CB 2.560 32.330 29.700 0.117 0.000 1.128 79 E HN 0.276 nan 8.360 nan 0.000 0.403 80 L N 2.194 123.511 121.223 0.156 0.000 2.350 80 L HA 0.655 4.995 4.340 -0.000 0.000 0.275 80 L C 0.660 177.630 176.870 0.167 0.000 1.099 80 L CA -0.143 54.793 54.840 0.159 0.000 0.808 80 L CB 1.037 43.171 42.059 0.124 0.000 1.149 80 L HN 0.679 nan 8.230 nan 0.000 0.442 81 G N 0.360 109.270 108.800 0.184 0.000 2.663 81 G HA2 0.644 4.604 3.960 -0.000 0.000 0.299 81 G HA3 0.644 4.604 3.960 -0.000 0.000 0.299 81 G C -1.274 173.677 174.900 0.085 0.000 1.372 81 G CA -0.250 44.899 45.100 0.082 0.000 0.781 81 G HN 0.537 nan 8.290 nan 0.000 0.491 82 T N -1.880 112.652 114.554 -0.037 0.000 2.907 82 T HA 0.761 5.111 4.350 -0.000 0.000 0.292 82 T C -1.465 173.295 174.700 0.100 0.000 1.043 82 T CA -0.664 61.473 62.100 0.062 0.000 1.003 82 T CB 2.872 71.754 68.868 0.024 0.000 1.084 82 T HN 0.569 nan 8.240 nan 0.000 0.483 83 D N 0.171 120.682 120.400 0.185 0.000 2.665 83 D HA 0.361 5.001 4.640 -0.000 0.000 0.287 83 D C -0.913 175.485 176.300 0.162 0.000 1.266 83 D CA -0.685 53.443 54.000 0.214 0.000 0.830 83 D CB 1.950 42.965 40.800 0.358 0.000 1.356 83 D HN 0.661 nan 8.370 nan 0.000 0.437 84 L N 1.031 122.337 121.223 0.139 0.000 2.367 84 L HA 0.450 4.790 4.340 -0.000 0.000 0.275 84 L C -0.226 176.711 176.870 0.113 0.000 1.129 84 L CA -0.496 54.408 54.840 0.107 0.000 0.839 84 L CB 1.085 43.193 42.059 0.082 0.000 1.133 84 L HN 0.067 nan 8.230 nan 0.000 0.453 85 V N 2.368 122.356 119.914 0.123 0.000 2.656 85 V HA 0.510 4.629 4.120 -0.000 0.000 0.307 85 V C -0.200 175.957 176.094 0.105 0.000 1.051 85 V CA -0.423 61.956 62.300 0.132 0.000 0.893 85 V CB 1.974 33.932 31.823 0.225 0.000 0.999 85 V HN 0.803 nan 8.190 nan 0.000 0.426 86 S N 3.593 119.325 115.700 0.054 0.000 2.632 86 S HA 0.766 5.236 4.470 -0.000 0.000 0.289 86 S C -0.782 173.817 174.600 -0.001 0.000 1.115 86 S CA -0.555 57.667 58.200 0.037 0.000 0.889 86 S CB 1.860 65.070 63.200 0.018 0.000 1.116 86 S HN 0.568 nan 8.310 nan 0.000 0.486 87 I N 2.878 123.451 120.570 0.005 0.000 2.437 87 I HA 0.286 4.456 4.170 -0.000 0.000 0.279 87 I C -2.001 174.102 176.117 -0.022 0.000 1.028 87 I CA -2.121 59.170 61.300 -0.016 0.000 1.142 87 I CB 1.845 39.843 38.000 -0.003 0.000 1.266 87 I HN 0.397 nan 8.210 nan 0.000 0.461 88 P HA -0.199 nan 4.420 nan 0.000 0.215 88 P C 0.705 177.857 177.300 -0.247 0.000 1.163 88 P CA 1.584 64.575 63.100 -0.181 0.000 0.894 88 P CB 0.042 31.582 31.700 -0.267 0.000 0.791 89 H N -0.945 118.141 119.070 0.026 0.000 2.727 89 H HA 0.443 4.998 4.556 -0.000 0.000 0.312 89 H C 1.111 176.462 175.328 0.038 0.000 1.204 89 H CA 0.267 56.335 56.048 0.033 0.000 1.122 89 H CB -0.510 29.269 29.762 0.028 0.000 1.453 89 H HN 0.147 nan 8.280 nan 0.000 0.514 90 G N 0.899 109.755 108.800 0.094 0.000 3.166 90 G HA2 0.317 4.277 3.960 -0.000 0.000 0.267 90 G HA3 0.317 4.277 3.960 -0.000 0.000 0.267 90 G C -2.613 172.337 174.900 0.084 0.000 1.256 90 G CA -1.226 43.925 45.100 0.086 0.000 0.859 90 G HN -0.054 nan 8.290 nan 0.000 0.590 91 P HA 0.160 nan 4.420 nan 0.000 0.271 91 P C -0.673 176.661 177.300 0.056 0.000 1.216 91 P CA -0.384 62.766 63.100 0.083 0.000 0.776 91 P CB 0.709 32.449 31.700 0.068 0.000 0.881 92 N N 1.633 120.366 118.700 0.056 0.000 3.193 92 N HA 0.152 4.892 4.740 -0.000 0.000 0.312 92 N C -0.013 175.515 175.510 0.030 0.000 1.261 92 N CA 0.168 53.240 53.050 0.036 0.000 1.208 92 N CB -0.419 38.089 38.487 0.034 0.000 1.471 92 N HN 0.275 nan 8.380 nan 0.000 0.548 93 V N -2.367 117.561 119.914 0.024 0.000 3.130 93 V HA 0.717 4.837 4.120 -0.000 0.000 0.310 93 V C -0.035 176.067 176.094 0.013 0.000 1.158 93 V CA -0.681 61.628 62.300 0.014 0.000 1.029 93 V CB 2.251 34.072 31.823 -0.002 0.000 1.057 93 V HN 0.019 nan 8.190 nan 0.000 0.436 94 T N 1.946 116.504 114.554 0.007 0.000 2.881 94 T HA 0.736 5.085 4.350 -0.000 0.000 0.290 94 T C -0.587 174.112 174.700 -0.000 0.000 1.000 94 T CA -0.292 61.818 62.100 0.017 0.000 0.978 94 T CB 1.441 70.323 68.868 0.023 0.000 0.997 94 T HN 1.605 nan 8.240 nan 0.000 0.443 95 V N 1.283 121.203 119.914 0.010 0.000 2.823 95 V HA 0.737 4.857 4.120 -0.000 0.000 0.312 95 V C -0.334 175.775 176.094 0.025 0.000 1.072 95 V CA -1.480 60.804 62.300 -0.026 0.000 0.937 95 V CB 1.890 33.631 31.823 -0.137 0.000 1.013 95 V HN 0.837 nan 8.190 nan 0.000 0.430 96 R N 2.430 122.935 120.500 0.008 0.000 2.267 96 R HA 0.745 5.085 4.340 -0.000 0.000 0.319 96 R C -0.181 176.149 176.300 0.049 0.000 1.067 96 R CA 0.478 56.603 56.100 0.041 0.000 0.936 96 R CB 0.750 31.063 30.300 0.023 0.000 1.006 96 R HN 1.231 nan 8.270 nan 0.000 0.452 97 A N 4.276 127.173 122.820 0.128 0.000 2.413 97 A HA 0.414 4.734 4.320 -0.000 0.000 0.307 97 A C -0.975 176.738 177.584 0.216 0.000 1.087 97 A CA -1.061 51.088 52.037 0.187 0.000 0.750 97 A CB 1.241 20.459 19.000 0.365 0.000 1.296 97 A HN 0.790 nan 8.150 nan 0.000 0.423 98 N N 0.545 119.370 118.700 0.209 0.000 2.458 98 N HA 0.319 5.058 4.740 -0.000 0.000 0.258 98 N C -0.829 174.848 175.510 0.279 0.000 1.219 98 N CA 0.772 53.946 53.050 0.206 0.000 0.902 98 N CB 0.546 39.136 38.487 0.172 0.000 1.076 98 N HN 0.522 nan 8.380 nan 0.000 0.455 99 I N 0.684 121.370 120.570 0.193 0.000 2.534 99 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 99 I C -0.347 175.811 176.117 0.069 0.000 1.077 99 I CA -1.034 60.292 61.300 0.043 0.000 1.051 99 I CB 1.986 39.975 38.000 -0.019 0.000 1.234 99 I HN 0.359 nan 8.210 nan 0.000 0.425 100 A N 4.901 127.708 122.820 -0.021 0.000 2.279 100 A HA 0.751 5.071 4.320 -0.000 0.000 0.306 100 A C 0.300 177.867 177.584 -0.029 0.000 1.300 100 A CA -0.427 51.638 52.037 0.047 0.000 0.925 100 A CB 0.419 19.496 19.000 0.129 0.000 1.152 100 A HN 0.814 nan 8.150 nan 0.000 0.544 101 A N 4.031 126.902 122.820 0.086 0.000 2.376 101 A HA 0.511 4.831 4.320 -0.000 0.000 0.298 101 A C 0.121 177.741 177.584 0.059 0.000 1.271 101 A CA -0.253 51.834 52.037 0.083 0.000 0.926 101 A CB -0.508 18.534 19.000 0.069 0.000 1.141 101 A HN 0.767 nan 8.150 nan 0.000 0.539 102 I N 3.511 124.092 120.570 0.018 0.000 2.436 102 I HA 0.067 4.237 4.170 -0.000 0.000 0.289 102 I C 1.510 177.683 176.117 0.092 0.000 1.083 102 I CA 0.300 61.629 61.300 0.048 0.000 1.372 102 I CB 1.016 38.991 38.000 -0.040 0.000 1.408 102 I HN 0.828 nan 8.210 nan 0.000 0.516 103 T N 0.850 115.461 114.554 0.094 0.000 2.990 103 T HA 0.220 4.569 4.350 -0.000 0.000 0.250 103 T C 0.511 175.256 174.700 0.076 0.000 1.041 103 T CA -0.053 62.086 62.100 0.065 0.000 1.010 103 T CB 0.532 69.431 68.868 0.050 0.000 1.003 103 T HN 0.465 nan 8.240 nan 0.000 0.499 104 E N 1.373 121.629 120.200 0.093 0.000 2.321 104 E HA 0.486 4.836 4.350 -0.000 0.000 0.281 104 E C -1.541 175.099 176.600 0.066 0.000 0.910 104 E CA -0.221 56.230 56.400 0.085 0.000 0.770 104 E CB 2.439 32.180 29.700 0.070 0.000 1.225 104 E HN 0.428 nan 8.360 nan 0.000 0.417 105 S N 2.265 118.013 115.700 0.079 0.000 2.607 105 S HA 0.739 5.209 4.470 -0.000 0.000 0.273 105 S C -1.244 173.402 174.600 0.077 0.000 1.148 105 S CA -0.938 57.281 58.200 0.030 0.000 0.833 105 S CB 2.387 65.536 63.200 -0.086 0.000 1.130 105 S HN 0.336 nan 8.310 nan 0.000 0.470 106 D N -0.093 120.360 120.400 0.088 0.000 2.855 106 D HA 0.438 5.078 4.640 -0.000 0.000 0.241 106 D C -1.068 175.321 176.300 0.149 0.000 1.277 106 D CA -0.454 53.615 54.000 0.114 0.000 0.918 106 D CB 0.948 41.806 40.800 0.095 0.000 1.462 106 D HN 0.709 nan 8.370 nan 0.000 0.559 107 K N 1.977 122.466 120.400 0.148 0.000 3.016 107 K HA -0.263 4.056 4.320 -0.000 0.000 0.262 107 K C 0.052 176.728 176.600 0.127 0.000 1.043 107 K CA 0.512 56.882 56.287 0.139 0.000 0.761 107 K CB -1.138 31.427 32.500 0.110 0.000 1.230 107 K HN 0.454 nan 8.250 nan 0.000 0.485 108 F N 0.042 119.951 119.950 -0.068 0.000 2.390 108 F HA 0.272 4.799 4.527 -0.000 0.000 0.281 108 F C 0.627 176.345 175.800 -0.136 0.000 1.016 108 F CA 0.044 57.943 58.000 -0.168 0.000 1.286 108 F CB 0.403 39.210 39.000 -0.321 0.000 1.134 108 F HN -0.053 nan 8.300 nan 0.000 0.597 109 F N 1.923 121.856 119.950 -0.028 0.000 2.429 109 F HA 0.315 4.842 4.527 -0.000 0.000 0.348 109 F C 0.051 175.779 175.800 -0.120 0.000 1.109 109 F CA -0.504 57.322 58.000 -0.289 0.000 1.232 109 F CB 0.499 39.320 39.000 -0.298 0.000 1.157 109 F HN -0.282 nan 8.300 nan 0.000 0.564 110 I N 2.562 123.018 120.570 -0.191 0.000 2.336 110 I HA 0.110 4.279 4.170 -0.000 0.000 0.292 110 I C -0.039 175.866 176.117 -0.354 0.000 0.991 110 I CA -0.754 60.432 61.300 -0.190 0.000 1.227 110 I CB 1.055 38.906 38.000 -0.249 0.000 1.366 110 I HN 0.497 nan 8.210 nan 0.000 0.466 111 N N 4.845 123.134 118.700 -0.685 0.000 2.423 111 N HA 0.166 4.905 4.740 -0.000 0.000 0.275 111 N C 0.734 175.912 175.510 -0.553 0.000 1.283 111 N CA 1.393 53.737 53.050 -1.177 0.000 0.932 111 N CB 0.401 38.046 38.487 -1.404 0.000 1.185 111 N HN 0.868 nan 8.380 nan 0.000 0.483 112 G N 1.428 109.976 108.800 -0.420 0.000 2.184 112 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.206 112 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.206 112 G C 0.130 174.930 174.900 -0.168 0.000 0.995 112 G CA 0.221 45.178 45.100 -0.238 0.000 0.651 112 G HN 0.935 nan 8.290 nan 0.000 0.511 113 S N -0.579 114.967 115.700 -0.258 0.000 2.652 113 S HA 0.604 5.074 4.470 -0.000 0.000 0.270 113 S C 0.581 175.035 174.600 -0.244 0.000 1.243 113 S CA 0.275 58.298 58.200 -0.295 0.000 0.999 113 S CB 1.789 64.624 63.200 -0.607 0.000 0.973 113 S HN 0.262 nan 8.310 nan 0.000 0.544 114 N N 0.888 119.415 118.700 -0.288 0.000 2.238 114 N HA 0.234 4.973 4.740 -0.000 0.000 0.222 114 N C -0.578 174.617 175.510 -0.525 0.000 1.133 114 N CA -0.685 52.131 53.050 -0.389 0.000 0.854 114 N CB 0.224 38.483 38.487 -0.382 0.000 1.041 114 N HN 0.765 nan 8.380 nan 0.000 0.510 115 W N -0.562 120.483 121.300 -0.426 0.000 2.719 115 W HA 0.551 5.211 4.660 -0.000 0.000 0.352 115 W C -0.626 175.818 176.519 -0.126 0.000 1.085 115 W CA -0.670 56.465 57.345 -0.350 0.000 1.187 115 W CB 0.730 30.005 29.460 -0.308 0.000 1.417 115 W HN -0.112 nan 8.180 nan 0.000 0.557 116 E N 1.082 121.482 120.200 0.332 0.000 2.676 116 E HA 0.338 4.688 4.350 -0.000 0.000 0.225 116 E C 0.468 177.317 176.600 0.416 0.000 0.944 116 E CA 0.008 56.506 56.400 0.164 0.000 1.156 116 E CB 1.548 31.265 29.700 0.028 0.000 1.117 116 E HN 0.659 nan 8.360 nan 0.000 0.523 117 G N 0.133 109.263 108.800 0.550 0.000 2.619 117 G HA2 0.624 4.584 3.960 -0.000 0.000 0.305 117 G HA3 0.624 4.584 3.960 -0.000 0.000 0.305 117 G C -1.799 173.219 174.900 0.197 0.000 1.330 117 G CA -0.660 44.663 45.100 0.372 0.000 0.789 117 G HN 0.047 nan 8.290 nan 0.000 0.487 118 I N -0.347 120.284 120.570 0.102 0.000 2.619 118 I HA 0.617 4.787 4.170 -0.000 0.000 0.292 118 I C -1.686 174.511 176.117 0.133 0.000 1.100 118 I CA -1.144 60.168 61.300 0.020 0.000 1.043 118 I CB 2.135 40.174 38.000 0.064 0.000 1.239 118 I HN 0.458 nan 8.210 nan 0.000 0.420 119 L N 7.795 129.038 121.223 0.033 0.000 2.301 119 L HA 0.616 4.955 4.340 -0.000 0.000 0.278 119 L C 0.067 176.912 176.870 -0.041 0.000 1.022 119 L CA -0.084 54.746 54.840 -0.017 0.000 0.854 119 L CB 0.922 42.826 42.059 -0.259 0.000 1.226 119 L HN 0.625 nan 8.230 nan 0.000 0.429 120 G N 5.081 113.912 108.800 0.053 0.000 2.356 120 G HA2 0.341 4.301 3.960 -0.000 0.000 0.273 120 G HA3 0.341 4.301 3.960 -0.000 0.000 0.273 120 G C 0.480 175.377 174.900 -0.005 0.000 1.213 120 G CA -0.340 44.786 45.100 0.044 0.000 0.955 120 G HN 0.739 nan 8.290 nan 0.000 0.454 121 L N 1.919 123.099 121.223 -0.072 0.000 2.640 121 L HA 0.262 4.601 4.340 -0.000 0.000 0.230 121 L C 1.877 178.724 176.870 -0.038 0.000 1.123 121 L CA -0.094 54.656 54.840 -0.151 0.000 0.900 121 L CB -0.000 41.781 42.059 -0.463 0.000 1.146 121 L HN 0.600 nan 8.230 nan 0.000 0.484 122 A N -0.878 121.902 122.820 -0.067 0.000 2.336 122 A HA 0.429 4.748 4.320 -0.000 0.000 0.278 122 A C -0.739 176.640 177.584 -0.343 0.000 1.371 122 A CA -0.154 51.678 52.037 -0.342 0.000 0.842 122 A CB 0.045 18.900 19.000 -0.243 0.000 1.363 122 A HN 0.079 nan 8.150 nan 0.000 0.517 123 Y N -1.778 118.418 120.300 -0.173 0.000 2.374 123 Y HA 0.434 4.984 4.550 -0.000 0.000 0.322 123 Y C 1.660 177.553 175.900 -0.010 0.000 1.275 123 Y CA 0.213 58.282 58.100 -0.051 0.000 1.307 123 Y CB 0.932 39.371 38.460 -0.034 0.000 1.282 123 Y HN 0.669 nan 8.280 nan 0.000 0.509 124 A N 0.782 123.724 122.820 0.203 0.000 1.986 124 A HA -0.283 4.036 4.320 -0.000 0.000 0.220 124 A C 1.971 179.618 177.584 0.105 0.000 1.171 124 A CA 2.080 54.193 52.037 0.127 0.000 0.640 124 A CB -0.770 18.299 19.000 0.115 0.000 0.811 124 A HN 0.924 nan 8.150 nan 0.000 0.451 125 E N 0.396 120.674 120.200 0.130 0.000 2.171 125 E HA -0.191 4.159 4.350 -0.000 0.000 0.197 125 E C 1.473 178.134 176.600 0.102 0.000 0.997 125 E CA 1.730 58.198 56.400 0.114 0.000 0.810 125 E CB -0.374 29.417 29.700 0.151 0.000 0.738 125 E HN 0.830 nan 8.360 nan 0.000 0.467 126 I N -2.949 117.654 120.570 0.055 0.000 3.976 126 I HA 0.472 4.642 4.170 -0.000 0.000 0.337 126 I C 0.553 176.660 176.117 -0.016 0.000 1.359 126 I CA -0.481 60.804 61.300 -0.025 0.000 1.098 126 I CB 0.295 38.132 38.000 -0.270 0.000 1.027 126 I HN -0.013 nan 8.210 nan 0.000 0.394 127 A N 2.358 125.194 122.820 0.028 0.000 2.445 127 A HA 0.517 4.837 4.320 -0.000 0.000 0.242 127 A C 0.200 177.808 177.584 0.039 0.000 1.075 127 A CA -0.140 51.927 52.037 0.051 0.000 0.777 127 A CB 0.317 19.362 19.000 0.075 0.000 1.013 127 A HN 0.414 nan 8.150 nan 0.000 0.493 128 R N 2.324 122.849 120.500 0.042 0.000 2.664 128 R HA 0.380 4.719 4.340 -0.000 0.000 0.286 128 R C -2.344 173.978 176.300 0.037 0.000 0.967 128 R CA -2.044 54.059 56.100 0.005 0.000 0.933 128 R CB 0.865 31.118 30.300 -0.079 0.000 1.146 128 R HN 0.522 nan 8.270 nan 0.000 0.468 129 P HA -0.055 nan 4.420 nan 0.000 0.236 129 P C -0.642 176.663 177.300 0.009 0.000 1.177 129 P CA 0.922 64.022 63.100 0.000 0.000 0.773 129 P CB 0.343 32.046 31.700 0.004 0.000 0.878 130 D N -2.298 118.116 120.400 0.025 0.000 2.713 130 D HA 0.073 4.713 4.640 -0.000 0.000 0.306 130 D C -0.158 176.166 176.300 0.039 0.000 1.299 130 D CA -0.663 53.354 54.000 0.027 0.000 0.823 130 D CB -0.292 40.521 40.800 0.021 0.000 1.353 130 D HN -0.319 nan 8.370 nan 0.000 0.447 131 D N -0.766 119.657 120.400 0.039 0.000 2.378 131 D HA -0.100 4.540 4.640 -0.000 0.000 0.227 131 D C 1.403 177.731 176.300 0.048 0.000 1.012 131 D CA 0.993 55.022 54.000 0.048 0.000 0.905 131 D CB -0.341 40.487 40.800 0.045 0.000 0.895 131 D HN 0.296 nan 8.370 nan 0.000 0.532 132 S N -0.563 115.161 115.700 0.040 0.000 2.496 132 S HA -0.018 4.452 4.470 -0.000 0.000 0.224 132 S C 0.847 175.475 174.600 0.047 0.000 0.996 132 S CA -0.548 57.675 58.200 0.038 0.000 0.927 132 S CB -0.512 62.706 63.200 0.029 0.000 0.774 132 S HN 0.234 nan 8.310 nan 0.000 0.524 133 L N 3.249 124.507 121.223 0.057 0.000 2.363 133 L HA 0.356 4.696 4.340 -0.000 0.000 0.286 133 L C 0.203 177.122 176.870 0.082 0.000 1.106 133 L CA -0.104 54.779 54.840 0.072 0.000 0.859 133 L CB 0.089 42.199 42.059 0.085 0.000 1.223 133 L HN 0.276 nan 8.230 nan 0.000 0.446 134 E N 6.572 126.816 120.200 0.074 0.000 2.493 134 E HA 0.076 4.425 4.350 -0.000 0.000 0.255 134 E C -2.132 174.525 176.600 0.096 0.000 0.999 134 E CA -1.390 55.053 56.400 0.071 0.000 0.934 134 E CB 0.563 30.290 29.700 0.044 0.000 0.940 134 E HN 0.420 nan 8.360 nan 0.000 0.473 135 P HA -0.038 nan 4.420 nan 0.000 0.272 135 P C 0.022 177.401 177.300 0.131 0.000 1.240 135 P CA -0.193 62.988 63.100 0.136 0.000 0.791 135 P CB 0.384 32.150 31.700 0.111 0.000 0.978 136 F N 1.427 121.395 119.950 0.031 0.000 2.091 136 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 136 F C 1.985 177.755 175.800 -0.050 0.000 1.103 136 F CA 1.595 59.566 58.000 -0.047 0.000 1.228 136 F CB -0.768 38.115 39.000 -0.195 0.000 0.984 136 F HN 0.198 nan 8.300 nan 0.000 0.477 137 F N 1.247 121.092 119.950 -0.175 0.000 2.186 137 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 137 F C 2.377 178.041 175.800 -0.227 0.000 1.090 137 F CA 1.964 59.806 58.000 -0.263 0.000 1.307 137 F CB -0.607 38.330 39.000 -0.105 0.000 1.019 137 F HN 0.013 nan 8.300 nan 0.000 0.489 138 D N -0.545 119.855 120.400 0.000 0.000 2.104 138 D HA -0.181 4.458 4.640 -0.000 0.000 0.194 138 D C 2.378 178.573 176.300 -0.175 0.000 0.994 138 D CA 1.823 55.802 54.000 -0.035 0.000 0.830 138 D CB -0.289 40.536 40.800 0.041 0.000 0.959 138 D HN 0.242 nan 8.370 nan 0.000 0.452 139 S N 0.850 116.416 115.700 -0.224 0.000 2.370 139 S HA -0.174 4.295 4.470 -0.000 0.000 0.226 139 S C 1.949 176.324 174.600 -0.374 0.000 1.033 139 S CA 0.556 58.604 58.200 -0.254 0.000 1.011 139 S CB -0.320 62.745 63.200 -0.225 0.000 0.852 139 S HN 0.179 nan 8.310 nan 0.000 0.457 140 L N 1.729 122.574 121.223 -0.629 0.000 1.994 140 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 140 L C 2.205 178.790 176.870 -0.476 0.000 1.071 140 L CA 1.619 56.062 54.840 -0.662 0.000 0.745 140 L CB -0.670 40.785 42.059 -1.007 0.000 0.892 140 L HN 0.126 nan 8.230 nan 0.000 0.431 141 V N -0.126 119.494 119.914 -0.491 0.000 2.295 141 V HA -0.316 3.804 4.120 -0.000 0.000 0.246 141 V C 2.662 178.634 176.094 -0.203 0.000 1.049 141 V CA 2.192 64.309 62.300 -0.305 0.000 1.024 141 V CB -0.708 30.994 31.823 -0.203 0.000 0.648 141 V HN 0.502 nan 8.190 nan 0.000 0.447 142 K N -0.556 119.736 120.400 -0.181 0.000 2.147 142 K HA -0.201 4.118 4.320 -0.000 0.000 0.205 142 K C 2.126 178.636 176.600 -0.151 0.000 1.049 142 K CA 1.570 57.777 56.287 -0.134 0.000 0.936 142 K CB -0.002 32.438 32.500 -0.101 0.000 0.722 142 K HN 0.533 nan 8.250 nan 0.000 0.446 143 Q N -0.544 119.149 119.800 -0.177 0.000 2.396 143 Q HA 0.011 4.351 4.340 -0.000 0.000 0.209 143 Q C 0.476 176.373 176.000 -0.172 0.000 0.906 143 Q CA 0.643 56.352 55.803 -0.155 0.000 0.927 143 Q CB 1.157 29.813 28.738 -0.137 0.000 1.069 143 Q HN 0.332 nan 8.270 nan 0.000 0.523 144 T N -4.055 110.377 114.554 -0.204 0.000 2.724 144 T HA 0.274 4.624 4.350 -0.000 0.000 0.274 144 T C -0.013 174.538 174.700 -0.249 0.000 0.984 144 T CA -0.705 61.285 62.100 -0.183 0.000 1.024 144 T CB 0.856 69.662 68.868 -0.104 0.000 1.320 144 T HN 0.024 nan 8.240 nan 0.000 0.555 145 H N -1.049 117.997 119.070 -0.040 0.000 2.529 145 H HA 0.466 5.022 4.556 -0.000 0.000 0.277 145 H C 0.224 175.547 175.328 -0.009 0.000 1.004 145 H CA -0.199 55.838 56.048 -0.018 0.000 1.167 145 H CB 0.057 29.820 29.762 0.000 0.000 1.445 145 H HN 0.256 nan 8.280 nan 0.000 0.554 146 V N 3.595 123.531 119.914 0.037 0.000 2.493 146 V HA -0.001 4.119 4.120 -0.000 0.000 0.292 146 V C -1.800 174.305 176.094 0.018 0.000 1.016 146 V CA -1.270 61.039 62.300 0.015 0.000 1.097 146 V CB 0.317 32.089 31.823 -0.085 0.000 0.947 146 V HN 0.211 nan 8.190 nan 0.000 0.479 147 P HA 0.047 nan 4.420 nan 0.000 0.267 147 P C 0.038 177.433 177.300 0.159 0.000 1.200 147 P CA -0.233 62.934 63.100 0.112 0.000 0.772 147 P CB 0.313 32.094 31.700 0.134 0.000 0.855 148 N N 2.833 121.641 118.700 0.180 0.000 3.193 148 N HA 0.155 4.895 4.740 -0.000 0.000 0.312 148 N C -0.751 174.965 175.510 0.343 0.000 1.261 148 N CA 0.045 53.284 53.050 0.315 0.000 1.208 148 N CB -1.239 37.387 38.487 0.231 0.000 1.471 148 N HN 0.332 nan 8.380 nan 0.000 0.548 149 L N -1.524 119.928 121.223 0.383 0.000 2.710 149 L HA 0.753 5.092 4.340 -0.000 0.000 0.260 149 L C -1.551 175.454 176.870 0.226 0.000 0.993 149 L CA -1.191 53.750 54.840 0.167 0.000 0.877 149 L CB 1.341 43.429 42.059 0.049 0.000 1.461 149 L HN -0.020 nan 8.230 nan 0.000 0.413 150 F N -0.162 119.718 119.950 -0.116 0.000 2.643 150 F HA 0.958 5.484 4.527 -0.000 0.000 0.314 150 F C -0.780 174.943 175.800 -0.127 0.000 1.096 150 F CA -0.393 57.522 58.000 -0.142 0.000 0.953 150 F CB 1.604 40.444 39.000 -0.267 0.000 1.345 150 F HN 0.734 nan 8.300 nan 0.000 0.468 151 S N 1.259 116.948 115.700 -0.019 0.000 2.569 151 S HA 0.863 5.333 4.470 -0.000 0.000 0.280 151 S C -1.590 172.984 174.600 -0.043 0.000 1.111 151 S CA -0.866 57.214 58.200 -0.201 0.000 0.887 151 S CB 1.950 64.887 63.200 -0.439 0.000 1.095 151 S HN 0.857 nan 8.310 nan 0.000 0.476 152 L N 1.544 122.694 121.223 -0.123 0.000 2.381 152 L HA 0.555 4.895 4.340 -0.000 0.000 0.274 152 L C -0.478 176.403 176.870 0.019 0.000 0.988 152 L CA -0.368 54.466 54.840 -0.009 0.000 0.824 152 L CB 2.084 44.161 42.059 0.029 0.000 1.263 152 L HN 0.752 nan 8.230 nan 0.000 0.410 153 Q N 4.807 124.682 119.800 0.125 0.000 2.425 153 Q HA 0.478 4.818 4.340 -0.000 0.000 0.254 153 Q C -1.542 174.439 176.000 -0.032 0.000 1.032 153 Q CA -0.565 55.336 55.803 0.162 0.000 0.798 153 Q CB 1.193 30.079 28.738 0.247 0.000 1.210 153 Q HN 0.607 nan 8.270 nan 0.000 0.491 154 L N 3.521 124.664 121.223 -0.133 0.000 2.257 154 L HA 0.460 4.800 4.340 -0.000 0.000 0.290 154 L C -0.603 176.215 176.870 -0.088 0.000 1.044 154 L CA -0.807 53.813 54.840 -0.366 0.000 0.810 154 L CB 1.103 42.773 42.059 -0.648 0.000 1.193 154 L HN 0.612 nan 8.230 nan 0.000 0.425 155 c N 3.300 121.923 118.600 0.038 0.000 2.251 155 c HA 0.557 5.127 4.570 -0.000 0.000 0.323 155 c C 1.253 175.460 174.090 0.194 0.000 1.241 155 c CA -0.915 55.478 56.329 0.106 0.000 1.601 155 c CB 0.133 42.690 42.510 0.078 0.000 2.251 155 c HN 0.961 nan 8.230 nan 0.000 0.488 170 V N 0.863 120.737 119.914 -0.067 0.000 2.881 170 V HA 1.059 5.179 4.120 -0.000 0.000 0.316 170 V C 0.103 176.182 176.094 -0.025 0.000 1.070 170 V CA 0.244 62.515 62.300 -0.049 0.000 0.976 170 V CB 1.254 33.002 31.823 -0.125 0.000 1.038 170 V HN 0.584 nan 8.190 nan 0.000 0.446 171 G N -0.185 108.674 108.800 0.098 0.000 2.727 171 G HA2 0.947 4.907 3.960 -0.000 0.000 0.289 171 G HA3 0.947 4.907 3.960 -0.000 0.000 0.289 171 G C -0.411 174.600 174.900 0.185 0.000 1.418 171 G CA -0.305 44.854 45.100 0.099 0.000 0.818 171 G HN 1.801 nan 8.290 nan 0.000 0.486 172 G N -1.566 107.282 108.800 0.081 0.000 2.321 172 G HA2 0.565 4.525 3.960 -0.000 0.000 0.296 172 G HA3 0.565 4.525 3.960 -0.000 0.000 0.296 172 G C -1.414 173.488 174.900 0.003 0.000 1.287 172 G CA 0.090 45.203 45.100 0.022 0.000 0.846 172 G HN 1.243 nan 8.290 nan 0.000 0.508 173 S N -0.310 115.393 115.700 0.005 0.000 2.547 173 S HA 0.674 5.144 4.470 -0.000 0.000 0.281 173 S C -0.567 174.054 174.600 0.034 0.000 1.118 173 S CA -0.490 57.728 58.200 0.030 0.000 0.947 173 S CB 1.684 64.926 63.200 0.069 0.000 1.053 173 S HN 0.767 nan 8.310 nan 0.000 0.482 174 M N 4.712 124.326 119.600 0.024 0.000 2.043 174 M HA 0.474 4.954 4.480 -0.000 0.000 0.322 174 M C -1.667 174.653 176.300 0.033 0.000 0.962 174 M CA -0.696 54.619 55.300 0.025 0.000 0.927 174 M CB 0.210 32.794 32.600 -0.026 0.000 1.466 174 M HN 0.449 nan 8.290 nan 0.000 0.412 175 I N 6.475 127.069 120.570 0.040 0.000 2.301 175 I HA 0.263 4.432 4.170 -0.000 0.000 0.292 175 I C -0.008 176.071 176.117 -0.064 0.000 1.046 175 I CA -0.403 60.855 61.300 -0.071 0.000 1.282 175 I CB 0.228 38.163 38.000 -0.110 0.000 1.409 175 I HN 0.602 nan 8.210 nan 0.000 0.484 176 I N 5.300 125.830 120.570 -0.067 0.000 2.342 176 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 176 I C 1.279 177.368 176.117 -0.046 0.000 1.010 176 I CA 0.116 61.459 61.300 0.072 0.000 1.308 176 I CB 0.758 38.825 38.000 0.111 0.000 1.400 176 I HN 0.890 nan 8.210 nan 0.000 0.488 177 G N 4.389 113.247 108.800 0.096 0.000 2.157 177 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.248 177 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.248 177 G C 0.383 175.258 174.900 -0.040 0.000 0.979 177 G CA 0.033 45.171 45.100 0.063 0.000 0.650 177 G HN 1.223 nan 8.290 nan 0.000 0.529 178 G N -1.347 107.315 108.800 -0.231 0.000 2.428 178 G HA2 0.617 4.577 3.960 -0.000 0.000 0.305 178 G HA3 0.617 4.577 3.960 -0.000 0.000 0.305 178 G C -1.562 173.256 174.900 -0.136 0.000 1.260 178 G CA -0.320 44.682 45.100 -0.163 0.000 0.853 178 G HN 0.780 nan 8.290 nan 0.000 0.480 179 I N 0.587 121.205 120.570 0.080 0.000 2.608 179 I HA 0.386 4.556 4.170 -0.000 0.000 0.295 179 I C -1.462 174.741 176.117 0.143 0.000 1.049 179 I CA -0.695 60.700 61.300 0.159 0.000 1.063 179 I CB 2.484 40.584 38.000 0.166 0.000 1.248 179 I HN 0.362 nan 8.210 nan 0.000 0.424 180 D N 4.497 124.990 120.400 0.155 0.000 2.414 180 D HA 0.223 4.863 4.640 -0.000 0.000 0.232 180 D C 0.806 177.006 176.300 -0.167 0.000 1.070 180 D CA -0.263 53.745 54.000 0.014 0.000 0.839 180 D CB 0.846 41.715 40.800 0.114 0.000 1.079 180 D HN 0.471 nan 8.370 nan 0.000 0.521 181 H N 1.657 120.735 119.070 0.014 0.000 2.521 181 H HA -0.078 4.477 4.556 -0.000 0.000 0.286 181 H C 1.772 176.810 175.328 -0.483 0.000 1.034 181 H CA 1.007 56.877 56.048 -0.297 0.000 1.278 181 H CB 0.072 29.715 29.762 -0.198 0.000 1.386 181 H HN 0.388 nan 8.280 nan 0.000 0.567 182 S N 0.498 116.089 115.700 -0.181 0.000 2.555 182 S HA 0.011 4.481 4.470 -0.000 0.000 0.230 182 S C 1.813 176.288 174.600 -0.208 0.000 0.978 182 S CA 0.142 58.237 58.200 -0.174 0.000 0.934 182 S CB -0.438 62.709 63.200 -0.088 0.000 0.766 182 S HN 0.298 nan 8.310 nan 0.000 0.533 183 L N 0.390 121.430 121.223 -0.305 0.000 2.592 183 L HA 0.327 4.667 4.340 -0.000 0.000 0.227 183 L C 0.298 177.028 176.870 -0.233 0.000 1.127 183 L CA -0.195 54.450 54.840 -0.324 0.000 0.884 183 L CB -0.275 41.460 42.059 -0.540 0.000 1.065 183 L HN 0.600 nan 8.230 nan 0.000 0.457 184 Y N -2.450 117.692 120.300 -0.264 0.000 2.625 184 Y HA 0.659 5.209 4.550 -0.000 0.000 0.338 184 Y C -0.369 175.530 175.900 -0.001 0.000 1.123 184 Y CA -1.454 56.596 58.100 -0.082 0.000 1.046 184 Y CB 0.943 39.392 38.460 -0.018 0.000 1.299 184 Y HN -0.099 nan 8.280 nan 0.000 0.464 185 T N -0.865 113.804 114.554 0.192 0.000 2.924 185 T HA 0.788 5.138 4.350 -0.000 0.000 0.291 185 T C 0.455 175.308 174.700 0.255 0.000 1.045 185 T CA -0.243 61.924 62.100 0.112 0.000 1.015 185 T CB 1.096 70.012 68.868 0.081 0.000 1.103 185 T HN 2.257 nan 8.240 nan 0.000 0.496 186 G N 1.149 110.052 108.800 0.172 0.000 2.562 186 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.250 186 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.250 186 G C -0.001 175.058 174.900 0.265 0.000 1.269 186 G CA -0.033 45.182 45.100 0.193 0.000 0.919 186 G HN 1.550 nan 8.290 nan 0.000 0.574 187 S N -1.203 114.629 115.700 0.221 0.000 2.593 187 S HA 0.717 5.187 4.470 -0.000 0.000 0.297 187 S C 0.306 174.897 174.600 -0.015 0.000 1.112 187 S CA -0.587 57.668 58.200 0.091 0.000 1.043 187 S CB 0.956 64.120 63.200 -0.059 0.000 1.054 187 S HN 0.790 nan 8.310 nan 0.000 0.516 188 L N 3.218 124.290 121.223 -0.252 0.000 2.380 188 L HA 0.383 4.722 4.340 -0.000 0.000 0.273 188 L C -0.986 175.463 176.870 -0.702 0.000 1.138 188 L CA -0.247 54.302 54.840 -0.484 0.000 0.832 188 L CB 0.571 42.245 42.059 -0.642 0.000 1.124 188 L HN 0.688 nan 8.230 nan 0.000 0.454 189 W N 2.388 123.250 121.300 -0.730 0.000 2.656 189 W HA 0.467 5.126 4.660 -0.000 0.000 0.327 189 W C -0.829 175.074 176.519 -1.027 0.000 1.041 189 W CA -0.279 56.501 57.345 -0.941 0.000 1.229 189 W CB 1.113 29.748 29.460 -1.375 0.000 1.397 189 W HN 0.182 nan 8.180 nan 0.000 0.479 190 Y N 1.404 121.518 120.300 -0.310 0.000 2.409 190 Y HA 0.576 5.126 4.550 -0.000 0.000 0.339 190 Y C 0.488 176.538 175.900 0.249 0.000 1.033 190 Y CA -0.824 57.250 58.100 -0.044 0.000 1.094 190 Y CB 2.310 40.732 38.460 -0.064 0.000 1.210 190 Y HN 0.146 nan 8.280 nan 0.000 0.456 191 T N 4.768 119.631 114.554 0.515 0.000 2.841 191 T HA 0.483 4.833 4.350 -0.000 0.000 0.283 191 T C -2.930 171.946 174.700 0.294 0.000 1.000 191 T CA -2.587 59.796 62.100 0.472 0.000 0.977 191 T CB 1.042 70.199 68.868 0.482 0.000 0.979 191 T HN 0.227 nan 8.240 nan 0.000 0.446 192 P HA 0.275 nan 4.420 nan 0.000 0.271 192 P C -0.384 177.022 177.300 0.177 0.000 1.216 192 P CA -0.238 62.964 63.100 0.169 0.000 0.771 192 P CB 0.237 32.020 31.700 0.138 0.000 0.864 193 I N 3.736 124.411 120.570 0.175 0.000 2.494 193 I HA 0.045 4.215 4.170 -0.000 0.000 0.289 193 I C 2.061 178.278 176.117 0.167 0.000 1.106 193 I CA 0.145 61.570 61.300 0.209 0.000 1.369 193 I CB 0.279 38.429 38.000 0.250 0.000 1.410 193 I HN 0.452 nan 8.210 nan 0.000 0.523 194 R N 5.618 126.231 120.500 0.187 0.000 2.070 194 R HA 0.003 4.343 4.340 -0.000 0.000 0.233 194 R C 0.871 177.247 176.300 0.127 0.000 1.137 194 R CA 1.374 57.568 56.100 0.157 0.000 0.945 194 R CB 0.288 30.700 30.300 0.186 0.000 0.845 194 R HN 0.552 nan 8.270 nan 0.000 0.430 195 R N 0.313 120.929 120.500 0.193 0.000 2.651 195 R HA 0.134 4.474 4.340 -0.000 0.000 0.278 195 R C -1.439 174.968 176.300 0.179 0.000 1.010 195 R CA -0.436 55.727 56.100 0.105 0.000 0.896 195 R CB 1.860 32.137 30.300 -0.038 0.000 1.211 195 R HN 0.134 nan 8.270 nan 0.000 0.456 196 E N 4.333 124.462 120.200 -0.118 0.000 1.856 196 E HA 0.071 4.420 4.350 -0.000 0.000 0.263 196 E C -0.026 176.455 176.600 -0.198 0.000 1.137 196 E CA -0.006 56.031 56.400 -0.604 0.000 1.007 196 E CB 0.255 29.298 29.700 -1.094 0.000 1.117 196 E HN 0.468 nan 8.360 nan 0.000 0.438 197 W N 1.622 122.833 121.300 -0.149 0.000 4.565 197 W HA 0.175 4.835 4.660 -0.000 0.000 0.169 197 W C -0.250 176.268 176.519 -0.002 0.000 3.393 197 W CA -0.294 57.042 57.345 -0.014 0.000 1.387 197 W CB -0.576 28.875 29.460 -0.016 0.000 1.999 197 W HN 0.054 nan 8.180 nan 0.000 0.487 198 Y N 0.822 120.824 120.300 -0.496 0.000 2.260 198 Y HA 0.249 4.799 4.550 -0.000 0.000 0.339 198 Y C 0.024 175.830 175.900 -0.156 0.000 1.317 198 Y CA -0.179 57.682 58.100 -0.399 0.000 1.514 198 Y CB 0.038 38.127 38.460 -0.618 0.000 1.382 198 Y HN -0.162 nan 8.280 nan 0.000 0.581 199 Y N 0.941 121.436 120.300 0.323 0.000 2.568 199 Y HA 0.092 4.642 4.550 -0.000 0.000 0.338 199 Y C 0.378 176.422 175.900 0.240 0.000 1.245 199 Y CA -0.246 58.060 58.100 0.343 0.000 1.667 199 Y CB -0.301 38.397 38.460 0.396 0.000 1.568 199 Y HN 0.413 nan 8.280 nan 0.000 0.471 200 E N 3.094 123.495 120.200 0.335 0.000 2.227 200 E HA 0.472 4.822 4.350 -0.000 0.000 0.282 200 E C -0.767 175.989 176.600 0.260 0.000 1.015 200 E CA -0.595 55.970 56.400 0.274 0.000 0.823 200 E CB 0.902 30.840 29.700 0.397 0.000 1.081 200 E HN 0.437 nan 8.360 nan 0.000 0.396 201 V N 1.561 121.598 119.914 0.204 0.000 3.164 201 V HA 0.650 4.769 4.120 -0.000 0.000 0.313 201 V C -0.547 175.628 176.094 0.135 0.000 1.188 201 V CA -0.986 61.418 62.300 0.172 0.000 1.058 201 V CB 1.613 33.534 31.823 0.164 0.000 1.110 201 V HN 0.625 nan 8.190 nan 0.000 0.453 202 I N 1.420 122.050 120.570 0.100 0.000 2.418 202 I HA 0.489 4.658 4.170 -0.000 0.000 0.287 202 I C -0.692 175.435 176.117 0.017 0.000 1.008 202 I CA -0.384 60.965 61.300 0.082 0.000 1.104 202 I CB 1.753 39.811 38.000 0.095 0.000 1.264 202 I HN 0.501 nan 8.210 nan 0.000 0.438 203 I N 6.659 127.239 120.570 0.017 0.000 2.395 203 I HA 0.112 4.282 4.170 -0.000 0.000 0.289 203 I C 1.136 177.263 176.117 0.017 0.000 1.023 203 I CA -0.170 61.097 61.300 -0.056 0.000 1.350 203 I CB 1.471 39.408 38.000 -0.105 0.000 1.409 203 I HN 0.502 nan 8.210 nan 0.000 0.507 204 V N 2.655 122.546 119.914 -0.040 0.000 3.645 204 V HA 0.427 4.546 4.120 -0.000 0.000 0.275 204 V C 0.511 176.598 176.094 -0.011 0.000 1.356 204 V CA 0.023 62.334 62.300 0.019 0.000 1.051 204 V CB -0.036 31.782 31.823 -0.010 0.000 0.828 204 V HN 0.863 nan 8.190 nan 0.000 0.441 205 R N -0.383 120.013 120.500 -0.173 0.000 2.644 205 R HA 0.645 4.985 4.340 -0.000 0.000 0.257 205 R C -2.487 173.585 176.300 -0.380 0.000 1.082 205 R CA -0.347 55.580 56.100 -0.288 0.000 0.927 205 R CB 2.547 32.520 30.300 -0.545 0.000 1.258 205 R HN 0.060 nan 8.270 nan 0.000 0.459 206 V N 2.850 122.498 119.914 -0.443 0.000 2.577 206 V HA 0.451 4.570 4.120 -0.000 0.000 0.303 206 V C -0.760 175.264 176.094 -0.118 0.000 1.042 206 V CA -0.724 61.377 62.300 -0.330 0.000 0.872 206 V CB 1.912 33.408 31.823 -0.544 0.000 0.998 206 V HN 0.750 nan 8.190 nan 0.000 0.423 207 E N 4.457 124.634 120.200 -0.038 0.000 2.199 207 E HA 0.533 4.883 4.350 -0.000 0.000 0.265 207 E C -1.270 175.327 176.600 -0.006 0.000 0.882 207 E CA -0.739 55.659 56.400 -0.004 0.000 0.759 207 E CB 2.233 31.967 29.700 0.057 0.000 1.148 207 E HN 0.420 nan 8.360 nan 0.000 0.412 208 I N 3.338 123.908 120.570 0.000 0.000 2.307 208 I HA 0.141 4.311 4.170 -0.000 0.000 0.289 208 I C 0.403 176.540 176.117 0.034 0.000 1.021 208 I CA -0.367 60.944 61.300 0.018 0.000 1.224 208 I CB 0.321 38.325 38.000 0.008 0.000 1.376 208 I HN 0.718 nan 8.210 nan 0.000 0.470 209 N N 4.874 123.609 118.700 0.058 0.000 2.747 209 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 209 N C 0.960 176.495 175.510 0.041 0.000 1.107 209 N CA 1.227 54.313 53.050 0.061 0.000 0.707 209 N CB -0.639 37.886 38.487 0.062 0.000 1.054 209 N HN 1.118 nan 8.380 nan 0.000 0.555 210 G N -1.517 107.303 108.800 0.034 0.000 2.143 210 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.249 210 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.249 210 G C -0.240 174.669 174.900 0.016 0.000 0.981 210 G CA 0.504 45.622 45.100 0.030 0.000 0.665 210 G HN 0.563 nan 8.290 nan 0.000 0.528 211 Q N 0.243 120.048 119.800 0.009 0.000 2.333 211 Q HA 0.446 4.786 4.340 -0.000 0.000 0.268 211 Q C -0.663 175.327 176.000 -0.016 0.000 1.007 211 Q CA -0.886 54.914 55.803 -0.006 0.000 0.810 211 Q CB 1.676 30.411 28.738 -0.005 0.000 1.264 211 Q HN 0.282 nan 8.270 nan 0.000 0.452 212 D N 1.512 121.893 120.400 -0.032 0.000 2.382 212 D HA -0.003 4.637 4.640 -0.000 0.000 0.240 212 D C 0.274 176.568 176.300 -0.009 0.000 1.146 212 D CA 0.015 53.991 54.000 -0.039 0.000 0.897 212 D CB 1.051 41.811 40.800 -0.066 0.000 1.197 212 D HN 0.354 nan 8.370 nan 0.000 0.432 213 L N 2.304 123.545 121.223 0.030 0.000 2.529 213 L HA 0.172 4.512 4.340 -0.000 0.000 0.223 213 L C 1.271 178.161 176.870 0.032 0.000 1.113 213 L CA 0.481 55.353 54.840 0.054 0.000 0.861 213 L CB -0.623 41.522 42.059 0.144 0.000 1.012 213 L HN 0.595 nan 8.230 nan 0.000 0.461 214 K N 0.005 120.420 120.400 0.025 0.000 3.035 214 K HA -0.219 4.100 4.320 -0.000 0.000 0.262 214 K C -0.136 176.437 176.600 -0.044 0.000 1.024 214 K CA 0.678 56.957 56.287 -0.014 0.000 0.748 214 K CB -1.372 31.111 32.500 -0.028 0.000 1.247 214 K HN 0.338 nan 8.250 nan 0.000 0.482 215 M N 0.264 119.826 119.600 -0.063 0.000 2.478 215 M HA 0.157 4.637 4.480 -0.000 0.000 0.327 215 M C 0.375 176.515 176.300 -0.268 0.000 1.187 215 M CA -0.780 54.399 55.300 -0.201 0.000 1.022 215 M CB 0.898 33.295 32.600 -0.337 0.000 1.629 215 M HN -0.062 nan 8.290 nan 0.000 0.461 216 D N 1.647 121.899 120.400 -0.248 0.000 2.451 216 D HA -0.023 4.616 4.640 -0.000 0.000 0.254 216 D C 1.116 177.206 176.300 -0.350 0.000 1.204 216 D CA -0.126 53.742 54.000 -0.220 0.000 0.896 216 D CB 0.813 41.510 40.800 -0.172 0.000 1.136 216 D HN 0.814 nan 8.370 nan 0.000 0.499 217 c N 3.598 122.060 118.600 -0.229 0.000 2.419 217 c HA -0.009 4.561 4.570 -0.000 0.000 0.283 217 c C 2.294 176.346 174.090 -0.063 0.000 1.373 217 c CA 0.012 56.254 56.329 -0.146 0.000 1.781 217 c CB -0.725 41.866 42.510 0.135 0.000 1.886 217 c HN 0.696 nan 8.230 nan 0.000 0.520 218 K N 1.828 122.191 120.400 -0.062 0.000 2.218 218 K HA -0.237 4.083 4.320 -0.000 0.000 0.205 218 K C 2.357 178.944 176.600 -0.023 0.000 1.046 218 K CA 2.101 58.390 56.287 0.004 0.000 0.933 218 K CB -0.229 32.271 32.500 0.000 0.000 0.728 218 K HN 0.888 nan 8.250 nan 0.000 0.454 219 E N -1.039 119.069 120.200 -0.153 0.000 2.385 219 E HA -0.142 4.207 4.350 -0.000 0.000 0.194 219 E C 1.225 177.823 176.600 -0.003 0.000 1.013 219 E CA 0.357 56.679 56.400 -0.130 0.000 0.866 219 E CB -0.261 29.298 29.700 -0.234 0.000 0.832 219 E HN 0.482 nan 8.360 nan 0.000 0.500 220 Y N 1.543 121.866 120.300 0.039 0.000 2.403 220 Y HA -0.047 4.502 4.550 -0.000 0.000 0.291 220 Y C 1.169 177.103 175.900 0.057 0.000 1.143 220 Y CA 0.615 58.737 58.100 0.037 0.000 1.257 220 Y CB 0.201 38.667 38.460 0.009 0.000 0.984 220 Y HN 0.146 nan 8.280 nan 0.000 0.550 221 N N -0.950 117.884 118.700 0.222 0.000 2.416 221 N HA -0.041 4.699 4.740 -0.000 0.000 0.267 221 N C -0.870 174.760 175.510 0.201 0.000 1.294 221 N CA -0.164 53.001 53.050 0.191 0.000 0.891 221 N CB 0.115 38.720 38.487 0.197 0.000 1.238 221 N HN 0.146 nan 8.380 nan 0.000 0.508 222 Y N 3.184 123.474 120.300 -0.018 0.000 2.650 222 Y HA 0.033 4.582 4.550 -0.000 0.000 0.342 222 Y C 1.102 176.930 175.900 -0.120 0.000 1.110 222 Y CA 0.317 58.314 58.100 -0.171 0.000 1.438 222 Y CB -0.228 38.114 38.460 -0.197 0.000 1.181 222 Y HN 0.234 nan 8.280 nan 0.000 0.526 223 D N 2.430 122.800 120.400 -0.052 0.000 3.955 223 D HA -0.226 4.414 4.640 -0.000 0.000 0.201 223 D C -0.804 175.648 176.300 0.253 0.000 1.010 223 D CA 2.261 56.307 54.000 0.077 0.000 2.311 223 D CB -1.142 39.541 40.800 -0.195 0.000 1.173 223 D HN 0.779 nan 8.370 nan 0.000 0.455 224 K N -0.896 119.576 120.400 0.120 0.000 2.711 224 K HA 0.669 4.989 4.320 -0.000 0.000 0.294 224 K C -1.688 174.943 176.600 0.053 0.000 1.037 224 K CA -0.732 55.637 56.287 0.137 0.000 0.858 224 K CB 1.325 33.900 32.500 0.126 0.000 1.521 224 K HN 0.087 nan 8.250 nan 0.000 0.386 225 S N 0.944 116.686 115.700 0.071 0.000 2.532 225 S HA 0.688 5.158 4.470 -0.000 0.000 0.299 225 S C -0.586 174.038 174.600 0.041 0.000 1.105 225 S CA -0.829 57.397 58.200 0.043 0.000 1.018 225 S CB 0.645 63.888 63.200 0.071 0.000 1.021 225 S HN 0.592 nan 8.310 nan 0.000 0.483 226 I N -0.919 119.659 120.570 0.014 0.000 2.969 226 I HA 0.809 4.979 4.170 -0.000 0.000 0.307 226 I C -1.329 174.866 176.117 0.130 0.000 1.149 226 I CA -1.337 59.997 61.300 0.058 0.000 1.008 226 I CB 1.931 39.877 38.000 -0.090 0.000 1.232 226 I HN 0.281 nan 8.210 nan 0.000 0.435 227 V N 2.525 122.580 119.914 0.235 0.000 2.347 227 V HA 0.448 4.567 4.120 -0.000 0.000 0.280 227 V C -0.970 175.306 176.094 0.304 0.000 1.021 227 V CA 0.011 62.466 62.300 0.259 0.000 0.847 227 V CB 0.799 32.767 31.823 0.242 0.000 0.990 227 V HN 0.764 nan 8.190 nan 0.000 0.444 228 D N 3.005 123.534 120.400 0.214 0.000 2.542 228 D HA 0.276 4.915 4.640 -0.000 0.000 0.252 228 D C 0.993 177.374 176.300 0.135 0.000 1.222 228 D CA -0.112 53.996 54.000 0.179 0.000 0.895 228 D CB 2.203 43.086 40.800 0.138 0.000 1.207 228 D HN 0.464 nan 8.370 nan 0.000 0.558 229 S N 1.526 117.289 115.700 0.104 0.000 2.522 229 S HA 0.056 4.526 4.470 -0.000 0.000 0.227 229 S C 1.809 176.451 174.600 0.070 0.000 0.986 229 S CA 0.546 58.787 58.200 0.069 0.000 0.929 229 S CB 0.140 63.339 63.200 -0.001 0.000 0.769 229 S HN 0.420 nan 8.310 nan 0.000 0.529 230 G N 0.640 109.473 108.800 0.056 0.000 2.813 230 G HA2 0.207 4.166 3.960 -0.000 0.000 0.209 230 G HA3 0.207 4.166 3.960 -0.000 0.000 0.209 230 G C 0.264 175.191 174.900 0.046 0.000 1.150 230 G CA 0.162 45.280 45.100 0.030 0.000 0.785 230 G HN 0.495 nan 8.290 nan 0.000 0.535 231 T N 0.357 114.952 114.554 0.068 0.000 2.795 231 T HA 0.366 4.716 4.350 -0.000 0.000 0.282 231 T C 1.315 176.060 174.700 0.075 0.000 0.980 231 T CA -0.318 61.818 62.100 0.060 0.000 1.012 231 T CB 1.885 70.785 68.868 0.055 0.000 0.936 231 T HN -0.053 nan 8.240 nan 0.000 0.457 232 T N 2.972 117.565 114.554 0.065 0.000 2.857 232 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 232 T C 1.052 175.792 174.700 0.067 0.000 1.048 232 T CA 0.880 63.026 62.100 0.076 0.000 1.139 232 T CB -0.010 68.894 68.868 0.061 0.000 0.874 232 T HN 0.467 nan 8.240 nan 0.000 0.455 233 N N 1.418 120.143 118.700 0.042 0.000 2.495 233 N HA 0.263 5.003 4.740 -0.000 0.000 0.280 233 N C -0.762 174.762 175.510 0.024 0.000 1.168 233 N CA -0.438 52.624 53.050 0.020 0.000 0.978 233 N CB 1.085 39.565 38.487 -0.011 0.000 1.191 233 N HN 0.184 nan 8.380 nan 0.000 0.497 234 L N 1.934 123.164 121.223 0.011 0.000 2.369 234 L HA 0.204 4.544 4.340 -0.000 0.000 0.279 234 L C -0.136 176.728 176.870 -0.010 0.000 1.108 234 L CA -0.011 54.836 54.840 0.012 0.000 0.852 234 L CB 0.029 42.094 42.059 0.010 0.000 1.169 234 L HN 0.332 nan 8.230 nan 0.000 0.452 235 R N 5.866 126.364 120.500 -0.003 0.000 2.445 235 R HA 0.662 5.002 4.340 -0.000 0.000 0.308 235 R C -1.218 175.089 176.300 0.011 0.000 0.961 235 R CA -0.701 55.387 56.100 -0.021 0.000 0.862 235 R CB 1.992 32.269 30.300 -0.040 0.000 1.144 235 R HN 0.589 nan 8.270 nan 0.000 0.447 236 L N 3.764 125.010 121.223 0.039 0.000 2.362 236 L HA 0.524 4.864 4.340 -0.000 0.000 0.271 236 L C -2.332 174.602 176.870 0.108 0.000 1.002 236 L CA -2.727 52.181 54.840 0.112 0.000 0.818 236 L CB 2.216 44.407 42.059 0.220 0.000 1.298 236 L HN 0.284 nan 8.230 nan 0.000 0.420 237 P HA -0.019 nan 4.420 nan 0.000 0.266 237 P C 0.260 177.656 177.300 0.160 0.000 1.193 237 P CA -0.133 63.022 63.100 0.092 0.000 0.770 237 P CB 0.767 32.544 31.700 0.130 0.000 0.836 238 K N 3.498 123.975 120.400 0.128 0.000 2.015 238 K HA -0.278 4.042 4.320 -0.000 0.000 0.220 238 K C 1.568 178.296 176.600 0.213 0.000 1.055 238 K CA 2.234 58.627 56.287 0.176 0.000 0.951 238 K CB -0.299 32.277 32.500 0.126 0.000 0.725 238 K HN 0.226 nan 8.250 nan 0.000 0.449 239 K N -0.219 120.277 120.400 0.160 0.000 2.063 239 K HA -0.119 4.200 4.320 -0.000 0.000 0.208 239 K C 2.029 178.680 176.600 0.085 0.000 1.048 239 K CA 1.662 58.006 56.287 0.095 0.000 0.928 239 K CB -0.075 32.446 32.500 0.037 0.000 0.713 239 K HN 0.040 nan 8.250 nan 0.000 0.442 240 V N 0.934 120.923 119.914 0.125 0.000 2.307 240 V HA -0.223 3.896 4.120 -0.000 0.000 0.245 240 V C 1.959 178.152 176.094 0.164 0.000 1.045 240 V CA 1.602 63.989 62.300 0.146 0.000 1.024 240 V CB -0.569 31.391 31.823 0.228 0.000 0.651 240 V HN 0.228 nan 8.190 nan 0.000 0.449 241 F N 1.425 121.418 119.950 0.071 0.000 2.095 241 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 241 F C 2.452 178.285 175.800 0.056 0.000 1.104 241 F CA 2.314 60.356 58.000 0.070 0.000 1.232 241 F CB -0.386 38.657 39.000 0.073 0.000 0.987 241 F HN 0.224 nan 8.300 nan 0.000 0.475 242 E N 0.054 120.233 120.200 -0.035 0.000 2.086 242 E HA -0.289 4.060 4.350 -0.000 0.000 0.200 242 E C 2.189 178.670 176.600 -0.199 0.000 1.012 242 E CA 1.481 57.793 56.400 -0.146 0.000 0.812 242 E CB -0.412 29.291 29.700 0.005 0.000 0.743 242 E HN 0.508 nan 8.360 nan 0.000 0.453 243 A N 0.449 123.204 122.820 -0.107 0.000 2.021 243 A HA 0.144 4.464 4.320 -0.000 0.000 0.216 243 A C 2.228 179.745 177.584 -0.111 0.000 1.163 243 A CA 1.189 53.169 52.037 -0.094 0.000 0.676 243 A CB -0.357 18.619 19.000 -0.040 0.000 0.818 243 A HN 0.386 nan 8.150 nan 0.000 0.453 244 A N -0.192 122.565 122.820 -0.106 0.000 1.845 244 A HA -0.030 4.289 4.320 -0.000 0.000 0.215 244 A C 2.186 179.658 177.584 -0.187 0.000 1.195 244 A CA 1.812 53.793 52.037 -0.094 0.000 0.616 244 A CB -1.157 17.831 19.000 -0.019 0.000 0.832 244 A HN 0.363 nan 8.150 nan 0.000 0.443 245 V N 0.064 119.759 119.914 -0.365 0.000 2.252 245 V HA -0.342 3.777 4.120 -0.000 0.000 0.249 245 V C 3.096 178.912 176.094 -0.463 0.000 1.056 245 V CA 2.311 64.326 62.300 -0.476 0.000 1.022 245 V CB -1.343 30.046 31.823 -0.723 0.000 0.641 245 V HN 0.657 nan 8.190 nan 0.000 0.445 246 A N -1.059 121.544 122.820 -0.361 0.000 1.917 246 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 246 A C 2.549 179.994 177.584 -0.233 0.000 1.182 246 A CA 2.604 54.470 52.037 -0.285 0.000 0.633 246 A CB -0.811 18.071 19.000 -0.197 0.000 0.819 246 A HN 0.511 nan 8.150 nan 0.000 0.448 247 S N -0.753 114.840 115.700 -0.179 0.000 2.371 247 S HA -0.054 4.416 4.470 -0.000 0.000 0.224 247 S C 1.873 176.403 174.600 -0.117 0.000 1.029 247 S CA 1.166 59.293 58.200 -0.121 0.000 0.978 247 S CB -0.498 62.658 63.200 -0.074 0.000 0.833 247 S HN 0.480 nan 8.310 nan 0.000 0.466 248 I N 1.181 121.671 120.570 -0.133 0.000 2.226 248 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 248 I C 2.603 178.612 176.117 -0.180 0.000 1.100 248 I CA 1.160 62.421 61.300 -0.064 0.000 1.374 248 I CB -0.289 37.730 38.000 0.031 0.000 1.057 248 I HN 0.241 nan 8.210 nan 0.000 0.413 249 K N 0.936 121.062 120.400 -0.456 0.000 2.044 249 K HA -0.202 4.118 4.320 -0.000 0.000 0.210 249 K C 2.143 178.593 176.600 -0.250 0.000 1.049 249 K CA 1.800 57.762 56.287 -0.542 0.000 0.927 249 K CB -0.184 31.920 32.500 -0.661 0.000 0.713 249 K HN 0.352 nan 8.250 nan 0.000 0.443 250 A N 0.152 122.855 122.820 -0.195 0.000 2.067 250 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 250 A C 2.043 179.571 177.584 -0.093 0.000 1.156 250 A CA 1.238 53.198 52.037 -0.128 0.000 0.683 250 A CB -0.237 18.697 19.000 -0.111 0.000 0.808 250 A HN 0.378 nan 8.150 nan 0.000 0.455 251 A N 0.162 122.936 122.820 -0.076 0.000 2.067 251 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 251 A C 1.876 179.427 177.584 -0.054 0.000 1.156 251 A CA 1.568 53.584 52.037 -0.036 0.000 0.683 251 A CB -0.398 18.611 19.000 0.014 0.000 0.808 251 A HN 0.938 nan 8.150 nan 0.000 0.455 252 S N -0.318 115.331 115.700 -0.085 0.000 2.624 252 S HA 0.156 4.626 4.470 -0.000 0.000 0.246 252 S C 0.665 175.144 174.600 -0.202 0.000 1.072 252 S CA 0.366 58.461 58.200 -0.175 0.000 1.045 252 S CB -0.500 62.576 63.200 -0.208 0.000 0.851 252 S HN 0.632 nan 8.310 nan 0.000 0.480 253 S N 0.543 116.150 115.700 -0.155 0.000 2.967 253 S HA 0.066 4.535 4.470 -0.000 0.000 0.254 253 S C 0.855 175.353 174.600 -0.170 0.000 1.089 253 S CA -0.017 58.089 58.200 -0.156 0.000 1.183 253 S CB -0.990 62.142 63.200 -0.112 0.000 0.848 253 S HN 0.498 nan 8.310 nan 0.000 0.477 254 T N -0.036 114.388 114.554 -0.216 0.000 3.037 254 T HA 0.284 4.633 4.350 -0.000 0.000 0.252 254 T C 0.418 174.984 174.700 -0.224 0.000 1.073 254 T CA 0.153 62.140 62.100 -0.189 0.000 1.091 254 T CB 0.257 69.020 68.868 -0.174 0.000 0.935 254 T HN 0.560 nan 8.240 nan 0.000 0.488 258 P HA 0.101 nan 4.420 nan 0.000 0.268 258 P C -0.078 177.363 177.300 0.235 0.000 1.208 258 P CA 0.019 63.202 63.100 0.137 0.000 0.777 258 P CB 0.806 32.527 31.700 0.036 0.000 0.875 259 D N 0.863 121.407 120.400 0.240 0.000 2.149 259 D HA -0.065 4.575 4.640 -0.000 0.000 0.201 259 D C 2.076 178.548 176.300 0.285 0.000 0.972 259 D CA 1.578 55.768 54.000 0.316 0.000 0.835 259 D CB -0.660 40.267 40.800 0.212 0.000 0.966 259 D HN 0.570 nan 8.370 nan 0.000 0.476 260 G N 0.185 109.097 108.800 0.186 0.000 2.443 260 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 260 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 260 G C 1.394 176.380 174.900 0.144 0.000 1.131 260 G CA 0.136 45.328 45.100 0.154 0.000 0.775 260 G HN 0.239 nan 8.290 nan 0.000 0.547 261 F N 0.748 120.652 119.950 -0.077 0.000 2.126 261 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 261 F C 2.097 177.793 175.800 -0.174 0.000 1.096 261 F CA 1.218 59.081 58.000 -0.227 0.000 1.255 261 F CB -0.370 38.331 39.000 -0.498 0.000 0.997 261 F HN 0.259 nan 8.300 nan 0.000 0.479 262 W N 0.309 121.487 121.300 -0.204 0.000 2.519 262 W HA 0.036 4.695 4.660 -0.000 0.000 0.266 262 W C 1.583 178.175 176.519 0.122 0.000 1.253 262 W CA 0.393 57.559 57.345 -0.298 0.000 1.274 262 W CB -0.395 28.959 29.460 -0.176 0.000 1.114 262 W HN -0.016 nan 8.180 nan 0.000 0.596 263 L N 0.249 121.655 121.223 0.306 0.000 2.628 263 L HA 0.391 4.730 4.340 -0.000 0.000 0.229 263 L C 1.660 178.622 176.870 0.153 0.000 1.137 263 L CA 0.419 55.429 54.840 0.285 0.000 0.909 263 L CB -0.641 41.558 42.059 0.233 0.000 1.137 263 L HN 0.137 nan 8.230 nan 0.000 0.470 264 G N 0.641 109.512 108.800 0.119 0.000 2.198 264 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 264 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 264 G C 0.634 175.579 174.900 0.075 0.000 1.025 264 G CA 0.558 45.709 45.100 0.084 0.000 0.769 264 G HN 0.510 nan 8.290 nan 0.000 0.507 265 E N -0.605 119.645 120.200 0.084 0.000 2.400 265 E HA 0.107 4.456 4.350 -0.000 0.000 0.195 265 E C 1.358 177.997 176.600 0.066 0.000 1.012 265 E CA 1.105 57.549 56.400 0.074 0.000 0.875 265 E CB 0.132 29.881 29.700 0.082 0.000 0.859 265 E HN 0.897 nan 8.360 nan 0.000 0.498 266 Q N -0.559 119.291 119.800 0.083 0.000 2.648 266 Q HA 0.450 4.790 4.340 -0.000 0.000 0.300 266 Q C -0.952 175.108 176.000 0.100 0.000 0.954 266 Q CA -0.783 55.059 55.803 0.064 0.000 0.757 266 Q CB 1.198 29.956 28.738 0.034 0.000 1.482 266 Q HN -0.071 nan 8.270 nan 0.000 0.437 267 L N 0.529 121.770 121.223 0.031 0.000 2.358 267 L HA 0.742 5.082 4.340 -0.000 0.000 0.268 267 L C -0.584 176.178 176.870 -0.179 0.000 1.032 267 L CA -1.291 53.554 54.840 0.008 0.000 0.805 267 L CB 1.892 43.935 42.059 -0.026 0.000 1.253 267 L HN 0.418 nan 8.230 nan 0.000 0.452 268 V N 0.198 119.899 119.914 -0.355 0.000 2.604 268 V HA 0.430 4.550 4.120 -0.000 0.000 0.305 268 V C -0.654 174.958 176.094 -0.804 0.000 1.043 268 V CA -0.505 61.313 62.300 -0.802 0.000 0.888 268 V CB 1.992 32.909 31.823 -1.511 0.000 0.995 268 V HN 0.830 nan 8.190 nan 0.000 0.429 269 c N 4.148 122.222 118.600 -0.876 0.000 2.563 269 c HA 0.738 5.308 4.570 -0.000 0.000 0.314 269 c C -0.718 172.935 174.090 -0.730 0.000 1.199 269 c CA -0.938 55.035 56.329 -0.593 0.000 1.564 269 c CB 1.361 43.687 42.510 -0.306 0.000 2.173 269 c HN 0.871 nan 8.230 nan 0.000 0.485 270 W N 0.667 121.939 121.300 -0.047 0.000 2.992 270 W HA 0.445 5.105 4.660 -0.000 0.000 0.342 270 W C -0.176 176.327 176.519 -0.027 0.000 1.176 270 W CA -0.532 56.783 57.345 -0.049 0.000 1.118 270 W CB 0.939 30.358 29.460 -0.069 0.000 1.457 270 W HN 0.612 nan 8.180 nan 0.000 0.573 271 Q N 1.072 121.005 119.800 0.221 0.000 2.394 271 Q HA 0.379 4.719 4.340 -0.000 0.000 0.248 271 Q C 0.120 176.184 176.000 0.107 0.000 0.992 271 Q CA 0.001 55.873 55.803 0.115 0.000 0.888 271 Q CB 1.248 30.034 28.738 0.080 0.000 1.257 271 Q HN 0.477 nan 8.270 nan 0.000 0.462 272 A N 1.915 124.776 122.820 0.068 0.000 2.561 272 A HA 0.324 4.643 4.320 -0.000 0.000 0.251 272 A C 1.046 178.658 177.584 0.046 0.000 1.062 272 A CA 0.839 52.910 52.037 0.057 0.000 0.761 272 A CB -0.950 18.072 19.000 0.037 0.000 0.986 272 A HN 1.186 nan 8.150 nan 0.000 0.510 273 G N 2.131 110.959 108.800 0.046 0.000 2.153 273 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.252 273 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.252 273 G C 0.649 175.534 174.900 -0.025 0.000 0.994 273 G CA 1.301 46.415 45.100 0.023 0.000 0.698 273 G HN 2.105 nan 8.290 nan 0.000 0.521 274 T N -2.631 111.892 114.554 -0.052 0.000 3.129 274 T HA 0.397 4.747 4.350 -0.000 0.000 0.267 274 T C 0.812 175.307 174.700 -0.341 0.000 1.018 274 T CA 0.749 62.779 62.100 -0.117 0.000 0.903 274 T CB 0.442 69.295 68.868 -0.025 0.000 1.067 274 T HN 0.371 nan 8.240 nan 0.000 0.549 275 T N 5.906 120.177 114.554 -0.470 0.000 2.793 275 T HA 0.247 4.597 4.350 -0.000 0.000 0.289 275 T C -2.447 171.607 174.700 -1.076 0.000 0.956 275 T CA -0.631 60.855 62.100 -1.023 0.000 1.177 275 T CB 0.532 68.716 68.868 -1.141 0.000 0.897 275 T HN 0.244 nan 8.240 nan 0.000 0.533 276 P HA 0.212 nan 4.420 nan 0.000 0.256 276 P C -0.145 176.981 177.300 -0.290 0.000 1.689 276 P CA -0.486 62.278 63.100 -0.561 0.000 1.124 276 P CB 0.097 31.549 31.700 -0.414 0.000 1.766 277 W N 1.957 123.198 121.300 -0.097 0.000 2.418 277 W HA -0.084 4.575 4.660 -0.000 0.000 0.292 277 W C 1.705 178.283 176.519 0.099 0.000 1.213 277 W CA 0.115 57.467 57.345 0.012 0.000 1.283 277 W CB -0.729 28.700 29.460 -0.052 0.000 1.119 277 W HN 0.209 nan 8.180 nan 0.000 0.542 278 N N 0.825 119.636 118.700 0.185 0.000 2.381 278 N HA -0.123 4.617 4.740 -0.000 0.000 0.182 278 N C 1.582 177.115 175.510 0.039 0.000 1.025 278 N CA 1.394 54.478 53.050 0.057 0.000 0.888 278 N CB -0.551 37.863 38.487 -0.122 0.000 0.965 278 N HN 0.263 nan 8.380 nan 0.000 0.438 279 I N -2.974 117.590 120.570 -0.009 0.000 3.176 279 I HA 0.094 4.263 4.170 -0.000 0.000 0.275 279 I C -0.524 175.468 176.117 -0.209 0.000 1.298 279 I CA 0.615 61.826 61.300 -0.148 0.000 1.445 279 I CB -0.271 37.571 38.000 -0.263 0.000 1.075 279 I HN -0.222 nan 8.210 nan 0.000 0.482 280 F N 3.001 123.059 119.950 0.181 0.000 2.450 280 F HA 0.619 5.145 4.527 -0.000 0.000 0.332 280 F C -2.135 173.823 175.800 0.264 0.000 1.093 280 F CA -2.765 55.414 58.000 0.299 0.000 1.003 280 F CB 0.973 40.216 39.000 0.405 0.000 1.151 280 F HN -0.157 nan 8.300 nan 0.000 0.474 281 P HA 0.246 nan 4.420 nan 0.000 0.279 281 P C -0.725 176.792 177.300 0.361 0.000 1.252 281 P CA -0.375 62.914 63.100 0.315 0.000 0.811 281 P CB 1.474 33.309 31.700 0.226 0.000 1.035 282 V N -0.162 119.893 119.914 0.235 0.000 3.003 282 V HA 0.402 4.522 4.120 -0.000 0.000 0.305 282 V C 0.104 176.300 176.094 0.170 0.000 1.078 282 V CA -0.270 62.156 62.300 0.209 0.000 1.083 282 V CB -0.037 31.863 31.823 0.127 0.000 1.039 282 V HN 0.290 nan 8.190 nan 0.000 0.481 283 I N 2.719 123.381 120.570 0.154 0.000 2.418 283 I HA 0.439 4.609 4.170 -0.000 0.000 0.287 283 I C -0.144 175.977 176.117 0.006 0.000 1.008 283 I CA -0.203 61.134 61.300 0.062 0.000 1.104 283 I CB 1.922 39.939 38.000 0.028 0.000 1.264 283 I HN 0.676 nan 8.210 nan 0.000 0.438 284 S N 7.007 122.676 115.700 -0.053 0.000 2.449 284 S HA 0.655 5.124 4.470 -0.000 0.000 0.310 284 S C -0.422 174.061 174.600 -0.196 0.000 1.096 284 S CA -0.587 57.519 58.200 -0.158 0.000 1.095 284 S CB 1.305 64.378 63.200 -0.211 0.000 1.007 284 S HN 0.346 nan 8.310 nan 0.000 0.474 285 L N 3.535 124.579 121.223 -0.300 0.000 2.313 285 L HA 0.519 4.859 4.340 -0.000 0.000 0.283 285 L C -1.258 175.332 176.870 -0.466 0.000 1.013 285 L CA -0.810 53.839 54.840 -0.318 0.000 0.816 285 L CB 0.726 42.594 42.059 -0.317 0.000 1.236 285 L HN 0.583 nan 8.230 nan 0.000 0.419 286 Y N 3.762 123.781 120.300 -0.469 0.000 2.326 286 Y HA 0.531 5.081 4.550 -0.000 0.000 0.337 286 Y C 0.034 175.623 175.900 -0.518 0.000 1.023 286 Y CA -0.397 57.394 58.100 -0.515 0.000 1.143 286 Y CB 1.112 39.314 38.460 -0.429 0.000 1.183 286 Y HN 0.346 nan 8.280 nan 0.000 0.485 287 L N 3.956 124.798 121.223 -0.635 0.000 2.334 287 L HA 0.501 4.841 4.340 -0.000 0.000 0.272 287 L C 0.137 176.784 176.870 -0.371 0.000 1.020 287 L CA -1.094 53.406 54.840 -0.567 0.000 0.812 287 L CB 1.532 43.076 42.059 -0.858 0.000 1.264 287 L HN 0.598 nan 8.230 nan 0.000 0.439 288 M N 1.299 120.832 119.600 -0.111 0.000 2.251 288 M HA 0.177 4.656 4.480 -0.000 0.000 0.343 288 M C 0.490 176.899 176.300 0.182 0.000 1.245 288 M CA 0.403 55.730 55.300 0.044 0.000 1.061 288 M CB 0.657 33.304 32.600 0.080 0.000 1.723 288 M HN 0.766 nan 8.290 nan 0.000 0.449 289 G N 3.112 112.070 108.800 0.263 0.000 2.532 289 G HA2 0.245 4.205 3.960 -0.000 0.000 0.291 289 G HA3 0.245 4.205 3.960 -0.000 0.000 0.291 289 G C -0.011 175.062 174.900 0.287 0.000 1.349 289 G CA -0.411 44.937 45.100 0.414 0.000 1.038 289 G HN 0.876 nan 8.290 nan 0.000 0.518 290 E N -1.646 118.712 120.200 0.264 0.000 2.435 290 E HA 0.078 4.428 4.350 -0.000 0.000 0.195 290 E C 0.019 176.693 176.600 0.124 0.000 1.029 290 E CA 0.215 56.714 56.400 0.165 0.000 0.865 290 E CB 0.519 30.291 29.700 0.120 0.000 0.833 290 E HN 0.035 nan 8.360 nan 0.000 0.510 291 V N 1.600 121.600 119.914 0.143 0.000 2.540 291 V HA 0.098 4.218 4.120 -0.000 0.000 0.302 291 V C 0.141 176.300 176.094 0.108 0.000 1.035 291 V CA -0.827 61.538 62.300 0.109 0.000 0.873 291 V CB 1.888 33.776 31.823 0.108 0.000 0.992 291 V HN 0.015 nan 8.190 nan 0.000 0.428 292 T N 5.462 120.065 114.554 0.082 0.000 2.777 292 T HA -0.051 4.298 4.350 -0.000 0.000 0.273 292 T C 1.000 175.747 174.700 0.078 0.000 1.016 292 T CA 1.014 63.157 62.100 0.072 0.000 1.156 292 T CB -0.399 68.501 68.868 0.054 0.000 1.019 292 T HN 0.876 nan 8.240 nan 0.000 0.503 293 N N 0.521 119.268 118.700 0.078 0.000 2.828 293 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 293 N C -0.115 175.459 175.510 0.106 0.000 1.044 293 N CA 1.056 54.153 53.050 0.078 0.000 0.851 293 N CB -0.515 38.010 38.487 0.063 0.000 1.136 293 N HN 0.776 nan 8.380 nan 0.000 0.572 294 Q N 1.041 120.922 119.800 0.135 0.000 2.331 294 Q HA 0.552 4.891 4.340 -0.000 0.000 0.267 294 Q C -0.434 175.704 176.000 0.230 0.000 1.006 294 Q CA -0.204 55.710 55.803 0.185 0.000 0.818 294 Q CB 1.628 30.485 28.738 0.199 0.000 1.276 294 Q HN 0.307 nan 8.270 nan 0.000 0.450 295 S N 3.094 118.952 115.700 0.263 0.000 2.745 295 S HA 0.896 5.366 4.470 -0.000 0.000 0.306 295 S C -0.574 174.246 174.600 0.366 0.000 1.137 295 S CA -0.633 57.720 58.200 0.256 0.000 0.900 295 S CB 1.335 64.624 63.200 0.148 0.000 1.176 295 S HN 0.568 nan 8.310 nan 0.000 0.520 296 F N -1.321 118.673 119.950 0.074 0.000 2.692 296 F HA 0.896 5.423 4.527 -0.000 0.000 0.320 296 F C -0.842 174.768 175.800 -0.316 0.000 1.123 296 F CA -1.366 56.561 58.000 -0.122 0.000 0.961 296 F CB 1.283 40.036 39.000 -0.411 0.000 1.383 296 F HN 0.940 nan 8.300 nan 0.000 0.483 297 R N 1.825 122.068 120.500 -0.428 0.000 2.686 297 R HA 0.818 5.158 4.340 -0.000 0.000 0.283 297 R C -1.565 174.429 176.300 -0.510 0.000 0.978 297 R CA -0.932 54.675 56.100 -0.823 0.000 0.897 297 R CB 2.323 31.691 30.300 -1.554 0.000 1.192 297 R HN 0.972 nan 8.270 nan 0.000 0.457 298 I N -0.609 119.611 120.570 -0.583 0.000 2.441 298 I HA 0.571 4.740 4.170 -0.000 0.000 0.295 298 I C -1.021 174.957 176.117 -0.232 0.000 0.994 298 I CA -0.735 60.279 61.300 -0.477 0.000 1.144 298 I CB 2.511 39.936 38.000 -0.958 0.000 1.314 298 I HN 0.556 nan 8.210 nan 0.000 0.445 299 T N 7.437 122.012 114.554 0.035 0.000 2.815 299 T HA 0.576 4.926 4.350 -0.000 0.000 0.289 299 T C -0.132 174.677 174.700 0.182 0.000 1.000 299 T CA -0.401 61.739 62.100 0.067 0.000 0.958 299 T CB 1.090 69.960 68.868 0.005 0.000 0.944 299 T HN 0.638 nan 8.240 nan 0.000 0.442 300 I N 1.106 121.769 120.570 0.154 0.000 2.822 300 I HA 0.763 4.932 4.170 -0.000 0.000 0.312 300 I C -0.838 175.341 176.117 0.104 0.000 1.011 300 I CA -1.272 60.085 61.300 0.094 0.000 1.105 300 I CB 1.086 39.169 38.000 0.138 0.000 1.291 300 I HN 0.406 nan 8.210 nan 0.000 0.474 301 L N 2.252 123.486 121.223 0.019 0.000 2.331 301 L HA 0.550 4.889 4.340 -0.000 0.000 0.268 301 L C -1.575 175.142 176.870 -0.255 0.000 1.015 301 L CA -1.718 53.097 54.840 -0.041 0.000 0.807 301 L CB 1.186 43.173 42.059 -0.120 0.000 1.293 301 L HN 0.421 nan 8.230 nan 0.000 0.451 302 P HA -0.173 nan 4.420 nan 0.000 0.219 302 P C 0.969 177.787 177.300 -0.803 0.000 1.146 302 P CA 1.102 63.578 63.100 -1.040 0.000 0.808 302 P CB 0.261 31.756 31.700 -0.342 0.000 0.779 303 Q N -0.070 119.201 119.800 -0.881 0.000 2.173 303 Q HA -0.219 4.121 4.340 -0.000 0.000 0.208 303 Q C 2.346 178.142 176.000 -0.339 0.000 0.989 303 Q CA 1.912 57.232 55.803 -0.805 0.000 0.872 303 Q CB -0.833 27.520 28.738 -0.642 0.000 0.909 303 Q HN 0.336 nan 8.270 nan 0.000 0.420 304 Q N -1.648 117.988 119.800 -0.273 0.000 2.089 304 Q HA -0.056 4.284 4.340 -0.000 0.000 0.195 304 Q C 1.491 177.482 176.000 -0.015 0.000 0.963 304 Q CA 1.301 57.049 55.803 -0.091 0.000 0.834 304 Q CB -0.089 28.632 28.738 -0.027 0.000 0.906 304 Q HN 0.725 nan 8.270 nan 0.000 0.452 305 Y N -1.657 118.632 120.300 -0.020 0.000 2.490 305 Y HA 0.394 4.944 4.550 -0.000 0.000 0.281 305 Y C -0.215 175.677 175.900 -0.014 0.000 1.174 305 Y CA -0.229 57.833 58.100 -0.064 0.000 1.295 305 Y CB -0.033 38.355 38.460 -0.120 0.000 1.062 305 Y HN -0.163 nan 8.280 nan 0.000 0.522 306 L N 3.344 124.544 121.223 -0.038 0.000 2.335 306 L HA 0.427 4.767 4.340 -0.000 0.000 0.268 306 L C -0.069 177.023 176.870 0.371 0.000 1.037 306 L CA -0.555 54.399 54.840 0.191 0.000 0.895 306 L CB 0.895 43.003 42.059 0.082 0.000 1.266 306 L HN 0.109 nan 8.230 nan 0.000 0.439 307 R N 4.169 124.865 120.500 0.325 0.000 2.234 307 R HA 0.398 4.738 4.340 -0.000 0.000 0.324 307 R C -2.465 174.001 176.300 0.277 0.000 1.054 307 R CA -1.463 54.801 56.100 0.273 0.000 0.912 307 R CB 1.020 31.411 30.300 0.151 0.000 1.030 307 R HN 0.147 nan 8.270 nan 0.000 0.455 308 P HA -0.028 nan 4.420 nan 0.000 0.268 308 P C -0.794 176.449 177.300 -0.094 0.000 1.205 308 P CA -0.170 62.810 63.100 -0.200 0.000 0.771 308 P CB 0.907 32.474 31.700 -0.220 0.000 0.858 319 c N 2.167 120.629 118.600 -0.229 0.000 2.355 319 c HA 0.719 5.289 4.570 -0.000 0.000 0.332 319 c C -0.527 173.412 174.090 -0.253 0.000 1.255 319 c CA -0.581 55.648 56.329 -0.167 0.000 1.792 319 c CB -0.373 42.057 42.510 -0.133 0.000 2.300 319 c HN 0.440 nan 8.230 nan 0.000 0.515 320 Y N 0.636 120.933 120.300 -0.004 0.000 2.512 320 Y HA 0.534 5.083 4.550 -0.000 0.000 0.348 320 Y C 0.077 176.066 175.900 0.149 0.000 0.990 320 Y CA -0.859 57.305 58.100 0.107 0.000 1.033 320 Y CB 1.232 39.818 38.460 0.211 0.000 1.259 320 Y HN 0.526 nan 8.280 nan 0.000 0.461 321 K N 2.269 122.865 120.400 0.327 0.000 2.185 321 K HA 0.372 4.692 4.320 -0.000 0.000 0.269 321 K C -1.155 175.644 176.600 0.332 0.000 0.987 321 K CA -0.702 55.758 56.287 0.289 0.000 0.865 321 K CB 0.681 33.278 32.500 0.162 0.000 1.090 321 K HN 0.597 nan 8.250 nan 0.000 0.450 322 F N 3.709 123.717 119.950 0.096 0.000 2.557 322 F HA 0.118 4.645 4.527 -0.000 0.000 0.384 322 F C 0.563 176.406 175.800 0.072 0.000 1.057 322 F CA 0.035 58.019 58.000 -0.026 0.000 1.169 322 F CB 0.586 39.247 39.000 -0.565 0.000 1.070 322 F HN 0.679 nan 8.300 nan 0.000 0.554 323 A N 7.435 130.092 122.820 -0.272 0.000 2.370 323 A HA 0.338 4.658 4.320 -0.000 0.000 0.238 323 A C 0.327 177.746 177.584 -0.274 0.000 1.289 323 A CA -0.133 51.807 52.037 -0.162 0.000 0.885 323 A CB -0.977 18.014 19.000 -0.016 0.000 0.961 323 A HN 0.619 nan 8.150 nan 0.000 0.499 324 I N 0.932 121.153 120.570 -0.581 0.000 2.404 324 I HA 0.446 4.616 4.170 -0.000 0.000 0.293 324 I C 0.074 176.189 176.117 -0.003 0.000 0.992 324 I CA -0.371 60.766 61.300 -0.272 0.000 1.149 324 I CB 2.198 40.019 38.000 -0.299 0.000 1.315 324 I HN 0.244 nan 8.210 nan 0.000 0.446 325 S N 4.397 120.035 115.700 -0.102 0.000 2.570 325 S HA 0.504 4.974 4.470 -0.000 0.000 0.270 325 S C -1.020 173.214 174.600 -0.610 0.000 1.149 325 S CA -1.088 56.861 58.200 -0.418 0.000 0.837 325 S CB 1.718 64.787 63.200 -0.220 0.000 1.124 325 S HN 0.611 nan 8.310 nan 0.000 0.465 326 Q N 1.025 120.245 119.800 -0.967 0.000 2.382 326 Q HA 0.708 5.048 4.340 -0.000 0.000 0.229 326 Q C -0.088 175.764 176.000 -0.246 0.000 1.006 326 Q CA -0.722 54.730 55.803 -0.585 0.000 0.916 326 Q CB 0.717 29.143 28.738 -0.520 0.000 1.235 326 Q HN 0.784 nan 8.270 nan 0.000 0.512 327 S N -0.772 114.851 115.700 -0.129 0.000 2.596 327 S HA 0.405 4.874 4.470 -0.000 0.000 0.270 327 S C -0.760 173.787 174.600 -0.088 0.000 1.155 327 S CA -0.549 57.594 58.200 -0.095 0.000 0.827 327 S CB 1.724 64.873 63.200 -0.085 0.000 1.130 327 S HN 0.552 nan 8.310 nan 0.000 0.467 328 S N 0.808 116.452 115.700 -0.093 0.000 2.603 328 S HA 0.145 4.615 4.470 -0.000 0.000 0.232 328 S C 0.908 175.418 174.600 -0.149 0.000 1.016 328 S CA 0.305 58.434 58.200 -0.120 0.000 0.976 328 S CB 0.482 63.641 63.200 -0.068 0.000 0.921 328 S HN 0.896 nan 8.310 nan 0.000 0.516 329 T N -0.421 114.056 114.554 -0.127 0.000 3.044 329 T HA 0.594 4.944 4.350 -0.000 0.000 0.260 329 T C 1.031 175.635 174.700 -0.159 0.000 1.019 329 T CA 0.213 62.234 62.100 -0.131 0.000 0.921 329 T CB 0.586 69.388 68.868 -0.109 0.000 1.053 329 T HN 0.626 nan 8.240 nan 0.000 0.533 330 G N 1.295 110.004 108.800 -0.152 0.000 2.428 330 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.202 330 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.202 330 G C -0.576 174.289 174.900 -0.058 0.000 1.247 330 G CA -0.613 44.422 45.100 -0.107 0.000 1.020 330 G HN 0.389 nan 8.290 nan 0.000 0.529 331 T N 0.422 114.966 114.554 -0.017 0.000 2.869 331 T HA 0.523 4.872 4.350 -0.000 0.000 0.295 331 T C 0.128 174.816 174.700 -0.020 0.000 0.987 331 T CA 0.035 62.138 62.100 0.004 0.000 1.109 331 T CB 1.497 70.388 68.868 0.038 0.000 0.932 331 T HN 1.114 nan 8.240 nan 0.000 0.518 332 V N 4.978 124.887 119.914 -0.009 0.000 2.407 332 V HA 0.331 4.451 4.120 -0.000 0.000 0.291 332 V C -0.071 176.045 176.094 0.035 0.000 1.018 332 V CA -0.735 61.567 62.300 0.002 0.000 0.842 332 V CB 1.382 33.199 31.823 -0.010 0.000 0.996 332 V HN 0.906 nan 8.190 nan 0.000 0.426 333 M N 4.651 124.290 119.600 0.065 0.000 2.435 333 M HA 0.426 4.906 4.480 -0.000 0.000 0.344 333 M C 0.916 177.289 176.300 0.121 0.000 1.329 333 M CA 0.085 55.442 55.300 0.095 0.000 1.320 333 M CB 0.656 33.328 32.600 0.120 0.000 1.309 333 M HN 0.784 nan 8.290 nan 0.000 0.451 334 G N 0.939 109.800 108.800 0.101 0.000 2.630 334 G HA2 0.527 4.487 3.960 -0.000 0.000 0.223 334 G HA3 0.527 4.487 3.960 -0.000 0.000 0.223 334 G C 0.897 175.870 174.900 0.122 0.000 1.434 334 G CA 0.022 45.186 45.100 0.107 0.000 1.057 334 G HN 0.665 nan 8.290 nan 0.000 0.570 335 A N -1.377 121.517 122.820 0.123 0.000 1.978 335 A HA -0.008 4.312 4.320 -0.000 0.000 0.220 335 A C 2.531 180.187 177.584 0.120 0.000 1.170 335 A CA 2.049 54.170 52.037 0.140 0.000 0.636 335 A CB -0.733 18.388 19.000 0.201 0.000 0.810 335 A HN 0.458 nan 8.150 nan 0.000 0.448 336 V N 0.562 120.540 119.914 0.106 0.000 2.231 336 V HA -0.308 3.811 4.120 -0.000 0.000 0.248 336 V C 2.468 178.626 176.094 0.106 0.000 1.054 336 V CA 2.110 64.467 62.300 0.095 0.000 1.015 336 V CB -0.652 31.225 31.823 0.090 0.000 0.638 336 V HN 0.542 nan 8.190 nan 0.000 0.444 337 I N -0.619 120.040 120.570 0.148 0.000 2.113 337 I HA -0.262 3.908 4.170 -0.000 0.000 0.238 337 I C 2.499 178.796 176.117 0.300 0.000 1.070 337 I CA 2.046 63.494 61.300 0.247 0.000 1.332 337 I CB -1.073 37.069 38.000 0.238 0.000 1.044 337 I HN 0.311 nan 8.210 nan 0.000 0.402 338 M N -0.055 119.688 119.600 0.238 0.000 2.213 338 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 338 M C 1.951 178.313 176.300 0.104 0.000 1.062 338 M CA 1.493 56.922 55.300 0.216 0.000 1.105 338 M CB -0.511 32.167 32.600 0.131 0.000 1.385 338 M HN 0.234 nan 8.290 nan 0.000 0.417 339 E N -0.042 120.185 120.200 0.045 0.000 2.338 339 E HA -0.102 4.247 4.350 -0.000 0.000 0.197 339 E C 1.982 178.531 176.600 -0.086 0.000 1.007 339 E CA 0.783 57.185 56.400 0.004 0.000 0.849 339 E CB -0.151 29.579 29.700 0.050 0.000 0.774 339 E HN 0.616 nan 8.360 nan 0.000 0.506 340 G N -0.083 108.534 108.800 -0.306 0.000 2.623 340 G HA2 0.015 3.975 3.960 -0.000 0.000 0.214 340 G HA3 0.015 3.975 3.960 -0.000 0.000 0.214 340 G C 0.217 174.516 174.900 -1.002 0.000 1.138 340 G CA 0.032 44.650 45.100 -0.804 0.000 0.794 340 G HN 0.012 nan 8.290 nan 0.000 0.535 341 F N -2.312 117.678 119.950 0.066 0.000 2.588 341 F HA 0.480 5.007 4.527 -0.000 0.000 0.314 341 F C -0.808 175.068 175.800 0.126 0.000 1.069 341 F CA -1.731 56.331 58.000 0.103 0.000 0.931 341 F CB 1.509 40.619 39.000 0.184 0.000 1.260 341 F HN -0.097 nan 8.300 nan 0.000 0.465 342 Y N 2.232 122.639 120.300 0.179 0.000 2.336 342 Y HA 0.604 5.153 4.550 -0.000 0.000 0.335 342 Y C -0.861 174.964 175.900 -0.126 0.000 1.046 342 Y CA -1.023 57.097 58.100 0.034 0.000 1.198 342 Y CB 0.748 39.240 38.460 0.054 0.000 1.182 342 Y HN 0.305 nan 8.280 nan 0.000 0.502 343 V N 7.168 126.738 119.914 -0.574 0.000 2.487 343 V HA 0.422 4.542 4.120 -0.000 0.000 0.298 343 V C -0.849 174.685 176.094 -0.932 0.000 1.028 343 V CA -1.037 60.779 62.300 -0.806 0.000 0.860 343 V CB 1.537 32.955 31.823 -0.676 0.000 0.991 343 V HN 0.536 nan 8.190 nan 0.000 0.427 344 V N 5.190 124.506 119.914 -0.998 0.000 2.384 344 V HA 0.454 4.574 4.120 -0.000 0.000 0.287 344 V C -0.604 174.986 176.094 -0.839 0.000 1.020 344 V CA -0.332 61.515 62.300 -0.755 0.000 0.850 344 V CB 1.371 32.891 31.823 -0.505 0.000 0.987 344 V HN 0.734 nan 8.190 nan 0.000 0.436 345 F N 2.801 122.233 119.950 -0.863 0.000 2.425 345 F HA 0.297 4.824 4.527 -0.000 0.000 0.354 345 F C 0.800 176.238 175.800 -0.603 0.000 1.162 345 F CA -0.435 56.982 58.000 -0.971 0.000 1.250 345 F CB 0.515 38.371 39.000 -1.907 0.000 1.579 345 F HN 0.430 nan 8.300 nan 0.000 0.589 346 D N 2.710 122.985 120.400 -0.210 0.000 2.558 346 D HA 0.097 4.737 4.640 -0.000 0.000 0.221 346 D C 1.438 177.760 176.300 0.037 0.000 1.143 346 D CA 0.132 54.092 54.000 -0.067 0.000 1.010 346 D CB 0.244 41.019 40.800 -0.041 0.000 1.068 346 D HN 0.426 nan 8.370 nan 0.000 0.511 347 R N 1.441 122.000 120.500 0.098 0.000 2.096 347 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 347 R C 2.126 178.543 176.300 0.195 0.000 1.127 347 R CA 1.385 57.630 56.100 0.243 0.000 0.968 347 R CB -0.028 30.455 30.300 0.305 0.000 0.861 347 R HN 0.347 nan 8.270 nan 0.000 0.440 348 A N 0.885 123.789 122.820 0.140 0.000 1.978 348 A HA -0.154 4.165 4.320 -0.000 0.000 0.220 348 A C 1.783 179.403 177.584 0.061 0.000 1.170 348 A CA 1.355 53.454 52.037 0.102 0.000 0.636 348 A CB -0.164 18.885 19.000 0.082 0.000 0.810 348 A HN 0.204 nan 8.150 nan 0.000 0.448 349 R N -1.426 119.092 120.500 0.031 0.000 2.509 349 R HA 0.184 4.523 4.340 -0.000 0.000 0.300 349 R C -0.464 175.844 176.300 0.013 0.000 0.985 349 R CA -0.134 55.960 56.100 -0.011 0.000 1.092 349 R CB 0.238 30.482 30.300 -0.094 0.000 1.237 349 R HN 0.377 nan 8.270 nan 0.000 0.546 350 K N 1.577 122.021 120.400 0.074 0.000 3.257 350 K HA -0.236 4.084 4.320 -0.000 0.000 0.270 350 K C -0.777 175.886 176.600 0.105 0.000 0.984 350 K CA 1.039 57.392 56.287 0.110 0.000 0.739 350 K CB -1.194 31.350 32.500 0.074 0.000 1.351 350 K HN 0.454 nan 8.250 nan 0.000 0.463 351 R N -0.815 119.740 120.500 0.092 0.000 2.710 351 R HA 0.654 4.994 4.340 -0.000 0.000 0.270 351 R C -1.018 175.323 176.300 0.067 0.000 1.021 351 R CA -1.110 55.053 56.100 0.105 0.000 0.889 351 R CB 1.270 31.609 30.300 0.066 0.000 1.243 351 R HN 0.048 nan 8.270 nan 0.000 0.464 352 I N 1.190 121.794 120.570 0.056 0.000 2.406 352 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 352 I C 0.244 176.239 176.117 -0.204 0.000 0.999 352 I CA -0.817 60.336 61.300 -0.244 0.000 1.124 352 I CB 2.241 39.995 38.000 -0.409 0.000 1.289 352 I HN 0.856 nan 8.210 nan 0.000 0.441 353 G N 5.380 113.877 108.800 -0.505 0.000 2.367 353 G HA2 0.685 4.645 3.960 -0.000 0.000 0.314 353 G HA3 0.685 4.645 3.960 -0.000 0.000 0.314 353 G C -1.240 173.147 174.900 -0.855 0.000 1.130 353 G CA -0.210 44.409 45.100 -0.801 0.000 0.864 353 G HN 0.341 nan 8.290 nan 0.000 0.486 354 F N 0.657 120.306 119.950 -0.501 0.000 2.529 354 F HA 0.711 5.238 4.527 -0.000 0.000 0.320 354 F C 0.409 176.054 175.800 -0.257 0.000 1.118 354 F CA -0.470 57.329 58.000 -0.335 0.000 0.915 354 F CB 2.741 41.575 39.000 -0.277 0.000 1.161 354 F HN 0.716 nan 8.300 nan 0.000 0.445 355 A N 1.620 124.481 122.820 0.068 0.000 2.556 355 A HA 0.752 5.072 4.320 -0.000 0.000 0.294 355 A C -1.357 176.447 177.584 0.366 0.000 1.091 355 A CA -0.862 51.263 52.037 0.146 0.000 0.704 355 A CB 1.123 20.069 19.000 -0.089 0.000 1.300 355 A HN 0.447 nan 8.150 nan 0.000 0.406 356 V N 1.728 121.851 119.914 0.348 0.000 2.557 356 V HA 0.196 4.316 4.120 -0.000 0.000 0.301 356 V C 1.220 177.477 176.094 0.272 0.000 1.026 356 V CA 0.501 62.965 62.300 0.274 0.000 1.137 356 V CB 0.908 32.831 31.823 0.166 0.000 0.917 356 V HN 0.915 nan 8.190 nan 0.000 0.484 357 S N 4.172 119.992 115.700 0.200 0.000 2.549 357 S HA 0.358 4.827 4.470 -0.000 0.000 0.279 357 S C 1.245 176.003 174.600 0.264 0.000 1.321 357 S CA -0.167 58.176 58.200 0.238 0.000 1.054 357 S CB 1.129 64.436 63.200 0.179 0.000 0.899 357 S HN 1.028 nan 8.310 nan 0.000 0.497 358 A N 3.329 126.243 122.820 0.156 0.000 2.239 358 A HA 0.048 4.368 4.320 -0.000 0.000 0.209 358 A C 1.777 179.403 177.584 0.071 0.000 1.171 358 A CA 0.908 53.001 52.037 0.095 0.000 0.768 358 A CB -1.151 17.857 19.000 0.013 0.000 0.790 358 A HN 1.226 nan 8.150 nan 0.000 0.478 359 c N -1.398 117.260 118.600 0.095 0.000 3.491 359 c HA 0.312 4.882 4.570 -0.000 0.000 0.298 359 c C 0.905 175.014 174.090 0.032 0.000 1.424 359 c CA 0.006 56.360 56.329 0.042 0.000 1.772 359 c CB -1.451 41.083 42.510 0.040 0.000 2.447 359 c HN 0.691 nan 8.230 nan 0.000 0.670 360 H N 1.373 120.456 119.070 0.022 0.000 2.790 360 H HA 0.459 5.014 4.556 -0.000 0.000 0.358 360 H C -0.699 174.652 175.328 0.037 0.000 1.103 360 H CA 0.302 56.346 56.048 -0.006 0.000 1.426 360 H CB 0.681 30.395 29.762 -0.080 0.000 1.424 360 H HN 0.201 nan 8.280 nan 0.000 0.599 361 V N 5.104 124.975 119.914 -0.072 0.000 2.498 361 V HA 0.232 4.352 4.120 -0.000 0.000 0.279 361 V C 0.122 176.139 176.094 -0.129 0.000 1.048 361 V CA -0.068 62.121 62.300 -0.185 0.000 0.967 361 V CB 0.223 31.964 31.823 -0.136 0.000 0.988 361 V HN 1.077 nan 8.190 nan 0.000 0.473 362 H N 1.509 120.445 119.070 -0.223 0.000 2.947 362 H HA 0.829 5.385 4.556 -0.000 0.000 0.290 362 H C -1.118 174.139 175.328 -0.118 0.000 1.430 362 H CA -1.077 54.874 56.048 -0.162 0.000 1.189 362 H CB 1.122 30.821 29.762 -0.104 0.000 1.875 362 H HN 0.581 nan 8.280 nan 0.000 0.568 363 D N -1.483 118.982 120.400 0.109 0.000 2.650 363 D HA 0.199 4.839 4.640 -0.000 0.000 0.255 363 D C 0.593 177.018 176.300 0.209 0.000 1.135 363 D CA -0.838 53.243 54.000 0.134 0.000 1.099 363 D CB 0.783 41.723 40.800 0.233 0.000 1.273 363 D HN 0.590 nan 8.370 nan 0.000 0.628 364 E N -1.363 118.885 120.200 0.081 0.000 2.482 364 E HA 0.071 4.420 4.350 -0.000 0.000 0.196 364 E C 0.565 177.002 176.600 -0.272 0.000 1.047 364 E CA 0.781 57.090 56.400 -0.151 0.000 0.869 364 E CB -0.240 29.248 29.700 -0.353 0.000 0.836 364 E HN 0.530 nan 8.360 nan 0.000 0.520 365 F N -0.436 119.558 119.950 0.074 0.000 2.453 365 F HA 0.348 4.874 4.527 -0.000 0.000 0.284 365 F C 0.678 176.509 175.800 0.051 0.000 1.065 365 F CA 0.215 58.251 58.000 0.060 0.000 1.411 365 F CB 0.401 39.441 39.000 0.066 0.000 1.131 365 F HN -0.280 nan 8.300 nan 0.000 0.582 366 R N -0.228 120.415 120.500 0.239 0.000 2.604 366 R HA 0.510 4.849 4.340 -0.000 0.000 0.281 366 R C -0.834 175.524 176.300 0.096 0.000 1.020 366 R CA -0.530 55.655 56.100 0.143 0.000 0.899 366 R CB 1.990 32.373 30.300 0.139 0.000 1.205 366 R HN 0.024 nan 8.270 nan 0.000 0.450 367 T N -1.360 113.219 114.554 0.040 0.000 2.924 367 T HA 0.730 5.080 4.350 -0.000 0.000 0.291 367 T C 0.130 174.843 174.700 0.022 0.000 1.045 367 T CA -0.886 61.233 62.100 0.032 0.000 1.015 367 T CB 1.874 70.664 68.868 -0.130 0.000 1.103 367 T HN 0.616 nan 8.240 nan 0.000 0.496 368 A N 0.932 123.718 122.820 -0.057 0.000 2.445 368 A HA 0.688 5.008 4.320 -0.000 0.000 0.242 368 A C 0.501 178.024 177.584 -0.101 0.000 1.075 368 A CA -0.141 51.745 52.037 -0.252 0.000 0.777 368 A CB -0.669 17.849 19.000 -0.803 0.000 1.013 368 A HN 1.721 nan 8.150 nan 0.000 0.493 369 A N 1.283 124.151 122.820 0.081 0.000 2.515 369 A HA 0.647 4.966 4.320 -0.000 0.000 0.298 369 A C -1.123 176.540 177.584 0.131 0.000 1.059 369 A CA -0.430 51.667 52.037 0.099 0.000 0.698 369 A CB 1.572 20.594 19.000 0.036 0.000 1.289 369 A HN 1.310 nan 8.150 nan 0.000 0.404 370 V N 1.990 121.948 119.914 0.074 0.000 2.443 370 V HA 0.547 4.667 4.120 -0.000 0.000 0.293 370 V C -0.488 175.503 176.094 -0.172 0.000 1.021 370 V CA -0.342 61.927 62.300 -0.051 0.000 0.848 370 V CB 1.198 33.036 31.823 0.025 0.000 0.998 370 V HN 0.956 nan 8.190 nan 0.000 0.424 371 E N 2.616 122.635 120.200 -0.302 0.000 2.340 371 E HA 0.851 5.201 4.350 -0.000 0.000 0.273 371 E C -0.089 176.152 176.600 -0.598 0.000 0.891 371 E CA -0.750 55.444 56.400 -0.344 0.000 0.757 371 E CB 2.947 32.616 29.700 -0.052 0.000 1.231 371 E HN 0.881 nan 8.360 nan 0.000 0.439 372 G N 1.598 109.842 108.800 -0.926 0.000 2.495 372 G HA2 0.464 4.424 3.960 -0.000 0.000 0.294 372 G HA3 0.464 4.424 3.960 -0.000 0.000 0.294 372 G C -2.973 171.619 174.900 -0.512 0.000 1.397 372 G CA -0.810 43.660 45.100 -1.050 0.000 0.790 372 G HN 0.369 nan 8.290 nan 0.000 0.486 373 P HA 0.724 nan 4.420 nan 0.000 0.284 373 P C -1.415 175.676 177.300 -0.349 0.000 1.258 373 P CA -0.474 62.557 63.100 -0.116 0.000 0.824 373 P CB 1.288 33.102 31.700 0.190 0.000 1.038 374 F N -0.681 119.300 119.950 0.052 0.000 2.538 374 F HA 0.359 4.886 4.527 -0.000 0.000 0.325 374 F C 0.228 176.072 175.800 0.074 0.000 1.066 374 F CA -1.034 57.009 58.000 0.072 0.000 0.946 374 F CB 1.780 40.858 39.000 0.131 0.000 1.199 374 F HN -0.064 nan 8.300 nan 0.000 0.473 375 V N 1.698 121.756 119.914 0.239 0.000 2.385 375 V HA 0.400 4.520 4.120 -0.000 0.000 0.269 375 V C -0.432 175.727 176.094 0.109 0.000 1.043 375 V CA -0.278 62.108 62.300 0.143 0.000 0.906 375 V CB 0.732 32.611 31.823 0.094 0.000 0.995 375 V HN 0.791 nan 8.190 nan 0.000 0.467 376 T N 6.552 121.158 114.554 0.087 0.000 2.881 376 T HA 0.615 4.965 4.350 -0.000 0.000 0.291 376 T C -0.379 174.342 174.700 0.035 0.000 0.990 376 T CA -0.441 61.680 62.100 0.034 0.000 0.976 376 T CB 1.234 70.111 68.868 0.016 0.000 0.970 376 T HN 0.309 nan 8.240 nan 0.000 0.438 377 L N 2.318 123.552 121.223 0.018 0.000 2.360 377 L HA 0.476 4.816 4.340 -0.000 0.000 0.271 377 L C 0.266 177.146 176.870 0.016 0.000 1.057 377 L CA -0.709 54.143 54.840 0.020 0.000 0.803 377 L CB 0.494 42.562 42.059 0.014 0.000 1.207 377 L HN 0.636 nan 8.230 nan 0.000 0.445 378 D N 0.915 121.327 120.400 0.021 0.000 2.945 378 D HA -0.211 4.428 4.640 -0.000 0.000 0.225 378 D C 1.155 177.471 176.300 0.027 0.000 1.158 378 D CA 0.839 54.851 54.000 0.020 0.000 0.805 378 D CB -0.642 40.165 40.800 0.011 0.000 1.098 378 D HN 0.596 nan 8.370 nan 0.000 0.426 379 M N -0.413 119.208 119.600 0.035 0.000 2.267 379 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 379 M C 1.889 178.220 176.300 0.052 0.000 1.063 379 M CA 1.330 56.657 55.300 0.044 0.000 1.090 379 M CB -0.067 32.564 32.600 0.052 0.000 1.392 379 M HN 0.001 nan 8.290 nan 0.000 0.422 380 E N 0.538 120.766 120.200 0.047 0.000 2.106 380 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 380 E C 1.437 178.065 176.600 0.048 0.000 0.984 380 E CA 1.042 57.471 56.400 0.048 0.000 0.806 380 E CB -0.479 29.243 29.700 0.037 0.000 0.750 380 E HN 0.496 nan 8.360 nan 0.000 0.458 381 D N 0.309 120.732 120.400 0.040 0.000 2.265 381 D HA -0.121 4.518 4.640 -0.000 0.000 0.208 381 D C 1.752 178.086 176.300 0.056 0.000 0.977 381 D CA 0.611 54.635 54.000 0.039 0.000 0.871 381 D CB -0.303 40.511 40.800 0.023 0.000 0.925 381 D HN 0.206 nan 8.370 nan 0.000 0.485 382 c N 0.521 119.161 118.600 0.066 0.000 2.448 382 c HA 0.135 4.705 4.570 -0.000 0.000 0.280 382 c C 1.673 175.839 174.090 0.127 0.000 1.398 382 c CA -0.096 56.287 56.329 0.090 0.000 1.774 382 c CB -1.079 41.492 42.510 0.100 0.000 1.888 382 c HN 0.226 nan 8.230 nan 0.000 0.519 383 G N -0.339 108.533 108.800 0.119 0.000 2.365 383 G HA2 0.359 4.319 3.960 -0.000 0.000 0.293 383 G HA3 0.359 4.319 3.960 -0.000 0.000 0.293 383 G C -0.687 174.316 174.900 0.173 0.000 1.128 383 G CA 0.043 45.230 45.100 0.144 0.000 0.971 383 G HN 0.433 nan 8.290 nan 0.000 0.422 384 Y N 3.899 124.257 120.300 0.097 0.000 2.402 384 Y HA 0.193 4.743 4.550 -0.000 0.000 0.333 384 Y C 0.299 176.253 175.900 0.090 0.000 1.076 384 Y CA -0.812 57.349 58.100 0.102 0.000 1.299 384 Y CB 0.487 39.045 38.460 0.163 0.000 1.197 384 Y HN 0.415 nan 8.280 nan 0.000 0.517 385 N N 6.315 124.678 118.700 -0.561 0.000 2.487 385 N HA 0.298 5.038 4.740 -0.000 0.000 0.292 385 N C -0.091 174.975 175.510 -0.740 0.000 1.108 385 N CA -0.407 52.353 53.050 -0.484 0.000 0.956 385 N CB 1.457 39.789 38.487 -0.258 0.000 1.176 385 N HN 0.653 nan 8.380 nan 0.000 0.484 386 I N 0.000 120.342 120.570 -0.380 0.000 2.984 386 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 386 I CA 0.000 61.159 61.300 -0.235 0.000 1.566 386 I CB 0.000 37.922 38.000 -0.130 0.000 1.214 386 I HN 0.000 nan 8.210 nan 0.000 0.494