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 1z68_1_A DATA FIRST_RESID 39 DATA SEQUENCE MRALTLKDIL NGTFSYKTFF PNWISGQEYL HQSADNNIVL YNIETGQSYT DATA SEQUENCE ILSNRTMKSV NASNYGLSPD RQFVYLESDY SKLWRYSYTA TYYIYDLSNG DATA SEQUENCE EFVRGNELPR PIQYLCWSPV GSKLAYVYQN NIYLKQRPGD PPFQITFNGR DATA SEQUENCE ENKIFNGIPD WVYEEEMLAT KYALWWSPNG KFLAYAEFND TDIPVIAYSY DATA SEQUENCE YGDEQYPRTI NIPYPKAGAK NPVVRIFIID TTYPAYVGPQ EVPVPAMIAS DATA SEQUENCE SDYYFSWLTW VTDERVCLQW LKRVQNVSVL SIcDFREDWQ TWDcPKTQEH DATA SEQUENCE IEESRTGWAG GFFVSTPVFS YDAISYYKIF SDKDGYKHIH YIKDTVENAI DATA SEQUENCE QITSGKWEAI NIFRVTQDSL FYSSNEFEEY PGRRNIYRIS IGSYPPSKKC DATA SEQUENCE VTCHLRKERc QYYTASFSDY AKYYALVcYG PGIPISTLHD GRTDQEIKIL DATA SEQUENCE EENKELENAL KNIQLPKEEI KKLEVDEITL WYKMILPPQF DRSKKYPLLI DATA SEQUENCE QVYGGPCSQS VRSVFAVNWI SYLASKEGMV IALVDGRGTA FQGDKLLYAV DATA SEQUENCE YRKLGVYEVE DQITAVRKFI EMGFIDEKRI AIWGWSYGGY VSSLALASGT DATA SEQUENCE GLFKcGIAVA PVSSWEYYAS VYTERFMGLP TKDDNLEHYK NSTVMARAEY DATA SEQUENCE FRNVDYLLIH GTADDNVHFQ NSAQIAKALV NAQVDFQAMW YSDQNHGLSG DATA SEQUENCE LSTNHLYTHM THFLKQcFS 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 39 M HA 0.000 nan 4.480 nan 0.000 0.227 39 M C 0.000 176.320 176.300 0.033 0.000 1.140 39 M CA 0.000 55.316 55.300 0.026 0.000 0.988 39 M CB 0.000 32.611 32.600 0.018 0.000 1.302 40 R N 1.268 121.790 120.500 0.036 0.000 2.604 40 R HA 0.932 5.271 4.340 -0.001 0.000 0.270 40 R C -1.222 175.108 176.300 0.049 0.000 1.052 40 R CA -0.635 55.495 56.100 0.050 0.000 0.902 40 R CB 1.780 32.121 30.300 0.069 0.000 1.233 40 R HN 0.791 nan 8.270 nan 0.000 0.455 41 A N 4.314 127.170 122.820 0.060 0.000 2.407 41 A HA 0.317 4.636 4.320 -0.001 0.000 0.248 41 A C 0.312 177.965 177.584 0.116 0.000 1.082 41 A CA -0.625 51.453 52.037 0.068 0.000 0.785 41 A CB 0.278 19.319 19.000 0.068 0.000 1.020 41 A HN 0.744 nan 8.150 nan 0.000 0.489 42 L N 1.218 122.516 121.223 0.126 0.000 2.516 42 L HA 0.105 4.444 4.340 -0.001 0.000 0.288 42 L C 0.618 177.681 176.870 0.321 0.000 1.246 42 L CA 0.538 55.505 54.840 0.212 0.000 0.844 42 L CB 0.309 42.490 42.059 0.204 0.000 1.106 42 L HN 0.842 nan 8.230 nan 0.000 0.509 43 T N 1.819 116.518 114.554 0.241 0.000 2.916 43 T HA 0.257 4.607 4.350 -0.001 0.000 0.292 43 T C 1.004 175.554 174.700 -0.250 0.000 1.055 43 T CA -0.825 61.319 62.100 0.074 0.000 1.009 43 T CB 1.928 70.829 68.868 0.055 0.000 1.118 43 T HN 0.437 nan 8.240 nan 0.000 0.497 44 L N 0.616 121.444 121.223 -0.657 0.000 2.083 44 L HA -0.140 4.199 4.340 -0.001 0.000 0.209 44 L C 2.274 178.993 176.870 -0.250 0.000 1.083 44 L CA 1.661 56.136 54.840 -0.609 0.000 0.752 44 L CB -0.304 41.429 42.059 -0.543 0.000 0.899 44 L HN 0.677 nan 8.230 nan 0.000 0.433 45 K N -0.015 120.290 120.400 -0.160 0.000 2.032 45 K HA -0.192 4.127 4.320 -0.001 0.000 0.209 45 K C 1.659 178.215 176.600 -0.073 0.000 1.048 45 K CA 1.659 57.891 56.287 -0.091 0.000 0.927 45 K CB -0.250 32.217 32.500 -0.055 0.000 0.712 45 K HN 0.269 nan 8.250 nan 0.000 0.441 46 D N 0.440 120.823 120.400 -0.029 0.000 2.106 46 D HA -0.184 4.455 4.640 -0.001 0.000 0.191 46 D C 1.869 178.173 176.300 0.007 0.000 0.997 46 D CA 1.278 55.286 54.000 0.013 0.000 0.834 46 D CB -0.273 40.684 40.800 0.261 0.000 0.956 46 D HN 0.056 nan 8.370 nan 0.000 0.448 47 I N 0.371 120.952 120.570 0.018 0.000 2.252 47 I HA -0.163 4.007 4.170 -0.001 0.000 0.245 47 I C 2.392 178.461 176.117 -0.080 0.000 1.102 47 I CA 0.709 62.011 61.300 0.002 0.000 1.385 47 I CB -0.199 37.809 38.000 0.013 0.000 1.064 47 I HN -0.019 nan 8.210 nan 0.000 0.414 48 L N -0.563 120.593 121.223 -0.112 0.000 2.217 48 L HA -0.124 4.216 4.340 -0.001 0.000 0.211 48 L C 1.933 178.754 176.870 -0.082 0.000 1.107 48 L CA 1.106 55.878 54.840 -0.113 0.000 0.783 48 L CB -0.564 41.431 42.059 -0.107 0.000 0.919 48 L HN 0.277 nan 8.230 nan 0.000 0.442 49 N N -0.187 118.464 118.700 -0.082 0.000 2.446 49 N HA -0.021 4.719 4.740 -0.001 0.000 0.179 49 N C 1.148 176.607 175.510 -0.085 0.000 1.054 49 N CA 0.808 53.809 53.050 -0.082 0.000 0.905 49 N CB 0.316 38.746 38.487 -0.096 0.000 0.973 49 N HN 0.270 nan 8.380 nan 0.000 0.448 50 G N -0.781 107.971 108.800 -0.080 0.000 2.176 50 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.252 50 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.252 50 G C 0.907 175.744 174.900 -0.106 0.000 1.024 50 G CA 0.768 45.830 45.100 -0.064 0.000 0.755 50 G HN 0.351 nan 8.290 nan 0.000 0.507 51 T N -0.105 114.316 114.554 -0.221 0.000 2.699 51 T HA -0.100 4.250 4.350 -0.001 0.000 0.268 51 T C 1.337 175.729 174.700 -0.514 0.000 1.036 51 T CA 1.679 63.499 62.100 -0.467 0.000 1.147 51 T CB -0.198 68.201 68.868 -0.782 0.000 0.862 51 T HN 0.463 nan 8.240 nan 0.000 0.446 52 F N 1.692 121.691 119.950 0.081 0.000 2.975 52 F HA 0.441 4.968 4.527 -0.001 0.000 0.311 52 F C 0.892 176.811 175.800 0.199 0.000 1.239 52 F CA -0.888 57.199 58.000 0.145 0.000 1.282 52 F CB 0.215 39.313 39.000 0.164 0.000 1.071 52 F HN -0.002 nan 8.300 nan 0.000 0.516 53 S N 0.894 116.718 115.700 0.206 0.000 2.672 53 S HA 0.571 5.041 4.470 -0.001 0.000 0.276 53 S C -0.583 174.129 174.600 0.188 0.000 1.207 53 S CA -0.382 57.902 58.200 0.140 0.000 1.002 53 S CB 0.845 64.041 63.200 -0.007 0.000 0.998 53 S HN 0.364 nan 8.310 nan 0.000 0.542 54 Y N 0.033 120.412 120.300 0.133 0.000 2.598 54 Y HA 0.749 5.298 4.550 -0.001 0.000 0.340 54 Y C -0.315 175.623 175.900 0.064 0.000 1.038 54 Y CA -1.252 56.891 58.100 0.071 0.000 1.100 54 Y CB 0.950 39.425 38.460 0.026 0.000 1.281 54 Y HN 0.526 nan 8.280 nan 0.000 0.488 55 K N 0.567 121.121 120.400 0.257 0.000 2.168 55 K HA 0.653 4.972 4.320 -0.001 0.000 0.239 55 K C -0.935 175.808 176.600 0.238 0.000 0.999 55 K CA -0.982 55.409 56.287 0.174 0.000 0.900 55 K CB 1.945 34.512 32.500 0.113 0.000 1.111 55 K HN 0.838 nan 8.250 nan 0.000 0.452 56 T N 0.266 114.933 114.554 0.188 0.000 2.883 56 T HA 0.544 4.894 4.350 -0.001 0.000 0.296 56 T C -1.951 172.835 174.700 0.143 0.000 1.117 56 T CA -0.603 61.604 62.100 0.179 0.000 1.006 56 T CB 0.625 69.699 68.868 0.344 0.000 1.191 56 T HN 0.427 nan 8.240 nan 0.000 0.508 57 F N 2.982 122.852 119.950 -0.134 0.000 2.771 57 F HA 0.581 5.108 4.527 -0.001 0.000 0.365 57 F C -1.630 173.949 175.800 -0.369 0.000 1.169 57 F CA -0.875 56.992 58.000 -0.222 0.000 1.093 57 F CB 0.630 39.427 39.000 -0.338 0.000 1.363 57 F HN 0.473 nan 8.300 nan 0.000 0.496 58 F N 6.058 125.921 119.950 -0.145 0.000 2.361 58 F HA 0.426 4.953 4.527 -0.001 0.000 0.364 58 F C -2.020 173.601 175.800 -0.299 0.000 1.120 58 F CA -2.335 55.605 58.000 -0.101 0.000 1.102 58 F CB 0.772 39.760 39.000 -0.020 0.000 1.183 58 F HN 0.285 nan 8.300 nan 0.000 0.476 59 P HA -0.071 nan 4.420 nan 0.000 0.263 59 P C -0.373 176.549 177.300 -0.630 0.000 1.195 59 P CA 0.005 62.606 63.100 -0.831 0.000 0.762 59 P CB 0.408 30.981 31.700 -1.879 0.000 0.799 60 N N 3.932 122.502 118.700 -0.217 0.000 2.739 60 N HA 0.027 4.766 4.740 -0.001 0.000 0.266 60 N C -0.737 174.853 175.510 0.133 0.000 1.168 60 N CA -0.420 52.645 53.050 0.025 0.000 1.055 60 N CB -0.347 38.234 38.487 0.157 0.000 1.393 60 N HN 0.278 nan 8.380 nan 0.000 0.514 61 W N 2.834 124.300 121.300 0.277 0.000 2.148 61 W HA 0.136 4.796 4.660 -0.001 0.000 0.347 61 W C 1.648 178.299 176.519 0.219 0.000 1.288 61 W CA -0.569 56.940 57.345 0.274 0.000 1.252 61 W CB 0.358 29.963 29.460 0.241 0.000 1.156 61 W HN 0.433 nan 8.180 nan 0.000 0.580 62 I N -1.330 119.516 120.570 0.460 0.000 4.779 62 I HA 0.306 4.475 4.170 -0.001 0.000 0.339 62 I C 0.457 176.713 176.117 0.232 0.000 1.293 62 I CA -0.170 61.298 61.300 0.279 0.000 1.324 62 I CB 0.021 38.139 38.000 0.196 0.000 1.424 62 I HN 0.269 nan 8.210 nan 0.000 0.489 63 S N 0.015 115.888 115.700 0.289 0.000 2.873 63 S HA 0.582 5.052 4.470 -0.001 0.000 0.303 63 S C 0.825 175.565 174.600 0.234 0.000 1.222 63 S CA -0.039 58.296 58.200 0.225 0.000 0.923 63 S CB 0.651 63.976 63.200 0.208 0.000 1.286 63 S HN 0.069 nan 8.310 nan 0.000 0.571 64 G N 0.302 109.246 108.800 0.240 0.000 2.650 64 G HA2 0.166 4.126 3.960 -0.001 0.000 0.214 64 G HA3 0.166 4.126 3.960 -0.001 0.000 0.214 64 G C 0.946 176.048 174.900 0.336 0.000 1.136 64 G CA 0.856 46.101 45.100 0.241 0.000 0.789 64 G HN 0.781 nan 8.290 nan 0.000 0.536 65 Q N -0.540 119.467 119.800 0.345 0.000 2.040 65 Q HA 0.225 4.565 4.340 -0.001 0.000 0.212 65 Q C -0.425 175.721 176.000 0.243 0.000 0.766 65 Q CA -0.024 55.964 55.803 0.308 0.000 0.967 65 Q CB 0.685 29.579 28.738 0.260 0.000 1.202 65 Q HN 0.349 nan 8.270 nan 0.000 0.446 66 E N 1.007 121.391 120.200 0.306 0.000 2.212 66 E HA 0.562 4.911 4.350 -0.001 0.000 0.268 66 E C -1.538 175.281 176.600 0.366 0.000 0.902 66 E CA -0.871 55.649 56.400 0.199 0.000 0.779 66 E CB 1.427 31.198 29.700 0.119 0.000 1.172 66 E HN 0.208 nan 8.360 nan 0.000 0.409 67 Y N 0.158 120.581 120.300 0.205 0.000 2.562 67 Y HA 0.632 5.181 4.550 -0.001 0.000 0.345 67 Y C -1.612 174.379 175.900 0.151 0.000 1.045 67 Y CA -1.391 56.784 58.100 0.125 0.000 1.028 67 Y CB 0.892 39.256 38.460 -0.160 0.000 1.297 67 Y HN 0.283 nan 8.280 nan 0.000 0.463 68 L N 4.146 125.588 121.223 0.365 0.000 2.317 68 L HA 0.525 4.865 4.340 -0.001 0.000 0.281 68 L C -0.568 176.582 176.870 0.468 0.000 1.024 68 L CA -0.674 54.336 54.840 0.284 0.000 0.810 68 L CB 1.592 43.761 42.059 0.184 0.000 1.240 68 L HN 0.837 nan 8.230 nan 0.000 0.427 69 H N 3.066 122.325 119.070 0.315 0.000 2.894 69 H HA 0.231 4.786 4.556 -0.001 0.000 0.367 69 H C -1.464 173.954 175.328 0.149 0.000 1.144 69 H CA -0.640 55.570 56.048 0.270 0.000 1.180 69 H CB 2.707 32.694 29.762 0.376 0.000 1.758 69 H HN 0.585 nan 8.280 nan 0.000 0.541 70 Q N 2.583 122.048 119.800 -0.558 0.000 2.288 70 Q HA 0.179 4.518 4.340 -0.001 0.000 0.258 70 Q C -0.037 175.739 176.000 -0.373 0.000 0.957 70 Q CA -0.404 55.163 55.803 -0.393 0.000 0.919 70 Q CB 0.989 29.576 28.738 -0.251 0.000 1.185 70 Q HN 0.704 nan 8.270 nan 0.000 0.408 71 S N 2.076 117.705 115.700 -0.119 0.000 2.634 71 S HA 0.302 4.772 4.470 -0.001 0.000 0.261 71 S C 1.081 175.678 174.600 -0.006 0.000 1.271 71 S CA -0.089 58.117 58.200 0.009 0.000 0.985 71 S CB 1.176 64.392 63.200 0.027 0.000 0.968 71 S HN 0.706 nan 8.310 nan 0.000 0.568 72 A N 1.009 123.853 122.820 0.040 0.000 1.902 72 A HA -0.085 4.235 4.320 -0.001 0.000 0.217 72 A C 1.560 179.146 177.584 0.003 0.000 1.181 72 A CA 1.579 53.633 52.037 0.027 0.000 0.623 72 A CB -1.001 18.024 19.000 0.041 0.000 0.818 72 A HN 0.956 nan 8.150 nan 0.000 0.443 73 D N -0.768 119.631 120.400 -0.001 0.000 2.538 73 D HA 0.087 4.727 4.640 -0.001 0.000 0.234 73 D C -0.656 175.627 176.300 -0.028 0.000 1.191 73 D CA -0.004 53.989 54.000 -0.013 0.000 0.828 73 D CB -1.301 39.493 40.800 -0.010 0.000 0.981 73 D HN 0.501 nan 8.370 nan 0.000 0.490 74 N N 0.805 119.482 118.700 -0.039 0.000 2.708 74 N HA -0.171 4.568 4.740 -0.001 0.000 0.255 74 N C -1.062 174.401 175.510 -0.078 0.000 1.046 74 N CA 0.419 53.435 53.050 -0.057 0.000 0.715 74 N CB -1.253 37.210 38.487 -0.040 0.000 0.895 74 N HN 0.420 nan 8.380 nan 0.000 0.545 75 N N 0.348 118.988 118.700 -0.099 0.000 2.272 75 N HA 0.497 5.237 4.740 -0.001 0.000 0.305 75 N C -0.650 174.740 175.510 -0.201 0.000 1.103 75 N CA -0.616 52.351 53.050 -0.138 0.000 0.791 75 N CB 1.458 39.875 38.487 -0.117 0.000 1.356 75 N HN 0.030 nan 8.380 nan 0.000 0.486 76 I N 1.568 121.966 120.570 -0.287 0.000 2.304 76 I HA 0.186 4.355 4.170 -0.001 0.000 0.291 76 I C 0.115 176.005 176.117 -0.378 0.000 1.018 76 I CA -0.480 60.575 61.300 -0.408 0.000 1.260 76 I CB 1.287 38.873 38.000 -0.691 0.000 1.390 76 I HN 0.104 nan 8.210 nan 0.000 0.475 77 V N 8.064 127.772 119.914 -0.343 0.000 2.540 77 V HA 0.529 4.648 4.120 -0.001 0.000 0.302 77 V C -0.821 174.918 176.094 -0.592 0.000 1.035 77 V CA -0.862 61.135 62.300 -0.505 0.000 0.873 77 V CB 1.907 33.396 31.823 -0.556 0.000 0.992 77 V HN 0.638 nan 8.190 nan 0.000 0.428 78 L N 7.673 128.451 121.223 -0.741 0.000 2.283 78 L HA 0.525 4.865 4.340 -0.001 0.000 0.287 78 L C -1.244 175.246 176.870 -0.633 0.000 1.073 78 L CA -0.122 54.350 54.840 -0.613 0.000 0.822 78 L CB 0.249 41.873 42.059 -0.724 0.000 1.186 78 L HN 0.740 nan 8.230 nan 0.000 0.436 79 Y N 4.129 124.169 120.300 -0.434 0.000 2.361 79 Y HA 0.418 4.967 4.550 -0.001 0.000 0.332 79 Y C 0.361 175.958 175.900 -0.505 0.000 1.101 79 Y CA -0.582 57.207 58.100 -0.518 0.000 1.137 79 Y CB 1.200 39.179 38.460 -0.801 0.000 1.207 79 Y HN 0.551 nan 8.280 nan 0.000 0.463 80 N N 3.488 122.096 118.700 -0.153 0.000 2.258 80 N HA 0.269 5.008 4.740 -0.001 0.000 0.299 80 N C -0.010 175.435 175.510 -0.107 0.000 1.047 80 N CA -0.429 52.559 53.050 -0.103 0.000 0.814 80 N CB 1.542 40.011 38.487 -0.031 0.000 1.413 80 N HN 0.823 nan 8.380 nan 0.000 0.478 81 I N 0.138 120.623 120.570 -0.143 0.000 3.526 81 I HA 0.220 4.389 4.170 -0.001 0.000 0.294 81 I C 1.367 177.356 176.117 -0.212 0.000 1.229 81 I CA 0.442 61.610 61.300 -0.220 0.000 1.408 81 I CB -0.011 37.786 38.000 -0.338 0.000 1.127 81 I HN 0.469 nan 8.210 nan 0.000 0.439 82 E N 1.677 121.793 120.200 -0.140 0.000 2.153 82 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 82 E C 1.910 178.523 176.600 0.021 0.000 0.988 82 E CA 2.018 58.433 56.400 0.025 0.000 0.811 82 E CB 0.113 29.889 29.700 0.127 0.000 0.746 82 E HN 0.431 nan 8.360 nan 0.000 0.466 83 T N -2.213 112.341 114.554 0.000 0.000 2.971 83 T HA 0.233 4.582 4.350 -0.001 0.000 0.252 83 T C 0.853 175.548 174.700 -0.007 0.000 1.022 83 T CA 0.675 62.779 62.100 0.006 0.000 0.980 83 T CB 0.249 69.127 68.868 0.017 0.000 1.044 83 T HN 0.389 nan 8.240 nan 0.000 0.501 84 G N 2.164 110.950 108.800 -0.024 0.000 2.198 84 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.260 84 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.260 84 G C -0.183 174.715 174.900 -0.003 0.000 1.025 84 G CA 0.119 45.206 45.100 -0.021 0.000 0.769 84 G HN 0.483 nan 8.290 nan 0.000 0.507 85 Q N -0.308 119.491 119.800 -0.002 0.000 2.301 85 Q HA 0.796 5.135 4.340 -0.001 0.000 0.267 85 Q C -0.065 175.925 176.000 -0.018 0.000 1.035 85 Q CA -0.357 55.449 55.803 0.005 0.000 0.856 85 Q CB 2.073 30.822 28.738 0.019 0.000 1.337 85 Q HN 0.326 nan 8.270 nan 0.000 0.450 86 S N 0.950 116.629 115.700 -0.034 0.000 2.595 86 S HA 0.839 5.309 4.470 -0.001 0.000 0.281 86 S C -1.350 173.226 174.600 -0.039 0.000 1.117 86 S CA -0.746 57.349 58.200 -0.176 0.000 0.873 86 S CB 1.515 64.537 63.200 -0.296 0.000 1.108 86 S HN 0.574 nan 8.310 nan 0.000 0.477 87 Y N -2.050 118.090 120.300 -0.267 0.000 2.677 87 Y HA 0.617 5.167 4.550 -0.001 0.000 0.334 87 Y C -1.003 174.754 175.900 -0.239 0.000 1.196 87 Y CA -1.117 56.858 58.100 -0.208 0.000 1.059 87 Y CB 0.348 38.715 38.460 -0.154 0.000 1.315 87 Y HN 0.417 nan 8.280 nan 0.000 0.455 88 T N 3.612 118.116 114.554 -0.084 0.000 2.855 88 T HA 0.165 4.515 4.350 -0.001 0.000 0.290 88 T C 1.008 175.616 174.700 -0.153 0.000 0.941 88 T CA 0.011 61.999 62.100 -0.185 0.000 1.030 88 T CB 0.166 68.967 68.868 -0.112 0.000 0.935 88 T HN 0.747 nan 8.240 nan 0.000 0.564 89 I N 3.295 123.631 120.570 -0.390 0.000 2.394 89 I HA 0.155 4.324 4.170 -0.001 0.000 0.251 89 I C 0.276 176.259 176.117 -0.223 0.000 1.136 89 I CA 1.333 62.470 61.300 -0.271 0.000 1.425 89 I CB 0.278 38.033 38.000 -0.409 0.000 1.079 89 I HN 0.435 nan 8.210 nan 0.000 0.425 90 L N 0.967 122.019 121.223 -0.285 0.000 2.482 90 L HA 0.335 4.674 4.340 -0.001 0.000 0.269 90 L C -0.090 176.621 176.870 -0.265 0.000 0.967 90 L CA -0.711 53.937 54.840 -0.321 0.000 0.851 90 L CB 1.734 43.590 42.059 -0.338 0.000 1.242 90 L HN 0.144 nan 8.230 nan 0.000 0.404 91 S N 1.810 117.364 115.700 -0.243 0.000 2.572 91 S HA -0.001 4.468 4.470 -0.001 0.000 0.267 91 S C 1.212 175.732 174.600 -0.133 0.000 1.361 91 S CA -0.297 57.805 58.200 -0.164 0.000 1.009 91 S CB 0.480 63.600 63.200 -0.133 0.000 0.888 91 S HN 0.773 nan 8.310 nan 0.000 0.553 92 N N 2.169 120.812 118.700 -0.095 0.000 2.142 92 N HA -0.180 4.560 4.740 -0.001 0.000 0.186 92 N C 1.295 176.780 175.510 -0.042 0.000 1.023 92 N CA 1.233 54.243 53.050 -0.068 0.000 0.852 92 N CB -0.405 38.051 38.487 -0.053 0.000 0.998 92 N HN 0.669 nan 8.380 nan 0.000 0.424 93 R N -0.636 119.844 120.500 -0.034 0.000 2.223 93 R HA 0.201 4.540 4.340 -0.001 0.000 0.198 93 R C 1.877 178.186 176.300 0.015 0.000 0.984 93 R CA 0.656 56.752 56.100 -0.008 0.000 1.018 93 R CB -0.078 30.219 30.300 -0.005 0.000 0.945 93 R HN 0.192 nan 8.270 nan 0.000 0.479 94 T N 0.818 115.371 114.554 -0.003 0.000 2.867 94 T HA -0.048 4.301 4.350 -0.001 0.000 0.268 94 T C 1.690 176.447 174.700 0.095 0.000 1.057 94 T CA 0.974 63.099 62.100 0.041 0.000 1.136 94 T CB 0.026 68.834 68.868 -0.101 0.000 0.874 94 T HN 0.080 nan 8.240 nan 0.000 0.466 95 M N 0.527 120.146 119.600 0.033 0.000 2.200 95 M HA 0.042 4.522 4.480 -0.001 0.000 0.265 95 M C 2.248 178.586 176.300 0.064 0.000 1.066 95 M CA 1.255 56.595 55.300 0.066 0.000 1.127 95 M CB -0.525 32.087 32.600 0.020 0.000 1.379 95 M HN 0.066 nan 8.290 nan 0.000 0.420 96 K N 0.263 120.684 120.400 0.035 0.000 2.366 96 K HA -0.039 4.281 4.320 -0.001 0.000 0.198 96 K C 1.929 178.542 176.600 0.022 0.000 1.044 96 K CA 1.088 57.389 56.287 0.024 0.000 0.973 96 K CB 0.076 32.582 32.500 0.010 0.000 0.767 96 K HN 0.344 nan 8.250 nan 0.000 0.475 97 S N 0.249 115.975 115.700 0.043 0.000 2.419 97 S HA -0.089 4.381 4.470 -0.001 0.000 0.233 97 S C 1.548 176.121 174.600 -0.044 0.000 1.016 97 S CA 1.201 59.422 58.200 0.034 0.000 0.974 97 S CB -0.223 63.045 63.200 0.114 0.000 0.786 97 S HN 0.096 nan 8.310 nan 0.000 0.492 98 V N -0.496 119.380 119.914 -0.063 0.000 3.159 98 V HA 0.361 4.481 4.120 -0.001 0.000 0.333 98 V C 0.082 176.157 176.094 -0.032 0.000 1.424 98 V CA -0.287 61.904 62.300 -0.182 0.000 1.125 98 V CB -1.880 29.630 31.823 -0.522 0.000 1.075 98 V HN 0.591 nan 8.190 nan 0.000 0.482 99 N N 0.968 119.670 118.700 0.003 0.000 2.805 99 N HA -0.190 4.549 4.740 -0.001 0.000 0.280 99 N C 0.145 175.688 175.510 0.055 0.000 0.982 99 N CA 0.946 54.013 53.050 0.028 0.000 0.846 99 N CB -1.311 37.188 38.487 0.020 0.000 0.932 99 N HN 1.074 nan 8.380 nan 0.000 0.583 100 A N 0.593 123.462 122.820 0.083 0.000 2.332 100 A HA 0.583 4.903 4.320 -0.001 0.000 0.258 100 A C 1.195 178.827 177.584 0.080 0.000 1.087 100 A CA -0.081 52.024 52.037 0.113 0.000 0.802 100 A CB 0.562 19.673 19.000 0.185 0.000 1.042 100 A HN 0.988 nan 8.150 nan 0.000 0.489 101 S N -0.084 115.655 115.700 0.066 0.000 2.733 101 S HA 0.282 4.752 4.470 -0.001 0.000 0.247 101 S C 0.083 174.712 174.600 0.048 0.000 1.043 101 S CA -0.320 57.895 58.200 0.024 0.000 1.066 101 S CB -0.125 63.044 63.200 -0.051 0.000 1.045 101 S HN 0.690 nan 8.310 nan 0.000 0.586 102 N N 0.475 119.249 118.700 0.124 0.000 2.710 102 N HA 0.452 5.191 4.740 -0.001 0.000 0.257 102 N C -1.909 173.779 175.510 0.297 0.000 1.327 102 N CA -0.509 52.639 53.050 0.163 0.000 0.861 102 N CB 2.115 40.672 38.487 0.116 0.000 1.532 102 N HN 0.366 nan 8.380 nan 0.000 0.499 103 Y N -1.640 118.749 120.300 0.147 0.000 2.605 103 Y HA 0.861 5.411 4.550 -0.001 0.000 0.343 103 Y C -0.093 175.597 175.900 -0.351 0.000 1.036 103 Y CA -1.235 56.884 58.100 0.032 0.000 1.065 103 Y CB 1.662 40.119 38.460 -0.004 0.000 1.288 103 Y HN 0.458 nan 8.280 nan 0.000 0.481 104 G N 2.983 111.384 108.800 -0.665 0.000 2.770 104 G HA2 0.343 4.303 3.960 -0.001 0.000 0.298 104 G HA3 0.343 4.303 3.960 -0.001 0.000 0.298 104 G C -1.889 172.934 174.900 -0.127 0.000 1.534 104 G CA -0.605 43.830 45.100 -1.107 0.000 1.046 104 G HN 0.753 nan 8.290 nan 0.000 0.548 105 L N 2.883 124.138 121.223 0.053 0.000 2.410 105 L HA 0.454 4.793 4.340 -0.001 0.000 0.273 105 L C 1.025 177.805 176.870 -0.149 0.000 1.152 105 L CA 0.020 54.875 54.840 0.025 0.000 0.855 105 L CB 1.307 43.396 42.059 0.051 0.000 1.129 105 L HN 0.536 nan 8.230 nan 0.000 0.463 106 S N 6.249 121.648 115.700 -0.501 0.000 2.585 106 S HA 0.220 4.690 4.470 -0.001 0.000 0.273 106 S C -1.575 172.795 174.600 -0.384 0.000 1.339 106 S CA -0.861 56.772 58.200 -0.945 0.000 1.028 106 S CB 1.114 63.511 63.200 -1.338 0.000 0.906 106 S HN 0.583 nan 8.310 nan 0.000 0.528 107 P HA -0.143 nan 4.420 nan 0.000 0.217 107 P C 0.597 177.839 177.300 -0.096 0.000 1.151 107 P CA 1.623 64.651 63.100 -0.120 0.000 0.849 107 P CB -0.163 31.479 31.700 -0.096 0.000 0.787 108 D N -1.836 118.485 120.400 -0.131 0.000 2.328 108 D HA -0.020 4.619 4.640 -0.001 0.000 0.226 108 D C 0.422 176.672 176.300 -0.084 0.000 1.066 108 D CA -0.189 53.766 54.000 -0.075 0.000 0.861 108 D CB -0.747 40.026 40.800 -0.045 0.000 0.912 108 D HN 0.021 nan 8.370 nan 0.000 0.521 109 R N -0.813 119.619 120.500 -0.113 0.000 3.932 109 R HA -0.262 4.078 4.340 -0.001 0.000 0.318 109 R C 0.890 177.112 176.300 -0.130 0.000 1.219 109 R CA 1.273 57.315 56.100 -0.097 0.000 0.889 109 R CB -2.062 28.214 30.300 -0.039 0.000 1.309 109 R HN 0.416 nan 8.270 nan 0.000 0.537 110 Q N -0.787 118.907 119.800 -0.178 0.000 2.354 110 Q HA 0.103 4.443 4.340 -0.001 0.000 0.203 110 Q C -0.090 175.502 176.000 -0.681 0.000 0.933 110 Q CA 0.837 56.409 55.803 -0.384 0.000 0.901 110 Q CB 0.401 28.916 28.738 -0.371 0.000 1.007 110 Q HN 0.201 nan 8.270 nan 0.000 0.495 111 F N -1.005 118.852 119.950 -0.155 0.000 2.599 111 F HA 0.520 5.047 4.527 -0.001 0.000 0.311 111 F C -0.552 175.229 175.800 -0.032 0.000 1.076 111 F CA -1.234 56.736 58.000 -0.050 0.000 0.937 111 F CB 1.711 40.685 39.000 -0.043 0.000 1.282 111 F HN -0.375 nan 8.300 nan 0.000 0.460 112 V N 2.695 122.846 119.914 0.394 0.000 2.789 112 V HA 0.553 4.673 4.120 -0.001 0.000 0.311 112 V C -1.432 175.039 176.094 0.627 0.000 1.073 112 V CA -0.838 61.694 62.300 0.386 0.000 0.921 112 V CB 1.900 33.838 31.823 0.191 0.000 1.009 112 V HN 0.671 nan 8.190 nan 0.000 0.426 113 Y N 5.039 125.735 120.300 0.661 0.000 2.301 113 Y HA 0.813 5.362 4.550 -0.001 0.000 0.325 113 Y C -1.040 175.142 175.900 0.469 0.000 1.203 113 Y CA -0.980 57.442 58.100 0.536 0.000 1.255 113 Y CB 1.155 39.851 38.460 0.393 0.000 1.232 113 Y HN 0.483 nan 8.280 nan 0.000 0.501 114 L N 3.659 125.321 121.223 0.732 0.000 2.349 114 L HA 0.343 4.682 4.340 -0.001 0.000 0.278 114 L C -0.612 176.480 176.870 0.370 0.000 0.996 114 L CA -0.433 54.746 54.840 0.565 0.000 0.825 114 L CB 1.962 44.376 42.059 0.592 0.000 1.243 114 L HN 0.759 nan 8.230 nan 0.000 0.412 115 E N 2.298 122.640 120.200 0.237 0.000 2.081 115 E HA 0.540 4.890 4.350 -0.001 0.000 0.276 115 E C -0.857 175.743 176.600 -0.000 0.000 0.950 115 E CA -0.199 56.142 56.400 -0.097 0.000 0.776 115 E CB 1.016 30.698 29.700 -0.030 0.000 1.094 115 E HN 0.665 nan 8.360 nan 0.000 0.402 116 S N 2.718 118.399 115.700 -0.032 0.000 2.745 116 S HA 0.378 4.848 4.470 -0.001 0.000 0.306 116 S C -0.427 174.177 174.600 0.006 0.000 1.137 116 S CA -0.842 57.390 58.200 0.053 0.000 0.900 116 S CB 1.197 64.501 63.200 0.174 0.000 1.176 116 S HN 0.536 nan 8.310 nan 0.000 0.520 117 D N -0.273 120.158 120.400 0.052 0.000 2.689 117 D HA -0.196 4.443 4.640 -0.001 0.000 0.237 117 D C -0.559 175.782 176.300 0.068 0.000 1.148 117 D CA 0.886 54.915 54.000 0.049 0.000 0.656 117 D CB -1.740 39.071 40.800 0.019 0.000 1.050 117 D HN 0.663 nan 8.370 nan 0.000 0.426 118 Y N 0.940 121.215 120.300 -0.042 0.000 2.620 118 Y HA 0.237 4.787 4.550 -0.001 0.000 0.330 118 Y C 0.149 176.045 175.900 -0.006 0.000 1.186 118 Y CA 0.083 58.152 58.100 -0.053 0.000 1.467 118 Y CB 0.867 39.227 38.460 -0.168 0.000 1.262 118 Y HN -0.013 nan 8.280 nan 0.000 0.550 119 S N 7.042 122.492 115.700 -0.417 0.000 2.779 119 S HA 0.275 4.745 4.470 -0.001 0.000 0.293 119 S C -1.135 173.212 174.600 -0.422 0.000 1.150 119 S CA -1.054 56.975 58.200 -0.285 0.000 1.057 119 S CB 0.341 63.475 63.200 -0.110 0.000 1.021 119 S HN 0.781 nan 8.310 nan 0.000 0.485 120 K N 5.400 125.585 120.400 -0.359 0.000 2.416 120 K HA 0.268 4.588 4.320 -0.001 0.000 0.283 120 K C 0.344 176.840 176.600 -0.173 0.000 1.037 120 K CA -0.273 55.886 56.287 -0.213 0.000 0.995 120 K CB 0.433 32.943 32.500 0.017 0.000 0.938 120 K HN 0.700 nan 8.250 nan 0.000 0.475 121 L N 3.966 125.074 121.223 -0.193 0.000 2.497 121 L HA 0.257 4.597 4.340 -0.001 0.000 0.192 121 L C 0.644 177.304 176.870 -0.349 0.000 1.323 121 L CA -0.135 54.434 54.840 -0.452 0.000 2.901 121 L CB -0.077 41.670 42.059 -0.521 0.000 2.761 121 L HN 0.764 nan 8.230 nan 0.000 1.096 122 W N -0.344 121.043 121.300 0.146 0.000 1.671 122 W HA 0.220 4.879 4.660 -0.001 0.000 0.623 122 W C 2.069 178.623 176.519 0.058 0.000 1.691 122 W CA -0.439 56.993 57.345 0.144 0.000 1.837 122 W CB -0.343 29.184 29.460 0.113 0.000 3.103 122 W HN 0.172 nan 8.180 nan 0.000 0.789 123 R N -0.981 119.644 120.500 0.208 0.000 2.070 123 R HA -0.176 4.164 4.340 -0.001 0.000 0.233 123 R C 1.844 178.020 176.300 -0.205 0.000 1.137 123 R CA 2.048 58.069 56.100 -0.132 0.000 0.945 123 R CB -0.624 29.392 30.300 -0.472 0.000 0.845 123 R HN 0.511 nan 8.270 nan 0.000 0.430 124 Y N -0.452 119.947 120.300 0.166 0.000 2.558 124 Y HA 0.208 4.758 4.550 -0.001 0.000 0.273 124 Y C 0.995 177.019 175.900 0.206 0.000 1.100 124 Y CA -0.144 58.063 58.100 0.178 0.000 1.276 124 Y CB 0.051 38.561 38.460 0.084 0.000 1.196 124 Y HN -0.045 nan 8.280 nan 0.000 0.527 125 S N 2.018 117.879 115.700 0.269 0.000 2.549 125 S HA 0.344 4.814 4.470 -0.001 0.000 0.283 125 S C -0.726 173.940 174.600 0.110 0.000 1.320 125 S CA -0.386 57.889 58.200 0.124 0.000 1.058 125 S CB -0.177 63.091 63.200 0.113 0.000 0.882 125 S HN 0.393 nan 8.310 nan 0.000 0.498 126 Y N -1.584 118.719 120.300 0.004 0.000 2.689 126 Y HA 0.773 5.323 4.550 -0.001 0.000 0.333 126 Y C -0.846 174.991 175.900 -0.104 0.000 1.208 126 Y CA -1.190 56.804 58.100 -0.176 0.000 1.055 126 Y CB 0.897 39.120 38.460 -0.394 0.000 1.304 126 Y HN 0.545 nan 8.280 nan 0.000 0.455 127 T N 1.418 116.036 114.554 0.108 0.000 2.887 127 T HA 0.919 5.269 4.350 -0.001 0.000 0.288 127 T C -1.016 173.786 174.700 0.170 0.000 1.021 127 T CA 0.102 62.254 62.100 0.087 0.000 1.000 127 T CB 1.243 70.112 68.868 0.000 0.000 1.034 127 T HN 1.197 nan 8.240 nan 0.000 0.467 128 A N 1.955 124.876 122.820 0.167 0.000 2.581 128 A HA 0.817 5.136 4.320 -0.001 0.000 0.290 128 A C -0.816 176.714 177.584 -0.090 0.000 1.119 128 A CA -0.789 51.271 52.037 0.039 0.000 0.670 128 A CB 1.357 20.369 19.000 0.020 0.000 1.280 128 A HN 0.641 nan 8.150 nan 0.000 0.425 129 T N 0.746 115.127 114.554 -0.287 0.000 2.823 129 T HA 0.625 4.974 4.350 -0.001 0.000 0.279 129 T C -1.574 172.726 174.700 -0.666 0.000 0.998 129 T CA 0.242 62.117 62.100 -0.374 0.000 0.994 129 T CB 0.488 69.160 68.868 -0.326 0.000 0.960 129 T HN 0.352 nan 8.240 nan 0.000 0.448 130 Y N 1.904 121.912 120.300 -0.485 0.000 2.326 130 Y HA 0.483 5.033 4.550 -0.001 0.000 0.331 130 Y C -0.685 174.940 175.900 -0.458 0.000 0.962 130 Y CA -1.082 56.792 58.100 -0.376 0.000 1.167 130 Y CB 0.966 39.199 38.460 -0.378 0.000 1.148 130 Y HN 0.595 nan 8.280 nan 0.000 0.463 131 Y N 3.074 123.456 120.300 0.136 0.000 2.420 131 Y HA 0.631 5.181 4.550 -0.001 0.000 0.334 131 Y C -0.498 175.640 175.900 0.397 0.000 1.094 131 Y CA -1.238 56.949 58.100 0.146 0.000 1.126 131 Y CB 1.199 39.613 38.460 -0.077 0.000 1.217 131 Y HN 0.376 nan 8.280 nan 0.000 0.462 132 I N 2.402 123.321 120.570 0.581 0.000 2.362 132 I HA 0.171 4.341 4.170 -0.001 0.000 0.289 132 I C -1.129 175.403 176.117 0.692 0.000 0.994 132 I CA -0.626 61.042 61.300 0.613 0.000 1.158 132 I CB 0.700 38.952 38.000 0.421 0.000 1.315 132 I HN 0.493 nan 8.210 nan 0.000 0.451 133 Y N 5.751 126.332 120.300 0.468 0.000 2.425 133 Y HA 0.208 4.758 4.550 -0.001 0.000 0.347 133 Y C 0.512 176.497 175.900 0.143 0.000 0.976 133 Y CA -0.474 57.680 58.100 0.090 0.000 1.190 133 Y CB 0.517 38.867 38.460 -0.184 0.000 1.136 133 Y HN 0.475 nan 8.280 nan 0.000 0.517 134 D N 6.179 126.573 120.400 -0.010 0.000 2.429 134 D HA -0.040 4.599 4.640 -0.001 0.000 0.253 134 D C 0.656 176.914 176.300 -0.070 0.000 1.294 134 D CA 0.400 54.346 54.000 -0.091 0.000 1.063 134 D CB 0.431 41.183 40.800 -0.080 0.000 1.096 134 D HN 0.708 nan 8.370 nan 0.000 0.516 135 L N 2.664 123.862 121.223 -0.042 0.000 2.610 135 L HA -0.026 4.313 4.340 -0.001 0.000 0.232 135 L C 2.106 178.927 176.870 -0.082 0.000 1.149 135 L CA 0.644 55.509 54.840 0.041 0.000 0.872 135 L CB 0.070 42.109 42.059 -0.033 0.000 0.992 135 L HN 0.176 nan 8.230 nan 0.000 0.447 136 S N -0.946 114.642 115.700 -0.186 0.000 2.439 136 S HA 0.028 4.497 4.470 -0.001 0.000 0.224 136 S C 1.531 176.073 174.600 -0.096 0.000 1.029 136 S CA 0.824 58.930 58.200 -0.156 0.000 0.946 136 S CB 0.058 63.131 63.200 -0.211 0.000 0.797 136 S HN 0.547 nan 8.310 nan 0.000 0.504 137 N N 0.017 118.662 118.700 -0.092 0.000 2.368 137 N HA 0.244 4.984 4.740 -0.001 0.000 0.178 137 N C 0.725 176.206 175.510 -0.047 0.000 1.076 137 N CA 0.645 53.654 53.050 -0.068 0.000 0.889 137 N CB 0.680 39.122 38.487 -0.075 0.000 1.040 137 N HN 0.338 nan 8.380 nan 0.000 0.463 138 G N 1.165 109.962 108.800 -0.006 0.000 2.248 138 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.263 138 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.263 138 G C -0.407 174.444 174.900 -0.081 0.000 1.082 138 G CA 0.642 45.803 45.100 0.101 0.000 0.863 138 G HN 0.515 nan 8.290 nan 0.000 0.495 139 E N -1.325 118.591 120.200 -0.473 0.000 2.429 139 E HA 0.653 5.002 4.350 -0.001 0.000 0.280 139 E C -1.158 174.922 176.600 -0.867 0.000 1.068 139 E CA -1.342 54.718 56.400 -0.566 0.000 0.837 139 E CB 0.746 30.331 29.700 -0.191 0.000 1.357 139 E HN 0.052 nan 8.360 nan 0.000 0.455 140 F N 0.573 120.242 119.950 -0.469 0.000 2.410 140 F HA 0.241 4.767 4.527 -0.001 0.000 0.334 140 F C 0.571 176.305 175.800 -0.109 0.000 1.134 140 F CA -0.313 57.512 58.000 -0.292 0.000 1.227 140 F CB 1.287 40.215 39.000 -0.119 0.000 1.194 140 F HN 0.188 nan 8.300 nan 0.000 0.571 141 V N 4.451 124.522 119.914 0.263 0.000 2.427 141 V HA 0.286 4.405 4.120 -0.001 0.000 0.268 141 V C 0.058 176.245 176.094 0.155 0.000 1.046 141 V CA -0.241 62.179 62.300 0.199 0.000 0.970 141 V CB 0.779 32.753 31.823 0.251 0.000 1.001 141 V HN 0.534 nan 8.190 nan 0.000 0.476 142 R N 2.593 123.154 120.500 0.102 0.000 2.720 142 R HA 0.878 5.218 4.340 -0.001 0.000 0.272 142 R C 0.699 177.026 176.300 0.046 0.000 0.991 142 R CA 0.581 56.720 56.100 0.065 0.000 1.010 142 R CB 1.615 31.946 30.300 0.051 0.000 1.141 142 R HN 0.892 nan 8.270 nan 0.000 0.494 143 G N 0.925 109.740 108.800 0.024 0.000 2.039 143 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.207 143 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.207 143 G C -0.415 174.482 174.900 -0.004 0.000 1.133 143 G CA -0.476 44.632 45.100 0.014 0.000 1.296 143 G HN 0.500 nan 8.290 nan 0.000 0.459 144 N N 2.911 121.607 118.700 -0.006 0.000 2.683 144 N HA 0.111 4.851 4.740 -0.001 0.000 0.256 144 N C 0.583 176.053 175.510 -0.068 0.000 1.270 144 N CA 0.620 53.654 53.050 -0.028 0.000 0.954 144 N CB 0.088 38.569 38.487 -0.009 0.000 1.289 144 N HN 0.697 nan 8.380 nan 0.000 0.508 145 E N 1.066 121.224 120.200 -0.068 0.000 3.231 145 E HA -0.169 4.180 4.350 -0.001 0.000 0.271 145 E C -0.162 176.319 176.600 -0.198 0.000 0.877 145 E CA 0.132 56.467 56.400 -0.107 0.000 0.973 145 E CB 0.483 30.134 29.700 -0.081 0.000 0.922 145 E HN 0.281 nan 8.360 nan 0.000 0.532 146 L N 6.873 127.931 121.223 -0.276 0.000 2.514 146 L HA 0.104 4.444 4.340 -0.001 0.000 0.280 146 L C -1.505 175.113 176.870 -0.420 0.000 1.223 146 L CA -1.370 53.203 54.840 -0.444 0.000 0.864 146 L CB -0.221 41.501 42.059 -0.561 0.000 1.118 146 L HN 0.591 nan 8.230 nan 0.000 0.494 147 P HA 0.138 nan 4.420 nan 0.000 0.272 147 P C -0.407 176.681 177.300 -0.354 0.000 1.240 147 P CA -0.556 62.204 63.100 -0.567 0.000 0.791 147 P CB 0.659 31.617 31.700 -1.237 0.000 0.978 148 R N 0.992 121.372 120.500 -0.201 0.000 2.668 148 R HA 0.280 4.620 4.340 -0.001 0.000 0.268 148 R C -1.780 174.562 176.300 0.070 0.000 1.232 148 R CA -2.343 53.716 56.100 -0.068 0.000 1.166 148 R CB -1.991 28.288 30.300 -0.034 0.000 1.179 148 R HN 0.382 nan 8.270 nan 0.000 0.606 149 P HA -0.211 nan 4.420 nan 0.000 0.169 149 P C -0.537 176.863 177.300 0.167 0.000 0.878 149 P CA 1.031 64.184 63.100 0.087 0.000 0.999 149 P CB -0.509 31.228 31.700 0.061 0.000 1.234 150 I N 2.214 122.875 120.570 0.151 0.000 2.428 150 I HA 0.023 4.193 4.170 -0.001 0.000 0.289 150 I C 1.918 178.122 176.117 0.145 0.000 1.019 150 I CA -0.330 61.077 61.300 0.178 0.000 1.351 150 I CB 1.116 39.160 38.000 0.073 0.000 1.412 150 I HN 0.223 nan 8.210 nan 0.000 0.513 151 Q N 4.492 124.363 119.800 0.118 0.000 1.813 151 Q HA -0.065 4.275 4.340 -0.001 0.000 0.261 151 Q C -0.467 175.561 176.000 0.047 0.000 0.975 151 Q CA 1.774 57.619 55.803 0.070 0.000 0.881 151 Q CB -0.053 28.745 28.738 0.100 0.000 0.924 151 Q HN 0.621 nan 8.270 nan 0.000 0.425 152 Y N -0.437 119.815 120.300 -0.080 0.000 2.468 152 Y HA 0.620 5.170 4.550 -0.001 0.000 0.342 152 Y C -1.464 174.311 175.900 -0.209 0.000 1.021 152 Y CA -1.214 56.800 58.100 -0.142 0.000 1.079 152 Y CB 1.194 39.618 38.460 -0.059 0.000 1.226 152 Y HN 0.257 nan 8.280 nan 0.000 0.460 153 L N 6.263 126.778 121.223 -1.179 0.000 2.465 153 L HA 0.825 5.165 4.340 -0.001 0.000 0.257 153 L C -1.696 174.428 176.870 -1.243 0.000 0.988 153 L CA -0.346 53.806 54.840 -1.146 0.000 0.827 153 L CB 1.921 43.122 42.059 -1.430 0.000 1.397 153 L HN 1.045 nan 8.230 nan 0.000 0.410 154 C N -1.024 117.793 119.300 -0.804 0.000 3.253 154 C HA 0.575 5.034 4.460 -0.001 0.000 0.342 154 C C -1.188 173.599 174.990 -0.338 0.000 1.306 154 C CA -1.323 57.426 59.018 -0.447 0.000 1.207 154 C CB 0.013 27.605 27.740 -0.247 0.000 1.479 154 C HN 0.952 nan 8.230 nan 0.000 0.469 155 W N 1.744 122.988 121.300 -0.094 0.000 2.260 155 W HA 0.608 5.268 4.660 -0.001 0.000 0.366 155 W C 0.901 176.946 176.519 -0.790 0.000 1.315 155 W CA 0.058 57.238 57.345 -0.275 0.000 1.458 155 W CB 0.641 30.008 29.460 -0.154 0.000 1.255 155 W HN 0.931 nan 8.180 nan 0.000 0.671 156 S N 0.542 115.693 115.700 -0.916 0.000 2.600 156 S HA 0.147 4.616 4.470 -0.001 0.000 0.265 156 S C -1.937 172.390 174.600 -0.455 0.000 1.325 156 S CA -0.911 56.470 58.200 -1.366 0.000 1.002 156 S CB 0.662 63.147 63.200 -1.191 0.000 0.921 156 S HN 0.256 nan 8.310 nan 0.000 0.554 157 P HA 0.196 nan 4.420 nan 0.000 0.241 157 P C -0.464 176.801 177.300 -0.058 0.000 1.191 157 P CA 0.331 63.391 63.100 -0.067 0.000 0.771 157 P CB 0.103 31.813 31.700 0.016 0.000 0.929 158 V N -1.052 118.800 119.914 -0.103 0.000 2.709 158 V HA 0.664 4.784 4.120 -0.001 0.000 0.308 158 V C 0.808 176.847 176.094 -0.092 0.000 1.062 158 V CA 0.118 62.381 62.300 -0.061 0.000 0.901 158 V CB 1.020 32.834 31.823 -0.016 0.000 1.003 158 V HN 0.410 nan 8.190 nan 0.000 0.425 159 G N 4.517 113.277 108.800 -0.067 0.000 2.514 159 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.265 159 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.265 159 G C 0.204 175.032 174.900 -0.119 0.000 1.150 159 G CA 0.508 45.571 45.100 -0.062 0.000 0.959 159 G HN 2.055 nan 8.290 nan 0.000 0.556 160 S N -0.940 114.712 115.700 -0.081 0.000 2.607 160 S HA 0.524 4.994 4.470 -0.001 0.000 0.196 160 S C -0.362 174.338 174.600 0.166 0.000 0.911 160 S CA 0.108 58.236 58.200 -0.120 0.000 1.133 160 S CB 0.526 63.584 63.200 -0.238 0.000 1.612 160 S HN 0.760 nan 8.310 nan 0.000 0.437 161 K N 1.314 121.783 120.400 0.115 0.000 2.205 161 K HA 0.535 4.855 4.320 -0.001 0.000 0.279 161 K C -0.760 175.948 176.600 0.180 0.000 1.027 161 K CA -0.429 55.936 56.287 0.130 0.000 0.932 161 K CB 1.173 33.720 32.500 0.078 0.000 1.032 161 K HN 0.418 nan 8.250 nan 0.000 0.466 162 L N 2.040 123.375 121.223 0.187 0.000 2.325 162 L HA 0.544 4.883 4.340 -0.001 0.000 0.278 162 L C -0.594 176.458 176.870 0.302 0.000 1.023 162 L CA -0.587 54.284 54.840 0.051 0.000 0.811 162 L CB 1.730 43.691 42.059 -0.164 0.000 1.249 162 L HN 0.716 nan 8.230 nan 0.000 0.431 163 A N 3.674 126.681 122.820 0.311 0.000 2.359 163 A HA 0.737 5.057 4.320 -0.001 0.000 0.303 163 A C -1.546 176.089 177.584 0.085 0.000 1.066 163 A CA -0.377 51.806 52.037 0.244 0.000 0.730 163 A CB 1.114 20.296 19.000 0.303 0.000 1.211 163 A HN 0.662 nan 8.150 nan 0.000 0.439 164 Y N -0.414 119.819 120.300 -0.111 0.000 2.597 164 Y HA 0.743 5.293 4.550 -0.001 0.000 0.340 164 Y C -1.282 174.598 175.900 -0.034 0.000 1.097 164 Y CA -1.523 56.470 58.100 -0.179 0.000 1.037 164 Y CB 1.310 39.590 38.460 -0.300 0.000 1.305 164 Y HN 0.357 nan 8.280 nan 0.000 0.463 165 V N 3.462 123.428 119.914 0.086 0.000 2.347 165 V HA 0.295 4.415 4.120 -0.001 0.000 0.280 165 V C -1.328 174.905 176.094 0.232 0.000 1.021 165 V CA -0.624 61.727 62.300 0.086 0.000 0.847 165 V CB 0.658 32.534 31.823 0.088 0.000 0.990 165 V HN 0.775 nan 8.190 nan 0.000 0.444 166 Y N 4.223 124.591 120.300 0.114 0.000 2.326 166 Y HA 0.440 4.989 4.550 -0.001 0.000 0.331 166 Y C 0.399 176.345 175.900 0.078 0.000 0.962 166 Y CA -0.795 57.366 58.100 0.102 0.000 1.167 166 Y CB 1.271 39.776 38.460 0.075 0.000 1.148 166 Y HN 0.781 nan 8.280 nan 0.000 0.463 167 Q N 6.334 125.863 119.800 -0.452 0.000 2.460 167 Q HA -0.383 3.957 4.340 -0.001 0.000 0.311 167 Q C 0.017 175.874 176.000 -0.238 0.000 1.396 167 Q CA 1.086 56.617 55.803 -0.453 0.000 0.838 167 Q CB -1.461 26.825 28.738 -0.754 0.000 1.140 167 Q HN 1.141 nan 8.270 nan 0.000 0.415 168 N N -1.409 117.220 118.700 -0.119 0.000 2.863 168 N HA -0.182 4.557 4.740 -0.001 0.000 0.245 168 N C -0.573 174.875 175.510 -0.104 0.000 1.001 168 N CA 0.823 53.825 53.050 -0.080 0.000 0.901 168 N CB -0.419 37.955 38.487 -0.188 0.000 1.124 168 N HN 0.411 nan 8.380 nan 0.000 0.582 169 N N 0.770 119.395 118.700 -0.126 0.000 2.284 169 N HA 0.467 5.207 4.740 -0.001 0.000 0.300 169 N C -0.339 175.022 175.510 -0.247 0.000 1.047 169 N CA -0.391 52.519 53.050 -0.234 0.000 0.821 169 N CB 1.344 39.634 38.487 -0.327 0.000 1.337 169 N HN 0.090 nan 8.380 nan 0.000 0.482 170 I N 2.380 122.701 120.570 -0.415 0.000 2.471 170 I HA 0.156 4.326 4.170 -0.001 0.000 0.286 170 I C -0.298 175.455 176.117 -0.607 0.000 1.079 170 I CA -0.052 60.983 61.300 -0.442 0.000 1.398 170 I CB 0.128 37.814 38.000 -0.523 0.000 1.403 170 I HN 0.298 nan 8.210 nan 0.000 0.530 171 Y N 5.849 125.749 120.300 -0.667 0.000 2.528 171 Y HA 0.669 5.218 4.550 -0.001 0.000 0.335 171 Y C -0.319 175.266 175.900 -0.525 0.000 1.093 171 Y CA -0.874 56.812 58.100 -0.690 0.000 1.134 171 Y CB 2.079 39.873 38.460 -1.109 0.000 1.253 171 Y HN 0.407 nan 8.280 nan 0.000 0.478 172 L N 2.205 123.397 121.223 -0.052 0.000 2.401 172 L HA 0.656 4.995 4.340 -0.001 0.000 0.266 172 L C -1.566 175.409 176.870 0.176 0.000 0.991 172 L CA -0.587 54.292 54.840 0.065 0.000 0.818 172 L CB 1.841 43.929 42.059 0.050 0.000 1.321 172 L HN 0.572 nan 8.230 nan 0.000 0.413 173 K N 2.085 122.602 120.400 0.195 0.000 2.316 173 K HA 0.453 4.773 4.320 -0.001 0.000 0.251 173 K C -0.208 176.473 176.600 0.136 0.000 0.934 173 K CA -0.550 55.835 56.287 0.163 0.000 0.802 173 K CB 2.206 34.791 32.500 0.141 0.000 1.171 173 K HN 0.645 nan 8.250 nan 0.000 0.426 174 Q N 1.026 120.877 119.800 0.085 0.000 2.141 174 Q HA 0.208 4.548 4.340 -0.001 0.000 0.194 174 Q C -0.188 175.839 176.000 0.045 0.000 0.975 174 Q CA 1.279 57.116 55.803 0.057 0.000 0.834 174 Q CB 0.536 29.280 28.738 0.010 0.000 0.916 174 Q HN 0.319 nan 8.270 nan 0.000 0.484 175 R N 0.199 120.714 120.500 0.025 0.000 2.474 175 R HA 0.237 4.577 4.340 -0.001 0.000 0.295 175 R C -1.981 174.288 176.300 -0.051 0.000 0.980 175 R CA -1.883 54.213 56.100 -0.008 0.000 0.934 175 R CB 0.779 31.092 30.300 0.022 0.000 1.101 175 R HN 0.048 nan 8.270 nan 0.000 0.469 176 P HA -0.157 nan 4.420 nan 0.000 0.221 176 P C 0.846 178.099 177.300 -0.078 0.000 1.141 176 P CA 1.223 64.201 63.100 -0.204 0.000 0.794 176 P CB 0.276 31.596 31.700 -0.634 0.000 0.764 177 G N -2.323 106.462 108.800 -0.025 0.000 3.020 177 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.217 177 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.217 177 G C 0.136 175.049 174.900 0.022 0.000 1.144 177 G CA -0.106 45.007 45.100 0.022 0.000 0.760 177 G HN 0.166 nan 8.290 nan 0.000 0.548 178 D N 1.331 121.744 120.400 0.023 0.000 2.368 178 D HA 0.288 4.927 4.640 -0.001 0.000 0.240 178 D C -2.327 174.001 176.300 0.047 0.000 1.169 178 D CA -1.308 52.714 54.000 0.038 0.000 0.906 178 D CB 0.963 41.789 40.800 0.044 0.000 1.187 178 D HN 0.018 nan 8.370 nan 0.000 0.435 179 P HA 0.185 nan 4.420 nan 0.000 0.271 179 P C -2.442 174.930 177.300 0.120 0.000 1.220 179 P CA -0.952 62.190 63.100 0.070 0.000 0.768 179 P CB -0.018 31.724 31.700 0.069 0.000 0.848 180 P HA 0.061 nan 4.420 nan 0.000 0.265 180 P C -0.871 176.580 177.300 0.252 0.000 1.193 180 P CA 0.246 63.482 63.100 0.226 0.000 0.765 180 P CB 0.139 31.985 31.700 0.244 0.000 0.823 181 F N 2.906 122.902 119.950 0.078 0.000 2.361 181 F HA 0.239 4.766 4.527 -0.001 0.000 0.364 181 F C 0.616 176.332 175.800 -0.139 0.000 1.120 181 F CA -0.612 57.390 58.000 0.003 0.000 1.102 181 F CB 0.858 39.855 39.000 -0.006 0.000 1.183 181 F HN 0.219 nan 8.300 nan 0.000 0.476 182 Q N 5.995 125.419 119.800 -0.626 0.000 2.313 182 Q HA 0.149 4.489 4.340 -0.001 0.000 0.266 182 Q C 0.579 176.105 176.000 -0.791 0.000 0.989 182 Q CA -0.127 55.067 55.803 -1.014 0.000 0.890 182 Q CB 0.955 28.869 28.738 -1.374 0.000 1.200 182 Q HN 0.789 nan 8.270 nan 0.000 0.396 183 I N 1.396 121.569 120.570 -0.662 0.000 2.522 183 I HA -0.020 4.149 4.170 -0.001 0.000 0.240 183 I C 1.354 177.225 176.117 -0.409 0.000 1.078 183 I CA 0.778 61.856 61.300 -0.370 0.000 1.422 183 I CB -0.681 37.081 38.000 -0.398 0.000 1.188 183 I HN 0.605 nan 8.210 nan 0.000 0.442 184 T N -2.285 111.905 114.554 -0.608 0.000 2.944 184 T HA 0.495 4.845 4.350 -0.001 0.000 0.284 184 T C -0.108 174.241 174.700 -0.584 0.000 1.010 184 T CA -0.291 61.552 62.100 -0.429 0.000 1.025 184 T CB 2.283 70.896 68.868 -0.425 0.000 1.079 184 T HN 0.072 nan 8.240 nan 0.000 0.516 185 F N -0.072 119.720 119.950 -0.263 0.000 2.912 185 F HA 0.230 4.756 4.527 -0.001 0.000 0.357 185 F C 1.555 177.259 175.800 -0.159 0.000 1.003 185 F CA -0.673 57.198 58.000 -0.215 0.000 1.132 185 F CB 0.206 39.094 39.000 -0.187 0.000 1.055 185 F HN 0.600 nan 8.300 nan 0.000 0.572 186 N N 0.537 119.246 118.700 0.014 0.000 2.362 186 N HA 0.126 4.865 4.740 -0.001 0.000 0.204 186 N C 0.651 176.126 175.510 -0.059 0.000 1.166 186 N CA 0.317 53.361 53.050 -0.011 0.000 0.831 186 N CB -0.480 38.006 38.487 -0.003 0.000 1.008 186 N HN 0.104 nan 8.380 nan 0.000 0.472 187 G N 0.643 109.382 108.800 -0.102 0.000 2.361 187 G HA2 0.351 4.311 3.960 -0.001 0.000 0.260 187 G HA3 0.351 4.311 3.960 -0.001 0.000 0.260 187 G C -0.279 174.532 174.900 -0.148 0.000 1.261 187 G CA -0.558 44.456 45.100 -0.144 0.000 0.897 187 G HN 0.140 nan 8.290 nan 0.000 0.499 188 R N 2.411 122.798 120.500 -0.189 0.000 2.514 188 R HA 0.148 4.487 4.340 -0.001 0.000 0.296 188 R C 0.204 176.358 176.300 -0.243 0.000 1.012 188 R CA -0.757 55.239 56.100 -0.172 0.000 0.897 188 R CB 1.789 32.016 30.300 -0.121 0.000 1.184 188 R HN 0.957 nan 8.270 nan 0.000 0.440 189 E N 3.115 123.201 120.200 -0.188 0.000 2.975 189 E HA -0.271 4.079 4.350 -0.001 0.000 0.269 189 E C -0.219 176.286 176.600 -0.157 0.000 0.905 189 E CA 0.456 56.760 56.400 -0.160 0.000 0.967 189 E CB 0.224 29.872 29.700 -0.087 0.000 0.925 189 E HN 0.536 nan 8.360 nan 0.000 0.507 190 N N 2.037 120.654 118.700 -0.139 0.000 2.815 190 N HA -0.214 4.526 4.740 -0.001 0.000 0.247 190 N C -0.151 175.359 175.510 -0.001 0.000 1.030 190 N CA 1.869 54.957 53.050 0.063 0.000 0.881 190 N CB -0.335 38.222 38.487 0.116 0.000 1.134 190 N HN 0.700 nan 8.380 nan 0.000 0.582 191 K N -1.299 118.925 120.400 -0.293 0.000 2.625 191 K HA 0.277 4.596 4.320 -0.001 0.000 0.202 191 K C 0.132 176.633 176.600 -0.165 0.000 1.412 191 K CA 0.218 56.435 56.287 -0.116 0.000 0.989 191 K CB 0.992 33.453 32.500 -0.066 0.000 1.682 191 K HN -0.013 nan 8.250 nan 0.000 0.496 192 I N 2.004 122.366 120.570 -0.346 0.000 2.406 192 I HA 0.350 4.520 4.170 -0.001 0.000 0.290 192 I C -0.908 174.989 176.117 -0.366 0.000 0.999 192 I CA -0.613 60.576 61.300 -0.185 0.000 1.124 192 I CB 0.886 38.848 38.000 -0.063 0.000 1.289 192 I HN -0.010 nan 8.210 nan 0.000 0.441 193 F N 4.777 124.822 119.950 0.158 0.000 2.403 193 F HA 0.421 4.947 4.527 -0.001 0.000 0.355 193 F C 0.498 176.377 175.800 0.132 0.000 1.119 193 F CA -0.603 57.503 58.000 0.177 0.000 1.007 193 F CB 1.155 40.339 39.000 0.306 0.000 1.194 193 F HN 0.333 nan 8.300 nan 0.000 0.443 194 N N 2.202 120.999 118.700 0.162 0.000 2.408 194 N HA 0.375 5.115 4.740 -0.001 0.000 0.280 194 N C 0.841 176.372 175.510 0.035 0.000 1.002 194 N CA 0.197 53.279 53.050 0.054 0.000 0.907 194 N CB 1.970 40.380 38.487 -0.128 0.000 1.161 194 N HN 0.926 nan 8.380 nan 0.000 0.488 195 G N 1.413 110.246 108.800 0.054 0.000 2.184 195 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.264 195 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.264 195 G C 0.108 175.021 174.900 0.023 0.000 0.975 195 G CA 1.020 46.119 45.100 -0.002 0.000 0.642 195 G HN 0.688 nan 8.290 nan 0.000 0.536 196 I N -2.890 117.770 120.570 0.149 0.000 3.174 196 I HA 0.920 5.090 4.170 -0.001 0.000 0.313 196 I C -2.866 173.446 176.117 0.325 0.000 1.155 196 I CA -3.286 58.114 61.300 0.166 0.000 0.977 196 I CB 2.270 40.373 38.000 0.172 0.000 1.248 196 I HN -0.096 nan 8.210 nan 0.000 0.453 197 P HA 0.285 nan 4.420 nan 0.000 0.283 197 P C -1.440 175.533 177.300 -0.546 0.000 1.271 197 P CA -0.187 62.795 63.100 -0.195 0.000 0.841 197 P CB 0.658 32.233 31.700 -0.208 0.000 1.122 198 D N 0.276 120.131 120.400 -0.909 0.000 2.433 198 D HA -0.039 4.601 4.640 -0.001 0.000 0.255 198 D C 1.055 177.107 176.300 -0.414 0.000 1.226 198 D CA -0.462 52.895 54.000 -1.070 0.000 1.015 198 D CB 0.095 40.508 40.800 -0.645 0.000 1.091 198 D HN 0.346 nan 8.370 nan 0.000 0.527 199 W N 0.632 121.726 121.300 -0.344 0.000 2.318 199 W HA -0.217 4.442 4.660 -0.001 0.000 0.313 199 W C 2.181 178.543 176.519 -0.260 0.000 1.221 199 W CA 2.150 59.331 57.345 -0.273 0.000 1.266 199 W CB -0.417 28.855 29.460 -0.313 0.000 1.150 199 W HN 0.228 nan 8.180 nan 0.000 0.496 200 V N -0.299 119.636 119.914 0.035 0.000 2.548 200 V HA -0.268 3.851 4.120 -0.001 0.000 0.249 200 V C 1.791 177.704 176.094 -0.301 0.000 1.055 200 V CA 1.804 64.035 62.300 -0.115 0.000 1.065 200 V CB -0.684 31.053 31.823 -0.144 0.000 0.681 200 V HN 0.265 nan 8.190 nan 0.000 0.462 201 Y N 0.676 120.782 120.300 -0.324 0.000 2.314 201 Y HA -0.133 4.416 4.550 -0.001 0.000 0.293 201 Y C 2.513 178.266 175.900 -0.243 0.000 1.129 201 Y CA 1.995 59.901 58.100 -0.324 0.000 1.201 201 Y CB -0.014 38.037 38.460 -0.681 0.000 0.999 201 Y HN 0.426 nan 8.280 nan 0.000 0.541 202 E N 0.286 120.382 120.200 -0.174 0.000 2.016 202 E HA -0.256 4.094 4.350 -0.001 0.000 0.190 202 E C 2.030 178.579 176.600 -0.085 0.000 0.985 202 E CA 1.450 57.775 56.400 -0.126 0.000 0.802 202 E CB -0.041 29.572 29.700 -0.146 0.000 0.762 202 E HN 0.327 nan 8.360 nan 0.000 0.448 203 E N 0.282 120.267 120.200 -0.359 0.000 2.072 203 E HA -0.158 4.192 4.350 -0.001 0.000 0.190 203 E C 1.566 178.184 176.600 0.031 0.000 0.982 203 E CA 1.455 57.698 56.400 -0.262 0.000 0.803 203 E CB 0.122 29.337 29.700 -0.809 0.000 0.755 203 E HN 0.168 nan 8.360 nan 0.000 0.453 204 E N -1.886 118.288 120.200 -0.043 0.000 2.473 204 E HA 0.213 4.563 4.350 -0.001 0.000 0.204 204 E C 0.984 177.663 176.600 0.132 0.000 0.994 204 E CA 0.183 56.633 56.400 0.082 0.000 0.945 204 E CB 0.384 30.045 29.700 -0.065 0.000 0.990 204 E HN 0.219 nan 8.360 nan 0.000 0.493 205 M N -1.292 118.348 119.600 0.066 0.000 2.979 205 M HA 0.297 4.776 4.480 -0.001 0.000 0.221 205 M C 0.698 177.042 176.300 0.075 0.000 1.769 205 M CA 0.994 56.335 55.300 0.069 0.000 1.260 205 M CB 0.105 32.623 32.600 -0.138 0.000 1.227 205 M HN 0.056 nan 8.290 nan 0.000 0.587 206 L N 0.591 121.865 121.223 0.084 0.000 2.375 206 L HA 0.358 4.698 4.340 -0.001 0.000 0.215 206 L C 0.814 177.550 176.870 -0.224 0.000 1.108 206 L CA 0.426 55.309 54.840 0.072 0.000 0.830 206 L CB -0.568 41.669 42.059 0.296 0.000 0.959 206 L HN 0.532 nan 8.230 nan 0.000 0.457 207 A N 1.150 123.854 122.820 -0.193 0.000 2.511 207 A HA -0.214 4.106 4.320 -0.001 0.000 0.297 207 A C 0.456 177.464 177.584 -0.959 0.000 1.476 207 A CA 1.343 53.156 52.037 -0.374 0.000 0.757 207 A CB -1.791 17.048 19.000 -0.269 0.000 1.072 207 A HN 0.441 nan 8.150 nan 0.000 0.413 208 T N -1.929 112.215 114.554 -0.683 0.000 2.957 208 T HA 0.489 4.839 4.350 -0.001 0.000 0.336 208 T C 0.687 175.157 174.700 -0.384 0.000 1.462 208 T CA 0.192 61.863 62.100 -0.715 0.000 1.073 208 T CB 1.113 69.471 68.868 -0.851 0.000 1.319 208 T HN 1.024 nan 8.240 nan 0.000 0.485 209 K N 2.154 122.417 120.400 -0.228 0.000 2.442 209 K HA 0.025 4.344 4.320 -0.001 0.000 0.198 209 K C 0.115 176.585 176.600 -0.217 0.000 1.042 209 K CA 0.789 57.028 56.287 -0.079 0.000 0.958 209 K CB -0.274 32.252 32.500 0.042 0.000 0.766 209 K HN 0.629 nan 8.250 nan 0.000 0.474 210 Y N -3.308 116.757 120.300 -0.391 0.000 2.562 210 Y HA 0.695 5.245 4.550 -0.001 0.000 0.343 210 Y C -0.246 175.397 175.900 -0.428 0.000 1.025 210 Y CA -1.115 56.574 58.100 -0.686 0.000 1.082 210 Y CB 1.864 39.358 38.460 -1.611 0.000 1.264 210 Y HN -0.127 nan 8.280 nan 0.000 0.478 211 A N 2.691 125.335 122.820 -0.293 0.000 2.709 211 A HA 0.500 4.820 4.320 -0.001 0.000 0.241 211 A C -1.393 175.573 177.584 -1.029 0.000 0.879 211 A CA -0.247 51.484 52.037 -0.511 0.000 1.120 211 A CB -0.614 18.462 19.000 0.126 0.000 1.226 211 A HN 0.824 nan 8.150 nan 0.000 0.468 212 L N -4.302 116.288 121.223 -1.056 0.000 2.370 212 L HA 1.022 5.362 4.340 -0.001 0.000 0.266 212 L C -1.289 175.091 176.870 -0.817 0.000 1.002 212 L CA -0.820 53.581 54.840 -0.731 0.000 0.818 212 L CB 1.299 43.247 42.059 -0.184 0.000 1.325 212 L HN 0.213 nan 8.230 nan 0.000 0.418 213 W N 1.435 122.827 121.300 0.153 0.000 3.097 213 W HA 0.325 4.984 4.660 -0.001 0.000 0.335 213 W C -1.764 174.874 176.519 0.198 0.000 1.114 213 W CA -0.710 56.783 57.345 0.247 0.000 1.231 213 W CB 1.448 31.099 29.460 0.318 0.000 1.388 213 W HN 0.572 nan 8.180 nan 0.000 0.485 214 W N 2.034 123.475 121.300 0.235 0.000 2.261 214 W HA 0.322 4.982 4.660 -0.001 0.000 0.323 214 W C 1.157 177.400 176.519 -0.461 0.000 1.243 214 W CA 0.174 57.510 57.345 -0.016 0.000 1.210 214 W CB 0.935 30.396 29.460 0.001 0.000 1.149 214 W HN 0.192 nan 8.180 nan 0.000 0.562 215 S N 3.965 119.239 115.700 -0.709 0.000 2.572 215 S HA 0.106 4.576 4.470 -0.001 0.000 0.279 215 S C -1.152 173.236 174.600 -0.355 0.000 1.341 215 S CA -0.981 56.425 58.200 -1.324 0.000 1.043 215 S CB 1.168 63.625 63.200 -1.238 0.000 0.887 215 S HN 0.393 nan 8.310 nan 0.000 0.516 216 P HA -0.134 nan 4.420 nan 0.000 0.218 216 P C 0.563 177.879 177.300 0.027 0.000 1.146 216 P CA 1.360 64.462 63.100 0.004 0.000 0.813 216 P CB -0.090 31.649 31.700 0.066 0.000 0.778 217 N N -1.680 117.035 118.700 0.025 0.000 2.254 217 N HA 0.079 4.818 4.740 -0.001 0.000 0.190 217 N C 1.159 176.709 175.510 0.066 0.000 1.107 217 N CA 0.899 53.977 53.050 0.048 0.000 0.869 217 N CB 0.521 39.045 38.487 0.062 0.000 0.983 217 N HN 0.159 nan 8.380 nan 0.000 0.487 218 G N 1.991 110.863 108.800 0.120 0.000 2.137 218 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.237 218 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.237 218 G C 0.871 175.932 174.900 0.268 0.000 1.002 218 G CA 0.612 45.907 45.100 0.325 0.000 0.702 218 G HN 0.291 nan 8.290 nan 0.000 0.515 219 K N -1.200 119.276 120.400 0.126 0.000 2.288 219 K HA 0.388 4.707 4.320 -0.001 0.000 0.201 219 K C 0.471 176.892 176.600 -0.298 0.000 1.048 219 K CA 0.693 56.951 56.287 -0.049 0.000 0.956 219 K CB -0.029 32.465 32.500 -0.009 0.000 0.746 219 K HN 0.398 nan 8.250 nan 0.000 0.461 220 F N -0.978 118.949 119.950 -0.039 0.000 2.631 220 F HA 0.470 4.996 4.527 -0.001 0.000 0.328 220 F C -0.997 174.703 175.800 -0.168 0.000 1.067 220 F CA -1.347 56.627 58.000 -0.043 0.000 0.969 220 F CB 1.480 40.522 39.000 0.069 0.000 1.332 220 F HN -0.335 nan 8.300 nan 0.000 0.490 221 L N 1.660 122.940 121.223 0.094 0.000 2.476 221 L HA 0.832 5.172 4.340 -0.001 0.000 0.269 221 L C -1.194 175.794 176.870 0.198 0.000 0.965 221 L CA -0.486 54.294 54.840 -0.100 0.000 0.845 221 L CB 1.427 43.210 42.059 -0.460 0.000 1.259 221 L HN 0.654 nan 8.230 nan 0.000 0.403 222 A N 4.420 127.432 122.820 0.319 0.000 2.317 222 A HA 0.816 5.135 4.320 -0.001 0.000 0.327 222 A C -1.484 176.335 177.584 0.390 0.000 1.178 222 A CA -0.310 51.916 52.037 0.315 0.000 0.817 222 A CB 0.682 19.885 19.000 0.339 0.000 1.189 222 A HN 0.858 nan 8.150 nan 0.000 0.489 223 Y N -1.002 119.393 120.300 0.157 0.000 2.644 223 Y HA 0.817 5.367 4.550 -0.001 0.000 0.338 223 Y C -0.276 175.619 175.900 -0.008 0.000 1.119 223 Y CA -1.125 57.005 58.100 0.050 0.000 1.060 223 Y CB 1.140 39.570 38.460 -0.051 0.000 1.294 223 Y HN 0.875 nan 8.280 nan 0.000 0.472 224 A N 1.090 123.912 122.820 0.002 0.000 2.337 224 A HA 0.578 4.898 4.320 -0.001 0.000 0.329 224 A C -1.074 176.333 177.584 -0.295 0.000 1.146 224 A CA -0.774 51.017 52.037 -0.410 0.000 0.800 224 A CB 1.223 19.730 19.000 -0.822 0.000 1.220 224 A HN 0.786 nan 8.150 nan 0.000 0.472 225 E N 1.680 121.703 120.200 -0.295 0.000 2.133 225 E HA 0.528 4.878 4.350 -0.001 0.000 0.274 225 E C -1.748 174.674 176.600 -0.297 0.000 0.930 225 E CA -0.219 56.121 56.400 -0.099 0.000 0.770 225 E CB 0.672 30.496 29.700 0.207 0.000 1.104 225 E HN 0.520 nan 8.360 nan 0.000 0.403 226 F N 3.591 123.646 119.950 0.174 0.000 2.426 226 F HA 0.284 4.811 4.527 -0.001 0.000 0.348 226 F C 0.500 176.467 175.800 0.279 0.000 1.124 226 F CA -1.055 57.053 58.000 0.180 0.000 1.008 226 F CB 1.216 40.313 39.000 0.161 0.000 1.139 226 F HN 0.327 nan 8.300 nan 0.000 0.452 227 N N 2.836 121.763 118.700 0.379 0.000 2.511 227 N HA 0.150 4.890 4.740 -0.001 0.000 0.249 227 N C -0.224 175.455 175.510 0.281 0.000 0.971 227 N CA -0.242 52.972 53.050 0.273 0.000 0.938 227 N CB 0.876 39.465 38.487 0.170 0.000 1.131 227 N HN 0.519 nan 8.380 nan 0.000 0.505 228 D N 1.539 122.127 120.400 0.315 0.000 2.354 228 D HA 0.023 4.663 4.640 -0.001 0.000 0.209 228 D C 1.191 177.601 176.300 0.184 0.000 1.015 228 D CA 0.522 54.695 54.000 0.288 0.000 0.867 228 D CB 0.356 41.406 40.800 0.416 0.000 0.933 228 D HN 0.545 nan 8.370 nan 0.000 0.520 229 T N 0.461 115.100 114.554 0.141 0.000 2.635 229 T HA -0.243 4.107 4.350 -0.001 0.000 0.265 229 T C 1.387 176.135 174.700 0.079 0.000 1.058 229 T CA 1.669 63.824 62.100 0.091 0.000 1.162 229 T CB -0.169 68.739 68.868 0.066 0.000 0.859 229 T HN 0.094 nan 8.240 nan 0.000 0.449 230 D N 0.441 120.888 120.400 0.078 0.000 2.339 230 D HA 0.183 4.823 4.640 -0.001 0.000 0.217 230 D C 0.277 176.617 176.300 0.066 0.000 1.050 230 D CA -0.105 53.931 54.000 0.061 0.000 0.856 230 D CB -0.178 40.651 40.800 0.049 0.000 0.922 230 D HN 0.419 nan 8.370 nan 0.000 0.518 231 I N 2.186 122.809 120.570 0.088 0.000 2.496 231 I HA 0.120 4.289 4.170 -0.001 0.000 0.285 231 I C -1.947 174.220 176.117 0.083 0.000 1.080 231 I CA -1.762 59.593 61.300 0.092 0.000 1.404 231 I CB 0.755 38.826 38.000 0.119 0.000 1.403 231 I HN -0.250 nan 8.210 nan 0.000 0.539 232 P HA -0.021 nan 4.420 nan 0.000 0.262 232 P C -0.408 176.929 177.300 0.062 0.000 1.182 232 P CA -0.180 62.955 63.100 0.058 0.000 0.761 232 P CB 0.262 31.999 31.700 0.061 0.000 0.795 233 V N 2.997 122.928 119.914 0.029 0.000 2.775 233 V HA 0.300 4.420 4.120 -0.001 0.000 0.299 233 V C 0.221 176.279 176.094 -0.060 0.000 1.062 233 V CA -0.480 61.820 62.300 0.000 0.000 1.063 233 V CB 0.989 32.800 31.823 -0.021 0.000 0.994 233 V HN 0.416 nan 8.190 nan 0.000 0.483 234 I N 3.716 124.202 120.570 -0.140 0.000 2.385 234 I HA 0.728 4.897 4.170 -0.001 0.000 0.294 234 I C 0.160 176.095 176.117 -0.304 0.000 0.988 234 I CA -0.262 60.858 61.300 -0.299 0.000 1.265 234 I CB 1.190 38.791 38.000 -0.665 0.000 1.388 234 I HN 1.058 nan 8.210 nan 0.000 0.480 235 A N 7.889 130.551 122.820 -0.263 0.000 2.343 235 A HA 0.719 5.039 4.320 -0.001 0.000 0.316 235 A C -1.498 175.974 177.584 -0.188 0.000 1.104 235 A CA -0.435 51.440 52.037 -0.270 0.000 0.768 235 A CB 1.025 19.913 19.000 -0.186 0.000 1.213 235 A HN 0.704 nan 8.150 nan 0.000 0.456 236 Y N -0.383 119.817 120.300 -0.167 0.000 2.609 236 Y HA 0.808 5.358 4.550 -0.001 0.000 0.342 236 Y C -0.001 175.803 175.900 -0.159 0.000 1.058 236 Y CA -1.366 56.634 58.100 -0.166 0.000 1.055 236 Y CB 0.742 39.110 38.460 -0.153 0.000 1.292 236 Y HN 0.398 nan 8.280 nan 0.000 0.476 237 S N 0.908 116.596 115.700 -0.020 0.000 2.601 237 S HA 0.347 4.817 4.470 -0.001 0.000 0.271 237 S C -1.684 172.794 174.600 -0.202 0.000 1.305 237 S CA -0.451 57.598 58.200 -0.252 0.000 1.022 237 S CB 0.351 63.204 63.200 -0.579 0.000 0.940 237 S HN 0.654 nan 8.310 nan 0.000 0.525 238 Y N 2.007 122.084 120.300 -0.372 0.000 2.327 238 Y HA 0.378 4.928 4.550 -0.000 0.000 0.325 238 Y C -0.538 175.204 175.900 -0.264 0.000 0.999 238 Y CA -0.699 57.260 58.100 -0.236 0.000 1.195 238 Y CB 0.467 38.927 38.460 -0.000 0.000 1.132 238 Y HN 0.736 nan 8.280 nan 0.000 0.455 239 Y N 3.774 123.879 120.300 -0.325 0.000 2.365 239 Y HA 0.174 4.723 4.550 -0.000 0.000 0.293 239 Y C 1.953 177.739 175.900 -0.189 0.000 1.119 239 Y CA 0.845 58.828 58.100 -0.195 0.000 1.203 239 Y CB -0.489 37.866 38.460 -0.174 0.000 1.026 239 Y HN 0.888 nan 8.280 nan 0.000 0.549 240 G N 0.815 109.437 108.800 -0.296 0.000 2.611 240 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.301 240 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.301 240 G C 0.326 175.241 174.900 0.024 0.000 1.233 240 G CA 0.827 45.882 45.100 -0.075 0.000 0.993 240 G HN 0.370 nan 8.290 nan 0.000 0.553 241 D N 0.375 120.822 120.400 0.078 0.000 2.530 241 D HA 0.176 4.816 4.640 -0.001 0.000 0.253 241 D C 0.292 176.632 176.300 0.065 0.000 1.338 241 D CA -0.144 53.892 54.000 0.061 0.000 0.806 241 D CB 0.665 41.503 40.800 0.062 0.000 1.160 241 D HN 0.375 nan 8.370 nan 0.000 0.514 242 E N 1.062 121.315 120.200 0.087 0.000 2.312 242 E HA 0.115 4.465 4.350 -0.001 0.000 0.259 242 E C 1.052 177.701 176.600 0.081 0.000 1.122 242 E CA -0.262 56.194 56.400 0.093 0.000 0.922 242 E CB 1.537 31.309 29.700 0.120 0.000 1.109 242 E HN 0.006 nan 8.360 nan 0.000 0.442 243 Q N 0.386 120.239 119.800 0.088 0.000 2.135 243 Q HA -0.143 4.196 4.340 -0.001 0.000 0.204 243 Q C -0.279 175.669 176.000 -0.088 0.000 0.981 243 Q CA 1.469 57.275 55.803 0.006 0.000 0.856 243 Q CB 0.138 28.894 28.738 0.030 0.000 0.902 243 Q HN 0.393 nan 8.270 nan 0.000 0.425 244 Y N 0.754 121.075 120.300 0.034 0.000 2.377 244 Y HA 0.382 4.932 4.550 -0.000 0.000 0.339 244 Y C -1.914 174.014 175.900 0.047 0.000 1.011 244 Y CA -2.911 55.210 58.100 0.035 0.000 1.093 244 Y CB 1.251 39.723 38.460 0.021 0.000 1.201 244 Y HN 0.185 nan 8.280 nan 0.000 0.455 245 P HA 0.155 nan 4.420 nan 0.000 0.270 245 P C -0.900 176.461 177.300 0.101 0.000 1.223 245 P CA -0.416 62.756 63.100 0.119 0.000 0.785 245 P CB 0.905 32.640 31.700 0.059 0.000 0.923 246 R N -0.569 119.980 120.500 0.081 0.000 2.782 246 R HA 0.716 5.056 4.340 -0.001 0.000 0.258 246 R C -0.808 175.486 176.300 -0.010 0.000 1.055 246 R CA -0.786 55.341 56.100 0.046 0.000 1.065 246 R CB 0.234 30.570 30.300 0.059 0.000 1.172 246 R HN 0.236 nan 8.270 nan 0.000 0.510 247 T N 2.122 116.645 114.554 -0.051 0.000 2.795 247 T HA 0.400 4.750 4.350 -0.001 0.000 0.282 247 T C 0.011 174.612 174.700 -0.165 0.000 0.980 247 T CA -0.655 61.376 62.100 -0.115 0.000 1.012 247 T CB 0.783 69.588 68.868 -0.104 0.000 0.936 247 T HN 0.311 nan 8.240 nan 0.000 0.457 248 I N 3.794 124.176 120.570 -0.314 0.000 2.336 248 I HA 0.388 4.557 4.170 -0.001 0.000 0.292 248 I C -0.140 175.704 176.117 -0.455 0.000 0.991 248 I CA -0.842 60.212 61.300 -0.411 0.000 1.227 248 I CB 1.026 38.614 38.000 -0.686 0.000 1.366 248 I HN 0.602 nan 8.210 nan 0.000 0.466 249 N N 6.825 125.387 118.700 -0.230 0.000 2.321 249 N HA 0.707 5.446 4.740 -0.001 0.000 0.299 249 N C -0.919 174.560 175.510 -0.052 0.000 1.048 249 N CA -0.470 52.479 53.050 -0.168 0.000 0.836 249 N CB 2.472 40.905 38.487 -0.089 0.000 1.269 249 N HN 0.413 nan 8.380 nan 0.000 0.486 250 I N 1.411 121.939 120.570 -0.071 0.000 2.478 250 I HA 0.353 4.523 4.170 -0.001 0.000 0.287 250 I C -2.474 173.671 176.117 0.047 0.000 1.042 250 I CA -2.282 59.033 61.300 0.026 0.000 1.067 250 I CB 2.436 40.355 38.000 -0.136 0.000 1.233 250 I HN 0.238 nan 8.210 nan 0.000 0.431 251 P HA -0.023 nan 4.420 nan 0.000 0.260 251 P C -1.411 175.985 177.300 0.159 0.000 1.207 251 P CA 0.537 63.732 63.100 0.157 0.000 0.780 251 P CB -0.210 31.628 31.700 0.231 0.000 0.789 252 Y N 6.197 126.484 120.300 -0.022 0.000 2.301 252 Y HA 0.387 4.937 4.550 -0.000 0.000 0.325 252 Y C -2.704 173.194 175.900 -0.003 0.000 1.103 252 Y CA -2.828 55.231 58.100 -0.068 0.000 1.182 252 Y CB 1.966 40.299 38.460 -0.211 0.000 1.139 252 Y HN 0.290 nan 8.280 nan 0.000 0.443 253 P HA 0.266 nan 4.420 nan 0.000 0.284 253 P C -1.025 176.329 177.300 0.090 0.000 1.343 253 P CA -0.193 62.946 63.100 0.065 0.000 0.826 253 P CB 0.971 32.685 31.700 0.023 0.000 0.956 254 K N 1.865 122.406 120.400 0.234 0.000 2.117 254 K HA 0.569 4.889 4.320 -0.001 0.000 0.240 254 K C 0.483 177.175 176.600 0.154 0.000 1.031 254 K CA -0.776 55.661 56.287 0.249 0.000 0.909 254 K CB 0.383 33.059 32.500 0.293 0.000 1.097 254 K HN 0.380 nan 8.250 nan 0.000 0.492 255 A N 0.768 123.696 122.820 0.180 0.000 2.573 255 A HA 0.277 4.596 4.320 -0.001 0.000 0.250 255 A C 1.194 178.797 177.584 0.031 0.000 1.049 255 A CA 0.962 53.089 52.037 0.151 0.000 0.767 255 A CB -1.449 17.721 19.000 0.283 0.000 0.965 255 A HN 0.884 nan 8.150 nan 0.000 0.514 256 G N 1.000 109.814 108.800 0.022 0.000 2.184 256 G HA2 0.075 4.034 3.960 -0.001 0.000 0.264 256 G HA3 0.075 4.034 3.960 -0.001 0.000 0.264 256 G C 0.723 175.625 174.900 0.002 0.000 0.975 256 G CA 0.924 46.012 45.100 -0.020 0.000 0.642 256 G HN 2.136 nan 8.290 nan 0.000 0.536 257 A N -0.260 122.581 122.820 0.033 0.000 2.260 257 A HA 0.647 4.967 4.320 -0.001 0.000 0.278 257 A C 0.873 178.479 177.584 0.037 0.000 1.269 257 A CA 0.135 52.196 52.037 0.040 0.000 0.824 257 A CB 0.290 19.331 19.000 0.069 0.000 1.238 257 A HN 0.268 nan 8.150 nan 0.000 0.507 258 K N 1.167 121.592 120.400 0.041 0.000 2.383 258 K HA 0.055 4.375 4.320 -0.001 0.000 0.286 258 K C -0.237 176.396 176.600 0.055 0.000 1.051 258 K CA 0.240 56.551 56.287 0.039 0.000 0.974 258 K CB -0.110 32.415 32.500 0.042 0.000 0.968 258 K HN 0.703 nan 8.250 nan 0.000 0.475 259 N N 3.305 122.031 118.700 0.044 0.000 2.408 259 N HA 0.206 4.945 4.740 -0.001 0.000 0.260 259 N C -2.449 173.124 175.510 0.105 0.000 1.242 259 N CA -1.531 51.562 53.050 0.071 0.000 0.959 259 N CB 0.711 39.209 38.487 0.019 0.000 1.201 259 N HN 0.294 nan 8.380 nan 0.000 0.511 260 P HA 0.035 nan 4.420 nan 0.000 0.275 260 P C -0.895 176.528 177.300 0.206 0.000 1.228 260 P CA -0.393 62.859 63.100 0.253 0.000 0.786 260 P CB 0.737 32.683 31.700 0.409 0.000 0.927 261 V N 1.847 121.853 119.914 0.152 0.000 2.481 261 V HA 0.531 4.651 4.120 -0.001 0.000 0.286 261 V C -0.280 175.872 176.094 0.098 0.000 1.042 261 V CA -0.668 61.658 62.300 0.044 0.000 0.928 261 V CB 1.566 33.393 31.823 0.007 0.000 0.986 261 V HN 0.344 nan 8.190 nan 0.000 0.462 262 V N 6.027 125.943 119.914 0.004 0.000 2.667 262 V HA 0.755 4.875 4.120 -0.001 0.000 0.308 262 V C -0.081 175.989 176.094 -0.039 0.000 1.048 262 V CA -0.748 61.554 62.300 0.002 0.000 0.928 262 V CB 1.998 33.887 31.823 0.110 0.000 1.004 262 V HN 1.111 nan 8.190 nan 0.000 0.444 263 R N 4.647 125.064 120.500 -0.138 0.000 2.574 263 R HA 0.657 4.997 4.340 -0.001 0.000 0.288 263 R C -1.591 174.458 176.300 -0.419 0.000 1.004 263 R CA -0.433 55.525 56.100 -0.238 0.000 0.895 263 R CB 2.131 32.346 30.300 -0.142 0.000 1.191 263 R HN 0.664 nan 8.270 nan 0.000 0.444 264 I N 3.598 123.843 120.570 -0.541 0.000 2.404 264 I HA 0.423 4.593 4.170 -0.001 0.000 0.293 264 I C -0.867 174.771 176.117 -0.799 0.000 0.992 264 I CA -0.216 60.718 61.300 -0.610 0.000 1.149 264 I CB 1.079 38.732 38.000 -0.577 0.000 1.315 264 I HN 0.391 nan 8.210 nan 0.000 0.446 265 F N 5.790 125.318 119.950 -0.703 0.000 2.579 265 F HA 0.662 5.189 4.527 -0.001 0.000 0.324 265 F C -0.104 175.350 175.800 -0.576 0.000 1.058 265 F CA -0.843 56.768 58.000 -0.647 0.000 0.944 265 F CB 1.596 40.111 39.000 -0.809 0.000 1.245 265 F HN 0.044 nan 8.300 nan 0.000 0.477 266 I N 3.195 123.736 120.570 -0.049 0.000 2.533 266 I HA 0.505 4.674 4.170 -0.001 0.000 0.290 266 I C -1.221 175.125 176.117 0.381 0.000 1.056 266 I CA -0.596 60.746 61.300 0.070 0.000 1.057 266 I CB 2.319 40.121 38.000 -0.330 0.000 1.240 266 I HN 0.527 nan 8.210 nan 0.000 0.423 267 I N 4.571 125.387 120.570 0.411 0.000 2.498 267 I HA 0.283 4.452 4.170 -0.001 0.000 0.290 267 I C -0.266 175.993 176.117 0.238 0.000 1.032 267 I CA -0.431 61.082 61.300 0.355 0.000 1.073 267 I CB 2.130 40.294 38.000 0.273 0.000 1.251 267 I HN 0.582 nan 8.210 nan 0.000 0.426 268 D N 4.982 125.458 120.400 0.126 0.000 2.434 268 D HA -0.019 4.621 4.640 -0.001 0.000 0.252 268 D C 0.680 176.877 176.300 -0.172 0.000 1.185 268 D CA 0.489 54.346 54.000 -0.239 0.000 0.886 268 D CB 1.515 42.225 40.800 -0.149 0.000 1.148 268 D HN 0.601 nan 8.370 nan 0.000 0.483 269 T N 2.783 117.200 114.554 -0.228 0.000 2.851 269 T HA -0.097 4.252 4.350 -0.001 0.000 0.262 269 T C 1.784 176.409 174.700 -0.126 0.000 1.043 269 T CA 1.623 63.646 62.100 -0.129 0.000 1.140 269 T CB 0.078 68.949 68.868 0.004 0.000 0.872 269 T HN 0.544 nan 8.240 nan 0.000 0.446 270 T N 0.151 114.627 114.554 -0.130 0.000 2.643 270 T HA -0.077 4.272 4.350 -0.001 0.000 0.264 270 T C 0.558 175.129 174.700 -0.214 0.000 1.045 270 T CA 1.059 63.080 62.100 -0.132 0.000 1.155 270 T CB -0.374 68.458 68.868 -0.061 0.000 0.863 270 T HN 0.325 nan 8.240 nan 0.000 0.420 271 Y N 2.505 122.714 120.300 -0.150 0.000 2.836 271 Y HA 0.314 4.863 4.550 -0.001 0.000 0.359 271 Y C -1.829 174.021 175.900 -0.085 0.000 1.060 271 Y CA -2.699 55.335 58.100 -0.111 0.000 1.161 271 Y CB 1.426 39.843 38.460 -0.071 0.000 1.225 271 Y HN 0.164 nan 8.280 nan 0.000 0.621 272 P HA -0.070 nan 4.420 nan 0.000 0.227 272 P C 1.330 178.636 177.300 0.011 0.000 1.161 272 P CA 1.041 64.055 63.100 -0.144 0.000 0.788 272 P CB 0.451 31.849 31.700 -0.503 0.000 0.822 273 A N -0.680 122.134 122.820 -0.010 0.000 1.972 273 A HA -0.202 4.118 4.320 -0.001 0.000 0.219 273 A C 2.293 180.043 177.584 0.276 0.000 1.169 273 A CA 1.112 53.285 52.037 0.226 0.000 0.635 273 A CB -1.800 17.328 19.000 0.214 0.000 0.810 273 A HN 0.170 nan 8.150 nan 0.000 0.446 274 Y N -0.987 119.409 120.300 0.159 0.000 2.036 274 Y HA -0.156 4.393 4.550 -0.001 0.000 0.273 274 Y C 2.399 178.364 175.900 0.109 0.000 1.135 274 Y CA 2.311 60.480 58.100 0.115 0.000 1.106 274 Y CB -0.048 38.444 38.460 0.053 0.000 0.976 274 Y HN 0.113 nan 8.280 nan 0.000 0.483 275 V N -0.620 119.300 119.914 0.012 0.000 3.455 275 V HA 0.390 4.510 4.120 -0.001 0.000 0.250 275 V C 0.524 176.664 176.094 0.078 0.000 1.230 275 V CA 0.882 63.131 62.300 -0.085 0.000 1.105 275 V CB 0.004 31.812 31.823 -0.025 0.000 0.850 275 V HN 0.833 nan 8.190 nan 0.000 0.461 276 G N 1.133 110.027 108.800 0.157 0.000 2.795 276 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.664 276 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.664 276 G C -2.762 172.276 174.900 0.230 0.000 1.381 276 G CA -0.459 44.752 45.100 0.185 0.000 0.853 276 G HN 0.340 nan 8.290 nan 0.000 0.545 277 P HA 0.292 nan 4.420 nan 0.000 0.271 277 P C -0.540 176.977 177.300 0.361 0.000 1.216 277 P CA 0.188 63.463 63.100 0.291 0.000 0.771 277 P CB 0.786 32.600 31.700 0.190 0.000 0.864 278 Q N 1.734 121.798 119.800 0.440 0.000 2.325 278 Q HA 0.233 4.573 4.340 -0.001 0.000 0.270 278 Q C -0.343 175.834 176.000 0.294 0.000 1.020 278 Q CA -0.542 55.509 55.803 0.413 0.000 0.785 278 Q CB 2.264 31.281 28.738 0.465 0.000 1.259 278 Q HN 0.493 nan 8.270 nan 0.000 0.452 279 E N 1.947 122.235 120.200 0.147 0.000 2.299 279 E HA 0.120 4.469 4.350 -0.001 0.000 0.272 279 E C -0.316 176.182 176.600 -0.170 0.000 1.043 279 E CA -0.234 55.959 56.400 -0.344 0.000 0.895 279 E CB 0.999 30.438 29.700 -0.435 0.000 1.011 279 E HN 0.381 nan 8.360 nan 0.000 0.432 280 V N 6.310 126.081 119.914 -0.240 0.000 2.521 280 V HA 0.204 4.324 4.120 -0.001 0.000 0.286 280 V C -2.262 173.776 176.094 -0.095 0.000 1.034 280 V CA -1.571 60.657 62.300 -0.121 0.000 1.045 280 V CB 0.605 32.304 31.823 -0.206 0.000 0.974 280 V HN 0.674 nan 8.190 nan 0.000 0.480 281 P HA 0.004 nan 4.420 nan 0.000 0.264 281 P C -0.653 176.537 177.300 -0.183 0.000 1.173 281 P CA 0.394 63.431 63.100 -0.104 0.000 0.761 281 P CB 0.452 32.116 31.700 -0.060 0.000 0.794 282 V N 5.235 124.941 119.914 -0.346 0.000 2.394 282 V HA 0.376 4.496 4.120 -0.001 0.000 0.282 282 V C -2.221 173.540 176.094 -0.555 0.000 1.031 282 V CA -2.435 59.449 62.300 -0.694 0.000 0.881 282 V CB 0.859 32.179 31.823 -0.838 0.000 0.982 282 V HN 0.460 nan 8.190 nan 0.000 0.451 283 P HA 0.193 nan 4.420 nan 0.000 0.265 283 P C 0.683 177.775 177.300 -0.347 0.000 1.193 283 P CA 0.409 63.297 63.100 -0.354 0.000 0.765 283 P CB 0.957 32.489 31.700 -0.280 0.000 0.823 284 A N 4.590 127.273 122.820 -0.228 0.000 1.903 284 A HA -0.273 4.047 4.320 -0.001 0.000 0.219 284 A C 1.900 179.371 177.584 -0.187 0.000 1.191 284 A CA 2.528 54.450 52.037 -0.191 0.000 0.638 284 A CB -1.349 17.571 19.000 -0.133 0.000 0.823 284 A HN 0.758 nan 8.150 nan 0.000 0.451 285 M N -1.824 117.676 119.600 -0.166 0.000 2.319 285 M HA -0.007 4.473 4.480 -0.001 0.000 0.265 285 M C 1.639 177.840 176.300 -0.165 0.000 1.068 285 M CA 1.499 56.719 55.300 -0.134 0.000 1.118 285 M CB -0.447 32.096 32.600 -0.096 0.000 1.395 285 M HN 0.198 nan 8.290 nan 0.000 0.435 286 I N 2.051 122.460 120.570 -0.268 0.000 2.233 286 I HA -0.108 4.062 4.170 -0.001 0.000 0.243 286 I C 2.937 178.795 176.117 -0.431 0.000 1.093 286 I CA 1.566 62.642 61.300 -0.373 0.000 1.380 286 I CB -1.627 35.990 38.000 -0.638 0.000 1.067 286 I HN 0.413 nan 8.210 nan 0.000 0.413 287 A N 0.638 123.168 122.820 -0.483 0.000 2.125 287 A HA -0.198 4.122 4.320 -0.001 0.000 0.219 287 A C 2.529 180.038 177.584 -0.124 0.000 1.156 287 A CA 1.790 53.634 52.037 -0.322 0.000 0.671 287 A CB -0.710 18.111 19.000 -0.298 0.000 0.794 287 A HN 0.541 nan 8.150 nan 0.000 0.459 288 S N 0.006 115.634 115.700 -0.120 0.000 2.374 288 S HA -0.107 4.363 4.470 -0.001 0.000 0.227 288 S C 1.196 175.778 174.600 -0.031 0.000 1.037 288 S CA 1.865 60.024 58.200 -0.069 0.000 1.024 288 S CB -0.442 62.717 63.200 -0.068 0.000 0.861 288 S HN 0.947 nan 8.310 nan 0.000 0.456 289 S N -0.252 115.442 115.700 -0.009 0.000 2.998 289 S HA 0.540 5.010 4.470 -0.001 0.000 0.323 289 S C -1.306 173.334 174.600 0.066 0.000 1.141 289 S CA -0.931 57.278 58.200 0.015 0.000 0.873 289 S CB -0.124 63.074 63.200 -0.002 0.000 1.315 289 S HN 0.200 nan 8.310 nan 0.000 0.637 290 D N 1.575 121.984 120.400 0.015 0.000 2.506 290 D HA 0.428 5.068 4.640 -0.001 0.000 0.234 290 D C -0.691 175.599 176.300 -0.016 0.000 1.143 290 D CA 0.975 54.949 54.000 -0.043 0.000 0.871 290 D CB -0.112 40.616 40.800 -0.120 0.000 1.190 290 D HN 0.582 nan 8.370 nan 0.000 0.459 291 Y N -0.202 119.971 120.300 -0.212 0.000 2.552 291 Y HA 0.527 5.077 4.550 -0.001 0.000 0.337 291 Y C -1.751 174.090 175.900 -0.099 0.000 1.094 291 Y CA -1.334 56.666 58.100 -0.168 0.000 1.028 291 Y CB 0.430 38.878 38.460 -0.021 0.000 1.321 291 Y HN 0.257 nan 8.280 nan 0.000 0.456 292 Y N 2.972 123.514 120.300 0.404 0.000 2.453 292 Y HA 0.503 5.052 4.550 -0.001 0.000 0.326 292 Y C -0.546 175.796 175.900 0.737 0.000 1.186 292 Y CA -1.565 56.827 58.100 0.485 0.000 1.200 292 Y CB 1.235 39.849 38.460 0.256 0.000 1.247 292 Y HN 0.722 nan 8.280 nan 0.000 0.482 293 F N 1.006 121.441 119.950 0.808 0.000 2.404 293 F HA 0.348 4.874 4.527 -0.001 0.000 0.358 293 F C 1.021 177.060 175.800 0.399 0.000 1.120 293 F CA 0.046 58.321 58.000 0.458 0.000 1.144 293 F CB 1.417 40.584 39.000 0.279 0.000 1.133 293 F HN 0.584 nan 8.300 nan 0.000 0.495 294 S N 6.800 122.305 115.700 -0.326 0.000 2.388 294 S HA 0.098 4.568 4.470 -0.001 0.000 0.223 294 S C -0.307 174.055 174.600 -0.398 0.000 1.034 294 S CA 0.405 58.461 58.200 -0.240 0.000 0.963 294 S CB -0.080 63.074 63.200 -0.076 0.000 0.827 294 S HN 0.805 nan 8.310 nan 0.000 0.481 295 W N -0.278 120.374 121.300 -1.081 0.000 3.235 295 W HA 0.332 4.992 4.660 -0.001 0.000 0.318 295 W C -2.671 173.429 176.519 -0.699 0.000 1.124 295 W CA -0.789 56.038 57.345 -0.864 0.000 1.110 295 W CB 0.414 29.620 29.460 -0.422 0.000 1.415 295 W HN 0.098 nan 8.180 nan 0.000 0.563 296 L N 4.070 124.511 121.223 -1.304 0.000 2.408 296 L HA 0.768 5.108 4.340 -0.001 0.000 0.268 296 L C -0.514 175.704 176.870 -1.086 0.000 0.986 296 L CA -0.060 54.121 54.840 -1.098 0.000 0.820 296 L CB 2.059 43.327 42.059 -1.320 0.000 1.303 296 L HN 0.382 nan 8.230 nan 0.000 0.411 297 T N -0.394 113.818 114.554 -0.570 0.000 2.876 297 T HA 0.506 4.855 4.350 -0.001 0.000 0.289 297 T C -1.294 173.217 174.700 -0.314 0.000 1.014 297 T CA -0.433 61.525 62.100 -0.237 0.000 0.986 297 T CB 0.992 69.933 68.868 0.122 0.000 1.021 297 T HN 0.567 nan 8.240 nan 0.000 0.458 298 W N 3.178 124.417 121.300 -0.102 0.000 2.335 298 W HA 0.500 5.159 4.660 -0.001 0.000 0.307 298 W C 1.416 177.864 176.519 -0.118 0.000 1.117 298 W CA -0.653 56.631 57.345 -0.102 0.000 1.228 298 W CB 1.720 31.178 29.460 -0.003 0.000 1.240 298 W HN 0.752 nan 8.180 nan 0.000 0.468 299 V N 1.984 121.867 119.914 -0.053 0.000 2.374 299 V HA 0.120 4.239 4.120 -0.001 0.000 0.241 299 V C 0.737 176.839 176.094 0.014 0.000 1.034 299 V CA 2.056 64.225 62.300 -0.218 0.000 1.037 299 V CB -0.083 31.234 31.823 -0.843 0.000 0.682 299 V HN 0.502 nan 8.190 nan 0.000 0.463 300 T N -3.409 111.207 114.554 0.103 0.000 2.645 300 T HA 0.441 4.791 4.350 -0.001 0.000 0.273 300 T C 0.271 175.131 174.700 0.266 0.000 0.960 300 T CA 0.311 62.501 62.100 0.150 0.000 1.051 300 T CB 1.158 70.085 68.868 0.098 0.000 1.366 300 T HN 0.118 nan 8.240 nan 0.000 0.536 301 D N -0.009 120.502 120.400 0.185 0.000 2.323 301 D HA 0.148 4.788 4.640 -0.001 0.000 0.209 301 D C 1.151 177.583 176.300 0.220 0.000 0.973 301 D CA 0.683 54.788 54.000 0.175 0.000 0.874 301 D CB 0.159 41.052 40.800 0.156 0.000 0.930 301 D HN 0.618 nan 8.370 nan 0.000 0.521 302 E N -1.015 119.313 120.200 0.214 0.000 2.562 302 E HA 0.250 4.600 4.350 -0.001 0.000 0.214 302 E C 0.106 176.870 176.600 0.273 0.000 0.979 302 E CA -0.120 56.366 56.400 0.144 0.000 1.002 302 E CB 1.106 30.866 29.700 0.100 0.000 1.048 302 E HN -0.099 nan 8.360 nan 0.000 0.488 303 R N 0.711 121.401 120.500 0.316 0.000 2.621 303 R HA 0.634 4.974 4.340 -0.001 0.000 0.292 303 R C -1.595 174.765 176.300 0.101 0.000 0.969 303 R CA -0.720 55.497 56.100 0.196 0.000 0.887 303 R CB 2.484 32.813 30.300 0.048 0.000 1.180 303 R HN -0.033 nan 8.270 nan 0.000 0.450 304 V N 3.146 122.981 119.914 -0.132 0.000 2.888 304 V HA 0.374 4.494 4.120 -0.001 0.000 0.309 304 V C -1.209 174.618 176.094 -0.445 0.000 1.114 304 V CA -0.710 61.249 62.300 -0.569 0.000 0.940 304 V CB 2.061 33.080 31.823 -1.340 0.000 1.021 304 V HN 0.948 nan 8.190 nan 0.000 0.426 305 C N 7.107 126.124 119.300 -0.472 0.000 2.329 305 C HA 0.851 5.311 4.460 -0.001 0.000 0.329 305 C C -0.570 174.177 174.990 -0.405 0.000 1.275 305 C CA -0.510 58.334 59.018 -0.290 0.000 1.726 305 C CB 0.099 27.795 27.740 -0.072 0.000 2.291 305 C HN 0.821 nan 8.230 nan 0.000 0.514 306 L N 4.920 125.937 121.223 -0.344 0.000 2.381 306 L HA 0.568 4.908 4.340 -0.001 0.000 0.268 306 L C -0.287 176.256 176.870 -0.544 0.000 0.997 306 L CA 0.005 54.541 54.840 -0.506 0.000 0.818 306 L CB 1.840 43.582 42.059 -0.529 0.000 1.310 306 L HN 0.628 nan 8.230 nan 0.000 0.416 307 Q N 1.559 120.957 119.800 -0.669 0.000 2.340 307 Q HA 0.495 4.834 4.340 -0.001 0.000 0.268 307 Q C -1.808 173.849 176.000 -0.572 0.000 1.031 307 Q CA -0.490 55.028 55.803 -0.475 0.000 0.804 307 Q CB 2.110 30.708 28.738 -0.232 0.000 1.286 307 Q HN 0.476 nan 8.270 nan 0.000 0.448 308 W N 2.649 123.990 121.300 0.067 0.000 2.706 308 W HA 0.644 5.304 4.660 -0.001 0.000 0.346 308 W C -0.823 175.775 176.519 0.131 0.000 1.071 308 W CA -0.626 56.799 57.345 0.133 0.000 1.206 308 W CB 1.275 30.769 29.460 0.056 0.000 1.413 308 W HN 0.287 nan 8.180 nan 0.000 0.542 309 L N 3.011 124.522 121.223 0.481 0.000 2.372 309 L HA 0.347 4.687 4.340 -0.001 0.000 0.273 309 L C 0.044 177.124 176.870 0.350 0.000 0.989 309 L CA -1.006 54.050 54.840 0.360 0.000 0.841 309 L CB 1.215 43.494 42.059 0.366 0.000 1.225 309 L HN 0.372 nan 8.230 nan 0.000 0.414 310 K N 3.052 123.581 120.400 0.214 0.000 2.524 310 K HA -0.035 4.284 4.320 -0.001 0.000 0.279 310 K C 1.082 177.761 176.600 0.132 0.000 0.993 310 K CA 0.088 56.456 56.287 0.135 0.000 1.030 310 K CB 0.841 33.385 32.500 0.073 0.000 0.891 310 K HN 0.572 nan 8.250 nan 0.000 0.488 311 R N 1.791 122.301 120.500 0.017 0.000 2.103 311 R HA -0.137 4.202 4.340 -0.001 0.000 0.242 311 R C 0.188 176.558 176.300 0.116 0.000 1.142 311 R CA 1.200 57.281 56.100 -0.031 0.000 0.960 311 R CB -0.035 30.173 30.300 -0.154 0.000 0.858 311 R HN 0.381 nan 8.270 nan 0.000 0.439 312 V N 2.923 122.880 119.914 0.072 0.000 2.390 312 V HA -0.009 4.110 4.120 -0.001 0.000 0.260 312 V C 0.837 176.986 176.094 0.093 0.000 1.043 312 V CA 0.508 62.856 62.300 0.079 0.000 1.047 312 V CB 0.896 32.752 31.823 0.054 0.000 1.066 312 V HN 0.330 nan 8.190 nan 0.000 0.481 313 Q N 3.065 122.925 119.800 0.100 0.000 2.265 313 Q HA -0.016 4.324 4.340 -0.001 0.000 0.217 313 Q C 1.229 177.254 176.000 0.042 0.000 0.916 313 Q CA 0.085 55.935 55.803 0.079 0.000 0.948 313 Q CB -0.073 28.673 28.738 0.013 0.000 1.020 313 Q HN 1.000 nan 8.270 nan 0.000 0.462 314 N N -1.308 117.410 118.700 0.030 0.000 2.412 314 N HA -0.032 4.708 4.740 -0.001 0.000 0.184 314 N C 0.092 175.571 175.510 -0.052 0.000 1.101 314 N CA 0.085 53.106 53.050 -0.048 0.000 0.881 314 N CB 0.630 39.092 38.487 -0.042 0.000 0.969 314 N HN 0.052 nan 8.380 nan 0.000 0.459 315 V N -0.417 119.493 119.914 -0.006 0.000 2.760 315 V HA 0.729 4.849 4.120 -0.001 0.000 0.309 315 V C -1.238 174.877 176.094 0.036 0.000 1.077 315 V CA -0.676 61.620 62.300 -0.006 0.000 0.910 315 V CB 1.781 33.596 31.823 -0.012 0.000 1.008 315 V HN 0.354 nan 8.190 nan 0.000 0.424 316 S N 5.287 121.004 115.700 0.030 0.000 2.570 316 S HA 0.856 5.325 4.470 -0.001 0.000 0.286 316 S C -1.399 173.243 174.600 0.070 0.000 1.099 316 S CA -0.574 57.671 58.200 0.075 0.000 0.913 316 S CB 2.066 65.305 63.200 0.065 0.000 1.085 316 S HN 1.122 nan 8.310 nan 0.000 0.480 317 V N 3.948 123.945 119.914 0.138 0.000 2.376 317 V HA 0.432 4.552 4.120 -0.001 0.000 0.287 317 V C -0.279 175.921 176.094 0.177 0.000 1.015 317 V CA -0.681 61.709 62.300 0.150 0.000 0.834 317 V CB 1.086 33.004 31.823 0.159 0.000 1.001 317 V HN 0.922 nan 8.190 nan 0.000 0.428 318 L N 4.693 125.983 121.223 0.112 0.000 2.361 318 L HA 0.559 4.899 4.340 -0.001 0.000 0.278 318 L C 0.391 177.349 176.870 0.148 0.000 1.113 318 L CA 0.737 55.616 54.840 0.065 0.000 0.849 318 L CB 1.183 43.241 42.059 -0.002 0.000 1.155 318 L HN 0.703 nan 8.230 nan 0.000 0.452 319 S N 6.045 121.813 115.700 0.113 0.000 2.502 319 S HA 0.656 5.125 4.470 -0.001 0.000 0.304 319 S C -0.611 174.038 174.600 0.082 0.000 1.097 319 S CA -0.776 57.519 58.200 0.159 0.000 1.045 319 S CB 0.805 64.172 63.200 0.279 0.000 1.019 319 S HN 0.538 nan 8.310 nan 0.000 0.481 320 I N 3.749 124.391 120.570 0.120 0.000 2.404 320 I HA 0.496 4.666 4.170 -0.001 0.000 0.293 320 I C -0.638 175.525 176.117 0.076 0.000 0.992 320 I CA -0.746 60.601 61.300 0.078 0.000 1.149 320 I CB 1.614 39.701 38.000 0.144 0.000 1.315 320 I HN 0.531 nan 8.210 nan 0.000 0.446 321 c N 3.758 122.388 118.600 0.050 0.000 2.498 321 c HA 0.463 5.032 4.570 -0.001 0.000 0.316 321 c C -0.547 173.691 174.090 0.246 0.000 1.209 321 c CA -0.818 55.593 56.329 0.137 0.000 1.518 321 c CB 1.487 44.076 42.510 0.132 0.000 2.147 321 c HN 0.662 nan 8.230 nan 0.000 0.483 322 D N 1.087 121.620 120.400 0.221 0.000 2.256 322 D HA 0.235 4.875 4.640 -0.001 0.000 0.246 322 D C -0.751 175.555 176.300 0.011 0.000 1.042 322 D CA -0.196 53.896 54.000 0.153 0.000 0.841 322 D CB 1.844 42.683 40.800 0.066 0.000 1.223 322 D HN 0.541 nan 8.370 nan 0.000 0.470 323 F N 3.627 123.257 119.950 -0.533 0.000 2.494 323 F HA 0.032 4.559 4.527 -0.001 0.000 0.369 323 F C 1.088 176.644 175.800 -0.407 0.000 1.098 323 F CA -0.677 56.725 58.000 -0.997 0.000 1.154 323 F CB 0.347 38.488 39.000 -1.432 0.000 1.103 323 F HN 0.160 nan 8.300 nan 0.000 0.549 324 R N 5.022 125.085 120.500 -0.728 0.000 2.265 324 R HA 0.172 4.512 4.340 -0.001 0.000 0.314 324 R C 0.410 176.263 176.300 -0.745 0.000 1.053 324 R CA -0.691 55.111 56.100 -0.497 0.000 0.931 324 R CB 1.060 31.221 30.300 -0.232 0.000 1.024 324 R HN 0.575 nan 8.270 nan 0.000 0.457 325 E N 2.343 122.302 120.200 -0.401 0.000 2.106 325 E HA -0.171 4.178 4.350 -0.001 0.000 0.192 325 E C 1.079 177.549 176.600 -0.217 0.000 0.984 325 E CA 1.592 57.837 56.400 -0.258 0.000 0.806 325 E CB 0.045 29.717 29.700 -0.046 0.000 0.750 325 E HN 0.766 nan 8.360 nan 0.000 0.458 326 D N -0.642 119.639 120.400 -0.198 0.000 2.077 326 D HA -0.199 4.440 4.640 -0.001 0.000 0.193 326 D C 1.330 177.413 176.300 -0.361 0.000 0.989 326 D CA 0.942 54.785 54.000 -0.262 0.000 0.831 326 D CB -0.919 39.740 40.800 -0.235 0.000 0.979 326 D HN 0.258 nan 8.370 nan 0.000 0.449 327 W N 0.475 121.681 121.300 -0.157 0.000 3.388 327 W HA 0.224 4.883 4.660 -0.001 0.000 0.324 327 W C 0.602 177.033 176.519 -0.148 0.000 1.250 327 W CA -0.482 56.789 57.345 -0.123 0.000 1.809 327 W CB -0.020 29.379 29.460 -0.102 0.000 1.083 327 W HN -0.041 nan 8.180 nan 0.000 0.685 328 Q N -0.047 119.684 119.800 -0.115 0.000 2.450 328 Q HA -0.267 4.073 4.340 -0.001 0.000 0.255 328 Q C 0.397 176.385 176.000 -0.020 0.000 1.003 328 Q CA 1.638 57.378 55.803 -0.104 0.000 1.097 328 Q CB -1.451 27.387 28.738 0.167 0.000 1.544 328 Q HN 0.206 nan 8.270 nan 0.000 0.531 329 T N -2.156 112.300 114.554 -0.163 0.000 2.804 329 T HA 0.711 5.061 4.350 -0.001 0.000 0.272 329 T C -1.286 173.304 174.700 -0.182 0.000 0.986 329 T CA -0.444 61.679 62.100 0.040 0.000 0.999 329 T CB 0.596 69.548 68.868 0.140 0.000 1.307 329 T HN 0.294 nan 8.240 nan 0.000 0.586 330 W N 1.297 122.643 121.300 0.077 0.000 2.606 330 W HA 0.589 5.249 4.660 -0.001 0.000 0.332 330 W C -0.252 176.264 176.519 -0.005 0.000 1.052 330 W CA -0.503 56.875 57.345 0.055 0.000 1.223 330 W CB 0.949 30.454 29.460 0.075 0.000 1.383 330 W HN 0.459 nan 8.180 nan 0.000 0.524 331 D N 1.926 122.437 120.400 0.186 0.000 2.757 331 D HA 0.392 5.031 4.640 -0.001 0.000 0.249 331 D C -1.510 174.851 176.300 0.101 0.000 1.168 331 D CA -0.403 53.651 54.000 0.090 0.000 0.870 331 D CB 1.620 42.431 40.800 0.018 0.000 1.411 331 D HN 0.391 nan 8.370 nan 0.000 0.525 332 c N 5.303 123.944 118.600 0.068 0.000 2.301 332 c HA 0.405 4.975 4.570 -0.001 0.000 0.313 332 c C -2.275 171.836 174.090 0.034 0.000 1.121 332 c CA -1.480 54.887 56.329 0.064 0.000 1.507 332 c CB -0.008 42.542 42.510 0.066 0.000 1.975 332 c HN 0.420 nan 8.230 nan 0.000 0.425 333 P HA 0.085 nan 4.420 nan 0.000 0.267 333 P C 0.847 178.150 177.300 0.004 0.000 1.209 333 P CA 0.104 63.214 63.100 0.016 0.000 0.763 333 P CB 0.626 32.342 31.700 0.027 0.000 0.816 334 K N 1.285 121.673 120.400 -0.020 0.000 2.515 334 K HA -0.090 4.230 4.320 -0.001 0.000 0.196 334 K C 1.124 177.690 176.600 -0.057 0.000 1.038 334 K CA 1.361 57.625 56.287 -0.040 0.000 0.967 334 K CB -0.637 31.832 32.500 -0.053 0.000 0.780 334 K HN 0.429 nan 8.250 nan 0.000 0.483 335 T N -1.885 112.643 114.554 -0.043 0.000 3.055 335 T HA -0.063 4.287 4.350 -0.001 0.000 0.265 335 T C 1.459 176.111 174.700 -0.081 0.000 1.111 335 T CA 0.584 62.648 62.100 -0.060 0.000 1.118 335 T CB -0.002 68.850 68.868 -0.027 0.000 0.909 335 T HN 0.361 nan 8.240 nan 0.000 0.501 336 Q N 0.542 120.332 119.800 -0.017 0.000 2.201 336 Q HA 0.274 4.614 4.340 -0.001 0.000 0.217 336 Q C -0.487 175.571 176.000 0.097 0.000 0.860 336 Q CA -0.143 55.710 55.803 0.083 0.000 0.984 336 Q CB 0.495 29.330 28.738 0.161 0.000 1.095 336 Q HN 0.625 nan 8.270 nan 0.000 0.477 337 E N 0.437 120.594 120.200 -0.071 0.000 2.146 337 E HA 0.171 4.521 4.350 -0.001 0.000 0.282 337 E C -1.130 175.366 176.600 -0.173 0.000 0.989 337 E CA -0.371 56.017 56.400 -0.020 0.000 0.799 337 E CB 0.733 30.413 29.700 -0.034 0.000 1.088 337 E HN 0.214 nan 8.360 nan 0.000 0.397 338 H N 2.645 121.741 119.070 0.043 0.000 2.718 338 H HA 0.285 4.841 4.556 -0.001 0.000 0.295 338 H C -0.361 174.957 175.328 -0.018 0.000 1.051 338 H CA -0.460 55.602 56.048 0.024 0.000 1.260 338 H CB 0.320 30.140 29.762 0.096 0.000 1.403 338 H HN 0.371 nan 8.280 nan 0.000 0.488 339 I N 2.416 122.991 120.570 0.008 0.000 2.533 339 I HA 0.013 4.182 4.170 -0.001 0.000 0.284 339 I C 0.533 176.593 176.117 -0.095 0.000 1.109 339 I CA 0.489 61.769 61.300 -0.034 0.000 1.412 339 I CB 0.469 38.435 38.000 -0.057 0.000 1.396 339 I HN 0.586 nan 8.210 nan 0.000 0.543 340 E N 7.950 128.087 120.200 -0.105 0.000 2.155 340 E HA 0.331 4.680 4.350 -0.001 0.000 0.264 340 E C -1.073 175.450 176.600 -0.128 0.000 0.886 340 E CA -0.603 55.681 56.400 -0.192 0.000 0.752 340 E CB 1.030 30.596 29.700 -0.223 0.000 1.133 340 E HN 0.688 nan 8.360 nan 0.000 0.414 341 E N 2.059 122.173 120.200 -0.143 0.000 2.359 341 E HA 0.528 4.878 4.350 -0.001 0.000 0.266 341 E C -1.123 175.391 176.600 -0.144 0.000 0.920 341 E CA -1.128 55.202 56.400 -0.117 0.000 0.788 341 E CB 1.956 31.600 29.700 -0.093 0.000 1.279 341 E HN 0.204 nan 8.360 nan 0.000 0.438 342 S N 0.122 115.716 115.700 -0.177 0.000 2.502 342 S HA 0.369 4.839 4.470 -0.001 0.000 0.304 342 S C 0.012 174.466 174.600 -0.244 0.000 1.097 342 S CA -0.676 57.370 58.200 -0.256 0.000 1.045 342 S CB 1.336 64.255 63.200 -0.468 0.000 1.019 342 S HN 0.611 nan 8.310 nan 0.000 0.481 343 R N 2.304 122.687 120.500 -0.196 0.000 2.276 343 R HA 0.244 4.583 4.340 -0.001 0.000 0.196 343 R C 1.245 177.445 176.300 -0.165 0.000 0.961 343 R CA 0.957 56.973 56.100 -0.140 0.000 1.024 343 R CB 0.117 30.366 30.300 -0.086 0.000 0.940 343 R HN 0.656 nan 8.270 nan 0.000 0.480 344 T N -2.161 112.213 114.554 -0.299 0.000 2.987 344 T HA 0.351 4.700 4.350 -0.001 0.000 0.248 344 T C 0.537 174.813 174.700 -0.707 0.000 0.997 344 T CA 0.484 62.399 62.100 -0.308 0.000 1.013 344 T CB 1.131 69.904 68.868 -0.158 0.000 1.077 344 T HN 0.386 nan 8.240 nan 0.000 0.483 345 G N 0.432 108.365 108.800 -1.445 0.000 3.253 345 G HA2 0.529 4.489 3.960 -0.001 0.000 0.175 345 G HA3 0.529 4.489 3.960 -0.001 0.000 0.175 345 G C -1.661 172.155 174.900 -1.807 0.000 1.098 345 G CA -0.789 42.858 45.100 -2.421 0.000 0.790 345 G HN 0.389 nan 8.290 nan 0.000 0.648 346 W N 0.107 120.609 121.300 -1.330 0.000 2.438 346 W HA 0.782 5.441 4.660 -0.001 0.000 0.324 346 W C 0.168 176.479 176.519 -0.348 0.000 1.119 346 W CA -1.226 55.754 57.345 -0.608 0.000 1.221 346 W CB 1.116 30.333 29.460 -0.406 0.000 1.253 346 W HN 0.602 nan 8.180 nan 0.000 0.555 347 A N 4.073 126.866 122.820 -0.044 0.000 2.505 347 A HA 0.537 4.856 4.320 -0.001 0.000 0.271 347 A C 0.952 178.600 177.584 0.108 0.000 1.112 347 A CA 1.066 53.097 52.037 -0.010 0.000 0.781 347 A CB -1.226 17.770 19.000 -0.007 0.000 1.059 347 A HN 2.108 nan 8.150 nan 0.000 0.508 348 G N 1.569 110.442 108.800 0.123 0.000 2.428 348 G HA2 0.348 4.307 3.960 -0.001 0.000 0.202 348 G HA3 0.348 4.307 3.960 -0.001 0.000 0.202 348 G C 0.504 175.548 174.900 0.240 0.000 1.247 348 G CA -0.096 45.110 45.100 0.175 0.000 1.020 348 G HN 1.665 nan 8.290 nan 0.000 0.529 349 G N -1.417 107.536 108.800 0.254 0.000 3.329 349 G HA2 0.532 4.491 3.960 -0.001 0.000 0.180 349 G HA3 0.532 4.491 3.960 -0.001 0.000 0.180 349 G C 1.179 176.285 174.900 0.343 0.000 1.640 349 G CA 0.856 46.123 45.100 0.278 0.000 1.018 349 G HN 1.056 nan 8.290 nan 0.000 0.581 350 F N 0.108 120.106 119.950 0.080 0.000 2.075 350 F HA 0.245 4.772 4.527 -0.001 0.000 0.297 350 F C 0.719 176.325 175.800 -0.323 0.000 1.113 350 F CA 0.850 58.751 58.000 -0.164 0.000 1.218 350 F CB -0.025 38.769 39.000 -0.345 0.000 0.984 350 F HN 0.057 nan 8.300 nan 0.000 0.472 351 F N -0.644 119.504 119.950 0.330 0.000 2.450 351 F HA 0.440 4.967 4.527 -0.001 0.000 0.328 351 F C 0.121 175.972 175.800 0.085 0.000 1.068 351 F CA -1.461 56.622 58.000 0.137 0.000 1.007 351 F CB 0.640 39.708 39.000 0.113 0.000 1.251 351 F HN -0.513 nan 8.300 nan 0.000 0.492 352 V N 1.470 121.526 119.914 0.236 0.000 2.763 352 V HA 0.058 4.177 4.120 -0.001 0.000 0.306 352 V C 0.138 176.306 176.094 0.124 0.000 1.059 352 V CA -0.516 61.871 62.300 0.144 0.000 1.138 352 V CB 0.678 32.550 31.823 0.082 0.000 0.940 352 V HN 0.805 nan 8.190 nan 0.000 0.489 353 S N 2.870 118.638 115.700 0.114 0.000 2.537 353 S HA 0.481 4.950 4.470 -0.001 0.000 0.275 353 S C 0.099 174.719 174.600 0.033 0.000 1.272 353 S CA -0.467 57.782 58.200 0.082 0.000 1.050 353 S CB 1.152 64.426 63.200 0.124 0.000 0.961 353 S HN 0.985 nan 8.310 nan 0.000 0.496 354 T N -0.085 114.457 114.554 -0.019 0.000 2.882 354 T HA 0.584 4.934 4.350 -0.001 0.000 0.287 354 T C -2.772 171.927 174.700 -0.001 0.000 1.014 354 T CA -1.803 60.291 62.100 -0.010 0.000 1.049 354 T CB 0.489 69.344 68.868 -0.021 0.000 1.001 354 T HN 0.547 nan 8.240 nan 0.000 0.525 355 P HA 0.438 nan 4.420 nan 0.000 0.288 355 P C -1.116 176.149 177.300 -0.057 0.000 1.267 355 P CA -0.681 62.296 63.100 -0.205 0.000 0.815 355 P CB 1.135 32.370 31.700 -0.776 0.000 0.989 356 V N 3.912 123.843 119.914 0.028 0.000 2.357 356 V HA 0.319 4.439 4.120 -0.001 0.000 0.284 356 V C 0.054 176.283 176.094 0.225 0.000 1.018 356 V CA -0.489 61.921 62.300 0.184 0.000 0.841 356 V CB 0.202 32.148 31.823 0.207 0.000 0.991 356 V HN 0.350 nan 8.190 nan 0.000 0.437 357 F N 3.127 123.256 119.950 0.299 0.000 2.427 357 F HA 0.394 4.921 4.527 -0.001 0.000 0.352 357 F C 1.383 177.411 175.800 0.378 0.000 1.100 357 F CA 0.032 58.230 58.000 0.330 0.000 1.191 357 F CB 1.350 40.487 39.000 0.228 0.000 1.128 357 F HN 0.650 nan 8.300 nan 0.000 0.533 358 S N 2.681 118.733 115.700 0.586 0.000 2.598 358 S HA -0.054 4.415 4.470 -0.001 0.000 0.256 358 S C 0.909 175.810 174.600 0.503 0.000 1.350 358 S CA -0.429 58.117 58.200 0.577 0.000 0.984 358 S CB 0.280 63.853 63.200 0.622 0.000 0.930 358 S HN 0.612 nan 8.310 nan 0.000 0.577 359 Y N 1.675 122.143 120.300 0.280 0.000 2.403 359 Y HA -0.090 4.459 4.550 -0.001 0.000 0.291 359 Y C 2.052 178.075 175.900 0.204 0.000 1.143 359 Y CA 1.817 60.051 58.100 0.223 0.000 1.257 359 Y CB -0.549 38.018 38.460 0.178 0.000 0.984 359 Y HN 0.862 nan 8.280 nan 0.000 0.550 360 D N -0.820 119.766 120.400 0.309 0.000 2.378 360 D HA -0.006 4.634 4.640 -0.001 0.000 0.227 360 D C 1.371 177.778 176.300 0.179 0.000 1.012 360 D CA 0.849 54.978 54.000 0.215 0.000 0.905 360 D CB -0.679 40.250 40.800 0.216 0.000 0.895 360 D HN 0.189 nan 8.370 nan 0.000 0.532 361 A N -0.470 122.475 122.820 0.208 0.000 2.826 361 A HA -0.267 4.053 4.320 -0.001 0.000 0.274 361 A C 1.041 178.740 177.584 0.191 0.000 1.443 361 A CA 1.402 53.540 52.037 0.168 0.000 0.833 361 A CB -2.474 16.563 19.000 0.060 0.000 1.023 361 A HN 0.567 nan 8.150 nan 0.000 0.600 362 I N -1.188 119.548 120.570 0.276 0.000 3.650 362 I HA 0.175 4.345 4.170 -0.001 0.000 0.261 362 I C 1.221 177.553 176.117 0.358 0.000 1.154 362 I CA 0.927 62.392 61.300 0.275 0.000 1.418 362 I CB 0.504 38.604 38.000 0.167 0.000 1.539 362 I HN 0.613 nan 8.210 nan 0.000 0.449 363 S N 0.400 116.211 115.700 0.185 0.000 2.617 363 S HA 0.422 4.891 4.470 -0.001 0.000 0.269 363 S C -0.647 173.923 174.600 -0.051 0.000 1.292 363 S CA -0.332 57.785 58.200 -0.138 0.000 1.010 363 S CB 0.996 63.954 63.200 -0.402 0.000 0.944 363 S HN 0.401 nan 8.310 nan 0.000 0.536 364 Y N -2.143 117.882 120.300 -0.457 0.000 2.615 364 Y HA 0.726 5.276 4.550 -0.001 0.000 0.341 364 Y C -1.878 173.779 175.900 -0.406 0.000 1.089 364 Y CA -1.886 55.942 58.100 -0.455 0.000 1.049 364 Y CB 0.675 38.516 38.460 -1.032 0.000 1.296 364 Y HN 0.586 nan 8.280 nan 0.000 0.470 365 Y N 1.355 121.736 120.300 0.135 0.000 2.331 365 Y HA 0.588 5.138 4.550 -0.001 0.000 0.338 365 Y C -0.224 175.758 175.900 0.135 0.000 0.976 365 Y CA -0.793 57.385 58.100 0.131 0.000 1.137 365 Y CB 1.962 40.497 38.460 0.124 0.000 1.172 365 Y HN 0.611 nan 8.280 nan 0.000 0.478 366 K N 3.755 124.302 120.400 0.245 0.000 2.507 366 K HA 0.557 4.876 4.320 -0.001 0.000 0.251 366 K C -1.410 175.220 176.600 0.051 0.000 0.943 366 K CA -0.457 55.965 56.287 0.226 0.000 0.794 366 K CB 1.125 33.873 32.500 0.414 0.000 1.188 366 K HN 0.697 nan 8.250 nan 0.000 0.428 367 I N 6.606 127.211 120.570 0.058 0.000 2.533 367 I HA 0.218 4.387 4.170 -0.001 0.000 0.284 367 I C -0.330 175.833 176.117 0.076 0.000 1.109 367 I CA 0.105 61.395 61.300 -0.016 0.000 1.412 367 I CB -0.179 37.844 38.000 0.038 0.000 1.396 367 I HN 0.573 nan 8.210 nan 0.000 0.543 368 F N 2.091 122.089 119.950 0.081 0.000 2.877 368 F HA 0.455 4.981 4.527 -0.001 0.000 0.319 368 F C -0.442 175.356 175.800 -0.003 0.000 1.174 368 F CA -1.424 56.575 58.000 -0.002 0.000 0.903 368 F CB 0.431 39.390 39.000 -0.068 0.000 1.357 368 F HN 0.044 nan 8.300 nan 0.000 0.472 369 S N 2.206 118.097 115.700 0.317 0.000 2.509 369 S HA 0.185 4.654 4.470 -0.001 0.000 0.287 369 S C -0.178 174.580 174.600 0.262 0.000 1.248 369 S CA -0.268 58.037 58.200 0.175 0.000 1.089 369 S CB -0.592 62.659 63.200 0.085 0.000 0.900 369 S HN 0.725 nan 8.310 nan 0.000 0.496 370 D N 3.532 124.082 120.400 0.250 0.000 2.274 370 D HA 0.047 4.686 4.640 -0.001 0.000 0.256 370 D C 0.911 177.324 176.300 0.188 0.000 1.274 370 D CA -0.068 54.114 54.000 0.303 0.000 0.998 370 D CB 0.382 41.338 40.800 0.261 0.000 1.139 370 D HN 0.342 nan 8.370 nan 0.000 0.540 371 K N -1.237 119.259 120.400 0.160 0.000 2.217 371 K HA -0.034 4.286 4.320 -0.001 0.000 0.202 371 K C 1.003 177.654 176.600 0.083 0.000 1.051 371 K CA 0.956 57.303 56.287 0.101 0.000 0.952 371 K CB 0.079 32.628 32.500 0.082 0.000 0.736 371 K HN 0.368 nan 8.250 nan 0.000 0.453 372 D N -0.766 119.702 120.400 0.114 0.000 2.339 372 D HA 0.034 4.673 4.640 -0.001 0.000 0.217 372 D C 1.011 177.384 176.300 0.122 0.000 1.050 372 D CA 0.774 54.855 54.000 0.135 0.000 0.856 372 D CB 1.047 41.958 40.800 0.185 0.000 0.922 372 D HN 0.404 nan 8.370 nan 0.000 0.518 373 G N 0.513 109.352 108.800 0.065 0.000 2.179 373 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.220 373 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.220 373 G C -0.095 174.671 174.900 -0.223 0.000 0.990 373 G CA -0.441 44.602 45.100 -0.095 0.000 0.646 373 G HN 0.296 nan 8.290 nan 0.000 0.517 374 Y N 1.337 121.586 120.300 -0.085 0.000 2.326 374 Y HA 0.538 5.087 4.550 -0.001 0.000 0.337 374 Y C 0.989 176.748 175.900 -0.235 0.000 1.023 374 Y CA -0.597 57.392 58.100 -0.186 0.000 1.143 374 Y CB 1.069 39.403 38.460 -0.210 0.000 1.183 374 Y HN -0.048 nan 8.280 nan 0.000 0.485 375 K N 3.945 124.237 120.400 -0.180 0.000 2.378 375 K HA 0.214 4.533 4.320 -0.001 0.000 0.288 375 K C -0.992 175.373 176.600 -0.392 0.000 1.057 375 K CA 0.244 56.434 56.287 -0.161 0.000 0.971 375 K CB 0.184 32.636 32.500 -0.078 0.000 0.975 375 K HN 0.721 nan 8.250 nan 0.000 0.475 376 H N 0.557 119.548 119.070 -0.131 0.000 2.949 376 H HA 0.378 4.934 4.556 -0.001 0.000 0.356 376 H C -0.472 174.693 175.328 -0.271 0.000 1.212 376 H CA -1.000 54.880 56.048 -0.280 0.000 1.136 376 H CB 1.395 30.908 29.762 -0.415 0.000 1.869 376 H HN 0.336 nan 8.280 nan 0.000 0.556 377 I N 1.843 122.307 120.570 -0.175 0.000 2.496 377 I HA 0.103 4.272 4.170 -0.001 0.000 0.285 377 I C -0.301 175.645 176.117 -0.285 0.000 1.080 377 I CA 0.419 61.609 61.300 -0.184 0.000 1.404 377 I CB 0.223 38.108 38.000 -0.191 0.000 1.403 377 I HN 0.402 nan 8.210 nan 0.000 0.539 378 H N 4.180 123.059 119.070 -0.319 0.000 2.679 378 H HA 0.355 4.911 4.556 -0.001 0.000 0.367 378 H C -1.277 174.013 175.328 -0.065 0.000 1.162 378 H CA -0.559 55.346 56.048 -0.239 0.000 1.181 378 H CB 1.514 31.001 29.762 -0.458 0.000 1.693 378 H HN 0.435 nan 8.280 nan 0.000 0.538 379 Y N 2.847 123.073 120.300 -0.123 0.000 2.417 379 Y HA 0.377 4.927 4.550 -0.001 0.000 0.336 379 Y C -0.919 174.778 175.900 -0.338 0.000 0.961 379 Y CA -0.910 56.942 58.100 -0.413 0.000 1.215 379 Y CB 0.065 38.262 38.460 -0.438 0.000 1.120 379 Y HN 0.526 nan 8.280 nan 0.000 0.499 380 I N 7.618 127.704 120.570 -0.806 0.000 2.322 380 I HA 0.165 4.334 4.170 -0.001 0.000 0.292 380 I C 0.982 176.457 176.117 -1.069 0.000 1.060 380 I CA -0.076 60.732 61.300 -0.820 0.000 1.309 380 I CB 1.304 38.753 38.000 -0.917 0.000 1.415 380 I HN 0.651 nan 8.210 nan 0.000 0.492 381 K N 3.868 123.821 120.400 -0.744 0.000 2.128 381 K HA -0.065 4.255 4.320 -0.001 0.000 0.202 381 K C 0.841 177.284 176.600 -0.261 0.000 1.050 381 K CA 1.394 57.333 56.287 -0.580 0.000 0.966 381 K CB 0.396 32.705 32.500 -0.318 0.000 0.759 381 K HN 0.828 nan 8.250 nan 0.000 0.454 382 D N -2.636 117.683 120.400 -0.136 0.000 1.979 382 D HA 0.014 4.654 4.640 -0.001 0.000 0.399 382 D C -0.105 176.282 176.300 0.144 0.000 1.016 382 D CA 0.054 54.074 54.000 0.033 0.000 0.928 382 D CB 0.442 41.250 40.800 0.013 0.000 1.739 382 D HN -0.001 nan 8.370 nan 0.000 0.537 383 T N 0.097 114.689 114.554 0.063 0.000 2.901 383 T HA 0.464 4.813 4.350 -0.001 0.000 0.293 383 T C 1.324 176.068 174.700 0.073 0.000 1.084 383 T CA -0.400 61.735 62.100 0.059 0.000 1.008 383 T CB 2.657 71.516 68.868 -0.015 0.000 1.170 383 T HN -0.190 nan 8.240 nan 0.000 0.509 384 V N 1.133 121.087 119.914 0.067 0.000 2.307 384 V HA -0.171 3.949 4.120 -0.001 0.000 0.245 384 V C 2.458 178.552 176.094 -0.001 0.000 1.045 384 V CA 2.170 64.482 62.300 0.020 0.000 1.024 384 V CB -1.013 30.784 31.823 -0.043 0.000 0.651 384 V HN 0.992 nan 8.190 nan 0.000 0.449 385 E N 0.757 120.951 120.200 -0.009 0.000 2.204 385 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 385 E C 1.857 178.468 176.600 0.019 0.000 0.989 385 E CA 1.221 57.622 56.400 0.002 0.000 0.824 385 E CB -0.496 29.198 29.700 -0.011 0.000 0.756 385 E HN 0.565 nan 8.360 nan 0.000 0.477 386 N N 0.876 119.583 118.700 0.011 0.000 2.449 386 N HA 0.076 4.815 4.740 -0.001 0.000 0.191 386 N C -0.368 175.149 175.510 0.011 0.000 1.161 386 N CA 0.198 53.253 53.050 0.009 0.000 0.863 386 N CB 0.151 38.635 38.487 -0.005 0.000 0.980 386 N HN 0.206 nan 8.380 nan 0.000 0.458 387 A N 1.023 123.866 122.820 0.038 0.000 2.445 387 A HA 0.205 4.525 4.320 -0.001 0.000 0.242 387 A C 0.165 177.820 177.584 0.119 0.000 1.075 387 A CA -0.068 52.013 52.037 0.073 0.000 0.777 387 A CB 0.473 19.587 19.000 0.191 0.000 1.013 387 A HN 0.283 nan 8.150 nan 0.000 0.493 388 I N 1.612 122.247 120.570 0.109 0.000 2.378 388 I HA 0.228 4.398 4.170 -0.001 0.000 0.291 388 I C 0.051 176.167 176.117 -0.001 0.000 0.992 388 I CA -0.330 61.019 61.300 0.081 0.000 1.154 388 I CB 1.358 39.412 38.000 0.090 0.000 1.315 388 I HN 0.897 nan 8.210 nan 0.000 0.448 389 Q N 5.965 125.684 119.800 -0.135 0.000 2.304 389 Q HA 0.196 4.536 4.340 -0.001 0.000 0.260 389 Q C -0.060 175.749 176.000 -0.317 0.000 0.965 389 Q CA -0.200 55.309 55.803 -0.491 0.000 0.898 389 Q CB 1.324 29.786 28.738 -0.460 0.000 1.196 389 Q HN 0.631 nan 8.270 nan 0.000 0.402 390 I N 1.551 121.906 120.570 -0.358 0.000 3.300 390 I HA 0.031 4.201 4.170 -0.001 0.000 0.279 390 I C 1.009 176.968 176.117 -0.264 0.000 1.172 390 I CA 0.723 61.895 61.300 -0.214 0.000 1.431 390 I CB -0.336 37.603 38.000 -0.101 0.000 1.240 390 I HN 0.604 nan 8.210 nan 0.000 0.453 391 T N 0.470 114.794 114.554 -0.384 0.000 2.940 391 T HA 0.714 5.064 4.350 -0.001 0.000 0.288 391 T C -0.025 174.117 174.700 -0.932 0.000 1.033 391 T CA -0.553 61.272 62.100 -0.459 0.000 1.033 391 T CB 2.407 71.073 68.868 -0.337 0.000 1.079 391 T HN 0.275 nan 8.240 nan 0.000 0.496 392 S N -0.567 114.467 115.700 -1.109 0.000 2.643 392 S HA 0.940 5.410 4.470 -0.001 0.000 0.270 392 S C 0.039 174.086 174.600 -0.922 0.000 1.166 392 S CA -0.254 57.223 58.200 -1.204 0.000 0.815 392 S CB 1.235 64.139 63.200 -0.494 0.000 1.139 392 S HN 2.370 nan 8.310 nan 0.000 0.472 393 G N 0.718 109.169 108.800 -0.581 0.000 2.409 393 G HA2 0.056 4.016 3.960 -0.001 0.000 0.421 393 G HA3 0.056 4.016 3.960 -0.001 0.000 0.421 393 G C -1.451 173.088 174.900 -0.602 0.000 1.259 393 G CA -0.794 44.109 45.100 -0.328 0.000 1.011 393 G HN 0.779 nan 8.290 nan 0.000 0.497 394 K N 1.651 121.831 120.400 -0.367 0.000 2.518 394 K HA 0.304 4.624 4.320 -0.001 0.000 0.244 394 K C -0.050 176.564 176.600 0.023 0.000 1.232 394 K CA 0.077 55.998 56.287 -0.610 0.000 1.189 394 K CB -0.010 32.362 32.500 -0.214 0.000 1.737 394 K HN 0.599 nan 8.250 nan 0.000 0.333 395 W N -0.156 121.091 121.300 -0.088 0.000 2.804 395 W HA 0.321 4.980 4.660 -0.001 0.000 0.420 395 W C -1.531 175.020 176.519 0.054 0.000 1.049 395 W CA -0.712 56.701 57.345 0.114 0.000 1.133 395 W CB 0.395 29.909 29.460 0.090 0.000 1.478 395 W HN -0.091 nan 8.180 nan 0.000 0.581 396 E N 0.768 121.169 120.200 0.336 0.000 2.272 396 E HA 0.513 4.862 4.350 -0.001 0.000 0.269 396 E C -0.759 176.001 176.600 0.268 0.000 0.877 396 E CA -0.858 55.517 56.400 -0.042 0.000 0.755 396 E CB 2.832 32.587 29.700 0.092 0.000 1.192 396 E HN 0.527 nan 8.360 nan 0.000 0.422 397 A N 3.266 126.101 122.820 0.026 0.000 2.395 397 A HA 0.168 4.488 4.320 -0.001 0.000 0.286 397 A C 0.623 178.315 177.584 0.181 0.000 1.193 397 A CA 0.007 52.208 52.037 0.275 0.000 0.852 397 A CB -0.328 18.709 19.000 0.062 0.000 1.118 397 A HN 0.609 nan 8.150 nan 0.000 0.524 398 I N 1.865 122.564 120.570 0.213 0.000 2.339 398 I HA 0.002 4.172 4.170 -0.001 0.000 0.245 398 I C 0.570 176.743 176.117 0.094 0.000 1.096 398 I CA 1.032 62.398 61.300 0.110 0.000 1.408 398 I CB 0.037 38.001 38.000 -0.061 0.000 1.092 398 I HN 0.585 nan 8.210 nan 0.000 0.423 399 N N -0.113 118.644 118.700 0.096 0.000 2.369 399 N HA 0.414 5.154 4.740 -0.001 0.000 0.287 399 N C -1.189 174.292 175.510 -0.049 0.000 1.067 399 N CA -0.425 52.580 53.050 -0.076 0.000 0.888 399 N CB 2.422 40.702 38.487 -0.344 0.000 1.616 399 N HN -0.134 nan 8.380 nan 0.000 0.482 400 I N 2.561 123.096 120.570 -0.059 0.000 2.337 400 I HA 0.198 4.368 4.170 -0.001 0.000 0.291 400 I C 0.706 176.766 176.117 -0.094 0.000 1.046 400 I CA -0.176 61.144 61.300 0.034 0.000 1.324 400 I CB 0.337 38.377 38.000 0.067 0.000 1.409 400 I HN 0.508 nan 8.210 nan 0.000 0.494 401 F N 4.064 124.060 119.950 0.077 0.000 2.437 401 F HA 0.241 4.767 4.527 -0.001 0.000 0.288 401 F C 1.011 176.671 175.800 -0.233 0.000 1.085 401 F CA 0.257 58.244 58.000 -0.020 0.000 1.430 401 F CB 0.280 39.292 39.000 0.020 0.000 1.120 401 F HN 0.319 nan 8.300 nan 0.000 0.556 402 R N -0.389 120.062 120.500 -0.082 0.000 2.536 402 R HA 0.515 4.854 4.340 -0.001 0.000 0.269 402 R C -1.972 174.332 176.300 0.007 0.000 1.113 402 R CA -0.511 55.480 56.100 -0.182 0.000 0.948 402 R CB 1.683 31.547 30.300 -0.727 0.000 1.237 402 R HN -0.230 nan 8.270 nan 0.000 0.441 403 V N 4.011 123.960 119.914 0.058 0.000 2.378 403 V HA 0.534 4.654 4.120 -0.001 0.000 0.288 403 V C 0.039 176.215 176.094 0.137 0.000 1.016 403 V CA -0.389 61.949 62.300 0.063 0.000 0.840 403 V CB 1.752 33.645 31.823 0.116 0.000 0.994 403 V HN 0.881 nan 8.190 nan 0.000 0.431 404 T N 2.795 117.389 114.554 0.065 0.000 2.893 404 T HA 0.191 4.541 4.350 -0.001 0.000 0.281 404 T C 1.081 175.708 174.700 -0.122 0.000 1.027 404 T CA -0.394 61.706 62.100 -0.000 0.000 0.953 404 T CB 1.082 69.960 68.868 0.016 0.000 1.434 404 T HN 0.596 nan 8.240 nan 0.000 0.597 405 Q N 0.333 119.909 119.800 -0.375 0.000 2.124 405 Q HA -0.140 4.200 4.340 -0.001 0.000 0.202 405 Q C 0.524 176.456 176.000 -0.113 0.000 0.977 405 Q CA 1.774 57.382 55.803 -0.326 0.000 0.850 405 Q CB 0.086 28.588 28.738 -0.392 0.000 0.901 405 Q HN 0.689 nan 8.270 nan 0.000 0.429 406 D N -2.638 117.701 120.400 -0.101 0.000 2.562 406 D HA 0.160 4.799 4.640 -0.001 0.000 0.246 406 D C -0.621 175.623 176.300 -0.094 0.000 1.347 406 D CA -0.168 53.787 54.000 -0.074 0.000 0.800 406 D CB 0.522 41.286 40.800 -0.060 0.000 1.111 406 D HN -0.165 nan 8.370 nan 0.000 0.508 407 S N 0.053 115.690 115.700 -0.104 0.000 2.540 407 S HA 0.630 5.100 4.470 -0.001 0.000 0.275 407 S C -1.351 173.121 174.600 -0.214 0.000 1.123 407 S CA -0.812 57.283 58.200 -0.176 0.000 0.907 407 S CB 2.279 65.412 63.200 -0.113 0.000 1.081 407 S HN 0.264 nan 8.310 nan 0.000 0.476 408 L N 2.644 123.661 121.223 -0.343 0.000 2.385 408 L HA 0.704 5.044 4.340 -0.001 0.000 0.273 408 L C -1.997 174.686 176.870 -0.312 0.000 0.990 408 L CA -0.667 54.014 54.840 -0.266 0.000 0.821 408 L CB 0.926 42.790 42.059 -0.324 0.000 1.279 408 L HN 0.633 nan 8.230 nan 0.000 0.412 409 F N 5.125 125.055 119.950 -0.033 0.000 2.426 409 F HA 0.511 5.037 4.527 -0.001 0.000 0.348 409 F C -0.437 175.511 175.800 0.247 0.000 1.124 409 F CA -0.441 57.579 58.000 0.033 0.000 1.008 409 F CB 1.256 40.176 39.000 -0.133 0.000 1.139 409 F HN 0.371 nan 8.300 nan 0.000 0.452 410 Y N 0.102 120.584 120.300 0.303 0.000 2.553 410 Y HA 0.748 5.298 4.550 -0.001 0.000 0.347 410 Y C -0.766 175.371 175.900 0.395 0.000 1.019 410 Y CA -1.591 56.709 58.100 0.333 0.000 1.032 410 Y CB 1.202 39.766 38.460 0.174 0.000 1.284 410 Y HN 0.489 nan 8.280 nan 0.000 0.466 411 S N 1.797 117.768 115.700 0.451 0.000 2.617 411 S HA 0.804 5.274 4.470 -0.001 0.000 0.283 411 S C -0.341 174.431 174.600 0.287 0.000 1.189 411 S CA -0.003 58.389 58.200 0.320 0.000 1.036 411 S CB 1.446 64.897 63.200 0.419 0.000 1.014 411 S HN 1.347 nan 8.310 nan 0.000 0.522 412 S N 0.578 116.394 115.700 0.193 0.000 2.588 412 S HA 0.425 4.895 4.470 -0.001 0.000 0.269 412 S C -0.425 174.252 174.600 0.128 0.000 1.157 412 S CA -0.784 57.536 58.200 0.199 0.000 0.824 412 S CB 1.278 64.499 63.200 0.034 0.000 1.126 412 S HN 0.751 nan 8.310 nan 0.000 0.464 413 N N 0.768 119.588 118.700 0.201 0.000 2.336 413 N HA 0.200 4.939 4.740 -0.001 0.000 0.189 413 N C 1.204 176.780 175.510 0.111 0.000 1.113 413 N CA 0.377 53.534 53.050 0.178 0.000 0.858 413 N CB 0.162 38.840 38.487 0.318 0.000 0.970 413 N HN 0.669 nan 8.380 nan 0.000 0.471 414 E N -0.574 119.546 120.200 -0.135 0.000 2.033 414 E HA -0.096 4.254 4.350 -0.001 0.000 0.189 414 E C -0.302 176.245 176.600 -0.089 0.000 0.979 414 E CA 0.054 56.154 56.400 -0.501 0.000 0.802 414 E CB 0.001 28.861 29.700 -1.399 0.000 0.763 414 E HN 0.214 nan 8.360 nan 0.000 0.449 415 F N 3.143 123.058 119.950 -0.058 0.000 2.512 415 F HA -0.146 4.380 4.527 -0.001 0.000 0.406 415 F C 0.239 176.074 175.800 0.058 0.000 0.990 415 F CA 0.957 58.949 58.000 -0.014 0.000 1.137 415 F CB -0.344 38.626 39.000 -0.050 0.000 0.960 415 F HN 0.189 nan 8.300 nan 0.000 0.533 416 E N 2.940 122.931 120.200 -0.349 0.000 2.403 416 E HA -0.346 4.004 4.350 -0.001 0.000 0.241 416 E C 0.193 176.845 176.600 0.087 0.000 1.201 416 E CA 0.760 57.034 56.400 -0.210 0.000 0.721 416 E CB -1.504 27.954 29.700 -0.403 0.000 1.245 416 E HN 0.780 nan 8.360 nan 0.000 0.392 417 E N -2.616 117.617 120.200 0.055 0.000 2.440 417 E HA -0.247 4.102 4.350 -0.001 0.000 0.246 417 E C -1.036 175.566 176.600 0.003 0.000 1.165 417 E CA 1.165 57.611 56.400 0.076 0.000 0.726 417 E CB -1.440 28.312 29.700 0.087 0.000 1.271 417 E HN 0.534 nan 8.360 nan 0.000 0.397 418 Y N -1.133 119.121 120.300 -0.076 0.000 2.491 418 Y HA 0.280 4.829 4.550 -0.001 0.000 0.334 418 Y C -1.524 174.197 175.900 -0.298 0.000 0.969 418 Y CA -2.587 55.351 58.100 -0.270 0.000 1.241 418 Y CB 1.307 39.677 38.460 -0.150 0.000 1.105 418 Y HN -0.050 nan 8.280 nan 0.000 0.503 419 P HA -0.063 nan 4.420 nan 0.000 0.226 419 P C 1.352 178.585 177.300 -0.111 0.000 1.153 419 P CA 1.017 63.987 63.100 -0.217 0.000 0.777 419 P CB 0.477 31.957 31.700 -0.367 0.000 0.794 420 G N -0.374 108.335 108.800 -0.151 0.000 3.088 420 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.212 420 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.212 420 G C 0.393 175.398 174.900 0.175 0.000 1.173 420 G CA -0.235 44.887 45.100 0.036 0.000 0.779 420 G HN 0.292 nan 8.290 nan 0.000 0.540 421 R N -0.572 119.994 120.500 0.110 0.000 2.795 421 R HA 0.728 5.067 4.340 -0.001 0.000 0.275 421 R C -1.288 174.973 176.300 -0.066 0.000 0.981 421 R CA -1.066 55.102 56.100 0.114 0.000 0.917 421 R CB 1.500 31.869 30.300 0.116 0.000 1.202 421 R HN -0.154 nan 8.270 nan 0.000 0.469 422 R N 2.069 122.421 120.500 -0.246 0.000 2.451 422 R HA 0.372 4.711 4.340 -0.001 0.000 0.307 422 R C -1.075 175.192 176.300 -0.055 0.000 0.965 422 R CA -0.928 55.032 56.100 -0.232 0.000 0.865 422 R CB 1.491 31.489 30.300 -0.502 0.000 1.174 422 R HN 0.735 nan 8.270 nan 0.000 0.455 423 N N 1.077 119.773 118.700 -0.007 0.000 2.459 423 N HA 0.511 5.250 4.740 -0.001 0.000 0.288 423 N C -0.793 174.631 175.510 -0.144 0.000 1.186 423 N CA -0.696 52.273 53.050 -0.135 0.000 0.917 423 N CB 1.298 39.577 38.487 -0.346 0.000 1.219 423 N HN 0.360 nan 8.380 nan 0.000 0.525 424 I N 1.430 121.784 120.570 -0.360 0.000 2.354 424 I HA 0.304 4.473 4.170 -0.001 0.000 0.292 424 I C -1.323 174.535 176.117 -0.431 0.000 0.989 424 I CA -0.272 60.860 61.300 -0.279 0.000 1.188 424 I CB 0.388 38.227 38.000 -0.268 0.000 1.342 424 I HN 0.438 nan 8.210 nan 0.000 0.457 425 Y N 5.838 125.862 120.300 -0.459 0.000 2.429 425 Y HA 0.607 5.157 4.550 -0.001 0.000 0.342 425 Y C 0.097 175.744 175.900 -0.422 0.000 1.004 425 Y CA -0.683 57.087 58.100 -0.549 0.000 1.075 425 Y CB 1.646 39.472 38.460 -1.057 0.000 1.214 425 Y HN 0.363 nan 8.280 nan 0.000 0.455 426 R N 5.008 125.383 120.500 -0.208 0.000 2.409 426 R HA 0.623 4.963 4.340 -0.001 0.000 0.313 426 R C -1.548 174.629 176.300 -0.204 0.000 0.953 426 R CA -0.601 55.256 56.100 -0.406 0.000 0.849 426 R CB 0.644 30.640 30.300 -0.507 0.000 1.171 426 R HN 0.829 nan 8.270 nan 0.000 0.458 427 I N 0.755 121.222 120.570 -0.172 0.000 2.603 427 I HA 0.515 4.684 4.170 -0.001 0.000 0.300 427 I C 0.198 176.209 176.117 -0.177 0.000 1.017 427 I CA -0.924 60.318 61.300 -0.096 0.000 1.098 427 I CB 2.146 40.153 38.000 0.012 0.000 1.279 427 I HN 0.538 nan 8.210 nan 0.000 0.437 428 S N 6.083 121.703 115.700 -0.134 0.000 2.603 428 S HA 0.728 5.198 4.470 -0.001 0.000 0.268 428 S C -0.177 174.349 174.600 -0.124 0.000 1.317 428 S CA -0.545 57.579 58.200 -0.128 0.000 1.012 428 S CB 0.817 63.959 63.200 -0.096 0.000 0.926 428 S HN 0.774 nan 8.310 nan 0.000 0.539 429 I N -2.461 118.043 120.570 -0.110 0.000 2.802 429 I HA 0.762 4.932 4.170 -0.001 0.000 0.298 429 I C 0.796 176.886 176.117 -0.046 0.000 1.176 429 I CA -0.658 60.589 61.300 -0.089 0.000 1.025 429 I CB 1.426 39.355 38.000 -0.118 0.000 1.243 429 I HN 0.964 nan 8.210 nan 0.000 0.424 430 G N 3.544 112.326 108.800 -0.030 0.000 2.284 430 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.247 430 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.247 430 G C 0.204 175.116 174.900 0.020 0.000 1.012 430 G CA 0.382 45.481 45.100 -0.000 0.000 0.618 430 G HN 1.294 nan 8.290 nan 0.000 0.521 431 S N -0.308 115.401 115.700 0.015 0.000 2.651 431 S HA 0.745 5.214 4.470 -0.001 0.000 0.291 431 S C 0.481 175.134 174.600 0.089 0.000 1.141 431 S CA -0.075 58.150 58.200 0.041 0.000 1.027 431 S CB 2.447 65.652 63.200 0.008 0.000 1.043 431 S HN 0.848 nan 8.310 nan 0.000 0.530 432 Y N 2.807 123.094 120.300 -0.020 0.000 3.287 432 Y HA 0.238 4.788 4.550 -0.001 0.000 0.222 432 Y C -1.922 173.964 175.900 -0.022 0.000 0.849 432 Y CA -0.066 58.023 58.100 -0.020 0.000 0.934 432 Y CB -1.393 37.059 38.460 -0.013 0.000 1.133 432 Y HN 0.436 nan 8.280 nan 0.000 0.522 433 P HA -0.068 nan 4.420 nan 0.000 0.198 433 P C -2.487 174.568 177.300 -0.408 0.000 0.910 433 P CA -0.163 62.455 63.100 -0.804 0.000 1.202 433 P CB -0.972 30.484 31.700 -0.407 0.000 1.231 434 P HA 0.030 nan 4.420 nan 0.000 0.267 434 P C -0.217 177.000 177.300 -0.138 0.000 1.201 434 P CA 0.598 63.594 63.100 -0.173 0.000 0.775 434 P CB 0.539 32.168 31.700 -0.120 0.000 0.854 435 S N 1.276 116.917 115.700 -0.097 0.000 2.526 435 S HA 0.554 5.024 4.470 -0.001 0.000 0.293 435 S C -0.832 173.740 174.600 -0.047 0.000 1.092 435 S CA -0.866 57.289 58.200 -0.075 0.000 0.980 435 S CB 1.927 65.080 63.200 -0.079 0.000 1.048 435 S HN 0.347 nan 8.310 nan 0.000 0.483 436 K N 2.019 122.408 120.400 -0.019 0.000 2.463 436 K HA 0.408 4.728 4.320 -0.001 0.000 0.255 436 K C -1.514 175.090 176.600 0.007 0.000 0.942 436 K CA -0.456 55.850 56.287 0.030 0.000 0.814 436 K CB 1.452 34.005 32.500 0.088 0.000 1.122 436 K HN 0.729 nan 8.250 nan 0.000 0.425 437 K N 3.472 123.856 120.400 -0.027 0.000 2.397 437 K HA 0.269 4.589 4.320 -0.001 0.000 0.253 437 K C -1.430 175.054 176.600 -0.195 0.000 0.932 437 K CA -0.680 55.554 56.287 -0.088 0.000 0.795 437 K CB 1.677 34.119 32.500 -0.097 0.000 1.159 437 K HN 0.611 nan 8.250 nan 0.000 0.424 438 C N 5.923 125.030 119.300 -0.321 0.000 2.256 438 C HA 0.236 4.696 4.460 -0.001 0.000 0.333 438 C C 1.677 176.388 174.990 -0.466 0.000 1.183 438 C CA -0.643 57.973 59.018 -0.669 0.000 1.692 438 C CB -0.916 26.307 27.740 -0.862 0.000 2.274 438 C HN 0.809 nan 8.230 nan 0.000 0.509 439 V N 5.018 124.676 119.914 -0.427 0.000 2.295 439 V HA -0.149 3.971 4.120 -0.001 0.000 0.246 439 V C 2.463 178.313 176.094 -0.407 0.000 1.049 439 V CA 2.751 64.866 62.300 -0.308 0.000 1.024 439 V CB -0.961 30.728 31.823 -0.222 0.000 0.648 439 V HN 0.982 nan 8.190 nan 0.000 0.447 440 T N -4.632 109.562 114.554 -0.601 0.000 3.014 440 T HA -0.040 4.309 4.350 -0.001 0.000 0.250 440 T C 1.782 176.114 174.700 -0.613 0.000 1.060 440 T CA 0.786 62.451 62.100 -0.726 0.000 1.040 440 T CB -0.644 67.425 68.868 -1.332 0.000 0.971 440 T HN 0.393 nan 8.240 nan 0.000 0.497 441 C N 1.527 120.381 119.300 -0.744 0.000 2.396 441 C HA -0.106 4.353 4.460 -0.001 0.000 0.277 441 C C 2.010 176.414 174.990 -0.977 0.000 1.231 441 C CA 1.231 59.553 59.018 -1.159 0.000 1.775 441 C CB -1.283 25.601 27.740 -1.428 0.000 2.036 441 C HN 0.744 nan 8.230 nan 0.000 0.484 442 H N -2.224 116.605 119.070 -0.402 0.000 2.923 442 H HA 0.206 4.761 4.556 -0.001 0.000 0.268 442 H C 1.355 176.598 175.328 -0.143 0.000 1.148 442 H CA -0.381 55.546 56.048 -0.202 0.000 1.146 442 H CB 0.124 29.805 29.762 -0.135 0.000 1.607 442 H HN 0.168 nan 8.280 nan 0.000 0.566 443 L N 0.607 121.769 121.223 -0.101 0.000 1.971 443 L HA -0.089 4.250 4.340 -0.001 0.000 0.215 443 L C 0.134 177.002 176.870 -0.003 0.000 1.072 443 L CA 2.001 56.806 54.840 -0.059 0.000 0.758 443 L CB 0.164 42.156 42.059 -0.112 0.000 0.889 443 L HN 0.083 nan 8.230 nan 0.000 0.433 444 R N -1.213 119.298 120.500 0.017 0.000 2.576 444 R HA 0.145 4.484 4.340 -0.001 0.000 0.283 444 R C 0.740 177.043 176.300 0.005 0.000 1.493 444 R CA -0.117 55.994 56.100 0.018 0.000 1.170 444 R CB 1.071 31.381 30.300 0.016 0.000 1.189 444 R HN 0.015 nan 8.270 nan 0.000 0.542 445 K N 1.684 122.083 120.400 -0.003 0.000 2.044 445 K HA -0.227 4.093 4.320 -0.001 0.000 0.210 445 K C 1.312 177.911 176.600 -0.000 0.000 1.049 445 K CA 1.896 58.169 56.287 -0.023 0.000 0.927 445 K CB 0.275 32.797 32.500 0.036 0.000 0.713 445 K HN 0.499 nan 8.250 nan 0.000 0.443 446 E N -0.697 119.506 120.200 0.006 0.000 2.250 446 E HA -0.060 4.290 4.350 -0.001 0.000 0.192 446 E C 2.003 178.598 176.600 -0.009 0.000 0.986 446 E CA 0.143 56.543 56.400 -0.000 0.000 0.849 446 E CB 0.211 29.913 29.700 0.005 0.000 0.797 446 E HN 0.192 nan 8.360 nan 0.000 0.482 447 R N -0.480 120.010 120.500 -0.017 0.000 2.189 447 R HA 0.114 4.454 4.340 -0.001 0.000 0.203 447 R C -0.441 175.823 176.300 -0.061 0.000 1.012 447 R CA 0.414 56.492 56.100 -0.038 0.000 1.015 447 R CB 0.441 30.709 30.300 -0.053 0.000 0.938 447 R HN 0.095 nan 8.270 nan 0.000 0.472 448 c N 1.675 120.250 118.600 -0.041 0.000 2.407 448 c HA 0.437 5.007 4.570 -0.001 0.000 0.328 448 c C 0.084 174.195 174.090 0.035 0.000 1.137 448 c CA -0.715 55.564 56.329 -0.084 0.000 1.390 448 c CB 1.543 43.986 42.510 -0.111 0.000 1.989 448 c HN 0.391 nan 8.230 nan 0.000 0.432 449 Q N 0.874 120.686 119.800 0.020 0.000 2.103 449 Q HA 0.211 4.551 4.340 -0.001 0.000 0.219 449 Q C -0.987 175.109 176.000 0.161 0.000 0.784 449 Q CA 0.114 55.975 55.803 0.097 0.000 1.014 449 Q CB 0.792 29.563 28.738 0.055 0.000 1.183 449 Q HN 0.860 nan 8.270 nan 0.000 0.469 450 Y N 0.306 120.583 120.300 -0.038 0.000 2.373 450 Y HA 0.391 4.940 4.550 -0.001 0.000 0.327 450 Y C -1.523 174.369 175.900 -0.013 0.000 1.036 450 Y CA -0.826 57.297 58.100 0.039 0.000 1.265 450 Y CB 0.721 39.223 38.460 0.069 0.000 1.108 450 Y HN -0.098 nan 8.280 nan 0.000 0.471 451 Y N 2.339 122.654 120.300 0.025 0.000 2.509 451 Y HA 0.622 5.171 4.550 -0.001 0.000 0.341 451 Y C 0.428 176.379 175.900 0.086 0.000 1.038 451 Y CA -0.488 57.631 58.100 0.033 0.000 1.089 451 Y CB 2.523 40.918 38.460 -0.108 0.000 1.241 451 Y HN 0.472 nan 8.280 nan 0.000 0.468 452 T N 0.923 115.655 114.554 0.296 0.000 2.864 452 T HA 0.905 5.254 4.350 -0.001 0.000 0.289 452 T C -1.593 173.081 174.700 -0.044 0.000 1.082 452 T CA -0.553 61.698 62.100 0.251 0.000 1.009 452 T CB 1.111 70.315 68.868 0.561 0.000 1.234 452 T HN 0.781 nan 8.240 nan 0.000 0.526 453 A N 0.972 123.617 122.820 -0.292 0.000 2.475 453 A HA 0.760 5.079 4.320 -0.001 0.000 0.301 453 A C -0.771 176.838 177.584 0.042 0.000 1.059 453 A CA -0.637 51.173 52.037 -0.379 0.000 0.710 453 A CB 1.873 20.395 19.000 -0.797 0.000 1.288 453 A HN 0.739 nan 8.150 nan 0.000 0.408 454 S N 1.211 116.966 115.700 0.091 0.000 2.774 454 S HA 0.682 5.152 4.470 -0.001 0.000 0.297 454 S C -1.530 173.275 174.600 0.341 0.000 1.143 454 S CA -0.327 58.140 58.200 0.445 0.000 1.090 454 S CB -0.216 63.346 63.200 0.604 0.000 1.019 454 S HN 0.424 nan 8.310 nan 0.000 0.482 455 F N 3.641 123.689 119.950 0.162 0.000 2.410 455 F HA 0.415 4.942 4.527 -0.001 0.000 0.349 455 F C 1.297 176.663 175.800 -0.723 0.000 1.117 455 F CA -0.374 57.513 58.000 -0.188 0.000 1.104 455 F CB 1.558 40.460 39.000 -0.162 0.000 1.122 455 F HN 0.639 nan 8.300 nan 0.000 0.483 456 S N 1.515 116.440 115.700 -1.291 0.000 2.598 456 S HA 0.103 4.573 4.470 -0.001 0.000 0.256 456 S C -0.289 174.068 174.600 -0.406 0.000 1.350 456 S CA -1.070 56.315 58.200 -1.358 0.000 0.984 456 S CB 0.383 62.859 63.200 -1.206 0.000 0.930 456 S HN 0.494 nan 8.310 nan 0.000 0.577 457 D N 1.016 121.276 120.400 -0.233 0.000 2.488 457 D HA 0.141 4.781 4.640 -0.001 0.000 0.238 457 D C 0.105 176.319 176.300 -0.142 0.000 1.138 457 D CA 0.755 54.601 54.000 -0.256 0.000 0.873 457 D CB -0.525 40.068 40.800 -0.345 0.000 1.183 457 D HN 0.647 nan 8.370 nan 0.000 0.458 458 Y N 0.124 120.483 120.300 0.098 0.000 4.538 458 Y HA -0.314 4.236 4.550 -0.001 0.000 0.225 458 Y C 1.331 177.276 175.900 0.075 0.000 1.074 458 Y CA 0.514 58.683 58.100 0.115 0.000 1.942 458 Y CB -2.345 36.184 38.460 0.116 0.000 1.618 458 Y HN 0.646 nan 8.280 nan 0.000 0.642 459 A N -1.272 121.633 122.820 0.141 0.000 2.745 459 A HA -0.394 3.925 4.320 -0.001 0.000 0.296 459 A C 1.525 179.180 177.584 0.117 0.000 1.500 459 A CA 1.755 53.900 52.037 0.180 0.000 0.766 459 A CB -1.685 17.414 19.000 0.165 0.000 1.030 459 A HN 0.642 nan 8.150 nan 0.000 0.489 460 K N -1.798 118.631 120.400 0.047 0.000 2.097 460 K HA 0.106 4.426 4.320 -0.001 0.000 0.205 460 K C 0.044 176.384 176.600 -0.433 0.000 1.050 460 K CA 1.693 57.916 56.287 -0.106 0.000 0.938 460 K CB 0.009 32.542 32.500 0.056 0.000 0.718 460 K HN 0.722 nan 8.250 nan 0.000 0.442 461 Y N -1.077 119.177 120.300 -0.076 0.000 2.504 461 Y HA 0.271 4.821 4.550 -0.001 0.000 0.344 461 Y C -1.059 174.693 175.900 -0.247 0.000 1.023 461 Y CA -1.525 56.502 58.100 -0.121 0.000 1.020 461 Y CB 1.653 40.111 38.460 -0.005 0.000 1.282 461 Y HN -0.063 nan 8.280 nan 0.000 0.454 462 Y N 0.012 120.209 120.300 -0.171 0.000 2.545 462 Y HA 0.970 5.520 4.550 -0.001 0.000 0.348 462 Y C -1.067 174.752 175.900 -0.135 0.000 1.002 462 Y CA -1.900 55.929 58.100 -0.451 0.000 1.039 462 Y CB 1.272 38.817 38.460 -1.525 0.000 1.271 462 Y HN 0.693 nan 8.280 nan 0.000 0.467 463 A N 3.349 126.231 122.820 0.103 0.000 2.305 463 A HA 0.704 5.023 4.320 -0.001 0.000 0.322 463 A C -1.647 175.887 177.584 -0.082 0.000 1.187 463 A CA -0.652 51.390 52.037 0.008 0.000 0.825 463 A CB 0.864 19.849 19.000 -0.024 0.000 1.164 463 A HN 0.670 nan 8.150 nan 0.000 0.498 464 L N 2.857 124.031 121.223 -0.083 0.000 2.296 464 L HA 0.526 4.865 4.340 -0.001 0.000 0.286 464 L C -0.501 176.307 176.870 -0.102 0.000 1.023 464 L CA -0.157 54.638 54.840 -0.075 0.000 0.812 464 L CB 1.684 43.672 42.059 -0.118 0.000 1.223 464 L HN 0.425 nan 8.230 nan 0.000 0.421 465 V N 3.118 122.926 119.914 -0.177 0.000 2.378 465 V HA 0.408 4.528 4.120 -0.001 0.000 0.288 465 V C -0.147 175.663 176.094 -0.473 0.000 1.016 465 V CA -0.803 61.260 62.300 -0.396 0.000 0.840 465 V CB 1.573 33.012 31.823 -0.639 0.000 0.994 465 V HN 0.910 nan 8.190 nan 0.000 0.431 466 c N 4.979 123.177 118.600 -0.671 0.000 2.355 466 c HA 0.696 5.265 4.570 -0.001 0.000 0.332 466 c C 0.348 174.080 174.090 -0.597 0.000 1.255 466 c CA -0.305 55.507 56.329 -0.861 0.000 1.792 466 c CB 0.557 42.316 42.510 -1.252 0.000 2.300 466 c HN 0.881 nan 8.230 nan 0.000 0.515 467 Y N 3.264 123.434 120.300 -0.217 0.000 2.481 467 Y HA 0.517 5.066 4.550 -0.001 0.000 0.247 467 Y C 1.371 177.154 175.900 -0.194 0.000 1.151 467 Y CA 0.733 58.722 58.100 -0.185 0.000 1.238 467 Y CB 0.603 39.036 38.460 -0.046 0.000 1.179 467 Y HN 1.182 nan 8.280 nan 0.000 0.524 468 G N -0.601 108.183 108.800 -0.026 0.000 2.313 468 G HA2 0.120 4.079 3.960 -0.001 0.000 0.296 468 G HA3 0.120 4.079 3.960 -0.001 0.000 0.296 468 G C -2.513 172.393 174.900 0.010 0.000 1.356 468 G CA -0.739 44.376 45.100 0.025 0.000 0.833 468 G HN -0.319 nan 8.290 nan 0.000 0.552 469 P HA 0.117 nan 4.420 nan 0.000 0.222 469 P C 1.426 178.822 177.300 0.160 0.000 1.153 469 P CA 1.464 64.609 63.100 0.074 0.000 0.798 469 P CB 0.148 31.873 31.700 0.041 0.000 0.796 470 G N 0.502 109.346 108.800 0.073 0.000 2.570 470 G HA2 0.288 4.247 3.960 -0.001 0.000 0.276 470 G HA3 0.288 4.247 3.960 -0.001 0.000 0.276 470 G C -0.210 174.583 174.900 -0.179 0.000 1.346 470 G CA -0.655 44.474 45.100 0.049 0.000 1.034 470 G HN 0.023 nan 8.290 nan 0.000 0.512 471 I N 2.077 122.375 120.570 -0.454 0.000 2.742 471 I HA 0.043 4.213 4.170 -0.001 0.000 0.287 471 I C -1.685 174.085 176.117 -0.578 0.000 1.186 471 I CA -0.657 60.130 61.300 -0.855 0.000 1.417 471 I CB 0.809 38.464 38.000 -0.575 0.000 1.377 471 I HN 0.179 nan 8.210 nan 0.000 0.556 472 P HA 0.192 nan 4.420 nan 0.000 0.268 472 P C -0.646 176.434 177.300 -0.367 0.000 1.208 472 P CA 0.079 62.852 63.100 -0.545 0.000 0.777 472 P CB 0.632 31.870 31.700 -0.771 0.000 0.875 473 I N 0.278 120.652 120.570 -0.327 0.000 2.722 473 I HA 0.320 4.489 4.170 -0.001 0.000 0.292 473 I C -1.308 174.664 176.117 -0.241 0.000 1.267 473 I CA -0.374 60.785 61.300 -0.235 0.000 1.036 473 I CB 1.742 39.627 38.000 -0.192 0.000 1.281 473 I HN 0.169 nan 8.210 nan 0.000 0.423 474 S N 4.312 119.890 115.700 -0.203 0.000 2.482 474 S HA 0.815 5.285 4.470 -0.001 0.000 0.303 474 S C -0.608 173.866 174.600 -0.211 0.000 1.091 474 S CA -0.602 57.467 58.200 -0.219 0.000 1.057 474 S CB 1.806 64.878 63.200 -0.212 0.000 1.031 474 S HN 0.720 nan 8.310 nan 0.000 0.485 475 T N -0.179 114.279 114.554 -0.160 0.000 2.900 475 T HA 0.703 5.053 4.350 -0.001 0.000 0.303 475 T C -1.128 173.509 174.700 -0.104 0.000 1.142 475 T CA -0.815 61.199 62.100 -0.144 0.000 1.007 475 T CB 1.189 70.042 68.868 -0.025 0.000 1.156 475 T HN 0.329 nan 8.240 nan 0.000 0.490 476 L N 1.947 123.033 121.223 -0.229 0.000 2.325 476 L HA 0.617 4.956 4.340 -0.001 0.000 0.278 476 L C -0.655 176.001 176.870 -0.357 0.000 1.023 476 L CA -0.229 54.496 54.840 -0.192 0.000 0.811 476 L CB 0.821 42.752 42.059 -0.214 0.000 1.249 476 L HN 0.821 nan 8.230 nan 0.000 0.431 477 H N 2.089 120.955 119.070 -0.341 0.000 2.865 477 H HA 0.175 4.731 4.556 -0.001 0.000 0.372 477 H C -0.554 174.543 175.328 -0.385 0.000 1.173 477 H CA -0.430 55.317 56.048 -0.502 0.000 1.147 477 H CB 2.107 31.264 29.762 -1.008 0.000 1.805 477 H HN 0.734 nan 8.280 nan 0.000 0.553 478 D N 1.340 121.641 120.400 -0.165 0.000 2.106 478 D HA -0.006 4.634 4.640 -0.001 0.000 0.203 478 D C 1.445 177.632 176.300 -0.188 0.000 0.977 478 D CA 1.783 55.724 54.000 -0.099 0.000 0.844 478 D CB -0.015 40.759 40.800 -0.043 0.000 1.002 478 D HN 0.924 nan 8.370 nan 0.000 0.461 479 G N 0.346 109.138 108.800 -0.014 0.000 2.143 479 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.248 479 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.248 479 G C 1.029 176.053 174.900 0.206 0.000 0.991 479 G CA 0.619 45.902 45.100 0.305 0.000 0.689 479 G HN 0.445 nan 8.290 nan 0.000 0.522 480 R N -1.064 119.474 120.500 0.062 0.000 2.344 480 R HA 0.241 4.581 4.340 -0.001 0.000 0.209 480 R C 1.620 177.956 176.300 0.061 0.000 0.886 480 R CA 1.264 57.397 56.100 0.054 0.000 1.040 480 R CB 0.393 30.681 30.300 -0.021 0.000 1.114 480 R HN 0.263 nan 8.270 nan 0.000 0.547 481 T N -0.554 114.036 114.554 0.060 0.000 2.993 481 T HA 0.137 4.486 4.350 -0.001 0.000 0.260 481 T C -0.553 174.188 174.700 0.068 0.000 0.939 481 T CA 0.575 62.700 62.100 0.042 0.000 0.886 481 T CB 0.350 69.222 68.868 0.007 0.000 1.209 481 T HN 0.386 nan 8.240 nan 0.000 0.518 482 D N 0.423 120.893 120.400 0.116 0.000 2.946 482 D HA -0.128 4.512 4.640 -0.001 0.000 0.202 482 D C 0.290 176.652 176.300 0.103 0.000 1.068 482 D CA 0.669 54.769 54.000 0.166 0.000 1.011 482 D CB -0.608 40.322 40.800 0.218 0.000 1.105 482 D HN 0.293 nan 8.370 nan 0.000 0.425 483 Q N 0.894 120.703 119.800 0.015 0.000 2.315 483 Q HA 0.024 4.363 4.340 -0.001 0.000 0.289 483 Q C 0.098 175.985 176.000 -0.189 0.000 1.044 483 Q CA 0.774 56.549 55.803 -0.048 0.000 0.920 483 Q CB 0.721 29.427 28.738 -0.052 0.000 1.214 483 Q HN 0.453 nan 8.270 nan 0.000 0.392 484 E N 3.222 123.230 120.200 -0.319 0.000 2.290 484 E HA 0.041 4.391 4.350 -0.001 0.000 0.277 484 E C 0.316 176.686 176.600 -0.383 0.000 1.035 484 E CA -0.095 55.899 56.400 -0.678 0.000 0.873 484 E CB 0.531 29.871 29.700 -0.600 0.000 1.029 484 E HN 0.604 nan 8.360 nan 0.000 0.419 485 I N 4.167 124.514 120.570 -0.372 0.000 2.628 485 I HA -0.017 4.153 4.170 -0.001 0.000 0.255 485 I C 0.016 176.006 176.117 -0.212 0.000 1.119 485 I CA 0.731 61.900 61.300 -0.219 0.000 1.448 485 I CB 0.222 38.129 38.000 -0.156 0.000 1.133 485 I HN 0.480 nan 8.210 nan 0.000 0.438 486 K N -0.441 119.804 120.400 -0.258 0.000 2.642 486 K HA 0.478 4.798 4.320 -0.001 0.000 0.290 486 K C -1.212 175.230 176.600 -0.264 0.000 1.006 486 K CA -0.680 55.468 56.287 -0.232 0.000 0.869 486 K CB 0.985 33.360 32.500 -0.209 0.000 1.499 486 K HN -0.136 nan 8.250 nan 0.000 0.403 487 I N 2.977 123.407 120.570 -0.233 0.000 2.352 487 I HA 0.147 4.316 4.170 -0.001 0.000 0.290 487 I C 0.538 176.469 176.117 -0.311 0.000 1.036 487 I CA -0.657 60.501 61.300 -0.238 0.000 1.336 487 I CB 0.583 38.476 38.000 -0.177 0.000 1.407 487 I HN 0.544 nan 8.210 nan 0.000 0.497 488 L N 4.058 125.036 121.223 -0.409 0.000 2.202 488 L HA 0.161 4.501 4.340 -0.001 0.000 0.205 488 L C 0.606 177.208 176.870 -0.447 0.000 1.083 488 L CA 0.860 55.297 54.840 -0.671 0.000 0.790 488 L CB -0.064 41.341 42.059 -1.089 0.000 0.942 488 L HN 0.540 nan 8.230 nan 0.000 0.452 489 E N -0.398 119.657 120.200 -0.242 0.000 2.361 489 E HA 0.117 4.466 4.350 -0.001 0.000 0.270 489 E C -0.120 176.416 176.600 -0.106 0.000 0.911 489 E CA -0.051 56.294 56.400 -0.092 0.000 0.818 489 E CB 1.424 31.145 29.700 0.034 0.000 1.332 489 E HN 0.138 nan 8.360 nan 0.000 0.402 490 E N 2.960 123.104 120.200 -0.094 0.000 2.216 490 E HA 0.099 4.448 4.350 -0.001 0.000 0.192 490 E C -0.236 176.307 176.600 -0.094 0.000 0.973 490 E CA 0.281 56.620 56.400 -0.102 0.000 0.851 490 E CB 0.224 29.870 29.700 -0.091 0.000 0.804 490 E HN 0.576 nan 8.360 nan 0.000 0.477 491 N N 0.863 119.528 118.700 -0.058 0.000 2.814 491 N HA -0.150 4.590 4.740 -0.001 0.000 0.247 491 N C 0.153 175.640 175.510 -0.040 0.000 1.089 491 N CA 0.455 53.480 53.050 -0.041 0.000 0.682 491 N CB -0.629 37.812 38.487 -0.076 0.000 0.970 491 N HN 0.200 nan 8.380 nan 0.000 0.554 492 K N 0.487 120.871 120.400 -0.027 0.000 2.288 492 K HA -0.059 4.261 4.320 -0.001 0.000 0.201 492 K C 1.284 177.889 176.600 0.007 0.000 1.048 492 K CA 0.848 57.124 56.287 -0.018 0.000 0.956 492 K CB 0.305 32.793 32.500 -0.020 0.000 0.746 492 K HN 0.285 nan 8.250 nan 0.000 0.461 493 E N 1.493 121.704 120.200 0.020 0.000 2.031 493 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 493 E C 1.906 178.548 176.600 0.070 0.000 0.994 493 E CA 0.631 57.054 56.400 0.039 0.000 0.800 493 E CB -0.467 29.256 29.700 0.037 0.000 0.752 493 E HN 0.099 nan 8.360 nan 0.000 0.447 494 L N 0.929 122.198 121.223 0.078 0.000 2.046 494 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 494 L C 2.236 179.165 176.870 0.098 0.000 1.077 494 L CA 1.723 56.642 54.840 0.131 0.000 0.747 494 L CB -0.362 41.761 42.059 0.108 0.000 0.896 494 L HN 0.251 nan 8.230 nan 0.000 0.432 495 E N -0.076 120.135 120.200 0.019 0.000 2.171 495 E HA -0.256 4.094 4.350 -0.001 0.000 0.197 495 E C 1.693 178.312 176.600 0.031 0.000 0.997 495 E CA 1.260 57.658 56.400 -0.004 0.000 0.810 495 E CB 0.100 29.780 29.700 -0.034 0.000 0.738 495 E HN 0.628 nan 8.360 nan 0.000 0.467 496 N N -0.805 117.926 118.700 0.052 0.000 2.436 496 N HA 0.009 4.749 4.740 -0.001 0.000 0.178 496 N C 1.793 177.362 175.510 0.099 0.000 1.026 496 N CA 0.644 53.729 53.050 0.057 0.000 0.880 496 N CB 0.107 38.620 38.487 0.044 0.000 1.061 496 N HN 0.051 nan 8.380 nan 0.000 0.434 497 A N 1.518 124.430 122.820 0.152 0.000 1.978 497 A HA -0.060 4.260 4.320 -0.001 0.000 0.220 497 A C 1.969 179.756 177.584 0.338 0.000 1.170 497 A CA 0.944 53.138 52.037 0.261 0.000 0.636 497 A CB -0.616 18.563 19.000 0.300 0.000 0.810 497 A HN 0.217 nan 8.150 nan 0.000 0.448 498 L N -0.907 120.431 121.223 0.192 0.000 2.610 498 L HA -0.028 4.311 4.340 -0.001 0.000 0.232 498 L C 2.205 179.062 176.870 -0.021 0.000 1.149 498 L CA 0.367 55.188 54.840 -0.031 0.000 0.872 498 L CB -0.171 41.873 42.059 -0.024 0.000 0.992 498 L HN 0.342 nan 8.230 nan 0.000 0.447 499 K N 0.332 120.755 120.400 0.038 0.000 2.116 499 K HA -0.041 4.278 4.320 -0.001 0.000 0.203 499 K C 1.536 178.150 176.600 0.023 0.000 1.052 499 K CA 0.880 57.183 56.287 0.025 0.000 0.952 499 K CB 0.027 32.548 32.500 0.035 0.000 0.729 499 K HN 0.505 nan 8.250 nan 0.000 0.446 500 N N 0.822 119.550 118.700 0.048 0.000 2.453 500 N HA -0.113 4.627 4.740 -0.001 0.000 0.183 500 N C 0.353 175.877 175.510 0.023 0.000 1.041 500 N CA 0.707 53.786 53.050 0.050 0.000 0.900 500 N CB 0.048 38.589 38.487 0.090 0.000 0.961 500 N HN 0.062 nan 8.380 nan 0.000 0.443 501 I N 2.059 122.612 120.570 -0.028 0.000 2.321 501 I HA 0.020 4.189 4.170 -0.001 0.000 0.291 501 I C 0.190 176.259 176.117 -0.080 0.000 0.998 501 I CA -0.614 60.631 61.300 -0.091 0.000 1.227 501 I CB 1.501 39.316 38.000 -0.307 0.000 1.368 501 I HN 0.012 nan 8.210 nan 0.000 0.466 502 Q N 6.994 126.765 119.800 -0.047 0.000 2.472 502 Q HA 0.422 4.762 4.340 -0.001 0.000 0.227 502 Q C -0.844 175.122 176.000 -0.056 0.000 1.156 502 Q CA -0.383 55.398 55.803 -0.038 0.000 0.924 502 Q CB 0.284 29.015 28.738 -0.012 0.000 1.354 502 Q HN 0.494 nan 8.270 nan 0.000 0.525 503 L N 3.809 124.986 121.223 -0.077 0.000 2.472 503 L HA 0.372 4.712 4.340 -0.001 0.000 0.260 503 L C -1.697 175.130 176.870 -0.072 0.000 1.209 503 L CA -1.841 52.945 54.840 -0.090 0.000 0.817 503 L CB 0.040 42.036 42.059 -0.106 0.000 1.106 503 L HN 0.543 nan 8.230 nan 0.000 0.479 504 P HA 0.133 nan 4.420 nan 0.000 0.281 504 P C -1.364 175.875 177.300 -0.103 0.000 1.249 504 P CA -0.756 62.289 63.100 -0.092 0.000 0.810 504 P CB 0.911 32.550 31.700 -0.102 0.000 1.008 505 K N 2.267 122.594 120.400 -0.121 0.000 2.378 505 K HA 0.106 4.426 4.320 -0.001 0.000 0.288 505 K C 0.131 176.647 176.600 -0.141 0.000 1.057 505 K CA -0.074 56.139 56.287 -0.123 0.000 0.971 505 K CB 0.233 32.650 32.500 -0.138 0.000 0.975 505 K HN 0.352 nan 8.250 nan 0.000 0.475 506 E N 3.776 123.916 120.200 -0.100 0.000 2.248 506 E HA 0.252 4.602 4.350 -0.001 0.000 0.272 506 E C -0.771 175.789 176.600 -0.067 0.000 1.008 506 E CA -0.659 55.692 56.400 -0.083 0.000 0.856 506 E CB 1.662 31.325 29.700 -0.061 0.000 1.120 506 E HN 0.546 nan 8.360 nan 0.000 0.397 507 E N 1.663 121.830 120.200 -0.056 0.000 2.343 507 E HA 0.203 4.553 4.350 -0.001 0.000 0.288 507 E C -1.058 175.511 176.600 -0.051 0.000 0.907 507 E CA -0.340 56.032 56.400 -0.047 0.000 0.792 507 E CB 1.890 31.543 29.700 -0.077 0.000 1.275 507 E HN 0.470 nan 8.360 nan 0.000 0.402 508 I N 1.318 121.901 120.570 0.021 0.000 2.337 508 I HA 0.437 4.607 4.170 -0.001 0.000 0.285 508 I C -0.801 175.358 176.117 0.070 0.000 1.041 508 I CA -0.164 61.169 61.300 0.054 0.000 1.199 508 I CB 0.208 38.333 38.000 0.208 0.000 1.370 508 I HN 0.255 nan 8.210 nan 0.000 0.470 509 K N 5.586 125.753 120.400 -0.388 0.000 2.354 509 K HA 0.690 5.009 4.320 -0.001 0.000 0.238 509 K C -0.993 175.245 176.600 -0.604 0.000 1.068 509 K CA -1.039 55.002 56.287 -0.410 0.000 0.925 509 K CB 1.419 33.719 32.500 -0.333 0.000 1.286 509 K HN 0.611 nan 8.250 nan 0.000 0.500 510 K N -0.140 119.945 120.400 -0.525 0.000 2.435 510 K HA 0.533 4.853 4.320 -0.001 0.000 0.251 510 K C -1.341 175.203 176.600 -0.093 0.000 0.954 510 K CA -0.757 55.225 56.287 -0.508 0.000 0.820 510 K CB 1.105 32.648 32.500 -1.596 0.000 1.292 510 K HN 0.310 nan 8.250 nan 0.000 0.436 511 L N 1.250 122.467 121.223 -0.010 0.000 2.331 511 L HA 0.517 4.856 4.340 -0.001 0.000 0.275 511 L C -0.707 176.107 176.870 -0.094 0.000 1.022 511 L CA -0.916 53.906 54.840 -0.031 0.000 0.812 511 L CB 1.822 43.848 42.059 -0.056 0.000 1.257 511 L HN 0.657 nan 8.230 nan 0.000 0.435 512 E N 2.043 122.197 120.200 -0.077 0.000 2.155 512 E HA 0.523 4.873 4.350 -0.001 0.000 0.264 512 E C -1.211 175.356 176.600 -0.054 0.000 0.886 512 E CA -0.534 55.827 56.400 -0.066 0.000 0.752 512 E CB 2.227 31.892 29.700 -0.059 0.000 1.133 512 E HN 0.383 nan 8.360 nan 0.000 0.414 513 V N -0.191 119.693 119.914 -0.050 0.000 2.567 513 V HA 0.436 4.556 4.120 -0.001 0.000 0.298 513 V C -0.578 175.494 176.094 -0.037 0.000 1.047 513 V CA -1.172 61.100 62.300 -0.048 0.000 0.880 513 V CB 1.707 33.493 31.823 -0.062 0.000 1.009 513 V HN 0.680 nan 8.190 nan 0.000 0.429 514 D N 3.594 123.975 120.400 -0.030 0.000 2.812 514 D HA -0.166 4.474 4.640 -0.001 0.000 0.237 514 D C 1.054 177.338 176.300 -0.026 0.000 1.162 514 D CA 1.494 55.480 54.000 -0.025 0.000 0.740 514 D CB -0.273 40.514 40.800 -0.023 0.000 1.000 514 D HN 1.092 nan 8.370 nan 0.000 0.416 515 E N -1.773 118.414 120.200 -0.022 0.000 3.870 515 E HA -0.261 4.089 4.350 -0.001 0.000 0.329 515 E C 0.473 177.060 176.600 -0.022 0.000 0.702 515 E CA 1.063 57.451 56.400 -0.019 0.000 1.174 515 E CB -0.571 29.116 29.700 -0.021 0.000 1.619 515 E HN 0.588 nan 8.360 nan 0.000 0.441 516 I N 2.078 122.631 120.570 -0.028 0.000 2.436 516 I HA 0.193 4.363 4.170 -0.001 0.000 0.289 516 I C 0.285 176.391 176.117 -0.018 0.000 1.010 516 I CA -0.045 61.239 61.300 -0.026 0.000 1.098 516 I CB 1.666 39.637 38.000 -0.047 0.000 1.266 516 I HN 0.015 nan 8.210 nan 0.000 0.434 517 T N 5.483 120.037 114.554 0.000 0.000 2.902 517 T HA 0.706 5.056 4.350 -0.001 0.000 0.283 517 T C -0.753 173.959 174.700 0.020 0.000 1.009 517 T CA -0.661 61.426 62.100 -0.021 0.000 1.051 517 T CB 1.808 70.647 68.868 -0.048 0.000 0.999 517 T HN 0.311 nan 8.240 nan 0.000 0.474 518 L N 2.610 123.827 121.223 -0.011 0.000 2.406 518 L HA 0.483 4.822 4.340 -0.001 0.000 0.270 518 L C -0.826 176.126 176.870 0.136 0.000 0.982 518 L CA -0.507 54.390 54.840 0.095 0.000 0.843 518 L CB 1.353 43.452 42.059 0.066 0.000 1.225 518 L HN 0.772 nan 8.230 nan 0.000 0.412 519 W N 4.074 125.493 121.300 0.197 0.000 2.218 519 W HA 0.483 5.143 4.660 -0.001 0.000 0.326 519 W C -0.193 176.525 176.519 0.332 0.000 1.276 519 W CA 0.288 57.761 57.345 0.214 0.000 1.210 519 W CB 0.772 30.317 29.460 0.142 0.000 1.143 519 W HN 0.494 nan 8.180 nan 0.000 0.563 520 Y N 0.098 120.641 120.300 0.405 0.000 2.597 520 Y HA 0.629 5.179 4.550 -0.001 0.000 0.340 520 Y C -1.266 174.811 175.900 0.295 0.000 1.097 520 Y CA -2.207 56.100 58.100 0.345 0.000 1.037 520 Y CB 1.296 39.998 38.460 0.403 0.000 1.305 520 Y HN 0.371 nan 8.280 nan 0.000 0.463 521 K N 3.491 124.069 120.400 0.296 0.000 2.358 521 K HA 0.565 4.885 4.320 -0.001 0.000 0.260 521 K C -1.716 174.991 176.600 0.179 0.000 0.956 521 K CA -0.739 55.633 56.287 0.142 0.000 0.834 521 K CB 1.509 34.088 32.500 0.132 0.000 1.102 521 K HN 0.964 nan 8.250 nan 0.000 0.431 522 M N 6.472 126.127 119.600 0.092 0.000 2.149 522 M HA 0.408 4.888 4.480 -0.001 0.000 0.342 522 M C -1.339 174.912 176.300 -0.082 0.000 1.068 522 M CA -0.762 54.547 55.300 0.014 0.000 0.991 522 M CB 0.852 33.451 32.600 -0.002 0.000 1.596 522 M HN 0.653 nan 8.290 nan 0.000 0.439 523 I N 6.440 126.957 120.570 -0.089 0.000 2.304 523 I HA 0.284 4.454 4.170 -0.001 0.000 0.291 523 I C -1.067 174.923 176.117 -0.212 0.000 1.018 523 I CA -0.467 60.758 61.300 -0.125 0.000 1.260 523 I CB 0.871 38.829 38.000 -0.070 0.000 1.390 523 I HN 0.593 nan 8.210 nan 0.000 0.475 524 L N 8.498 129.542 121.223 -0.299 0.000 2.322 524 L HA 0.536 4.875 4.340 -0.001 0.000 0.281 524 L C -2.359 174.353 176.870 -0.263 0.000 1.014 524 L CA -2.021 52.545 54.840 -0.456 0.000 0.815 524 L CB 0.964 42.477 42.059 -0.910 0.000 1.247 524 L HN 0.285 nan 8.230 nan 0.000 0.421 525 P HA -0.013 nan 4.420 nan 0.000 0.264 525 P C -2.383 174.927 177.300 0.017 0.000 1.179 525 P CA -0.589 62.496 63.100 -0.024 0.000 0.763 525 P CB -0.373 31.392 31.700 0.107 0.000 0.806 526 P HA -0.120 nan 4.420 nan 0.000 0.266 526 P C 0.120 177.462 177.300 0.071 0.000 1.193 526 P CA 0.547 63.664 63.100 0.028 0.000 0.770 526 P CB 0.279 31.988 31.700 0.015 0.000 0.836 527 Q N -0.649 119.190 119.800 0.065 0.000 2.457 527 Q HA -0.222 4.118 4.340 -0.001 0.000 0.283 527 Q C -0.361 175.705 176.000 0.110 0.000 1.234 527 Q CA 0.577 56.421 55.803 0.068 0.000 0.877 527 Q CB -2.016 26.751 28.738 0.049 0.000 1.250 527 Q HN 0.549 nan 8.270 nan 0.000 0.481 528 F N 1.883 121.800 119.950 -0.056 0.000 2.538 528 F HA 0.058 4.585 4.527 -0.001 0.000 0.382 528 F C 0.460 176.216 175.800 -0.073 0.000 1.069 528 F CA -0.260 57.657 58.000 -0.137 0.000 1.138 528 F CB 0.422 39.232 39.000 -0.317 0.000 1.068 528 F HN -0.058 nan 8.300 nan 0.000 0.556 529 D N 5.652 125.785 120.400 -0.446 0.000 2.347 529 D HA 0.105 4.745 4.640 -0.001 0.000 0.235 529 D C 1.235 177.040 176.300 -0.826 0.000 1.149 529 D CA -0.326 53.413 54.000 -0.435 0.000 0.850 529 D CB 1.031 41.750 40.800 -0.134 0.000 1.061 529 D HN 0.690 nan 8.370 nan 0.000 0.487 530 R N 2.455 122.497 120.500 -0.764 0.000 2.127 530 R HA -0.170 4.169 4.340 -0.001 0.000 0.238 530 R C 1.865 178.058 176.300 -0.179 0.000 1.134 530 R CA 2.157 57.924 56.100 -0.554 0.000 0.975 530 R CB -0.245 29.927 30.300 -0.214 0.000 0.865 530 R HN 0.397 nan 8.270 nan 0.000 0.447 531 S N -0.948 114.678 115.700 -0.122 0.000 2.425 531 S HA 0.050 4.519 4.470 -0.001 0.000 0.225 531 S C 0.742 175.349 174.600 0.011 0.000 1.024 531 S CA -0.033 58.154 58.200 -0.023 0.000 0.951 531 S CB 0.036 63.217 63.200 -0.033 0.000 0.796 531 S HN 0.159 nan 8.310 nan 0.000 0.498 532 K N 1.415 121.812 120.400 -0.004 0.000 2.118 532 K HA 0.373 4.693 4.320 -0.001 0.000 0.240 532 K C -0.185 176.479 176.600 0.106 0.000 1.035 532 K CA 0.022 56.299 56.287 -0.017 0.000 0.899 532 K CB 0.401 32.814 32.500 -0.146 0.000 1.085 532 K HN 0.096 nan 8.250 nan 0.000 0.498 533 K N 1.501 121.866 120.400 -0.058 0.000 2.270 533 K HA 0.310 4.630 4.320 -0.001 0.000 0.255 533 K C -1.213 175.316 176.600 -0.118 0.000 0.936 533 K CA -0.560 55.762 56.287 0.060 0.000 0.809 533 K CB 1.446 33.947 32.500 0.001 0.000 1.131 533 K HN 0.462 nan 8.250 nan 0.000 0.427 534 Y N 2.083 122.423 120.300 0.067 0.000 2.425 534 Y HA 0.271 4.821 4.550 -0.001 0.000 0.344 534 Y C -1.981 173.866 175.900 -0.089 0.000 0.969 534 Y CA -2.310 55.804 58.100 0.024 0.000 1.052 534 Y CB 1.827 40.382 38.460 0.158 0.000 1.215 534 Y HN 0.433 nan 8.280 nan 0.000 0.451 535 P HA 0.045 nan 4.420 nan 0.000 0.269 535 P C -1.066 176.104 177.300 -0.216 0.000 1.209 535 P CA -0.064 62.713 63.100 -0.539 0.000 0.776 535 P CB 1.448 32.317 31.700 -1.385 0.000 0.876 536 L N 3.930 125.112 121.223 -0.068 0.000 2.349 536 L HA 0.535 4.875 4.340 -0.001 0.000 0.278 536 L C -1.226 175.893 176.870 0.415 0.000 0.996 536 L CA -0.892 54.059 54.840 0.185 0.000 0.825 536 L CB 1.411 43.572 42.059 0.170 0.000 1.243 536 L HN 0.182 nan 8.230 nan 0.000 0.412 537 L N 6.061 127.514 121.223 0.384 0.000 2.307 537 L HA 0.653 4.992 4.340 -0.001 0.000 0.284 537 L C -1.191 175.882 176.870 0.339 0.000 1.023 537 L CA -0.178 54.895 54.840 0.388 0.000 0.810 537 L CB 1.269 43.499 42.059 0.285 0.000 1.231 537 L HN 0.486 nan 8.230 nan 0.000 0.423 538 I N 4.514 125.312 120.570 0.381 0.000 2.339 538 I HA 0.319 4.488 4.170 -0.001 0.000 0.290 538 I C -0.137 176.174 176.117 0.324 0.000 0.994 538 I CA -0.287 61.218 61.300 0.342 0.000 1.191 538 I CB 1.489 39.701 38.000 0.353 0.000 1.343 538 I HN 0.753 nan 8.210 nan 0.000 0.458 539 Q N 5.150 125.121 119.800 0.285 0.000 2.296 539 Q HA 0.488 4.828 4.340 -0.001 0.000 0.257 539 Q C -1.384 174.652 176.000 0.060 0.000 0.942 539 Q CA -0.202 55.674 55.803 0.122 0.000 0.939 539 Q CB 1.889 30.793 28.738 0.278 0.000 1.198 539 Q HN 0.556 nan 8.270 nan 0.000 0.429 540 V N 5.230 125.101 119.914 -0.072 0.000 2.656 540 V HA 0.332 4.451 4.120 -0.001 0.000 0.307 540 V C -1.414 174.747 176.094 0.112 0.000 1.051 540 V CA -0.299 62.034 62.300 0.055 0.000 0.893 540 V CB 1.686 33.543 31.823 0.057 0.000 0.999 540 V HN 0.993 nan 8.190 nan 0.000 0.426 541 Y N 4.532 124.869 120.300 0.062 0.000 3.154 541 Y HA 0.584 5.134 4.550 -0.001 0.000 0.179 541 Y C 1.700 177.728 175.900 0.215 0.000 0.900 541 Y CA 1.332 59.505 58.100 0.121 0.000 1.743 541 Y CB 0.465 38.976 38.460 0.085 0.000 1.362 541 Y HN 0.906 nan 8.280 nan 0.000 0.414 542 G N 0.029 108.877 108.800 0.081 0.000 2.217 542 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.246 542 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.246 542 G C 0.743 175.346 174.900 -0.496 0.000 0.990 542 G CA 0.225 45.301 45.100 -0.040 0.000 0.627 542 G HN 0.970 nan 8.290 nan 0.000 0.522 543 G N 1.749 109.938 108.800 -1.018 0.000 2.224 543 G HA2 0.405 4.364 3.960 -0.001 0.000 0.239 543 G HA3 0.405 4.364 3.960 -0.001 0.000 0.239 543 G C -1.266 173.192 174.900 -0.737 0.000 1.240 543 G CA 0.341 44.589 45.100 -1.420 0.000 0.896 543 G HN 0.370 nan 8.290 nan 0.000 0.496 544 P HA 0.021 nan 4.420 nan 0.000 0.262 544 P C 0.705 177.721 177.300 -0.474 0.000 1.182 544 P CA 0.115 62.790 63.100 -0.709 0.000 0.761 544 P CB 0.502 31.379 31.700 -1.372 0.000 0.795 545 C N 0.928 120.153 119.300 -0.125 0.000 5.102 545 C HA -0.145 4.315 4.460 -0.001 0.000 0.236 545 C C 1.291 176.258 174.990 -0.038 0.000 1.316 545 C CA 0.994 60.004 59.018 -0.013 0.000 1.394 545 C CB -2.879 24.967 27.740 0.177 0.000 1.902 545 C HN 0.812 nan 8.230 nan 0.000 0.644 546 S N -0.095 115.605 115.700 0.000 0.000 2.707 546 S HA 0.679 5.148 4.470 -0.001 0.000 0.276 546 S C -0.737 173.937 174.600 0.122 0.000 1.179 546 S CA -0.214 58.059 58.200 0.121 0.000 0.992 546 S CB 1.949 65.311 63.200 0.271 0.000 1.030 546 S HN 0.578 nan 8.310 nan 0.000 0.554 547 Q N -0.127 119.809 119.800 0.226 0.000 2.296 547 Q HA 0.392 4.731 4.340 -0.001 0.000 0.254 547 Q C -0.688 175.438 176.000 0.210 0.000 0.936 547 Q CA -0.369 55.591 55.803 0.262 0.000 0.834 547 Q CB 1.830 30.833 28.738 0.441 0.000 1.340 547 Q HN 0.795 nan 8.270 nan 0.000 0.428 548 S N 1.239 117.059 115.700 0.200 0.000 2.475 548 S HA 0.113 4.582 4.470 -0.001 0.000 0.224 548 S C 0.415 175.112 174.600 0.162 0.000 1.042 548 S CA 0.084 58.385 58.200 0.168 0.000 0.935 548 S CB 0.646 63.964 63.200 0.197 0.000 0.801 548 S HN 0.473 nan 8.310 nan 0.000 0.509 549 V N 3.653 123.685 119.914 0.197 0.000 2.387 549 V HA 0.398 4.517 4.120 -0.001 0.000 0.260 549 V C -0.003 176.182 176.094 0.152 0.000 1.054 549 V CA 0.097 62.512 62.300 0.192 0.000 0.967 549 V CB -0.106 31.876 31.823 0.265 0.000 1.036 549 V HN 0.228 nan 8.190 nan 0.000 0.481 550 R N 2.538 123.101 120.500 0.106 0.000 2.673 550 R HA 0.434 4.774 4.340 -0.001 0.000 0.281 550 R C -0.113 176.215 176.300 0.047 0.000 0.991 550 R CA -0.541 55.609 56.100 0.084 0.000 0.896 550 R CB 2.001 32.290 30.300 -0.019 0.000 1.201 550 R HN 0.601 nan 8.270 nan 0.000 0.457 551 S N 1.247 117.008 115.700 0.102 0.000 4.120 551 S HA 0.185 4.655 4.470 -0.001 0.000 0.215 551 S C -0.183 174.434 174.600 0.028 0.000 1.347 551 S CA -0.542 57.704 58.200 0.077 0.000 0.889 551 S CB -0.324 62.935 63.200 0.098 0.000 1.585 551 S HN 0.207 nan 8.310 nan 0.000 0.447 552 V N 2.949 122.829 119.914 -0.057 0.000 2.483 552 V HA 0.363 4.482 4.120 -0.001 0.000 0.297 552 V C -0.330 175.775 176.094 0.018 0.000 1.027 552 V CA -1.039 61.203 62.300 -0.095 0.000 0.855 552 V CB 1.417 33.066 31.823 -0.290 0.000 0.995 552 V HN 0.722 nan 8.190 nan 0.000 0.424 553 F N 4.654 124.557 119.950 -0.079 0.000 2.578 553 F HA 0.500 5.027 4.527 -0.001 0.000 0.381 553 F C 0.514 176.353 175.800 0.065 0.000 1.069 553 F CA 0.443 58.411 58.000 -0.053 0.000 1.231 553 F CB 0.443 39.346 39.000 -0.162 0.000 1.086 553 F HN 0.613 nan 8.300 nan 0.000 0.564 554 A N 6.055 128.681 122.820 -0.324 0.000 2.550 554 A HA 0.497 4.817 4.320 -0.001 0.000 0.282 554 A C -1.587 175.867 177.584 -0.217 0.000 1.071 554 A CA -0.636 51.367 52.037 -0.056 0.000 0.838 554 A CB 0.432 19.453 19.000 0.035 0.000 1.361 554 A HN 0.498 nan 8.150 nan 0.000 0.408 555 V N 4.902 124.749 119.914 -0.111 0.000 2.372 555 V HA 0.296 4.416 4.120 -0.001 0.000 0.261 555 V C 0.329 176.469 176.094 0.076 0.000 1.055 555 V CA 0.525 62.806 62.300 -0.032 0.000 0.930 555 V CB -0.314 31.569 31.823 0.100 0.000 1.031 555 V HN 1.002 nan 8.190 nan 0.000 0.479 556 N N 1.895 120.640 118.700 0.074 0.000 2.902 556 N HA 0.272 5.012 4.740 -0.001 0.000 0.268 556 N C 0.526 176.163 175.510 0.212 0.000 1.450 556 N CA -0.977 52.150 53.050 0.127 0.000 0.819 556 N CB 0.980 39.553 38.487 0.144 0.000 1.540 556 N HN 0.311 nan 8.380 nan 0.000 0.545 557 W N 1.811 123.126 121.300 0.025 0.000 2.283 557 W HA -0.299 4.360 4.660 -0.001 0.000 0.335 557 W C 1.956 178.596 176.519 0.201 0.000 1.313 557 W CA 2.527 59.933 57.345 0.103 0.000 1.263 557 W CB -0.722 28.811 29.460 0.122 0.000 1.141 557 W HN 0.636 nan 8.180 nan 0.000 0.468 558 I N -1.220 119.379 120.570 0.049 0.000 2.335 558 I HA -0.286 3.884 4.170 -0.001 0.000 0.251 558 I C 2.048 178.111 176.117 -0.091 0.000 1.129 558 I CA 2.115 63.326 61.300 -0.147 0.000 1.402 558 I CB -1.389 36.623 38.000 0.021 0.000 1.069 558 I HN -0.084 nan 8.210 nan 0.000 0.424 559 S N 1.239 116.940 115.700 0.002 0.000 2.353 559 S HA -0.258 4.212 4.470 -0.001 0.000 0.222 559 S C 1.927 176.529 174.600 0.002 0.000 1.035 559 S CA 1.976 60.168 58.200 -0.013 0.000 1.025 559 S CB -0.779 62.418 63.200 -0.005 0.000 0.902 559 S HN 0.754 nan 8.310 nan 0.000 0.440 560 Y N 2.440 122.724 120.300 -0.027 0.000 2.165 560 Y HA -0.121 4.428 4.550 -0.001 0.000 0.286 560 Y C 1.771 177.644 175.900 -0.046 0.000 1.155 560 Y CA 1.342 59.442 58.100 0.000 0.000 1.164 560 Y CB -0.652 37.857 38.460 0.081 0.000 0.978 560 Y HN 0.158 nan 8.280 nan 0.000 0.513 561 L N 0.070 120.950 121.223 -0.571 0.000 2.201 561 L HA -0.091 4.249 4.340 -0.001 0.000 0.212 561 L C 2.731 179.392 176.870 -0.349 0.000 1.105 561 L CA 0.953 55.394 54.840 -0.665 0.000 0.775 561 L CB -0.821 40.880 42.059 -0.596 0.000 0.913 561 L HN 0.380 nan 8.230 nan 0.000 0.440 562 A N -1.086 121.599 122.820 -0.226 0.000 1.903 562 A HA -0.126 4.194 4.320 -0.001 0.000 0.213 562 A C 2.511 180.034 177.584 -0.102 0.000 1.185 562 A CA 1.431 53.392 52.037 -0.127 0.000 0.628 562 A CB -0.459 18.476 19.000 -0.109 0.000 0.830 562 A HN 0.280 nan 8.150 nan 0.000 0.446 563 S N -0.524 115.111 115.700 -0.109 0.000 2.348 563 S HA -0.185 4.284 4.470 -0.001 0.000 0.221 563 S C 2.084 176.655 174.600 -0.048 0.000 1.033 563 S CA 2.125 60.293 58.200 -0.053 0.000 1.010 563 S CB -0.180 63.015 63.200 -0.008 0.000 0.891 563 S HN 0.588 nan 8.310 nan 0.000 0.442 564 K N -0.252 120.076 120.400 -0.120 0.000 2.240 564 K HA 0.205 4.524 4.320 -0.001 0.000 0.202 564 K C 1.802 178.335 176.600 -0.111 0.000 1.053 564 K CA 0.617 56.858 56.287 -0.077 0.000 0.973 564 K CB -0.030 32.483 32.500 0.023 0.000 0.924 564 K HN 0.044 nan 8.250 nan 0.000 0.477 565 E N 0.038 120.094 120.200 -0.241 0.000 2.435 565 E HA 0.083 4.432 4.350 -0.001 0.000 0.195 565 E C 0.662 177.243 176.600 -0.032 0.000 1.029 565 E CA 0.833 57.148 56.400 -0.141 0.000 0.865 565 E CB 0.412 29.984 29.700 -0.213 0.000 0.833 565 E HN 0.557 nan 8.360 nan 0.000 0.510 566 G N 1.333 110.127 108.800 -0.009 0.000 2.160 566 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.244 566 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.244 566 G C 0.162 175.155 174.900 0.154 0.000 1.022 566 G CA 0.494 45.652 45.100 0.097 0.000 0.741 566 G HN 0.174 nan 8.290 nan 0.000 0.508 567 M N 0.550 120.196 119.600 0.077 0.000 2.144 567 M HA 0.443 4.922 4.480 -0.001 0.000 0.356 567 M C 0.585 176.925 176.300 0.068 0.000 1.217 567 M CA -0.644 54.717 55.300 0.102 0.000 1.087 567 M CB 1.885 34.556 32.600 0.118 0.000 1.609 567 M HN -0.093 nan 8.290 nan 0.000 0.467 568 V N 5.476 125.447 119.914 0.095 0.000 2.508 568 V HA 0.213 4.333 4.120 -0.001 0.000 0.281 568 V C 0.241 176.355 176.094 0.034 0.000 1.041 568 V CA -0.110 62.192 62.300 0.003 0.000 1.016 568 V CB 0.429 32.273 31.823 0.036 0.000 0.984 568 V HN 0.566 nan 8.190 nan 0.000 0.478 569 I N 4.180 124.744 120.570 -0.010 0.000 2.493 569 I HA 0.820 4.989 4.170 -0.001 0.000 0.298 569 I C 0.191 176.328 176.117 0.033 0.000 0.998 569 I CA -0.666 60.663 61.300 0.047 0.000 1.137 569 I CB 1.463 39.485 38.000 0.037 0.000 1.310 569 I HN 0.641 nan 8.210 nan 0.000 0.445 570 A N 6.124 129.012 122.820 0.114 0.000 2.449 570 A HA 0.874 5.194 4.320 -0.001 0.000 0.302 570 A C -1.399 176.345 177.584 0.266 0.000 1.048 570 A CA -0.446 51.680 52.037 0.149 0.000 0.708 570 A CB 1.614 20.639 19.000 0.042 0.000 1.274 570 A HN 0.505 nan 8.150 nan 0.000 0.410 571 L N 1.434 122.835 121.223 0.296 0.000 2.362 571 L HA 0.734 5.074 4.340 -0.001 0.000 0.275 571 L C -0.558 176.531 176.870 0.364 0.000 0.998 571 L CA -0.599 54.415 54.840 0.291 0.000 0.820 571 L CB 1.949 44.149 42.059 0.234 0.000 1.270 571 L HN 0.398 nan 8.230 nan 0.000 0.415 572 V N 1.303 121.414 119.914 0.329 0.000 2.577 572 V HA 0.449 4.568 4.120 -0.001 0.000 0.303 572 V C -1.067 175.193 176.094 0.276 0.000 1.042 572 V CA -0.707 61.799 62.300 0.343 0.000 0.872 572 V CB 2.092 34.087 31.823 0.286 0.000 0.998 572 V HN 0.614 nan 8.190 nan 0.000 0.423 573 D N 3.715 124.295 120.400 0.301 0.000 2.317 573 D HA 0.598 5.237 4.640 -0.001 0.000 0.234 573 D C 0.385 176.819 176.300 0.224 0.000 1.112 573 D CA 0.297 54.448 54.000 0.252 0.000 0.840 573 D CB 2.320 43.283 40.800 0.272 0.000 1.078 573 D HN 0.718 nan 8.370 nan 0.000 0.486 574 G N 1.639 110.537 108.800 0.164 0.000 3.234 574 G HA2 0.344 4.304 3.960 -0.001 0.000 0.159 574 G HA3 0.344 4.304 3.960 -0.001 0.000 0.159 574 G C -0.115 174.842 174.900 0.096 0.000 1.175 574 G CA -0.679 44.498 45.100 0.127 0.000 0.900 574 G HN 0.290 nan 8.290 nan 0.000 0.621 575 R N -0.539 120.009 120.500 0.080 0.000 2.643 575 R HA 0.408 4.747 4.340 -0.001 0.000 0.270 575 R C 1.138 177.486 176.300 0.079 0.000 1.061 575 R CA 1.342 57.477 56.100 0.058 0.000 1.107 575 R CB 0.640 30.961 30.300 0.035 0.000 0.999 575 R HN 1.147 nan 8.270 nan 0.000 0.460 576 G N 1.234 110.073 108.800 0.064 0.000 2.195 576 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.246 576 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.246 576 G C 0.280 175.177 174.900 -0.005 0.000 0.984 576 G CA 0.128 45.269 45.100 0.068 0.000 0.633 576 G HN 0.587 nan 8.290 nan 0.000 0.525 577 T N 1.507 116.055 114.554 -0.010 0.000 2.856 577 T HA 0.660 5.010 4.350 -0.001 0.000 0.292 577 T C 0.848 175.469 174.700 -0.131 0.000 0.980 577 T CA 0.725 62.806 62.100 -0.032 0.000 1.091 577 T CB 1.119 70.019 68.868 0.054 0.000 0.936 577 T HN 1.193 nan 8.240 nan 0.000 0.503 578 A N 2.708 125.340 122.820 -0.314 0.000 2.280 578 A HA 0.669 4.989 4.320 -0.001 0.000 0.268 578 A C 0.113 177.368 177.584 -0.549 0.000 1.111 578 A CA -0.379 51.255 52.037 -0.672 0.000 0.814 578 A CB -0.299 17.919 19.000 -1.302 0.000 1.093 578 A HN 0.957 nan 8.150 nan 0.000 0.498 579 F N -2.760 117.190 119.950 0.001 0.000 2.795 579 F HA -0.168 4.359 4.527 -0.001 0.000 0.297 579 F C 0.722 176.545 175.800 0.038 0.000 0.699 579 F CA 1.183 59.197 58.000 0.024 0.000 1.384 579 F CB -2.120 36.916 39.000 0.060 0.000 1.672 579 F HN 0.651 nan 8.300 nan 0.000 0.345 580 Q N 0.005 119.852 119.800 0.078 0.000 2.106 580 Q HA 0.521 4.860 4.340 -0.001 0.000 0.273 580 Q C 0.992 176.876 176.000 -0.194 0.000 0.853 580 Q CA 0.166 56.021 55.803 0.086 0.000 1.118 580 Q CB 1.237 30.051 28.738 0.127 0.000 1.240 580 Q HN 0.639 nan 8.270 nan 0.000 0.445 581 G N 0.942 109.522 108.800 -0.366 0.000 2.698 581 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.225 581 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.225 581 G C -0.332 174.208 174.900 -0.600 0.000 1.345 581 G CA -0.254 44.398 45.100 -0.747 0.000 0.871 581 G HN 0.243 nan 8.290 nan 0.000 0.540 582 D N -0.415 119.619 120.400 -0.611 0.000 2.327 582 D HA 0.062 4.701 4.640 -0.001 0.000 0.205 582 D C 2.157 178.225 176.300 -0.386 0.000 0.989 582 D CA 0.951 54.578 54.000 -0.622 0.000 0.873 582 D CB 0.123 40.649 40.800 -0.458 0.000 0.955 582 D HN 0.482 nan 8.370 nan 0.000 0.515 583 K N 0.457 120.681 120.400 -0.294 0.000 2.148 583 K HA -0.022 4.298 4.320 -0.001 0.000 0.204 583 K C 1.939 178.441 176.600 -0.164 0.000 1.050 583 K CA 0.555 56.735 56.287 -0.178 0.000 0.942 583 K CB 0.121 32.539 32.500 -0.137 0.000 0.724 583 K HN 0.063 nan 8.250 nan 0.000 0.446 584 L N 0.494 121.601 121.223 -0.193 0.000 2.034 584 L HA -0.110 4.230 4.340 -0.001 0.000 0.203 584 L C 2.273 179.056 176.870 -0.145 0.000 1.074 584 L CA 0.964 55.723 54.840 -0.135 0.000 0.748 584 L CB -0.357 41.642 42.059 -0.100 0.000 0.905 584 L HN 0.286 nan 8.230 nan 0.000 0.439 585 L N -0.771 120.286 121.223 -0.277 0.000 2.017 585 L HA -0.239 4.100 4.340 -0.001 0.000 0.208 585 L C 2.098 178.857 176.870 -0.185 0.000 1.073 585 L CA 1.865 56.531 54.840 -0.291 0.000 0.745 585 L CB -0.698 41.019 42.059 -0.570 0.000 0.894 585 L HN 0.190 nan 8.230 nan 0.000 0.432 586 Y N -0.250 119.843 120.300 -0.344 0.000 2.529 586 Y HA 0.275 4.825 4.550 -0.001 0.000 0.290 586 Y C 2.300 178.156 175.900 -0.074 0.000 1.177 586 Y CA -0.091 57.745 58.100 -0.440 0.000 1.305 586 Y CB -1.354 36.753 38.460 -0.588 0.000 1.047 586 Y HN 0.287 nan 8.280 nan 0.000 0.522 587 A N -0.070 122.812 122.820 0.103 0.000 2.121 587 A HA -0.059 4.260 4.320 -0.001 0.000 0.218 587 A C 2.043 179.781 177.584 0.257 0.000 1.154 587 A CA 1.650 53.737 52.037 0.084 0.000 0.679 587 A CB -0.900 18.048 19.000 -0.088 0.000 0.795 587 A HN 0.267 nan 8.150 nan 0.000 0.458 588 V N -4.984 115.135 119.914 0.342 0.000 3.608 588 V HA 0.149 4.269 4.120 -0.001 0.000 0.269 588 V C 0.994 177.327 176.094 0.398 0.000 1.245 588 V CA -0.369 62.159 62.300 0.380 0.000 1.138 588 V CB -1.559 30.440 31.823 0.294 0.000 0.841 588 V HN 0.374 nan 8.190 nan 0.000 0.451 589 Y N 3.158 123.669 120.300 0.351 0.000 2.804 589 Y HA 0.188 4.738 4.550 -0.001 0.000 0.338 589 Y C 1.441 177.423 175.900 0.136 0.000 1.252 589 Y CA 0.300 58.599 58.100 0.332 0.000 1.576 589 Y CB -0.361 38.231 38.460 0.221 0.000 1.223 589 Y HN 0.439 nan 8.280 nan 0.000 0.536 590 R N 1.911 122.295 120.500 -0.194 0.000 3.994 590 R HA -0.246 4.094 4.340 -0.001 0.000 0.403 590 R C -0.161 175.971 176.300 -0.279 0.000 1.126 590 R CA 1.414 57.343 56.100 -0.285 0.000 1.143 590 R CB -1.099 28.954 30.300 -0.412 0.000 1.695 590 R HN 0.560 nan 8.270 nan 0.000 0.555 591 K N 0.935 121.226 120.400 -0.180 0.000 3.271 591 K HA 0.191 4.511 4.320 -0.001 0.000 0.192 591 K C -0.712 175.926 176.600 0.064 0.000 1.108 591 K CA -0.596 55.488 56.287 -0.338 0.000 0.902 591 K CB 0.649 32.988 32.500 -0.269 0.000 0.889 591 K HN -0.131 nan 8.250 nan 0.000 0.520 592 L N 0.467 121.830 121.223 0.234 0.000 2.455 592 L HA 0.107 4.446 4.340 -0.001 0.000 0.272 592 L C 1.404 178.548 176.870 0.457 0.000 1.174 592 L CA 1.623 56.624 54.840 0.267 0.000 0.869 592 L CB 0.525 42.564 42.059 -0.033 0.000 1.130 592 L HN 0.779 nan 8.230 nan 0.000 0.474 593 G N 2.311 111.386 108.800 0.459 0.000 2.225 593 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.254 593 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.254 593 G C 0.768 175.723 174.900 0.092 0.000 0.988 593 G CA 0.384 45.666 45.100 0.302 0.000 0.625 593 G HN 0.491 nan 8.290 nan 0.000 0.527 594 V N -0.230 119.722 119.914 0.063 0.000 2.249 594 V HA 0.009 4.128 4.120 -0.001 0.000 0.239 594 V C 2.126 178.151 176.094 -0.114 0.000 1.038 594 V CA 2.244 64.469 62.300 -0.125 0.000 1.005 594 V CB -0.954 30.660 31.823 -0.349 0.000 0.646 594 V HN 0.432 nan 8.190 nan 0.000 0.455 595 Y N 1.194 121.543 120.300 0.081 0.000 2.314 595 Y HA -0.137 4.413 4.550 -0.001 0.000 0.293 595 Y C 2.821 178.761 175.900 0.067 0.000 1.129 595 Y CA 1.061 59.198 58.100 0.061 0.000 1.201 595 Y CB -0.099 38.396 38.460 0.059 0.000 0.999 595 Y HN 0.410 nan 8.280 nan 0.000 0.541 596 E N -0.015 120.321 120.200 0.227 0.000 2.072 596 E HA -0.137 4.213 4.350 -0.001 0.000 0.191 596 E C 2.215 178.892 176.600 0.128 0.000 0.985 596 E CA 1.363 57.870 56.400 0.179 0.000 0.801 596 E CB -1.027 28.799 29.700 0.210 0.000 0.750 596 E HN 0.331 nan 8.360 nan 0.000 0.452 597 V N 2.133 122.097 119.914 0.084 0.000 2.261 597 V HA -0.269 3.851 4.120 -0.001 0.000 0.246 597 V C 2.604 178.738 176.094 0.066 0.000 1.047 597 V CA 2.269 64.591 62.300 0.036 0.000 1.015 597 V CB -0.674 31.124 31.823 -0.042 0.000 0.642 597 V HN 0.311 nan 8.190 nan 0.000 0.446 598 E N -0.294 119.947 120.200 0.068 0.000 2.171 598 E HA -0.295 4.055 4.350 -0.001 0.000 0.197 598 E C 1.688 178.331 176.600 0.071 0.000 0.997 598 E CA 1.693 58.138 56.400 0.074 0.000 0.810 598 E CB -0.035 29.738 29.700 0.122 0.000 0.738 598 E HN 0.611 nan 8.360 nan 0.000 0.467 599 D N -0.467 119.987 120.400 0.090 0.000 2.249 599 D HA -0.080 4.560 4.640 -0.001 0.000 0.205 599 D C 1.883 178.207 176.300 0.041 0.000 0.962 599 D CA 0.444 54.480 54.000 0.060 0.000 0.860 599 D CB 0.016 40.867 40.800 0.085 0.000 0.955 599 D HN 0.197 nan 8.370 nan 0.000 0.505 600 Q N 0.274 120.125 119.800 0.086 0.000 2.172 600 Q HA -0.005 4.335 4.340 -0.001 0.000 0.200 600 Q C 2.463 178.523 176.000 0.099 0.000 0.964 600 Q CA 0.450 56.324 55.803 0.118 0.000 0.855 600 Q CB 0.145 28.996 28.738 0.187 0.000 0.918 600 Q HN 0.411 nan 8.270 nan 0.000 0.444 601 I N 1.035 121.658 120.570 0.088 0.000 2.163 601 I HA -0.250 3.920 4.170 -0.001 0.000 0.240 601 I C 2.170 178.230 176.117 -0.096 0.000 1.081 601 I CA 1.619 62.925 61.300 0.009 0.000 1.353 601 I CB -0.688 37.322 38.000 0.017 0.000 1.054 601 I HN 0.191 nan 8.210 nan 0.000 0.407 602 T N 0.859 115.361 114.554 -0.088 0.000 2.699 602 T HA -0.227 4.123 4.350 -0.001 0.000 0.268 602 T C 1.981 176.522 174.700 -0.265 0.000 1.036 602 T CA 1.414 63.432 62.100 -0.138 0.000 1.147 602 T CB -0.579 68.232 68.868 -0.096 0.000 0.862 602 T HN 0.464 nan 8.240 nan 0.000 0.446 603 A N 1.388 124.006 122.820 -0.336 0.000 1.832 603 A HA 0.029 4.348 4.320 -0.001 0.000 0.214 603 A C 2.646 179.626 177.584 -1.006 0.000 1.200 603 A CA 1.396 52.988 52.037 -0.742 0.000 0.610 603 A CB -1.241 17.371 19.000 -0.647 0.000 0.842 603 A HN 0.302 nan 8.150 nan 0.000 0.444 604 V N 0.293 119.896 119.914 -0.517 0.000 2.252 604 V HA -0.397 3.723 4.120 -0.001 0.000 0.255 604 V C 2.706 178.660 176.094 -0.234 0.000 1.071 604 V CA 2.661 64.832 62.300 -0.215 0.000 1.050 604 V CB -0.874 30.889 31.823 -0.101 0.000 0.654 604 V HN 0.547 nan 8.190 nan 0.000 0.448 605 R N -0.653 119.696 120.500 -0.253 0.000 2.083 605 R HA -0.231 4.108 4.340 -0.001 0.000 0.237 605 R C 2.451 178.636 176.300 -0.190 0.000 1.137 605 R CA 1.987 57.971 56.100 -0.193 0.000 0.951 605 R CB -0.279 29.922 30.300 -0.166 0.000 0.851 605 R HN 0.401 nan 8.270 nan 0.000 0.434 606 K N -0.147 120.086 120.400 -0.278 0.000 2.026 606 K HA -0.070 4.249 4.320 -0.001 0.000 0.208 606 K C 1.758 178.284 176.600 -0.122 0.000 1.048 606 K CA 1.487 57.637 56.287 -0.227 0.000 0.929 606 K CB -0.235 32.085 32.500 -0.300 0.000 0.713 606 K HN 0.140 nan 8.250 nan 0.000 0.439 607 F N 0.242 120.063 119.950 -0.215 0.000 2.154 607 F HA -0.246 4.281 4.527 -0.001 0.000 0.301 607 F C 2.024 177.634 175.800 -0.317 0.000 1.087 607 F CA 0.481 58.320 58.000 -0.268 0.000 1.274 607 F CB -0.298 38.576 39.000 -0.210 0.000 1.009 607 F HN -0.008 nan 8.300 nan 0.000 0.485 608 I N 0.602 121.144 120.570 -0.045 0.000 2.226 608 I HA -0.275 3.895 4.170 -0.001 0.000 0.245 608 I C 2.014 178.055 176.117 -0.127 0.000 1.100 608 I CA 1.673 62.911 61.300 -0.103 0.000 1.374 608 I CB -0.386 37.561 38.000 -0.087 0.000 1.057 608 I HN 0.168 nan 8.210 nan 0.000 0.413 609 E N 0.154 120.292 120.200 -0.104 0.000 2.502 609 E HA -0.080 4.270 4.350 -0.001 0.000 0.194 609 E C 1.866 178.419 176.600 -0.078 0.000 1.062 609 E CA 0.387 56.739 56.400 -0.081 0.000 0.867 609 E CB -0.210 29.452 29.700 -0.062 0.000 0.888 609 E HN 0.443 nan 8.360 nan 0.000 0.510 610 M N 0.275 119.790 119.600 -0.140 0.000 2.394 610 M HA 0.101 4.581 4.480 -0.001 0.000 0.264 610 M C 1.339 177.550 176.300 -0.148 0.000 1.073 610 M CA 1.394 56.608 55.300 -0.142 0.000 1.111 610 M CB 0.234 32.684 32.600 -0.250 0.000 1.401 610 M HN 0.505 nan 8.290 nan 0.000 0.448 611 G N 0.099 108.770 108.800 -0.215 0.000 2.176 611 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.232 611 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.232 611 G C 0.383 175.297 174.900 0.024 0.000 0.986 611 G CA 0.270 45.333 45.100 -0.061 0.000 0.643 611 G HN 0.597 nan 8.290 nan 0.000 0.522 612 F N -0.165 119.850 119.950 0.108 0.000 2.668 612 F HA 0.698 5.225 4.527 -0.001 0.000 0.301 612 F C 0.024 175.951 175.800 0.211 0.000 1.106 612 F CA -1.832 56.264 58.000 0.161 0.000 1.289 612 F CB 0.358 39.473 39.000 0.191 0.000 1.006 612 F HN -0.015 nan 8.300 nan 0.000 0.535 613 I N 2.033 122.593 120.570 -0.017 0.000 2.378 613 I HA 0.202 4.372 4.170 -0.001 0.000 0.291 613 I C -0.766 175.354 176.117 0.006 0.000 0.992 613 I CA -0.842 60.472 61.300 0.024 0.000 1.154 613 I CB 1.395 39.338 38.000 -0.095 0.000 1.315 613 I HN 0.056 nan 8.210 nan 0.000 0.448 614 D N 5.715 126.119 120.400 0.007 0.000 2.339 614 D HA 0.072 4.712 4.640 -0.001 0.000 0.241 614 D C 1.403 177.678 176.300 -0.042 0.000 1.183 614 D CA -0.181 53.798 54.000 -0.034 0.000 0.859 614 D CB 1.015 41.773 40.800 -0.070 0.000 1.067 614 D HN 0.518 nan 8.370 nan 0.000 0.484 615 E N 3.941 124.120 120.200 -0.035 0.000 2.268 615 E HA -0.225 4.125 4.350 -0.001 0.000 0.195 615 E C 0.795 177.385 176.600 -0.016 0.000 0.995 615 E CA 0.842 57.221 56.400 -0.035 0.000 0.836 615 E CB -0.113 29.558 29.700 -0.048 0.000 0.763 615 E HN 0.558 nan 8.360 nan 0.000 0.491 616 K N 0.561 120.954 120.400 -0.012 0.000 2.288 616 K HA 0.023 4.343 4.320 -0.001 0.000 0.201 616 K C 0.887 177.517 176.600 0.051 0.000 1.048 616 K CA 0.508 56.803 56.287 0.014 0.000 0.956 616 K CB 0.108 32.611 32.500 0.004 0.000 0.746 616 K HN -0.015 nan 8.250 nan 0.000 0.461 617 R N 1.148 121.653 120.500 0.008 0.000 2.664 617 R HA 0.366 4.706 4.340 -0.001 0.000 0.281 617 R C -0.947 175.403 176.300 0.084 0.000 1.383 617 R CA -0.131 55.978 56.100 0.014 0.000 1.563 617 R CB 0.500 30.598 30.300 -0.336 0.000 1.131 617 R HN 0.004 nan 8.270 nan 0.000 0.599 618 I N 1.236 122.018 120.570 0.353 0.000 2.466 618 I HA 0.522 4.692 4.170 -0.001 0.000 0.289 618 I C -0.346 176.123 176.117 0.588 0.000 1.026 618 I CA -0.703 60.858 61.300 0.435 0.000 1.078 618 I CB 2.120 40.251 38.000 0.219 0.000 1.249 618 I HN 0.393 nan 8.210 nan 0.000 0.429 619 A N 6.667 129.863 122.820 0.626 0.000 2.386 619 A HA 0.935 5.255 4.320 -0.001 0.000 0.308 619 A C -1.279 176.563 177.584 0.429 0.000 1.128 619 A CA -0.622 51.680 52.037 0.442 0.000 0.789 619 A CB 1.926 21.023 19.000 0.162 0.000 1.325 619 A HN 0.718 nan 8.150 nan 0.000 0.437 620 I N 0.731 121.457 120.570 0.260 0.000 2.722 620 I HA 0.747 4.917 4.170 -0.001 0.000 0.295 620 I C -1.753 174.531 176.117 0.279 0.000 1.161 620 I CA -0.549 60.846 61.300 0.157 0.000 1.032 620 I CB 1.605 39.411 38.000 -0.323 0.000 1.244 620 I HN 0.905 nan 8.210 nan 0.000 0.421 621 W N 7.148 128.534 121.300 0.144 0.000 3.107 621 W HA 0.861 5.520 4.660 -0.001 0.000 0.331 621 W C -1.399 175.248 176.519 0.213 0.000 1.204 621 W CA -0.964 56.494 57.345 0.188 0.000 1.184 621 W CB 1.233 30.863 29.460 0.283 0.000 1.421 621 W HN 0.817 nan 8.180 nan 0.000 0.544 622 G N 1.137 109.845 108.800 -0.153 0.000 2.660 622 G HA2 0.553 4.513 3.960 -0.001 0.000 0.290 622 G HA3 0.553 4.513 3.960 -0.001 0.000 0.290 622 G C -2.804 172.017 174.900 -0.133 0.000 1.432 622 G CA -0.668 44.168 45.100 -0.439 0.000 0.807 622 G HN 0.576 nan 8.290 nan 0.000 0.485 623 W N 0.454 121.630 121.300 -0.206 0.000 2.844 623 W HA 0.616 5.276 4.660 -0.000 0.000 0.340 623 W C 0.852 177.470 176.519 0.164 0.000 1.093 623 W CA 0.121 57.468 57.345 0.003 0.000 1.212 623 W CB 1.856 31.317 29.460 0.003 0.000 1.422 623 W HN 1.021 nan 8.180 nan 0.000 0.515 624 S N 1.970 118.072 115.700 0.670 0.000 4.150 624 S HA -0.431 4.038 4.470 -0.001 0.000 0.551 624 S C 1.191 175.923 174.600 0.220 0.000 1.874 624 S CA 2.101 60.619 58.200 0.530 0.000 4.241 624 S CB -1.793 61.851 63.200 0.739 0.000 0.292 624 S HN 0.729 nan 8.310 nan 0.000 0.469 625 Y N 2.427 122.742 120.300 0.026 0.000 2.256 625 Y HA 0.014 4.564 4.550 -0.001 0.000 0.288 625 Y C 2.312 178.165 175.900 -0.078 0.000 1.155 625 Y CA 2.224 60.220 58.100 -0.175 0.000 1.203 625 Y CB -0.893 37.205 38.460 -0.603 0.000 0.980 625 Y HN 0.475 nan 8.280 nan 0.000 0.530 626 G N -1.257 107.645 108.800 0.170 0.000 2.443 626 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.219 626 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.219 626 G C 1.867 176.809 174.900 0.070 0.000 1.131 626 G CA 0.685 45.881 45.100 0.160 0.000 0.775 626 G HN 0.544 nan 8.290 nan 0.000 0.547 627 G N -0.416 108.439 108.800 0.091 0.000 2.430 627 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.216 627 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.216 627 G C 1.457 176.386 174.900 0.049 0.000 1.146 627 G CA 0.772 45.907 45.100 0.059 0.000 0.793 627 G HN 0.450 nan 8.290 nan 0.000 0.537 628 Y N 1.437 121.635 120.300 -0.171 0.000 2.070 628 Y HA -0.243 4.307 4.550 -0.001 0.000 0.280 628 Y C 2.841 178.633 175.900 -0.181 0.000 1.148 628 Y CA 2.484 60.420 58.100 -0.273 0.000 1.125 628 Y CB -0.193 37.926 38.460 -0.567 0.000 0.975 628 Y HN 0.106 nan 8.280 nan 0.000 0.492 629 V N -0.526 119.263 119.914 -0.207 0.000 2.667 629 V HA -0.141 3.978 4.120 -0.001 0.000 0.252 629 V C 2.204 178.190 176.094 -0.179 0.000 1.065 629 V CA 1.963 64.121 62.300 -0.237 0.000 1.083 629 V CB -1.025 30.790 31.823 -0.012 0.000 0.692 629 V HN 0.609 nan 8.190 nan 0.000 0.468 630 S N 1.174 116.813 115.700 -0.103 0.000 2.356 630 S HA -0.208 4.261 4.470 -0.001 0.000 0.223 630 S C 2.066 176.595 174.600 -0.118 0.000 1.032 630 S CA 1.845 59.979 58.200 -0.110 0.000 1.005 630 S CB -1.084 62.118 63.200 0.003 0.000 0.867 630 S HN 0.681 nan 8.310 nan 0.000 0.449 631 S N 2.482 118.174 115.700 -0.013 0.000 2.369 631 S HA -0.067 4.403 4.470 -0.001 0.000 0.225 631 S C 1.833 176.301 174.600 -0.220 0.000 1.043 631 S CA 1.555 59.755 58.200 0.001 0.000 1.074 631 S CB -0.778 62.491 63.200 0.114 0.000 0.962 631 S HN 0.329 nan 8.310 nan 0.000 0.433 632 L N 1.441 122.493 121.223 -0.285 0.000 2.079 632 L HA -0.025 4.315 4.340 -0.001 0.000 0.210 632 L C 2.635 179.334 176.870 -0.285 0.000 1.081 632 L CA 1.720 56.361 54.840 -0.332 0.000 0.752 632 L CB -1.724 40.078 42.059 -0.429 0.000 0.896 632 L HN 0.352 nan 8.230 nan 0.000 0.433 633 A N -1.226 121.440 122.820 -0.257 0.000 1.930 633 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 633 A C 2.240 179.721 177.584 -0.172 0.000 1.175 633 A CA 1.340 53.267 52.037 -0.183 0.000 0.627 633 A CB -0.648 18.165 19.000 -0.313 0.000 0.815 633 A HN 0.333 nan 8.150 nan 0.000 0.443 634 L N -0.462 120.555 121.223 -0.343 0.000 2.093 634 L HA 0.071 4.410 4.340 -0.001 0.000 0.208 634 L C 2.240 178.870 176.870 -0.402 0.000 1.085 634 L CA 1.956 56.638 54.840 -0.264 0.000 0.755 634 L CB -0.501 41.400 42.059 -0.263 0.000 0.904 634 L HN 0.300 nan 8.230 nan 0.000 0.435 635 A N -2.257 120.156 122.820 -0.678 0.000 2.370 635 A HA 0.159 4.479 4.320 -0.001 0.000 0.238 635 A C 2.038 179.398 177.584 -0.373 0.000 1.289 635 A CA 0.589 52.198 52.037 -0.713 0.000 0.885 635 A CB -0.536 17.858 19.000 -1.010 0.000 0.961 635 A HN 0.353 nan 8.150 nan 0.000 0.499 636 S N -0.513 115.046 115.700 -0.236 0.000 2.474 636 S HA 0.143 4.612 4.470 -0.001 0.000 0.235 636 S C 1.656 176.154 174.600 -0.170 0.000 0.997 636 S CA 0.972 59.065 58.200 -0.179 0.000 0.949 636 S CB -0.264 62.919 63.200 -0.028 0.000 0.766 636 S HN 1.605 nan 8.310 nan 0.000 0.517 637 G N 1.410 110.164 108.800 -0.077 0.000 2.198 637 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.260 637 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.260 637 G C 0.649 175.559 174.900 0.016 0.000 1.025 637 G CA 0.919 46.048 45.100 0.049 0.000 0.769 637 G HN 0.693 nan 8.290 nan 0.000 0.507 638 T N -2.625 111.923 114.554 -0.010 0.000 3.069 638 T HA 0.450 4.799 4.350 -0.001 0.000 0.252 638 T C 1.956 176.626 174.700 -0.049 0.000 1.053 638 T CA 0.895 62.973 62.100 -0.035 0.000 0.964 638 T CB 0.505 69.336 68.868 -0.060 0.000 1.005 638 T HN 2.033 nan 8.240 nan 0.000 0.532 639 G N 1.403 110.194 108.800 -0.016 0.000 2.412 639 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.297 639 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.297 639 G C 0.351 175.206 174.900 -0.074 0.000 0.965 639 G CA 0.878 45.969 45.100 -0.014 0.000 1.134 639 G HN 0.585 nan 8.290 nan 0.000 0.511 640 L N -1.606 119.516 121.223 -0.169 0.000 2.515 640 L HA 0.428 4.767 4.340 -0.001 0.000 0.202 640 L C 0.944 177.628 176.870 -0.309 0.000 1.056 640 L CA -0.134 54.499 54.840 -0.344 0.000 0.847 640 L CB 0.115 41.787 42.059 -0.645 0.000 1.131 640 L HN 0.214 nan 8.230 nan 0.000 0.484 641 F N 0.784 120.771 119.950 0.061 0.000 2.438 641 F HA 0.163 4.689 4.527 -0.001 0.000 0.356 641 F C 1.410 177.273 175.800 0.106 0.000 1.099 641 F CA -0.147 57.915 58.000 0.103 0.000 1.185 641 F CB 0.546 39.606 39.000 0.099 0.000 1.115 641 F HN -0.128 nan 8.300 nan 0.000 0.526 642 K N 2.287 122.866 120.400 0.298 0.000 2.062 642 K HA -0.004 4.316 4.320 -0.001 0.000 0.205 642 K C 0.211 176.945 176.600 0.223 0.000 1.051 642 K CA 1.128 57.546 56.287 0.218 0.000 0.941 642 K CB 0.143 32.766 32.500 0.206 0.000 0.719 642 K HN 0.829 nan 8.250 nan 0.000 0.440 643 c N -2.853 115.903 118.600 0.260 0.000 3.323 643 c HA 0.904 5.474 4.570 -0.001 0.000 0.324 643 c C -0.183 174.122 174.090 0.359 0.000 1.428 643 c CA -0.573 55.934 56.329 0.296 0.000 1.368 643 c CB 1.188 43.773 42.510 0.124 0.000 1.731 643 c HN 0.348 nan 8.230 nan 0.000 0.455 644 G N 0.055 109.153 108.800 0.497 0.000 2.703 644 G HA2 0.672 4.632 3.960 -0.001 0.000 0.294 644 G HA3 0.672 4.632 3.960 -0.001 0.000 0.294 644 G C -1.878 173.291 174.900 0.450 0.000 1.451 644 G CA -0.652 44.699 45.100 0.419 0.000 0.869 644 G HN 0.973 nan 8.290 nan 0.000 0.516 645 I N 0.724 121.506 120.570 0.354 0.000 2.465 645 I HA 0.651 4.821 4.170 -0.001 0.000 0.291 645 I C 0.176 176.418 176.117 0.208 0.000 1.014 645 I CA -1.061 60.340 61.300 0.169 0.000 1.093 645 I CB 2.353 40.454 38.000 0.168 0.000 1.267 645 I HN 0.636 nan 8.210 nan 0.000 0.431 646 A N 6.392 129.230 122.820 0.030 0.000 2.323 646 A HA 0.692 5.011 4.320 -0.001 0.000 0.305 646 A C -0.709 176.811 177.584 -0.106 0.000 1.275 646 A CA -0.495 51.565 52.037 0.038 0.000 0.804 646 A CB 0.853 19.929 19.000 0.127 0.000 1.152 646 A HN 0.437 nan 8.150 nan 0.000 0.487 647 V N 2.124 121.960 119.914 -0.129 0.000 2.407 647 V HA 0.514 4.634 4.120 -0.001 0.000 0.278 647 V C 1.190 177.013 176.094 -0.452 0.000 1.037 647 V CA 0.429 62.483 62.300 -0.410 0.000 0.900 647 V CB 0.600 31.978 31.823 -0.741 0.000 0.983 647 V HN 2.042 nan 8.190 nan 0.000 0.459 648 A N 5.547 128.058 122.820 -0.515 0.000 2.596 648 A HA -0.114 4.205 4.320 -0.001 0.000 0.300 648 A C -1.497 175.960 177.584 -0.211 0.000 1.495 648 A CA 0.374 52.007 52.037 -0.673 0.000 0.769 648 A CB -1.732 17.044 19.000 -0.374 0.000 1.047 648 A HN 0.668 nan 8.150 nan 0.000 0.436 649 P HA 0.329 nan 4.420 nan 0.000 0.271 649 P C 0.296 177.537 177.300 -0.099 0.000 1.218 649 P CA 0.030 63.104 63.100 -0.044 0.000 0.780 649 P CB 0.965 32.665 31.700 -0.000 0.000 0.901 650 V N 2.639 122.389 119.914 -0.274 0.000 2.637 650 V HA 0.021 4.141 4.120 -0.001 0.000 0.296 650 V C 1.817 177.684 176.094 -0.379 0.000 1.046 650 V CA 1.037 63.026 62.300 -0.519 0.000 1.066 650 V CB 0.615 31.750 31.823 -1.146 0.000 0.968 650 V HN 0.808 nan 8.190 nan 0.000 0.483 651 S N 1.914 117.452 115.700 -0.270 0.000 2.514 651 S HA 0.220 4.689 4.470 -0.001 0.000 0.223 651 S C 0.598 175.084 174.600 -0.190 0.000 1.046 651 S CA 0.347 58.483 58.200 -0.107 0.000 0.914 651 S CB 0.536 63.735 63.200 -0.001 0.000 0.807 651 S HN 0.801 nan 8.310 nan 0.000 0.497 652 S N -0.815 114.662 115.700 -0.371 0.000 2.543 652 S HA 0.424 4.893 4.470 -0.001 0.000 0.273 652 S C -1.193 173.073 174.600 -0.556 0.000 1.152 652 S CA -0.764 57.144 58.200 -0.486 0.000 0.910 652 S CB 0.205 63.141 63.200 -0.440 0.000 1.105 652 S HN 0.418 nan 8.310 nan 0.000 0.465 653 W N 2.354 123.553 121.300 -0.168 0.000 2.721 653 W HA 0.115 4.775 4.660 -0.000 0.000 0.245 653 W C 2.026 178.628 176.519 0.138 0.000 1.276 653 W CA 0.518 57.834 57.345 -0.047 0.000 1.342 653 W CB 0.094 29.436 29.460 -0.197 0.000 1.135 653 W HN 0.891 nan 8.180 nan 0.000 0.654 654 E N -0.172 120.095 120.200 0.112 0.000 2.153 654 E HA -0.238 4.112 4.350 -0.001 0.000 0.194 654 E C 1.350 177.946 176.600 -0.006 0.000 0.988 654 E CA 1.332 57.713 56.400 -0.031 0.000 0.811 654 E CB -0.227 29.280 29.700 -0.322 0.000 0.746 654 E HN 0.338 nan 8.360 nan 0.000 0.466 655 Y N -1.405 118.978 120.300 0.137 0.000 2.517 655 Y HA 0.082 4.632 4.550 -0.001 0.000 0.281 655 Y C 0.556 176.576 175.900 0.200 0.000 1.125 655 Y CA -0.047 58.120 58.100 0.111 0.000 1.283 655 Y CB -0.385 38.082 38.460 0.011 0.000 1.042 655 Y HN 0.060 nan 8.280 nan 0.000 0.547 656 Y N 0.912 121.340 120.300 0.213 0.000 2.326 656 Y HA 0.590 5.140 4.550 -0.001 0.000 0.324 656 Y C 0.519 176.619 175.900 0.333 0.000 1.291 656 Y CA -2.064 56.174 58.100 0.230 0.000 1.348 656 Y CB 0.518 39.116 38.460 0.230 0.000 1.294 656 Y HN -0.025 nan 8.280 nan 0.000 0.525 657 A N 2.219 124.710 122.820 -0.548 0.000 2.540 657 A HA 0.213 4.532 4.320 -0.001 0.000 0.239 657 A C 1.223 178.699 177.584 -0.180 0.000 1.061 657 A CA 0.423 52.190 52.037 -0.449 0.000 0.758 657 A CB -0.401 18.166 19.000 -0.722 0.000 0.991 657 A HN 0.980 nan 8.150 nan 0.000 0.502 658 S N 2.496 118.149 115.700 -0.079 0.000 2.353 658 S HA -0.191 4.279 4.470 -0.001 0.000 0.222 658 S C 1.680 176.268 174.600 -0.021 0.000 1.035 658 S CA 1.558 59.774 58.200 0.025 0.000 1.025 658 S CB -1.168 62.071 63.200 0.063 0.000 0.902 658 S HN 0.615 nan 8.310 nan 0.000 0.440 659 V N 1.444 121.268 119.914 -0.149 0.000 2.220 659 V HA -0.270 3.849 4.120 -0.001 0.000 0.250 659 V C 2.266 178.190 176.094 -0.283 0.000 1.056 659 V CA 2.518 64.603 62.300 -0.359 0.000 1.016 659 V CB -1.157 30.366 31.823 -0.499 0.000 0.639 659 V HN 0.637 nan 8.190 nan 0.000 0.446 660 Y N 0.897 121.026 120.300 -0.285 0.000 2.145 660 Y HA -0.284 4.266 4.550 -0.001 0.000 0.286 660 Y C 2.708 178.531 175.900 -0.128 0.000 1.145 660 Y CA 2.398 60.395 58.100 -0.171 0.000 1.148 660 Y CB -0.377 38.157 38.460 0.124 0.000 0.981 660 Y HN 0.278 nan 8.280 nan 0.000 0.507 661 T N 0.258 115.008 114.554 0.327 0.000 2.674 661 T HA -0.195 4.155 4.350 -0.001 0.000 0.265 661 T C 1.515 176.233 174.700 0.030 0.000 1.039 661 T CA 1.882 64.159 62.100 0.295 0.000 1.150 661 T CB -0.327 68.785 68.868 0.407 0.000 0.864 661 T HN 0.433 nan 8.240 nan 0.000 0.427 662 E N 0.634 120.852 120.200 0.030 0.000 2.110 662 E HA -0.119 4.230 4.350 -0.001 0.000 0.193 662 E C 2.319 178.833 176.600 -0.142 0.000 0.988 662 E CA 0.681 57.096 56.400 0.025 0.000 0.804 662 E CB -0.139 29.611 29.700 0.083 0.000 0.745 662 E HN 0.290 nan 8.360 nan 0.000 0.458 663 R N 0.309 120.563 120.500 -0.411 0.000 2.134 663 R HA -0.213 4.126 4.340 -0.001 0.000 0.248 663 R C 1.435 177.268 176.300 -0.778 0.000 1.143 663 R CA 2.029 57.658 56.100 -0.786 0.000 0.957 663 R CB -0.210 29.156 30.300 -1.557 0.000 0.867 663 R HN 0.195 nan 8.270 nan 0.000 0.441 664 F N -2.285 117.411 119.950 -0.424 0.000 2.731 664 F HA 0.237 4.764 4.527 -0.001 0.000 0.298 664 F C 1.822 177.484 175.800 -0.229 0.000 1.106 664 F CA -0.262 57.503 58.000 -0.391 0.000 1.329 664 F CB 0.313 38.855 39.000 -0.764 0.000 1.100 664 F HN -0.041 nan 8.300 nan 0.000 0.592 665 M N -0.122 119.397 119.600 -0.136 0.000 2.379 665 M HA 0.369 4.849 4.480 -0.001 0.000 0.265 665 M C 1.319 177.579 176.300 -0.068 0.000 1.095 665 M CA 0.824 55.996 55.300 -0.214 0.000 1.075 665 M CB -0.259 32.067 32.600 -0.457 0.000 1.443 665 M HN 0.252 nan 8.290 nan 0.000 0.519 666 G N 1.662 110.459 108.800 -0.006 0.000 2.553 666 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.242 666 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.242 666 G C -0.804 174.220 174.900 0.207 0.000 1.277 666 G CA -0.680 44.459 45.100 0.066 0.000 0.910 666 G HN 0.250 nan 8.290 nan 0.000 0.576 667 L N 2.345 123.652 121.223 0.140 0.000 2.344 667 L HA 0.614 4.954 4.340 -0.001 0.000 0.272 667 L C -1.576 175.200 176.870 -0.157 0.000 1.035 667 L CA -1.756 53.095 54.840 0.019 0.000 0.807 667 L CB 1.673 43.722 42.059 -0.016 0.000 1.237 667 L HN 0.427 nan 8.230 nan 0.000 0.442 668 P HA 0.162 nan 4.420 nan 0.000 0.208 668 P C -0.726 176.402 177.300 -0.288 0.000 1.837 668 P CA -0.189 62.454 63.100 -0.763 0.000 0.953 668 P CB -0.214 30.791 31.700 -1.159 0.000 1.870 669 T N -3.614 110.855 114.554 -0.143 0.000 2.926 669 T HA 0.398 4.747 4.350 -0.001 0.000 0.289 669 T C 1.276 175.956 174.700 -0.033 0.000 1.054 669 T CA -0.824 61.231 62.100 -0.076 0.000 1.015 669 T CB 1.836 70.670 68.868 -0.056 0.000 1.167 669 T HN -0.190 nan 8.240 nan 0.000 0.526 670 K N 0.206 120.592 120.400 -0.023 0.000 2.052 670 K HA -0.232 4.088 4.320 -0.001 0.000 0.215 670 K C 1.602 178.202 176.600 -0.001 0.000 1.053 670 K CA 2.494 58.776 56.287 -0.008 0.000 0.934 670 K CB -0.344 32.151 32.500 -0.008 0.000 0.717 670 K HN 0.605 nan 8.250 nan 0.000 0.450 671 D N -0.109 120.288 120.400 -0.004 0.000 2.097 671 D HA -0.083 4.557 4.640 -0.001 0.000 0.197 671 D C 1.313 177.617 176.300 0.006 0.000 0.984 671 D CA 1.209 55.209 54.000 0.000 0.000 0.826 671 D CB -0.085 40.713 40.800 -0.003 0.000 0.973 671 D HN 0.175 nan 8.370 nan 0.000 0.460 672 D N -1.193 119.212 120.400 0.008 0.000 2.256 672 D HA 0.116 4.756 4.640 -0.001 0.000 0.279 672 D C 0.935 177.263 176.300 0.046 0.000 1.209 672 D CA 0.261 54.273 54.000 0.020 0.000 0.946 672 D CB 0.174 40.988 40.800 0.022 0.000 0.914 672 D HN -0.088 nan 8.370 nan 0.000 0.278 673 N N -0.607 118.152 118.700 0.099 0.000 2.184 673 N HA 0.033 4.773 4.740 -0.001 0.000 0.206 673 N C 1.571 177.246 175.510 0.275 0.000 1.151 673 N CA -0.125 53.036 53.050 0.185 0.000 0.878 673 N CB 0.537 39.165 38.487 0.236 0.000 1.014 673 N HN 0.074 nan 8.380 nan 0.000 0.512 674 L N 2.384 123.697 121.223 0.149 0.000 2.143 674 L HA -0.343 3.997 4.340 -0.001 0.000 0.231 674 L C 2.061 179.033 176.870 0.170 0.000 1.106 674 L CA 2.153 57.052 54.840 0.099 0.000 0.827 674 L CB -0.624 41.437 42.059 0.003 0.000 0.915 674 L HN 0.256 nan 8.230 nan 0.000 0.448 675 E N -1.793 118.488 120.200 0.135 0.000 2.114 675 E HA -0.334 4.016 4.350 -0.001 0.000 0.199 675 E C 2.202 178.899 176.600 0.162 0.000 1.008 675 E CA 1.752 58.225 56.400 0.122 0.000 0.810 675 E CB -0.294 29.465 29.700 0.099 0.000 0.739 675 E HN 0.791 nan 8.360 nan 0.000 0.456 676 H N -1.596 117.541 119.070 0.112 0.000 2.547 676 H HA -0.028 4.527 4.556 -0.001 0.000 0.272 676 H C 1.384 176.776 175.328 0.108 0.000 0.971 676 H CA 0.634 56.729 56.048 0.078 0.000 1.245 676 H CB 0.210 29.982 29.762 0.018 0.000 1.440 676 H HN 0.294 nan 8.280 nan 0.000 0.540 677 Y N 1.297 121.613 120.300 0.028 0.000 2.128 677 Y HA -0.243 4.306 4.550 -0.001 0.000 0.284 677 Y C 2.613 178.484 175.900 -0.049 0.000 1.154 677 Y CA 1.566 59.678 58.100 0.021 0.000 1.149 677 Y CB 0.075 38.560 38.460 0.042 0.000 0.976 677 Y HN 0.057 nan 8.280 nan 0.000 0.505 678 K N 0.275 120.754 120.400 0.131 0.000 2.032 678 K HA -0.205 4.115 4.320 -0.001 0.000 0.209 678 K C 1.750 178.343 176.600 -0.012 0.000 1.048 678 K CA 1.844 58.158 56.287 0.046 0.000 0.927 678 K CB -0.591 31.940 32.500 0.051 0.000 0.712 678 K HN 0.226 nan 8.250 nan 0.000 0.441 679 N N -0.626 118.042 118.700 -0.052 0.000 2.331 679 N HA -0.079 4.660 4.740 -0.001 0.000 0.180 679 N C 0.525 175.951 175.510 -0.140 0.000 1.019 679 N CA 0.991 53.998 53.050 -0.072 0.000 0.881 679 N CB 0.138 38.619 38.487 -0.010 0.000 0.972 679 N HN 0.173 nan 8.380 nan 0.000 0.435 680 S N -1.120 114.429 115.700 -0.252 0.000 2.614 680 S HA 0.080 4.550 4.470 -0.001 0.000 0.230 680 S C 0.605 175.211 174.600 0.010 0.000 0.952 680 S CA -0.412 57.681 58.200 -0.178 0.000 0.949 680 S CB -0.700 62.297 63.200 -0.338 0.000 0.786 680 S HN 0.274 nan 8.310 nan 0.000 0.478 681 T N -1.298 113.241 114.554 -0.026 0.000 2.816 681 T HA 0.421 4.771 4.350 -0.001 0.000 0.282 681 T C 1.336 176.035 174.700 -0.002 0.000 0.993 681 T CA -0.104 61.989 62.100 -0.012 0.000 0.994 681 T CB 1.279 70.123 68.868 -0.040 0.000 1.025 681 T HN 0.395 nan 8.240 nan 0.000 0.529 682 V N 1.088 121.007 119.914 0.008 0.000 2.649 682 V HA 0.018 4.138 4.120 -0.001 0.000 0.248 682 V C 2.339 178.455 176.094 0.036 0.000 1.054 682 V CA 1.306 63.610 62.300 0.007 0.000 1.073 682 V CB -1.101 30.730 31.823 0.014 0.000 0.699 682 V HN 0.846 nan 8.190 nan 0.000 0.463 683 M N 1.856 121.463 119.600 0.012 0.000 2.108 683 M HA -0.131 4.349 4.480 -0.001 0.000 0.257 683 M C 2.368 178.692 176.300 0.040 0.000 1.071 683 M CA 2.696 58.002 55.300 0.010 0.000 1.093 683 M CB -1.257 31.351 32.600 0.014 0.000 1.345 683 M HN 0.484 nan 8.290 nan 0.000 0.403 684 A N -0.580 122.261 122.820 0.036 0.000 2.131 684 A HA -0.122 4.197 4.320 -0.001 0.000 0.220 684 A C 1.861 179.503 177.584 0.097 0.000 1.158 684 A CA 1.360 53.427 52.037 0.049 0.000 0.665 684 A CB -0.453 18.559 19.000 0.020 0.000 0.795 684 A HN 0.422 nan 8.150 nan 0.000 0.460 685 R N -0.900 119.667 120.500 0.112 0.000 2.468 685 R HA 0.380 4.720 4.340 -0.001 0.000 0.280 685 R C 1.729 178.226 176.300 0.329 0.000 0.963 685 R CA 0.662 56.875 56.100 0.188 0.000 1.083 685 R CB -0.762 29.549 30.300 0.017 0.000 1.200 685 R HN 0.441 nan 8.270 nan 0.000 0.541 686 A N 1.626 124.595 122.820 0.248 0.000 1.873 686 A HA -0.283 4.037 4.320 -0.001 0.000 0.218 686 A C 2.126 179.857 177.584 0.245 0.000 1.193 686 A CA 1.990 54.165 52.037 0.229 0.000 0.629 686 A CB -0.295 18.742 19.000 0.063 0.000 0.826 686 A HN 0.247 nan 8.150 nan 0.000 0.447 687 E N -0.619 119.652 120.200 0.118 0.000 2.114 687 E HA -0.231 4.119 4.350 -0.001 0.000 0.199 687 E C 1.508 178.057 176.600 -0.085 0.000 1.008 687 E CA 1.930 58.301 56.400 -0.049 0.000 0.810 687 E CB -0.591 28.965 29.700 -0.240 0.000 0.739 687 E HN 0.755 nan 8.360 nan 0.000 0.456 688 Y N -1.441 118.874 120.300 0.026 0.000 2.616 688 Y HA -0.004 4.546 4.550 -0.000 0.000 0.296 688 Y C 1.327 177.152 175.900 -0.126 0.000 1.154 688 Y CA 0.337 58.394 58.100 -0.071 0.000 1.325 688 Y CB -0.130 38.240 38.460 -0.150 0.000 1.007 688 Y HN 0.050 nan 8.280 nan 0.000 0.542 689 F N -0.419 119.557 119.950 0.044 0.000 2.780 689 F HA 0.012 4.539 4.527 -0.001 0.000 0.299 689 F C 2.328 178.154 175.800 0.044 0.000 1.146 689 F CA 0.321 58.322 58.000 0.001 0.000 1.428 689 F CB -0.220 38.735 39.000 -0.075 0.000 1.115 689 F HN -0.090 nan 8.300 nan 0.000 0.583 690 R N 1.619 122.226 120.500 0.179 0.000 2.134 690 R HA -0.219 4.120 4.340 -0.001 0.000 0.248 690 R C 0.620 177.000 176.300 0.133 0.000 1.143 690 R CA 2.253 58.430 56.100 0.128 0.000 0.957 690 R CB -0.457 29.873 30.300 0.050 0.000 0.867 690 R HN 0.395 nan 8.270 nan 0.000 0.441 691 N N -0.110 118.658 118.700 0.114 0.000 2.535 691 N HA 0.125 4.865 4.740 -0.001 0.000 0.294 691 N C -0.711 174.875 175.510 0.128 0.000 1.408 691 N CA -0.182 52.932 53.050 0.107 0.000 0.927 691 N CB 1.363 39.893 38.487 0.072 0.000 1.276 691 N HN 0.068 nan 8.380 nan 0.000 0.505 692 V N -2.646 117.375 119.914 0.179 0.000 3.074 692 V HA 0.559 4.679 4.120 -0.001 0.000 0.314 692 V C -1.355 174.917 176.094 0.297 0.000 1.117 692 V CA -0.949 61.478 62.300 0.212 0.000 1.014 692 V CB 2.074 34.006 31.823 0.183 0.000 1.057 692 V HN -0.139 nan 8.190 nan 0.000 0.438 693 D N 1.993 122.588 120.400 0.325 0.000 2.396 693 D HA 0.355 4.995 4.640 -0.001 0.000 0.225 693 D C -0.961 175.747 176.300 0.681 0.000 1.121 693 D CA 0.411 54.674 54.000 0.439 0.000 0.853 693 D CB 0.810 41.785 40.800 0.292 0.000 1.043 693 D HN 0.734 nan 8.370 nan 0.000 0.500 694 Y N 2.261 122.831 120.300 0.450 0.000 2.323 694 Y HA 0.429 4.978 4.550 -0.001 0.000 0.331 694 Y C -0.917 175.078 175.900 0.158 0.000 1.092 694 Y CA -1.359 56.943 58.100 0.337 0.000 1.150 694 Y CB 1.022 39.616 38.460 0.224 0.000 1.200 694 Y HN 0.239 nan 8.280 nan 0.000 0.472 695 L N 7.572 128.575 121.223 -0.367 0.000 2.376 695 L HA 0.483 4.822 4.340 -0.001 0.000 0.275 695 L C -2.171 174.283 176.870 -0.693 0.000 0.987 695 L CA -0.730 53.711 54.840 -0.665 0.000 0.828 695 L CB 1.483 42.735 42.059 -1.345 0.000 1.249 695 L HN 0.633 nan 8.230 nan 0.000 0.409 696 L N 6.517 127.424 121.223 -0.527 0.000 2.319 696 L HA 0.670 5.010 4.340 -0.001 0.000 0.281 696 L C -1.151 175.586 176.870 -0.222 0.000 1.005 696 L CA 0.048 54.600 54.840 -0.480 0.000 0.828 696 L CB 1.182 42.970 42.059 -0.450 0.000 1.227 696 L HN 0.601 nan 8.230 nan 0.000 0.415 697 I N 4.772 125.223 120.570 -0.198 0.000 2.509 697 I HA 0.505 4.675 4.170 -0.001 0.000 0.293 697 I C -1.005 175.093 176.117 -0.032 0.000 1.020 697 I CA -0.634 60.600 61.300 -0.110 0.000 1.088 697 I CB 1.706 39.616 38.000 -0.149 0.000 1.267 697 I HN 0.542 nan 8.210 nan 0.000 0.430 698 H N 3.148 122.240 119.070 0.037 0.000 3.112 698 H HA 0.405 4.961 4.556 -0.001 0.000 0.347 698 H C -0.858 174.686 175.328 0.361 0.000 1.188 698 H CA -0.642 55.490 56.048 0.141 0.000 1.240 698 H CB 2.344 32.114 29.762 0.014 0.000 1.920 698 H HN 0.718 nan 8.280 nan 0.000 0.535 699 G N 0.969 110.148 108.800 0.631 0.000 2.353 699 G HA2 0.263 4.223 3.960 -0.001 0.000 0.284 699 G HA3 0.263 4.223 3.960 -0.001 0.000 0.284 699 G C 1.002 176.173 174.900 0.451 0.000 1.172 699 G CA 0.086 45.492 45.100 0.509 0.000 0.854 699 G HN 0.621 nan 8.290 nan 0.000 0.485 700 T N -0.825 113.862 114.554 0.221 0.000 3.163 700 T HA 0.205 4.555 4.350 -0.001 0.000 0.260 700 T C 1.491 176.101 174.700 -0.151 0.000 1.156 700 T CA 1.015 63.036 62.100 -0.132 0.000 1.072 700 T CB 0.279 68.966 68.868 -0.301 0.000 0.937 700 T HN 0.662 nan 8.240 nan 0.000 0.528 701 A N 0.651 123.437 122.820 -0.057 0.000 2.564 701 A HA 0.297 4.616 4.320 -0.001 0.000 0.279 701 A C 0.498 177.929 177.584 -0.254 0.000 1.232 701 A CA -0.479 51.389 52.037 -0.281 0.000 0.950 701 A CB -0.023 19.068 19.000 0.151 0.000 1.138 701 A HN 0.393 nan 8.150 nan 0.000 0.526 702 D N 1.954 122.335 120.400 -0.031 0.000 2.356 702 D HA -0.056 4.584 4.640 -0.001 0.000 0.272 702 D C 0.302 176.640 176.300 0.064 0.000 1.337 702 D CA 0.490 54.596 54.000 0.177 0.000 0.970 702 D CB 0.515 41.580 40.800 0.442 0.000 1.092 702 D HN 0.586 nan 8.370 nan 0.000 0.516 703 D N 2.188 122.667 120.400 0.131 0.000 2.347 703 D HA -0.132 4.507 4.640 -0.001 0.000 0.213 703 D C 1.119 177.443 176.300 0.040 0.000 0.985 703 D CA 0.127 54.183 54.000 0.094 0.000 0.879 703 D CB 0.090 40.930 40.800 0.067 0.000 0.919 703 D HN 0.486 nan 8.370 nan 0.000 0.526 704 N N 0.378 119.206 118.700 0.213 0.000 2.240 704 N HA -0.065 4.675 4.740 -0.001 0.000 0.187 704 N C -0.174 175.335 175.510 -0.001 0.000 1.042 704 N CA 0.352 53.579 53.050 0.295 0.000 0.861 704 N CB 0.708 39.416 38.487 0.368 0.000 1.026 704 N HN -0.135 nan 8.380 nan 0.000 0.441 705 V N 3.309 123.127 119.914 -0.161 0.000 2.311 705 V HA 0.236 4.356 4.120 -0.001 0.000 0.275 705 V C -0.842 175.260 176.094 0.014 0.000 1.022 705 V CA -0.693 61.503 62.300 -0.173 0.000 0.830 705 V CB 0.607 32.293 31.823 -0.229 0.000 1.012 705 V HN 0.320 nan 8.190 nan 0.000 0.452 706 H N 3.774 122.835 119.070 -0.015 0.000 2.732 706 H HA 0.081 4.637 4.556 -0.001 0.000 0.351 706 H C 0.876 176.078 175.328 -0.209 0.000 1.090 706 H CA -0.508 55.475 56.048 -0.109 0.000 1.431 706 H CB 0.712 30.340 29.762 -0.224 0.000 1.447 706 H HN 0.654 nan 8.280 nan 0.000 0.582 707 F N 2.248 121.962 119.950 -0.393 0.000 2.184 707 F HA -0.317 4.210 4.527 -0.001 0.000 0.301 707 F C 2.605 178.097 175.800 -0.513 0.000 1.076 707 F CA 1.965 59.472 58.000 -0.822 0.000 1.295 707 F CB -0.009 38.726 39.000 -0.440 0.000 1.026 707 F HN 0.671 nan 8.300 nan 0.000 0.494 708 Q N 0.455 120.136 119.800 -0.197 0.000 2.242 708 Q HA -0.337 4.003 4.340 -0.001 0.000 0.211 708 Q C 1.666 177.363 176.000 -0.506 0.000 0.992 708 Q CA 2.299 57.904 55.803 -0.329 0.000 0.889 708 Q CB -0.533 27.994 28.738 -0.352 0.000 0.913 708 Q HN 0.576 nan 8.270 nan 0.000 0.422 709 N N -0.304 118.141 118.700 -0.424 0.000 2.084 709 N HA -0.100 4.640 4.740 -0.001 0.000 0.190 709 N C 1.695 177.040 175.510 -0.275 0.000 1.030 709 N CA 1.798 54.687 53.050 -0.269 0.000 0.849 709 N CB -0.160 38.276 38.487 -0.085 0.000 1.012 709 N HN 0.102 nan 8.380 nan 0.000 0.423 710 S N -0.611 114.835 115.700 -0.423 0.000 2.436 710 S HA 0.146 4.615 4.470 -0.001 0.000 0.228 710 S C 1.881 176.175 174.600 -0.510 0.000 1.014 710 S CA 0.575 58.532 58.200 -0.406 0.000 0.950 710 S CB -0.137 62.835 63.200 -0.380 0.000 0.784 710 S HN 0.454 nan 8.310 nan 0.000 0.504 711 A N 1.112 123.529 122.820 -0.673 0.000 1.972 711 A HA -0.100 4.220 4.320 -0.001 0.000 0.219 711 A C 2.095 179.539 177.584 -0.234 0.000 1.169 711 A CA 1.062 52.850 52.037 -0.416 0.000 0.635 711 A CB -0.327 18.515 19.000 -0.263 0.000 0.810 711 A HN 0.384 nan 8.150 nan 0.000 0.446 712 Q N -0.497 119.160 119.800 -0.239 0.000 2.187 712 Q HA 0.052 4.392 4.340 -0.001 0.000 0.199 712 Q C 2.086 178.016 176.000 -0.116 0.000 0.957 712 Q CA 0.842 56.565 55.803 -0.134 0.000 0.857 712 Q CB -0.254 28.436 28.738 -0.080 0.000 0.929 712 Q HN 0.776 nan 8.270 nan 0.000 0.453 713 I N 0.753 121.226 120.570 -0.162 0.000 2.202 713 I HA -0.245 3.924 4.170 -0.001 0.000 0.242 713 I C 2.407 178.349 176.117 -0.292 0.000 1.091 713 I CA 1.031 62.210 61.300 -0.202 0.000 1.368 713 I CB -0.487 37.395 38.000 -0.196 0.000 1.058 713 I HN 0.050 nan 8.210 nan 0.000 0.410 714 A N 0.991 123.645 122.820 -0.277 0.000 1.865 714 A HA -0.297 4.023 4.320 -0.001 0.000 0.217 714 A C 2.402 179.948 177.584 -0.063 0.000 1.191 714 A CA 2.192 54.112 52.037 -0.193 0.000 0.623 714 A CB -0.677 18.351 19.000 0.046 0.000 0.826 714 A HN 0.363 nan 8.150 nan 0.000 0.444 715 K N -0.398 119.969 120.400 -0.055 0.000 2.074 715 K HA -0.168 4.151 4.320 -0.001 0.000 0.209 715 K C 2.140 178.724 176.600 -0.027 0.000 1.048 715 K CA 1.447 57.721 56.287 -0.021 0.000 0.926 715 K CB -0.354 32.128 32.500 -0.029 0.000 0.713 715 K HN 0.395 nan 8.250 nan 0.000 0.444 716 A N 1.275 124.056 122.820 -0.064 0.000 1.858 716 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 716 A C 2.141 179.689 177.584 -0.060 0.000 1.190 716 A CA 1.390 53.395 52.037 -0.053 0.000 0.617 716 A CB -0.671 18.293 19.000 -0.061 0.000 0.827 716 A HN 0.325 nan 8.150 nan 0.000 0.443 717 L N -0.423 120.715 121.223 -0.142 0.000 2.079 717 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 717 L C 2.517 179.414 176.870 0.045 0.000 1.081 717 L CA 1.082 55.850 54.840 -0.119 0.000 0.752 717 L CB -0.641 41.193 42.059 -0.374 0.000 0.896 717 L HN 0.250 nan 8.230 nan 0.000 0.433 718 V N 0.118 120.085 119.914 0.089 0.000 2.261 718 V HA -0.307 3.813 4.120 -0.001 0.000 0.246 718 V C 1.992 178.120 176.094 0.057 0.000 1.047 718 V CA 2.279 64.643 62.300 0.107 0.000 1.015 718 V CB -0.753 31.131 31.823 0.103 0.000 0.642 718 V HN 0.520 nan 8.190 nan 0.000 0.446 719 N N 0.091 118.811 118.700 0.034 0.000 2.348 719 N HA -0.123 4.616 4.740 -0.001 0.000 0.185 719 N C 1.493 177.017 175.510 0.023 0.000 1.019 719 N CA 1.041 54.105 53.050 0.023 0.000 0.880 719 N CB -0.181 38.315 38.487 0.014 0.000 0.965 719 N HN 0.513 nan 8.380 nan 0.000 0.437 720 A N 0.128 122.964 122.820 0.026 0.000 2.308 720 A HA 0.059 4.379 4.320 -0.001 0.000 0.217 720 A C 0.338 177.944 177.584 0.037 0.000 1.216 720 A CA -0.013 52.040 52.037 0.026 0.000 0.864 720 A CB 0.279 19.295 19.000 0.027 0.000 0.902 720 A HN 0.226 nan 8.150 nan 0.000 0.499 721 Q N -0.886 118.944 119.800 0.050 0.000 2.470 721 Q HA -0.126 4.214 4.340 -0.001 0.000 0.294 721 Q C -0.993 175.055 176.000 0.079 0.000 1.356 721 Q CA 0.615 56.453 55.803 0.058 0.000 0.805 721 Q CB -1.994 26.767 28.738 0.038 0.000 1.157 721 Q HN 0.349 nan 8.270 nan 0.000 0.431 722 V N 1.019 121.002 119.914 0.115 0.000 2.409 722 V HA 0.240 4.360 4.120 -0.001 0.000 0.291 722 V C 0.121 176.358 176.094 0.238 0.000 1.020 722 V CA -0.677 61.716 62.300 0.155 0.000 0.848 722 V CB 1.910 33.821 31.823 0.146 0.000 0.990 722 V HN 0.224 nan 8.190 nan 0.000 0.430 723 D N 4.143 124.665 120.400 0.202 0.000 2.372 723 D HA 0.484 5.124 4.640 -0.001 0.000 0.243 723 D C -0.530 175.973 176.300 0.338 0.000 1.121 723 D CA 0.420 54.535 54.000 0.191 0.000 0.898 723 D CB 0.669 41.534 40.800 0.108 0.000 1.202 723 D HN 0.369 nan 8.370 nan 0.000 0.428 724 F N -0.261 119.738 119.950 0.082 0.000 2.779 724 F HA 0.464 4.991 4.527 -0.000 0.000 0.316 724 F C -1.627 174.204 175.800 0.052 0.000 1.164 724 F CA -1.096 56.966 58.000 0.103 0.000 0.924 724 F CB 0.795 39.853 39.000 0.096 0.000 1.348 724 F HN 0.111 nan 8.300 nan 0.000 0.467 725 Q N 1.474 121.310 119.800 0.060 0.000 2.274 725 Q HA 0.815 5.155 4.340 -0.001 0.000 0.260 725 Q C -0.893 175.066 176.000 -0.069 0.000 0.974 725 Q CA -0.865 54.880 55.803 -0.097 0.000 0.876 725 Q CB 2.221 30.969 28.738 0.016 0.000 1.297 725 Q HN 1.052 nan 8.270 nan 0.000 0.446 726 A N 1.753 124.491 122.820 -0.136 0.000 2.527 726 A HA 0.891 5.210 4.320 -0.001 0.000 0.293 726 A C -1.268 176.249 177.584 -0.112 0.000 1.117 726 A CA -0.618 51.395 52.037 -0.039 0.000 0.723 726 A CB 2.073 21.113 19.000 0.067 0.000 1.313 726 A HN 0.664 nan 8.150 nan 0.000 0.411 727 M N 0.733 120.257 119.600 -0.127 0.000 2.325 727 M HA 0.575 5.055 4.480 -0.001 0.000 0.285 727 M C -2.149 174.011 176.300 -0.233 0.000 1.119 727 M CA -0.257 54.831 55.300 -0.354 0.000 0.959 727 M CB 1.285 33.560 32.600 -0.541 0.000 1.737 727 M HN 1.018 nan 8.290 nan 0.000 0.486 728 W N 4.225 125.324 121.300 -0.335 0.000 2.639 728 W HA 0.799 5.458 4.660 -0.001 0.000 0.347 728 W C -2.169 174.054 176.519 -0.493 0.000 1.067 728 W CA -0.863 56.368 57.345 -0.190 0.000 1.218 728 W CB 0.525 29.988 29.460 0.006 0.000 1.393 728 W HN 0.587 nan 8.180 nan 0.000 0.557 729 Y N 2.693 123.102 120.300 0.181 0.000 2.345 729 Y HA 0.387 4.937 4.550 -0.000 0.000 0.331 729 Y C 0.440 176.466 175.900 0.210 0.000 0.959 729 Y CA -0.994 57.130 58.100 0.040 0.000 1.204 729 Y CB 1.384 39.835 38.460 -0.015 0.000 1.135 729 Y HN 0.425 nan 8.280 nan 0.000 0.477 730 S N 3.659 119.562 115.700 0.337 0.000 2.537 730 S HA -0.021 4.449 4.470 -0.001 0.000 0.286 730 S C 0.145 174.865 174.600 0.201 0.000 1.299 730 S CA 0.024 58.397 58.200 0.289 0.000 1.067 730 S CB -0.015 63.295 63.200 0.184 0.000 0.864 730 S HN 0.772 nan 8.310 nan 0.000 0.494 731 D N 0.898 121.406 120.400 0.179 0.000 2.911 731 D HA -0.123 4.517 4.640 -0.001 0.000 0.227 731 D C -0.245 176.186 176.300 0.219 0.000 1.164 731 D CA 1.169 55.238 54.000 0.115 0.000 0.782 731 D CB -0.631 40.085 40.800 -0.141 0.000 1.094 731 D HN 0.403 nan 8.370 nan 0.000 0.425 732 Q N 0.157 120.092 119.800 0.225 0.000 2.266 732 Q HA 0.512 4.851 4.340 -0.001 0.000 0.261 732 Q C 0.861 177.011 176.000 0.250 0.000 0.985 732 Q CA -0.645 55.295 55.803 0.228 0.000 0.873 732 Q CB 1.672 30.535 28.738 0.210 0.000 1.306 732 Q HN 0.378 nan 8.270 nan 0.000 0.447 733 N N -0.410 118.450 118.700 0.267 0.000 2.752 733 N HA 0.058 4.798 4.740 -0.001 0.000 0.316 733 N C 0.752 176.486 175.510 0.374 0.000 1.343 733 N CA -0.115 53.123 53.050 0.312 0.000 0.875 733 N CB -0.268 38.430 38.487 0.351 0.000 1.120 733 N HN 0.533 nan 8.380 nan 0.000 0.562 734 H N -1.938 117.313 119.070 0.302 0.000 2.457 734 H HA 0.178 4.734 4.556 -0.001 0.000 0.294 734 H C 1.695 177.285 175.328 0.436 0.000 1.064 734 H CA 1.876 58.131 56.048 0.345 0.000 1.330 734 H CB -0.598 29.353 29.762 0.316 0.000 1.395 734 H HN 0.707 nan 8.280 nan 0.000 0.541 735 G N -0.475 108.500 108.800 0.291 0.000 2.494 735 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.216 735 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.216 735 G C 0.676 175.782 174.900 0.343 0.000 1.140 735 G CA 0.374 45.587 45.100 0.187 0.000 0.801 735 G HN 0.492 nan 8.290 nan 0.000 0.536 736 L N 1.084 122.479 121.223 0.286 0.000 3.717 736 L HA -0.200 4.139 4.340 -0.001 0.000 0.414 736 L C 1.007 177.939 176.870 0.104 0.000 1.228 736 L CA -0.118 54.812 54.840 0.151 0.000 0.918 736 L CB -2.642 39.462 42.059 0.075 0.000 1.865 736 L HN 0.420 nan 8.230 nan 0.000 0.922 737 S N -0.754 115.016 115.700 0.117 0.000 2.587 737 S HA 0.628 5.098 4.470 -0.001 0.000 0.260 737 S C 1.097 175.728 174.600 0.052 0.000 1.353 737 S CA -0.009 58.243 58.200 0.086 0.000 0.995 737 S CB 1.623 64.877 63.200 0.090 0.000 0.912 737 S HN 1.263 nan 8.310 nan 0.000 0.568 738 G N 0.101 108.927 108.800 0.043 0.000 2.598 738 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.244 738 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.244 738 G C 0.159 175.067 174.900 0.014 0.000 1.302 738 G CA 0.035 45.153 45.100 0.030 0.000 0.903 738 G HN 0.964 nan 8.290 nan 0.000 0.575 739 L N 0.910 122.141 121.223 0.013 0.000 2.349 739 L HA 0.016 4.356 4.340 -0.001 0.000 0.220 739 L C 3.064 179.930 176.870 -0.007 0.000 1.130 739 L CA 2.601 57.449 54.840 0.014 0.000 0.791 739 L CB -0.861 41.213 42.059 0.025 0.000 0.918 739 L HN 0.638 nan 8.230 nan 0.000 0.444 740 S N -1.510 114.149 115.700 -0.068 0.000 2.383 740 S HA -0.195 4.275 4.470 -0.001 0.000 0.229 740 S C 1.909 176.348 174.600 -0.269 0.000 1.030 740 S CA 1.712 59.757 58.200 -0.259 0.000 1.002 740 S CB -0.122 62.890 63.200 -0.314 0.000 0.829 740 S HN 0.567 nan 8.310 nan 0.000 0.467 741 T N 2.704 117.213 114.554 -0.075 0.000 2.643 741 T HA -0.089 4.261 4.350 -0.001 0.000 0.264 741 T C 1.711 176.474 174.700 0.104 0.000 1.045 741 T CA 1.156 63.293 62.100 0.062 0.000 1.155 741 T CB -0.576 68.367 68.868 0.124 0.000 0.863 741 T HN 0.460 nan 8.240 nan 0.000 0.420 742 N N 0.669 119.400 118.700 0.051 0.000 2.058 742 N HA -0.253 4.487 4.740 -0.001 0.000 0.200 742 N C 1.820 177.350 175.510 0.034 0.000 1.033 742 N CA 1.690 54.758 53.050 0.031 0.000 0.880 742 N CB -0.610 37.889 38.487 0.020 0.000 1.069 742 N HN 0.453 nan 8.380 nan 0.000 0.461 743 H N 1.291 120.338 119.070 -0.039 0.000 2.289 743 H HA -0.135 4.420 4.556 -0.001 0.000 0.296 743 H C 2.338 177.672 175.328 0.010 0.000 1.091 743 H CA 1.702 57.755 56.048 0.009 0.000 1.274 743 H CB -0.277 29.522 29.762 0.061 0.000 1.364 743 H HN 0.177 nan 8.280 nan 0.000 0.490 744 L N 0.253 121.484 121.223 0.013 0.000 2.012 744 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 744 L C 2.136 178.790 176.870 -0.359 0.000 1.073 744 L CA 1.735 56.488 54.840 -0.144 0.000 0.748 744 L CB -1.184 40.603 42.059 -0.452 0.000 0.891 744 L HN 0.159 nan 8.230 nan 0.000 0.431 745 Y N -0.223 119.874 120.300 -0.339 0.000 2.314 745 Y HA -0.144 4.405 4.550 -0.001 0.000 0.293 745 Y C 2.495 178.132 175.900 -0.438 0.000 1.129 745 Y CA 1.651 59.386 58.100 -0.609 0.000 1.201 745 Y CB -0.550 37.563 38.460 -0.579 0.000 0.999 745 Y HN 0.226 nan 8.280 nan 0.000 0.541 746 T N -1.705 112.773 114.554 -0.127 0.000 2.737 746 T HA -0.223 4.127 4.350 -0.001 0.000 0.265 746 T C 1.531 176.172 174.700 -0.098 0.000 1.038 746 T CA 1.794 63.807 62.100 -0.146 0.000 1.144 746 T CB -0.445 68.347 68.868 -0.126 0.000 0.866 746 T HN 0.393 nan 8.240 nan 0.000 0.434 747 H N 0.701 119.696 119.070 -0.125 0.000 2.387 747 H HA 0.133 4.688 4.556 -0.001 0.000 0.299 747 H C 2.108 177.439 175.328 0.005 0.000 1.090 747 H CA 1.451 57.490 56.048 -0.015 0.000 1.332 747 H CB -0.223 29.523 29.762 -0.026 0.000 1.386 747 H HN 0.252 nan 8.280 nan 0.000 0.516 748 M N -1.072 118.435 119.600 -0.155 0.000 2.200 748 M HA -0.113 4.367 4.480 -0.001 0.000 0.265 748 M C 2.362 178.734 176.300 0.119 0.000 1.066 748 M CA 1.751 56.959 55.300 -0.152 0.000 1.127 748 M CB -0.037 32.262 32.600 -0.501 0.000 1.379 748 M HN 0.448 nan 8.290 nan 0.000 0.420 749 T N -1.886 112.752 114.554 0.141 0.000 3.023 749 T HA -0.115 4.234 4.350 -0.001 0.000 0.266 749 T C 1.652 176.425 174.700 0.122 0.000 1.093 749 T CA 0.924 63.212 62.100 0.314 0.000 1.129 749 T CB -0.312 68.877 68.868 0.534 0.000 0.899 749 T HN 0.330 nan 8.240 nan 0.000 0.491 750 H N -0.195 118.922 119.070 0.078 0.000 2.321 750 H HA 0.022 4.577 4.556 -0.000 0.000 0.300 750 H C 1.868 177.204 175.328 0.014 0.000 1.087 750 H CA 1.576 57.636 56.048 0.020 0.000 1.319 750 H CB -0.767 28.966 29.762 -0.047 0.000 1.379 750 H HN 0.538 nan 8.280 nan 0.000 0.501 751 F N 1.218 121.140 119.950 -0.045 0.000 2.046 751 F HA -0.213 4.313 4.527 -0.001 0.000 0.297 751 F C 2.443 178.199 175.800 -0.072 0.000 1.123 751 F CA 1.178 59.124 58.000 -0.089 0.000 1.199 751 F CB -0.448 38.465 39.000 -0.144 0.000 0.972 751 F HN -0.032 nan 8.300 nan 0.000 0.474 752 L N 0.055 121.269 121.223 -0.015 0.000 2.012 752 L HA -0.260 4.080 4.340 -0.001 0.000 0.210 752 L C 2.480 179.178 176.870 -0.286 0.000 1.073 752 L CA 1.718 56.381 54.840 -0.296 0.000 0.748 752 L CB -0.799 41.145 42.059 -0.193 0.000 0.891 752 L HN 0.121 nan 8.230 nan 0.000 0.431 753 K N -0.367 120.002 120.400 -0.052 0.000 2.020 753 K HA -0.254 4.066 4.320 -0.001 0.000 0.212 753 K C 2.335 178.945 176.600 0.017 0.000 1.050 753 K CA 1.546 57.856 56.287 0.039 0.000 0.929 753 K CB -0.129 32.429 32.500 0.097 0.000 0.714 753 K HN 0.184 nan 8.250 nan 0.000 0.443 754 Q N 0.052 119.831 119.800 -0.036 0.000 2.124 754 Q HA -0.202 4.138 4.340 -0.001 0.000 0.202 754 Q C 2.317 178.246 176.000 -0.118 0.000 0.977 754 Q CA 1.634 57.399 55.803 -0.063 0.000 0.850 754 Q CB -0.349 28.340 28.738 -0.082 0.000 0.901 754 Q HN 0.501 nan 8.270 nan 0.000 0.429 755 c N -0.185 118.247 118.600 -0.281 0.000 2.432 755 c HA -0.068 4.501 4.570 -0.001 0.000 0.280 755 c C 1.983 176.096 174.090 0.038 0.000 1.353 755 c CA 0.308 56.463 56.329 -0.291 0.000 1.766 755 c CB -1.023 41.121 42.510 -0.611 0.000 1.924 755 c HN 0.429 nan 8.230 nan 0.000 0.509 756 F N 2.073 121.990 119.950 -0.056 0.000 2.695 756 F HA 0.257 4.784 4.527 -0.001 0.000 0.303 756 F C 1.813 177.603 175.800 -0.017 0.000 1.091 756 F CA 0.085 58.074 58.000 -0.019 0.000 1.300 756 F CB -1.247 37.751 39.000 -0.003 0.000 1.071 756 F HN 0.312 nan 8.300 nan 0.000 0.578 757 S N 0.000 115.793 115.700 0.155 0.000 2.498 757 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 757 S CA 0.000 58.250 58.200 0.083 0.000 1.107 757 S CB 0.000 63.229 63.200 0.049 0.000 0.593 757 S HN 0.000 nan 8.310 nan 0.000 0.517