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 3k4x_1_A DATA FIRST_RESID 2 DATA SEQUENCE LEAKFEEASL FKRIIDGFKD CVQLVNFQCK EDGIIAQAVD DSRVLLVSLE DATA SEQUENCE IGVEAFQEYR CDHPVTLGMD LTSLSKILRC GNNTDTLTLI ADNTPDSIIL DATA SEQUENCE LFEDTKKDRI AEYSLKLMDI DADFLKIEEL QYDSTLSLPS SEFSKIVRDL DATA SEQUENCE SQLSDSINIM ITKETIKFVA DGDIGSGSVI IKPFVDMEHP ETSIKLEMDQ DATA SEQUENCE PVDLTFGAKY LLDIIKGSSL SDRVGIRLSS EAPALFQFDL KSGFLQFFLA DATA SEQUENCE PKXXXXXXXX XXXXXXXLEA KFEEASLFKR IIDGFKDCVQ LVNFQCKEDG DATA SEQUENCE IIAQAVDDSR VLLVSLEIGV EAFQEYRCDH PVTLGMDLTS LSKILRCGNN DATA SEQUENCE TDTLTLIADN TPDSIILLFE DTKKDRIAEY SLKLMDIDAD FLKIEELQYD DATA SEQUENCE STLSLPSSEF SKIVRDLSQL SDSINIMITK ETIKFVADGD IGSGSVIIKP DATA SEQUENCE FVDMEHPETS IKLEMDQPVD LTFGAKYLLD IIKGSSLSDR VGIRLSSEAP DATA SEQUENCE ALFQFDLKSG FLQFFLAPKF NXXXXXXXXX XXXXLEAKFE EASLFKRIID DATA SEQUENCE GFKDCVQLVN FQCKEDGIIA QAVDDSRVLL VSLEIGVEAF QEYRCDHPVT DATA SEQUENCE LGMDLTSLSK ILRCGNNTDT LTLIADNTPD SIILLFEDTK KDRIAEYSLK DATA SEQUENCE LMDIDADFLK IEELQYDSTL SLPSSEFSKI VRDLSQLSDS INIMITKETI DATA SEQUENCE KFVADGDIGS GSVIIKPFVD MEHPETSIKL EMDQPVDLTF GAKYLLDIIK DATA SEQUENCE GSSLSDRVGI RLSSEAPALF QFDLKSGFLQ FFLAPK 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.704 176.870 -0.277 0.000 1.165 2 L CA 0.000 54.695 54.840 -0.241 0.000 0.813 2 L CB 0.000 41.939 42.059 -0.201 0.000 0.961 3 E N 4.145 124.100 120.200 -0.408 0.000 2.448 3 E HA 0.751 5.139 4.350 0.064 0.000 0.288 3 E C -1.893 174.394 176.600 -0.522 0.000 0.936 3 E CA -0.273 55.908 56.400 -0.366 0.000 0.809 3 E CB 1.393 30.941 29.700 -0.254 0.000 1.408 3 E HN 0.926 nan 8.360 nan 0.000 0.393 4 A N 4.576 127.076 122.820 -0.535 0.000 2.335 4 A HA 0.581 4.939 4.320 0.064 0.000 0.304 4 A C -1.019 176.296 177.584 -0.449 0.000 1.118 4 A CA -0.903 50.731 52.037 -0.671 0.000 0.757 4 A CB 0.849 19.243 19.000 -1.011 0.000 1.188 4 A HN 0.507 nan 8.150 nan 0.000 0.460 5 K N 1.847 122.066 120.400 -0.301 0.000 2.292 5 K HA 0.735 5.094 4.320 0.064 0.000 0.257 5 K C -1.517 175.028 176.600 -0.091 0.000 0.940 5 K CA -0.406 55.788 56.287 -0.155 0.000 0.811 5 K CB 1.199 33.657 32.500 -0.069 0.000 1.120 5 K HN 0.301 nan 8.250 nan 0.000 0.428 6 F N 1.862 121.878 119.950 0.108 0.000 2.396 6 F HA 0.159 4.724 4.527 0.064 0.000 0.343 6 F C 1.834 177.662 175.800 0.045 0.000 1.104 6 F CA -0.497 57.549 58.000 0.077 0.000 1.161 6 F CB 1.385 40.400 39.000 0.026 0.000 1.146 6 F HN 0.832 nan 8.300 nan 0.000 0.522 7 E N 1.014 121.334 120.200 0.200 0.000 2.085 7 E HA -0.155 4.233 4.350 0.064 0.000 0.194 7 E C -0.074 176.607 176.600 0.134 0.000 0.994 7 E CA 1.093 57.571 56.400 0.130 0.000 0.801 7 E CB 0.264 30.020 29.700 0.092 0.000 0.743 7 E HN 0.483 nan 8.360 nan 0.000 0.453 8 E N -0.784 119.508 120.200 0.154 0.000 2.155 8 E HA 0.235 4.623 4.350 0.064 0.000 0.264 8 E C -0.078 176.592 176.600 0.117 0.000 0.886 8 E CA 0.013 56.485 56.400 0.119 0.000 0.752 8 E CB 1.736 31.485 29.700 0.082 0.000 1.133 8 E HN 0.216 nan 8.360 nan 0.000 0.414 9 A N 2.861 125.754 122.820 0.121 0.000 2.024 9 A HA -0.215 4.144 4.320 0.064 0.000 0.220 9 A C 2.088 179.698 177.584 0.042 0.000 1.164 9 A CA 2.056 54.152 52.037 0.097 0.000 0.643 9 A CB -0.406 18.740 19.000 0.244 0.000 0.806 9 A HN 0.601 nan 8.150 nan 0.000 0.451 10 S N -0.024 115.704 115.700 0.047 0.000 2.387 10 S HA -0.223 4.285 4.470 0.064 0.000 0.230 10 S C 1.822 176.403 174.600 -0.031 0.000 1.035 10 S CA 1.515 59.721 58.200 0.010 0.000 1.014 10 S CB -0.735 62.475 63.200 0.017 0.000 0.836 10 S HN 0.531 nan 8.310 nan 0.000 0.466 11 L N 0.549 121.750 121.223 -0.037 0.000 2.012 11 L HA 0.035 4.413 4.340 0.064 0.000 0.210 11 L C 2.182 178.982 176.870 -0.117 0.000 1.073 11 L CA 1.869 56.677 54.840 -0.053 0.000 0.748 11 L CB -1.119 40.935 42.059 -0.007 0.000 0.891 11 L HN 0.333 nan 8.230 nan 0.000 0.431 12 F N 0.348 119.969 119.950 -0.547 0.000 2.234 12 F HA -0.136 4.430 4.527 0.064 0.000 0.299 12 F C 2.479 178.123 175.800 -0.260 0.000 1.087 12 F CA 1.763 59.390 58.000 -0.621 0.000 1.340 12 F CB -0.396 37.911 39.000 -1.156 0.000 1.031 12 F HN 0.174 nan 8.300 nan 0.000 0.500 13 K N 0.228 120.495 120.400 -0.221 0.000 2.057 13 K HA -0.164 4.194 4.320 0.064 0.000 0.206 13 K C 2.260 178.750 176.600 -0.183 0.000 1.050 13 K CA 1.287 57.440 56.287 -0.223 0.000 0.935 13 K CB -0.099 32.335 32.500 -0.109 0.000 0.715 13 K HN 0.177 nan 8.250 nan 0.000 0.439 14 R N 0.420 120.852 120.500 -0.113 0.000 2.120 14 R HA -0.071 4.308 4.340 0.064 0.000 0.234 14 R C 2.303 178.575 176.300 -0.045 0.000 1.123 14 R CA 1.484 57.543 56.100 -0.068 0.000 0.975 14 R CB -0.253 30.028 30.300 -0.033 0.000 0.866 14 R HN 0.282 nan 8.270 nan 0.000 0.446 15 I N -0.034 120.511 120.570 -0.041 0.000 2.193 15 I HA -0.238 3.970 4.170 0.064 0.000 0.240 15 I C 1.868 178.060 176.117 0.125 0.000 1.084 15 I CA 0.998 62.344 61.300 0.077 0.000 1.365 15 I CB -0.201 37.889 38.000 0.150 0.000 1.064 15 I HN 0.038 nan 8.210 nan 0.000 0.410 16 I N 1.156 121.640 120.570 -0.144 0.000 2.208 16 I HA -0.309 3.900 4.170 0.064 0.000 0.245 16 I C 1.967 177.873 176.117 -0.351 0.000 1.097 16 I CA 1.669 62.767 61.300 -0.338 0.000 1.363 16 I CB -0.713 36.992 38.000 -0.491 0.000 1.051 16 I HN 0.189 nan 8.210 nan 0.000 0.413 17 D N 0.221 120.497 120.400 -0.208 0.000 2.218 17 D HA -0.124 4.554 4.640 0.064 0.000 0.204 17 D C 2.326 178.575 176.300 -0.085 0.000 0.976 17 D CA 1.329 55.235 54.000 -0.157 0.000 0.853 17 D CB -0.597 40.130 40.800 -0.122 0.000 0.939 17 D HN 0.418 nan 8.370 nan 0.000 0.481 18 G N 0.482 109.292 108.800 0.017 0.000 2.440 18 G HA2 -0.222 3.776 3.960 0.064 0.000 0.218 18 G HA3 -0.222 3.776 3.960 0.064 0.000 0.218 18 G C 0.979 176.065 174.900 0.309 0.000 1.154 18 G CA 0.947 46.127 45.100 0.132 0.000 0.767 18 G HN 0.430 nan 8.290 nan 0.000 0.552 19 F N -0.051 119.955 119.950 0.093 0.000 2.775 19 F HA 0.424 4.990 4.527 0.064 0.000 0.313 19 F C 1.648 177.500 175.800 0.087 0.000 1.121 19 F CA -0.737 57.360 58.000 0.162 0.000 1.206 19 F CB -0.080 38.998 39.000 0.129 0.000 1.052 19 F HN 0.180 nan 8.300 nan 0.000 0.524 20 K N -0.516 119.689 120.400 -0.325 0.000 2.366 20 K HA 0.010 4.369 4.320 0.064 0.000 0.198 20 K C 0.211 176.737 176.600 -0.123 0.000 1.044 20 K CA 1.368 57.462 56.287 -0.322 0.000 0.973 20 K CB -0.212 32.101 32.500 -0.311 0.000 0.767 20 K HN 0.079 nan 8.250 nan 0.000 0.475 21 D N 0.721 121.091 120.400 -0.050 0.000 2.346 21 D HA -0.001 4.677 4.640 0.064 0.000 0.206 21 D C 1.482 177.796 176.300 0.023 0.000 1.001 21 D CA 0.605 54.592 54.000 -0.022 0.000 0.871 21 D CB 0.396 41.177 40.800 -0.032 0.000 0.943 21 D HN 0.524 nan 8.370 nan 0.000 0.518 22 C N -0.548 118.799 119.300 0.079 0.000 3.070 22 C HA 0.498 4.996 4.460 0.064 0.000 0.280 22 C C 0.636 175.706 174.990 0.134 0.000 1.264 22 C CA -0.666 58.425 59.018 0.122 0.000 1.690 22 C CB -0.727 27.123 27.740 0.184 0.000 2.049 22 C HN -0.001 nan 8.230 nan 0.000 0.636 23 V N 0.029 120.013 119.914 0.118 0.000 2.686 23 V HA 0.534 4.692 4.120 0.064 0.000 0.306 23 V C 0.439 176.571 176.094 0.063 0.000 1.065 23 V CA -0.083 62.287 62.300 0.117 0.000 0.894 23 V CB 1.414 33.351 31.823 0.191 0.000 1.004 23 V HN 0.462 nan 8.190 nan 0.000 0.424 24 Q N 4.878 124.714 119.800 0.061 0.000 2.259 24 Q HA 0.390 4.768 4.340 0.064 0.000 0.201 24 Q C -0.207 175.827 176.000 0.057 0.000 0.938 24 Q CA 0.532 56.359 55.803 0.041 0.000 0.872 24 Q CB 0.469 29.229 28.738 0.037 0.000 0.971 24 Q HN 0.721 nan 8.270 nan 0.000 0.494 25 L N 2.130 123.402 121.223 0.082 0.000 2.438 25 L HA 0.627 5.005 4.340 0.064 0.000 0.270 25 L C -1.064 175.884 176.870 0.131 0.000 0.972 25 L CA -1.250 53.652 54.840 0.103 0.000 0.831 25 L CB 2.425 44.536 42.059 0.086 0.000 1.273 25 L HN 0.131 nan 8.230 nan 0.000 0.405 26 V N -0.333 119.686 119.914 0.177 0.000 3.078 26 V HA 0.676 4.834 4.120 0.064 0.000 0.311 26 V C -1.211 175.005 176.094 0.203 0.000 1.138 26 V CA -0.658 61.743 62.300 0.168 0.000 1.007 26 V CB 2.373 34.304 31.823 0.180 0.000 1.045 26 V HN 0.680 nan 8.190 nan 0.000 0.432 27 N N 1.631 120.404 118.700 0.122 0.000 2.400 27 N HA 0.651 5.430 4.740 0.064 0.000 0.288 27 N C -1.391 174.167 175.510 0.080 0.000 1.024 27 N CA -0.258 52.896 53.050 0.172 0.000 0.894 27 N CB 1.373 39.939 38.487 0.131 0.000 1.173 27 N HN 0.736 nan 8.380 nan 0.000 0.487 28 F N 1.346 121.369 119.950 0.122 0.000 2.313 28 F HA 0.276 4.842 4.527 0.064 0.000 0.369 28 F C 0.645 176.477 175.800 0.054 0.000 1.109 28 F CA -0.711 57.355 58.000 0.111 0.000 1.132 28 F CB 0.817 39.912 39.000 0.159 0.000 1.291 28 F HN 0.129 nan 8.300 nan 0.000 0.496 29 Q N 3.482 123.334 119.800 0.087 0.000 2.337 29 Q HA 0.307 4.685 4.340 0.064 0.000 0.255 29 Q C -0.795 175.211 176.000 0.011 0.000 0.997 29 Q CA -0.489 55.325 55.803 0.019 0.000 0.925 29 Q CB 1.028 29.719 28.738 -0.079 0.000 1.212 29 Q HN 0.581 nan 8.270 nan 0.000 0.436 30 C N 3.577 122.906 119.300 0.049 0.000 2.388 30 C HA 0.490 4.988 4.460 0.064 0.000 0.362 30 C C 0.402 175.400 174.990 0.014 0.000 1.266 30 C CA -0.527 58.529 59.018 0.063 0.000 2.028 30 C CB -0.003 27.777 27.740 0.067 0.000 2.440 30 C HN 0.806 nan 8.230 nan 0.000 0.547 31 K N 1.504 121.927 120.400 0.039 0.000 2.283 31 K HA 0.359 4.717 4.320 0.064 0.000 0.257 31 K C 0.265 176.907 176.600 0.071 0.000 1.066 31 K CA -0.709 55.575 56.287 -0.006 0.000 0.891 31 K CB 0.952 33.414 32.500 -0.063 0.000 1.438 31 K HN 0.329 nan 8.250 nan 0.000 0.464 32 E N 1.077 121.290 120.200 0.021 0.000 2.150 32 E HA -0.175 4.213 4.350 0.064 0.000 0.193 32 E C 0.681 177.277 176.600 -0.006 0.000 0.985 32 E CA 1.531 57.963 56.400 0.053 0.000 0.814 32 E CB -0.118 29.585 29.700 0.005 0.000 0.752 32 E HN 0.564 nan 8.360 nan 0.000 0.466 33 D N -1.024 119.331 120.400 -0.075 0.000 2.328 33 D HA 0.206 4.884 4.640 0.064 0.000 0.221 33 D C 0.844 176.999 176.300 -0.242 0.000 1.072 33 D CA 0.521 54.441 54.000 -0.134 0.000 0.850 33 D CB 0.270 41.017 40.800 -0.087 0.000 0.922 33 D HN 0.112 nan 8.370 nan 0.000 0.516 34 G N -0.487 108.104 108.800 -0.349 0.000 2.334 34 G HA2 0.077 4.075 3.960 0.064 0.000 0.315 34 G HA3 0.077 4.075 3.960 0.064 0.000 0.315 34 G C -1.489 173.321 174.900 -0.151 0.000 1.284 34 G CA -0.746 44.079 45.100 -0.458 0.000 0.985 34 G HN 0.150 nan 8.290 nan 0.000 0.504 35 I N 1.159 121.728 120.570 -0.002 0.000 2.437 35 I HA 0.686 4.894 4.170 0.064 0.000 0.298 35 I C 0.498 176.617 176.117 0.003 0.000 0.984 35 I CA -0.946 60.422 61.300 0.113 0.000 1.214 35 I CB 1.580 39.783 38.000 0.338 0.000 1.365 35 I HN 0.728 nan 8.210 nan 0.000 0.469 36 I N 2.614 123.129 120.570 -0.092 0.000 2.686 36 I HA 0.942 5.151 4.170 0.064 0.000 0.295 36 I C -1.120 174.833 176.117 -0.273 0.000 1.114 36 I CA -0.570 60.573 61.300 -0.262 0.000 1.038 36 I CB 2.256 39.891 38.000 -0.609 0.000 1.238 36 I HN 0.587 nan 8.210 nan 0.000 0.420 37 A N 4.534 127.214 122.820 -0.234 0.000 2.498 37 A HA 0.830 5.189 4.320 0.064 0.000 0.298 37 A C -1.259 176.320 177.584 -0.008 0.000 1.075 37 A CA -0.556 51.313 52.037 -0.280 0.000 0.714 37 A CB 2.264 20.768 19.000 -0.827 0.000 1.299 37 A HN 0.874 nan 8.150 nan 0.000 0.407 38 Q N 0.213 120.050 119.800 0.061 0.000 2.352 38 Q HA 0.656 5.034 4.340 0.064 0.000 0.270 38 Q C -1.365 174.653 176.000 0.031 0.000 1.006 38 Q CA -0.296 55.545 55.803 0.064 0.000 0.880 38 Q CB 2.114 30.907 28.738 0.091 0.000 1.392 38 Q HN 1.870 nan 8.270 nan 0.000 0.401 39 A N 1.941 124.772 122.820 0.019 0.000 2.581 39 A HA 0.847 5.205 4.320 0.064 0.000 0.290 39 A C -1.562 176.061 177.584 0.065 0.000 1.119 39 A CA -0.452 51.620 52.037 0.059 0.000 0.670 39 A CB 1.418 20.485 19.000 0.112 0.000 1.280 39 A HN 0.472 nan 8.150 nan 0.000 0.425 40 V N 0.841 120.800 119.914 0.076 0.000 3.046 40 V HA 0.540 4.699 4.120 0.064 0.000 0.316 40 V C -0.207 175.951 176.094 0.106 0.000 1.104 40 V CA -0.632 61.717 62.300 0.081 0.000 1.006 40 V CB 1.741 33.594 31.823 0.051 0.000 1.058 40 V HN 1.088 nan 8.190 nan 0.000 0.440 41 D N 0.214 120.685 120.400 0.118 0.000 2.398 41 D HA 0.057 4.735 4.640 0.064 0.000 0.264 41 D C 0.342 176.709 176.300 0.111 0.000 1.263 41 D CA -0.241 53.840 54.000 0.135 0.000 1.037 41 D CB 0.550 41.459 40.800 0.183 0.000 1.101 41 D HN 0.446 nan 8.370 nan 0.000 0.551 42 D N -0.629 119.839 120.400 0.113 0.000 2.097 42 D HA -0.158 4.521 4.640 0.064 0.000 0.195 42 D C 2.066 178.422 176.300 0.094 0.000 0.989 42 D CA 2.343 56.398 54.000 0.091 0.000 0.827 42 D CB -0.536 40.310 40.800 0.078 0.000 0.966 42 D HN 0.516 nan 8.370 nan 0.000 0.456 43 S N -0.339 115.439 115.700 0.131 0.000 2.481 43 S HA -0.037 4.471 4.470 0.064 0.000 0.231 43 S C 0.950 175.604 174.600 0.090 0.000 0.996 43 S CA 0.282 58.560 58.200 0.131 0.000 0.942 43 S CB -0.056 63.279 63.200 0.225 0.000 0.768 43 S HN 0.190 nan 8.310 nan 0.000 0.520 44 R N -0.921 119.625 120.500 0.076 0.000 3.532 44 R HA -0.109 4.269 4.340 0.064 0.000 0.284 44 R C 0.544 176.848 176.300 0.007 0.000 1.140 44 R CA 0.604 56.730 56.100 0.042 0.000 0.768 44 R CB -2.274 28.049 30.300 0.039 0.000 1.252 44 R HN 0.472 nan 8.270 nan 0.000 0.454 45 V N -0.815 119.072 119.914 -0.045 0.000 3.359 45 V HA 0.264 4.422 4.120 0.064 0.000 0.245 45 V C 0.288 176.287 176.094 -0.159 0.000 1.247 45 V CA 0.662 62.885 62.300 -0.128 0.000 1.145 45 V CB 0.553 32.235 31.823 -0.235 0.000 0.906 45 V HN 0.194 nan 8.190 nan 0.000 0.464 46 L N 2.625 123.745 121.223 -0.172 0.000 2.295 46 L HA 0.553 4.931 4.340 0.064 0.000 0.288 46 L C -0.576 176.354 176.870 0.100 0.000 1.079 46 L CA -0.131 54.688 54.840 -0.035 0.000 0.830 46 L CB 0.838 42.915 42.059 0.030 0.000 1.200 46 L HN 0.370 nan 8.230 nan 0.000 0.438 47 L N 6.439 127.751 121.223 0.149 0.000 2.275 47 L HA 0.599 4.978 4.340 0.064 0.000 0.288 47 L C -0.874 176.111 176.870 0.193 0.000 1.046 47 L CA -0.035 54.892 54.840 0.145 0.000 0.805 47 L CB 1.537 43.656 42.059 0.100 0.000 1.193 47 L HN 0.375 nan 8.230 nan 0.000 0.426 48 V N 4.326 124.289 119.914 0.081 0.000 2.459 48 V HA 0.621 4.780 4.120 0.064 0.000 0.295 48 V C -0.117 175.900 176.094 -0.127 0.000 1.029 48 V CA -0.391 61.849 62.300 -0.100 0.000 0.874 48 V CB 1.554 33.286 31.823 -0.151 0.000 0.985 48 V HN 0.851 nan 8.190 nan 0.000 0.438 49 S N 4.609 120.228 115.700 -0.134 0.000 2.594 49 S HA 0.746 5.255 4.470 0.064 0.000 0.296 49 S C -1.303 173.254 174.600 -0.072 0.000 1.124 49 S CA -0.480 57.717 58.200 -0.004 0.000 1.011 49 S CB 1.258 64.577 63.200 0.198 0.000 1.016 49 S HN 0.616 nan 8.310 nan 0.000 0.485 50 L N 4.240 125.392 121.223 -0.118 0.000 2.341 50 L HA 0.733 5.112 4.340 0.064 0.000 0.278 50 L C -0.753 176.032 176.870 -0.141 0.000 1.005 50 L CA 0.053 54.779 54.840 -0.190 0.000 0.818 50 L CB 1.604 43.456 42.059 -0.345 0.000 1.259 50 L HN 0.635 nan 8.230 nan 0.000 0.418 51 E N 5.864 125.877 120.200 -0.311 0.000 2.244 51 E HA 0.406 4.795 4.350 0.064 0.000 0.260 51 E C -1.529 174.824 176.600 -0.411 0.000 0.884 51 E CA -0.302 55.826 56.400 -0.453 0.000 0.777 51 E CB 1.537 30.722 29.700 -0.858 0.000 1.197 51 E HN 0.659 nan 8.360 nan 0.000 0.416 52 I N 3.171 123.624 120.570 -0.196 0.000 2.390 52 I HA 0.327 4.535 4.170 0.064 0.000 0.283 52 I C 0.867 176.923 176.117 -0.102 0.000 1.016 52 I CA -0.833 60.391 61.300 -0.126 0.000 1.151 52 I CB 1.691 39.705 38.000 0.024 0.000 1.293 52 I HN 0.394 nan 8.210 nan 0.000 0.458 53 G N 3.898 112.605 108.800 -0.155 0.000 2.606 53 G HA2 0.314 4.313 3.960 0.064 0.000 0.252 53 G HA3 0.314 4.313 3.960 0.064 0.000 0.252 53 G C 1.025 175.880 174.900 -0.075 0.000 1.206 53 G CA -0.490 44.534 45.100 -0.126 0.000 0.861 53 G HN 0.395 nan 8.290 nan 0.000 0.561 54 V N 0.650 120.485 119.914 -0.133 0.000 2.392 54 V HA -0.133 4.026 4.120 0.064 0.000 0.249 54 V C 2.499 178.630 176.094 0.062 0.000 1.059 54 V CA 1.904 64.136 62.300 -0.115 0.000 1.051 54 V CB -0.371 31.349 31.823 -0.171 0.000 0.658 54 V HN 0.635 nan 8.190 nan 0.000 0.455 55 E N 0.136 120.334 120.200 -0.004 0.000 2.515 55 E HA -0.018 4.370 4.350 0.064 0.000 0.201 55 E C 2.016 178.600 176.600 -0.027 0.000 1.071 55 E CA 0.939 57.340 56.400 0.002 0.000 0.880 55 E CB -0.216 29.478 29.700 -0.010 0.000 0.828 55 E HN 0.628 nan 8.360 nan 0.000 0.540 56 A N -0.017 122.741 122.820 -0.104 0.000 2.132 56 A HA 0.125 4.484 4.320 0.064 0.000 0.213 56 A C 0.679 178.041 177.584 -0.369 0.000 1.154 56 A CA 0.114 51.994 52.037 -0.261 0.000 0.753 56 A CB 0.012 18.768 19.000 -0.407 0.000 0.826 56 A HN 0.026 nan 8.150 nan 0.000 0.469 57 F N -1.426 118.471 119.950 -0.088 0.000 2.457 57 F HA 0.394 4.959 4.527 0.064 0.000 0.330 57 F C 1.555 177.317 175.800 -0.064 0.000 1.069 57 F CA -0.504 57.415 58.000 -0.134 0.000 1.009 57 F CB 1.008 39.894 39.000 -0.190 0.000 1.276 57 F HN 0.094 nan 8.300 nan 0.000 0.492 58 Q N 0.034 119.918 119.800 0.140 0.000 2.302 58 Q HA 0.013 4.392 4.340 0.064 0.000 0.202 58 Q C -0.245 175.793 176.000 0.063 0.000 0.936 58 Q CA 0.995 56.846 55.803 0.080 0.000 0.886 58 Q CB 0.556 29.331 28.738 0.061 0.000 0.986 58 Q HN 0.558 nan 8.270 nan 0.000 0.487 59 E N -0.509 119.725 120.200 0.058 0.000 2.343 59 E HA 0.115 4.503 4.350 0.064 0.000 0.286 59 E C -2.257 174.307 176.600 -0.061 0.000 0.915 59 E CA -0.567 55.834 56.400 0.002 0.000 0.784 59 E CB 1.286 30.963 29.700 -0.037 0.000 1.251 59 E HN 0.201 nan 8.360 nan 0.000 0.407 60 Y N 4.354 124.528 120.300 -0.211 0.000 2.373 60 Y HA 0.538 5.126 4.550 0.064 0.000 0.336 60 Y C -0.979 174.771 175.900 -0.250 0.000 0.979 60 Y CA -0.689 57.189 58.100 -0.369 0.000 1.080 60 Y CB 1.075 39.256 38.460 -0.465 0.000 1.190 60 Y HN 0.408 nan 8.280 nan 0.000 0.446 61 R N 6.114 126.232 120.500 -0.636 0.000 2.518 61 R HA 0.433 4.811 4.340 0.064 0.000 0.296 61 R C -2.240 173.754 176.300 -0.511 0.000 1.080 61 R CA -0.277 55.588 56.100 -0.391 0.000 0.922 61 R CB 0.838 30.993 30.300 -0.241 0.000 1.184 61 R HN 0.813 nan 8.270 nan 0.000 0.445 62 C N 5.638 124.734 119.300 -0.339 0.000 2.409 62 C HA 0.297 4.796 4.460 0.064 0.000 0.297 62 C C 1.038 175.969 174.990 -0.099 0.000 1.083 62 C CA -0.651 58.218 59.018 -0.249 0.000 1.515 62 C CB -0.090 27.557 27.740 -0.155 0.000 1.869 62 C HN 0.811 nan 8.230 nan 0.000 0.413 63 D N 1.255 121.607 120.400 -0.080 0.000 2.103 63 D HA -0.090 4.588 4.640 0.064 0.000 0.190 63 D C 0.540 176.871 176.300 0.051 0.000 0.997 63 D CA 1.909 55.900 54.000 -0.015 0.000 0.833 63 D CB -0.022 40.772 40.800 -0.011 0.000 0.961 63 D HN 0.836 nan 8.370 nan 0.000 0.447 64 H N -1.498 117.541 119.070 -0.051 0.000 2.806 64 H HA 0.366 4.960 4.556 0.064 0.000 0.367 64 H C -2.608 172.704 175.328 -0.027 0.000 1.136 64 H CA -2.026 54.003 56.048 -0.032 0.000 1.178 64 H CB 2.044 31.790 29.762 -0.027 0.000 1.718 64 H HN -0.296 nan 8.280 nan 0.000 0.540 65 P HA -0.016 nan 4.420 nan 0.000 0.256 65 P C -0.920 176.292 177.300 -0.146 0.000 1.189 65 P CA 0.203 63.100 63.100 -0.339 0.000 0.808 65 P CB -0.028 31.432 31.700 -0.401 0.000 0.793 66 V N 1.428 121.335 119.914 -0.012 0.000 2.581 66 V HA 0.651 4.810 4.120 0.064 0.000 0.303 66 V C -0.022 176.103 176.094 0.053 0.000 1.041 66 V CA -0.464 61.872 62.300 0.060 0.000 0.907 66 V CB 2.026 33.886 31.823 0.061 0.000 0.994 66 V HN 0.243 nan 8.190 nan 0.000 0.442 67 T N 5.837 120.434 114.554 0.072 0.000 2.758 67 T HA 0.659 5.047 4.350 0.064 0.000 0.285 67 T C -0.676 174.092 174.700 0.114 0.000 0.981 67 T CA -0.094 62.061 62.100 0.091 0.000 0.965 67 T CB 0.971 69.888 68.868 0.082 0.000 0.927 67 T HN 0.503 nan 8.240 nan 0.000 0.448 68 L N 3.971 125.294 121.223 0.166 0.000 2.313 68 L HA 0.486 4.864 4.340 0.064 0.000 0.273 68 L C 0.826 177.843 176.870 0.245 0.000 1.028 68 L CA -0.316 54.626 54.840 0.170 0.000 0.871 68 L CB 0.832 42.972 42.059 0.136 0.000 1.242 68 L HN 0.775 nan 8.230 nan 0.000 0.434 69 G N 4.914 113.824 108.800 0.183 0.000 2.339 69 G HA2 0.631 4.629 3.960 0.064 0.000 0.287 69 G HA3 0.631 4.629 3.960 0.064 0.000 0.287 69 G C -0.306 174.694 174.900 0.166 0.000 1.163 69 G CA -0.367 44.850 45.100 0.194 0.000 0.872 69 G HN 0.512 nan 8.290 nan 0.000 0.464 70 M N 1.247 120.969 119.600 0.202 0.000 2.644 70 M HA 0.464 4.983 4.480 0.064 0.000 0.273 70 M C -1.915 174.467 176.300 0.136 0.000 1.253 70 M CA -1.107 54.276 55.300 0.138 0.000 0.852 70 M CB 2.384 35.039 32.600 0.092 0.000 1.708 70 M HN 0.297 nan 8.290 nan 0.000 0.471 71 D N 1.847 122.296 120.400 0.081 0.000 2.316 71 D HA 0.332 5.010 4.640 0.064 0.000 0.245 71 D C 0.714 177.031 176.300 0.028 0.000 1.171 71 D CA -0.214 53.820 54.000 0.057 0.000 0.856 71 D CB 1.364 42.186 40.800 0.036 0.000 1.090 71 D HN 0.779 nan 8.370 nan 0.000 0.476 72 L N 2.784 124.016 121.223 0.014 0.000 2.131 72 L HA -0.178 4.200 4.340 0.064 0.000 0.210 72 L C 2.309 179.128 176.870 -0.084 0.000 1.092 72 L CA 0.933 55.738 54.840 -0.058 0.000 0.759 72 L CB -0.464 41.514 42.059 -0.135 0.000 0.903 72 L HN 0.437 nan 8.230 nan 0.000 0.435 73 T N -0.787 113.733 114.554 -0.057 0.000 2.684 73 T HA -0.175 4.214 4.350 0.064 0.000 0.267 73 T C 2.163 176.831 174.700 -0.053 0.000 1.036 73 T CA 1.792 63.857 62.100 -0.058 0.000 1.148 73 T CB -0.137 68.709 68.868 -0.037 0.000 0.863 73 T HN 0.303 nan 8.240 nan 0.000 0.436 74 S N 1.371 117.053 115.700 -0.031 0.000 2.356 74 S HA -0.033 4.475 4.470 0.064 0.000 0.223 74 S C 1.965 176.545 174.600 -0.034 0.000 1.032 74 S CA 0.762 58.950 58.200 -0.021 0.000 1.005 74 S CB -0.560 62.642 63.200 0.004 0.000 0.867 74 S HN 0.277 nan 8.310 nan 0.000 0.449 75 L N 2.578 123.777 121.223 -0.041 0.000 2.042 75 L HA -0.117 4.262 4.340 0.064 0.000 0.210 75 L C 2.357 179.167 176.870 -0.101 0.000 1.076 75 L CA 2.238 57.044 54.840 -0.057 0.000 0.749 75 L CB -1.033 40.978 42.059 -0.079 0.000 0.893 75 L HN 0.418 nan 8.230 nan 0.000 0.432 76 S N -1.496 114.126 115.700 -0.129 0.000 2.423 76 S HA -0.176 4.332 4.470 0.064 0.000 0.231 76 S C 1.953 176.474 174.600 -0.131 0.000 1.014 76 S CA 0.951 59.060 58.200 -0.152 0.000 0.965 76 S CB -0.544 62.560 63.200 -0.160 0.000 0.785 76 S HN 0.539 nan 8.310 nan 0.000 0.495 77 K N 0.982 121.317 120.400 -0.110 0.000 2.097 77 K HA 0.151 4.510 4.320 0.064 0.000 0.205 77 K C 1.941 178.443 176.600 -0.163 0.000 1.050 77 K CA 1.451 57.669 56.287 -0.114 0.000 0.938 77 K CB -0.360 32.093 32.500 -0.078 0.000 0.718 77 K HN 0.430 nan 8.250 nan 0.000 0.442 78 I N 0.669 121.149 120.570 -0.151 0.000 2.676 78 I HA -0.188 4.020 4.170 0.064 0.000 0.259 78 I C 1.551 177.519 176.117 -0.248 0.000 1.194 78 I CA 0.501 61.650 61.300 -0.252 0.000 1.473 78 I CB 0.046 37.999 38.000 -0.077 0.000 1.096 78 I HN 0.060 nan 8.210 nan 0.000 0.443 79 L N 0.362 121.514 121.223 -0.119 0.000 2.418 79 L HA 0.026 4.405 4.340 0.064 0.000 0.218 79 L C 2.328 179.122 176.870 -0.127 0.000 1.125 79 L CA 1.279 56.099 54.840 -0.032 0.000 0.835 79 L CB -0.669 41.342 42.059 -0.080 0.000 0.953 79 L HN 0.095 nan 8.230 nan 0.000 0.454 80 R N -1.865 118.518 120.500 -0.195 0.000 2.189 80 R HA 0.018 4.396 4.340 0.064 0.000 0.218 80 R C 0.860 176.997 176.300 -0.271 0.000 1.074 80 R CA 0.247 56.231 56.100 -0.193 0.000 0.991 80 R CB -0.498 29.701 30.300 -0.167 0.000 0.883 80 R HN 0.269 nan 8.270 nan 0.000 0.457 81 C N 1.006 120.038 119.300 -0.447 0.000 2.595 81 C HA 0.535 5.033 4.460 0.064 0.000 0.384 81 C C 1.070 175.600 174.990 -0.767 0.000 1.289 81 C CA -0.452 58.211 59.018 -0.592 0.000 2.372 81 C CB 0.310 27.456 27.740 -0.990 0.000 2.593 81 C HN 0.741 nan 8.230 nan 0.000 0.639 82 G N 2.801 111.271 108.800 -0.549 0.000 3.138 82 G HA2 -0.176 3.822 3.960 0.064 0.000 0.685 82 G HA3 -0.176 3.822 3.960 0.064 0.000 0.685 82 G C -0.478 174.302 174.900 -0.199 0.000 0.995 82 G CA -0.291 44.539 45.100 -0.451 0.000 0.849 82 G HN 1.033 nan 8.290 nan 0.000 0.537 83 N N 1.280 119.944 118.700 -0.061 0.000 2.356 83 N HA -0.012 4.766 4.740 0.064 0.000 0.252 83 N C 1.501 177.038 175.510 0.045 0.000 1.241 83 N CA 0.112 53.157 53.050 -0.008 0.000 0.861 83 N CB 0.333 38.829 38.487 0.016 0.000 1.075 83 N HN 0.483 nan 8.380 nan 0.000 0.461 84 N N 0.650 119.369 118.700 0.031 0.000 2.635 84 N HA -0.102 4.676 4.740 0.064 0.000 0.191 84 N C 0.885 176.440 175.510 0.075 0.000 1.155 84 N CA 1.031 54.116 53.050 0.058 0.000 0.927 84 N CB -0.173 38.328 38.487 0.023 0.000 0.976 84 N HN 0.731 nan 8.380 nan 0.000 0.448 85 T N -3.758 110.839 114.554 0.072 0.000 3.086 85 T HA 0.123 4.511 4.350 0.064 0.000 0.250 85 T C 0.278 175.035 174.700 0.095 0.000 1.074 85 T CA -0.437 61.706 62.100 0.070 0.000 0.988 85 T CB 0.235 69.132 68.868 0.048 0.000 0.988 85 T HN -0.175 nan 8.240 nan 0.000 0.530 86 D N 2.504 122.987 120.400 0.138 0.000 2.344 86 D HA 0.250 4.929 4.640 0.064 0.000 0.244 86 D C -0.167 176.236 176.300 0.171 0.000 1.134 86 D CA 0.123 54.228 54.000 0.175 0.000 0.930 86 D CB 0.974 41.938 40.800 0.273 0.000 1.175 86 D HN 0.059 nan 8.370 nan 0.000 0.437 87 T N 1.784 116.420 114.554 0.136 0.000 2.739 87 T HA 0.228 4.617 4.350 0.064 0.000 0.298 87 T C 0.110 174.840 174.700 0.050 0.000 0.929 87 T CA -0.534 61.626 62.100 0.100 0.000 1.014 87 T CB 0.048 68.959 68.868 0.072 0.000 0.914 87 T HN 0.079 nan 8.240 nan 0.000 0.509 88 L N 4.847 126.087 121.223 0.029 0.000 2.349 88 L HA 0.510 4.889 4.340 0.064 0.000 0.275 88 L C -0.004 176.851 176.870 -0.024 0.000 1.115 88 L CA 0.475 55.220 54.840 -0.158 0.000 0.820 88 L CB 0.894 42.861 42.059 -0.154 0.000 1.135 88 L HN 0.528 nan 8.230 nan 0.000 0.445 89 T N 6.170 120.644 114.554 -0.135 0.000 2.965 89 T HA 0.438 4.826 4.350 0.064 0.000 0.306 89 T C -0.413 174.210 174.700 -0.128 0.000 0.991 89 T CA -0.468 61.568 62.100 -0.107 0.000 1.001 89 T CB 0.661 69.473 68.868 -0.093 0.000 0.984 89 T HN 0.434 nan 8.240 nan 0.000 0.446 90 L N 4.327 125.460 121.223 -0.151 0.000 2.331 90 L HA 0.594 4.972 4.340 0.064 0.000 0.278 90 L C -0.279 176.493 176.870 -0.164 0.000 1.106 90 L CA -0.549 54.201 54.840 -0.149 0.000 0.824 90 L CB 0.550 42.501 42.059 -0.181 0.000 1.142 90 L HN 0.537 nan 8.230 nan 0.000 0.443 91 I N 2.871 123.373 120.570 -0.113 0.000 2.499 91 I HA 0.633 4.841 4.170 0.064 0.000 0.288 91 I C -0.419 175.651 176.117 -0.078 0.000 1.048 91 I CA -0.395 60.840 61.300 -0.108 0.000 1.062 91 I CB 2.078 40.030 38.000 -0.080 0.000 1.238 91 I HN 0.659 nan 8.210 nan 0.000 0.426 92 A N 5.050 127.818 122.820 -0.087 0.000 2.422 92 A HA 0.676 5.034 4.320 0.064 0.000 0.302 92 A C -1.083 176.471 177.584 -0.050 0.000 1.041 92 A CA -0.802 51.202 52.037 -0.055 0.000 0.708 92 A CB 1.196 20.168 19.000 -0.047 0.000 1.257 92 A HN 0.704 nan 8.150 nan 0.000 0.414 93 D N 1.762 122.143 120.400 -0.031 0.000 2.377 93 D HA 0.072 4.750 4.640 0.064 0.000 0.245 93 D C 0.369 176.658 176.300 -0.018 0.000 1.196 93 D CA -0.655 53.327 54.000 -0.029 0.000 0.962 93 D CB 0.498 41.284 40.800 -0.023 0.000 1.127 93 D HN 0.373 nan 8.370 nan 0.000 0.471 94 N N -0.380 118.306 118.700 -0.023 0.000 2.137 94 N HA -0.116 4.662 4.740 0.064 0.000 0.190 94 N C 0.589 176.091 175.510 -0.013 0.000 1.017 94 N CA 1.389 54.426 53.050 -0.021 0.000 0.859 94 N CB -0.291 38.159 38.487 -0.062 0.000 1.002 94 N HN 0.693 nan 8.380 nan 0.000 0.428 95 T N -0.875 113.669 114.554 -0.016 0.000 3.150 95 T HA 0.476 4.865 4.350 0.064 0.000 0.383 95 T C -3.038 171.663 174.700 0.001 0.000 1.313 95 T CA -1.895 60.202 62.100 -0.005 0.000 1.235 95 T CB 1.865 70.724 68.868 -0.014 0.000 1.088 95 T HN -0.163 nan 8.240 nan 0.000 0.556 96 P HA 0.429 nan 4.420 nan 0.000 0.287 96 P C 0.107 177.417 177.300 0.017 0.000 1.281 96 P CA -0.345 62.761 63.100 0.011 0.000 0.781 96 P CB 1.166 32.875 31.700 0.015 0.000 0.903 97 D N 0.349 120.758 120.400 0.014 0.000 2.149 97 D HA -0.036 4.642 4.640 0.064 0.000 0.201 97 D C 0.672 176.986 176.300 0.024 0.000 0.972 97 D CA 1.366 55.377 54.000 0.019 0.000 0.835 97 D CB 0.221 41.030 40.800 0.015 0.000 0.966 97 D HN 0.464 nan 8.370 nan 0.000 0.476 98 S N -1.195 114.519 115.700 0.022 0.000 2.638 98 S HA 0.523 5.031 4.470 0.064 0.000 0.274 98 S C -0.738 173.875 174.600 0.022 0.000 1.157 98 S CA -1.024 57.193 58.200 0.027 0.000 0.826 98 S CB 1.970 65.189 63.200 0.031 0.000 1.139 98 S HN 0.056 nan 8.310 nan 0.000 0.474 99 I N 0.862 121.447 120.570 0.026 0.000 2.525 99 I HA 0.582 4.791 4.170 0.064 0.000 0.301 99 I C -1.428 174.707 176.117 0.030 0.000 0.992 99 I CA -1.650 59.659 61.300 0.016 0.000 1.162 99 I CB 1.075 39.080 38.000 0.008 0.000 1.332 99 I HN 0.685 nan 8.210 nan 0.000 0.458 100 I N 7.608 128.187 120.570 0.016 0.000 2.382 100 I HA 0.261 4.469 4.170 0.064 0.000 0.286 100 I C -1.036 175.100 176.117 0.031 0.000 1.002 100 I CA -0.691 60.630 61.300 0.036 0.000 1.135 100 I CB 1.503 39.514 38.000 0.017 0.000 1.288 100 I HN 0.351 nan 8.210 nan 0.000 0.448 101 L N 7.139 128.415 121.223 0.089 0.000 2.334 101 L HA 0.486 4.864 4.340 0.064 0.000 0.277 101 L C -0.583 176.336 176.870 0.082 0.000 1.075 101 L CA -0.388 54.483 54.840 0.051 0.000 0.804 101 L CB 1.299 43.432 42.059 0.123 0.000 1.174 101 L HN 0.394 nan 8.230 nan 0.000 0.438 102 L N 3.533 124.701 121.223 -0.092 0.000 2.504 102 L HA 0.552 4.930 4.340 0.064 0.000 0.265 102 L C -1.318 175.498 176.870 -0.090 0.000 0.975 102 L CA -0.032 54.814 54.840 0.009 0.000 0.864 102 L CB 0.768 42.827 42.059 -0.001 0.000 1.212 102 L HN 0.218 nan 8.230 nan 0.000 0.416 103 F N 2.752 122.790 119.950 0.147 0.000 2.399 103 F HA 0.655 5.220 4.527 0.064 0.000 0.334 103 F C 0.408 176.264 175.800 0.094 0.000 1.097 103 F CA -0.367 57.711 58.000 0.129 0.000 1.076 103 F CB 1.414 40.510 39.000 0.160 0.000 1.162 103 F HN 0.368 nan 8.300 nan 0.000 0.495 104 E N 1.840 122.181 120.200 0.235 0.000 2.307 104 E HA 0.151 4.539 4.350 0.064 0.000 0.280 104 E C -1.470 175.201 176.600 0.118 0.000 0.900 104 E CA -0.922 55.566 56.400 0.146 0.000 0.790 104 E CB 1.971 31.725 29.700 0.089 0.000 1.261 104 E HN 0.593 nan 8.360 nan 0.000 0.405 105 D N 1.456 121.913 120.400 0.095 0.000 2.414 105 D HA 0.070 4.748 4.640 0.064 0.000 0.251 105 D C 0.862 177.183 176.300 0.036 0.000 1.252 105 D CA -0.272 53.767 54.000 0.066 0.000 0.999 105 D CB 0.518 41.347 40.800 0.049 0.000 1.093 105 D HN 0.191 nan 8.370 nan 0.000 0.515 106 T N -0.541 114.026 114.554 0.022 0.000 2.684 106 T HA -0.125 4.263 4.350 0.064 0.000 0.267 106 T C 1.019 175.710 174.700 -0.014 0.000 1.036 106 T CA 1.134 63.238 62.100 0.007 0.000 1.148 106 T CB -0.195 68.675 68.868 0.003 0.000 0.863 106 T HN 0.316 nan 8.240 nan 0.000 0.436 107 K N 0.991 121.368 120.400 -0.039 0.000 2.136 107 K HA 0.223 4.581 4.320 0.064 0.000 0.237 107 K C 0.880 177.441 176.600 -0.064 0.000 1.048 107 K CA -0.121 56.117 56.287 -0.082 0.000 0.880 107 K CB 0.360 32.763 32.500 -0.162 0.000 1.105 107 K HN 0.075 nan 8.250 nan 0.000 0.507 108 K N 0.908 121.255 120.400 -0.088 0.000 2.372 108 K HA 0.003 4.362 4.320 0.064 0.000 0.200 108 K C 0.346 176.915 176.600 -0.051 0.000 1.022 108 K CA 0.061 56.319 56.287 -0.048 0.000 1.125 108 K CB 0.346 32.825 32.500 -0.034 0.000 0.855 108 K HN 0.425 nan 8.250 nan 0.000 0.524 109 D N 1.469 121.795 120.400 -0.123 0.000 2.092 109 D HA -0.157 4.521 4.640 0.064 0.000 0.193 109 D C 0.784 177.115 176.300 0.051 0.000 0.994 109 D CA 1.371 55.316 54.000 -0.091 0.000 0.828 109 D CB 0.131 40.778 40.800 -0.254 0.000 0.963 109 D HN 0.070 nan 8.370 nan 0.000 0.450 110 R N 0.194 120.723 120.500 0.050 0.000 2.445 110 R HA 0.577 4.955 4.340 0.064 0.000 0.308 110 R C -1.077 175.276 176.300 0.088 0.000 0.961 110 R CA -0.376 55.777 56.100 0.089 0.000 0.862 110 R CB 0.798 31.153 30.300 0.092 0.000 1.144 110 R HN -0.052 nan 8.270 nan 0.000 0.447 111 I N 3.621 124.250 120.570 0.098 0.000 2.497 111 I HA 0.344 4.552 4.170 0.064 0.000 0.284 111 I C -0.725 175.458 176.117 0.110 0.000 1.060 111 I CA -0.727 60.636 61.300 0.105 0.000 1.071 111 I CB 2.048 40.094 38.000 0.076 0.000 1.216 111 I HN 0.650 nan 8.210 nan 0.000 0.442 112 A N 5.554 128.480 122.820 0.177 0.000 2.271 112 A HA 0.606 4.964 4.320 0.064 0.000 0.317 112 A C -0.426 177.297 177.584 0.232 0.000 1.245 112 A CA -0.407 51.724 52.037 0.156 0.000 0.857 112 A CB 0.986 20.147 19.000 0.268 0.000 1.175 112 A HN 0.747 nan 8.150 nan 0.000 0.512 113 E N 3.122 123.309 120.200 -0.021 0.000 2.186 113 E HA 0.480 4.869 4.350 0.064 0.000 0.255 113 E C -1.798 174.744 176.600 -0.097 0.000 0.881 113 E CA -0.304 56.126 56.400 0.051 0.000 0.752 113 E CB 0.720 30.433 29.700 0.021 0.000 1.176 113 E HN 0.626 nan 8.360 nan 0.000 0.421 114 Y N 1.362 121.776 120.300 0.190 0.000 2.420 114 Y HA 0.399 4.987 4.550 0.064 0.000 0.334 114 Y C 0.404 176.367 175.900 0.105 0.000 1.094 114 Y CA -0.750 57.437 58.100 0.144 0.000 1.126 114 Y CB 2.214 40.785 38.460 0.185 0.000 1.217 114 Y HN 0.321 nan 8.280 nan 0.000 0.462 115 S N 2.950 118.777 115.700 0.211 0.000 2.532 115 S HA 0.675 5.183 4.470 0.064 0.000 0.299 115 S C -1.814 172.856 174.600 0.117 0.000 1.105 115 S CA -0.546 57.732 58.200 0.130 0.000 1.018 115 S CB 0.665 63.911 63.200 0.077 0.000 1.021 115 S HN 0.555 nan 8.310 nan 0.000 0.483 116 L N 4.240 125.518 121.223 0.092 0.000 2.346 116 L HA 0.677 5.056 4.340 0.064 0.000 0.274 116 L C -0.525 176.377 176.870 0.053 0.000 1.007 116 L CA -0.448 54.434 54.840 0.071 0.000 0.818 116 L CB 1.503 43.600 42.059 0.064 0.000 1.284 116 L HN 0.541 nan 8.230 nan 0.000 0.424 117 K N 4.791 125.219 120.400 0.047 0.000 2.312 117 K HA 0.341 4.699 4.320 0.064 0.000 0.287 117 K C -0.560 176.066 176.600 0.044 0.000 1.062 117 K CA -0.194 56.118 56.287 0.041 0.000 0.934 117 K CB 0.209 32.731 32.500 0.037 0.000 1.027 117 K HN 0.704 nan 8.250 nan 0.000 0.478 118 L N 3.854 125.104 121.223 0.044 0.000 2.476 118 L HA 0.272 4.650 4.340 0.064 0.000 0.255 118 L C 0.849 177.752 176.870 0.054 0.000 1.218 118 L CA -0.043 54.828 54.840 0.053 0.000 0.819 118 L CB 0.311 42.402 42.059 0.053 0.000 1.119 118 L HN 0.482 nan 8.230 nan 0.000 0.485 119 M N 0.149 119.788 119.600 0.066 0.000 2.691 119 M HA 0.280 4.798 4.480 0.064 0.000 0.293 119 M C -1.321 175.018 176.300 0.066 0.000 1.259 119 M CA -0.710 54.627 55.300 0.062 0.000 0.827 119 M CB 2.140 34.779 32.600 0.065 0.000 1.753 119 M HN 0.321 nan 8.290 nan 0.000 0.465 120 D N 2.099 122.534 120.400 0.057 0.000 2.443 120 D HA 0.546 5.225 4.640 0.064 0.000 0.221 120 D C -1.394 174.942 176.300 0.060 0.000 1.097 120 D CA -0.007 54.027 54.000 0.056 0.000 0.865 120 D CB 0.320 41.147 40.800 0.045 0.000 1.034 120 D HN 0.396 nan 8.370 nan 0.000 0.511 121 I N 1.789 122.401 120.570 0.070 0.000 2.603 121 I HA 0.254 4.463 4.170 0.064 0.000 0.300 121 I C -0.304 175.853 176.117 0.066 0.000 1.017 121 I CA -1.127 60.215 61.300 0.070 0.000 1.098 121 I CB 1.969 40.020 38.000 0.086 0.000 1.279 121 I HN 0.093 nan 8.210 nan 0.000 0.437 122 D N 5.374 125.808 120.400 0.058 0.000 2.422 122 D HA 0.403 5.081 4.640 0.064 0.000 0.227 122 D C -0.220 176.114 176.300 0.057 0.000 1.190 122 D CA 0.115 54.146 54.000 0.052 0.000 0.905 122 D CB 1.211 42.037 40.800 0.042 0.000 1.034 122 D HN 0.540 nan 8.370 nan 0.000 0.507 123 A N 2.550 125.409 122.820 0.066 0.000 2.311 123 A HA 0.422 4.781 4.320 0.064 0.000 0.306 123 A C -0.739 176.894 177.584 0.081 0.000 1.189 123 A CA -0.856 51.227 52.037 0.077 0.000 0.791 123 A CB 0.865 19.921 19.000 0.094 0.000 1.172 123 A HN 0.144 nan 8.150 nan 0.000 0.481 124 D N 2.346 122.788 120.400 0.070 0.000 2.462 124 D HA 0.222 4.901 4.640 0.064 0.000 0.249 124 D C -0.850 175.497 176.300 0.079 0.000 1.117 124 D CA 0.080 54.122 54.000 0.070 0.000 0.900 124 D CB 0.606 41.425 40.800 0.031 0.000 1.039 124 D HN 0.433 nan 8.370 nan 0.000 0.516 125 F N 3.087 123.029 119.950 -0.013 0.000 2.506 125 F HA 0.095 4.660 4.527 0.064 0.000 0.369 125 F C -0.382 175.400 175.800 -0.030 0.000 1.114 125 F CA -0.510 57.475 58.000 -0.025 0.000 1.121 125 F CB 0.321 39.307 39.000 -0.024 0.000 1.104 125 F HN 0.102 nan 8.300 nan 0.000 0.564 126 L N 6.874 127.775 121.223 -0.536 0.000 2.363 126 L HA 0.132 4.510 4.340 0.064 0.000 0.286 126 L C -0.017 176.424 176.870 -0.715 0.000 1.106 126 L CA -0.102 54.465 54.840 -0.456 0.000 0.859 126 L CB 0.121 41.974 42.059 -0.344 0.000 1.223 126 L HN 0.427 nan 8.230 nan 0.000 0.446 127 K N 4.301 124.489 120.400 -0.352 0.000 2.150 127 K HA 0.491 4.849 4.320 0.064 0.000 0.261 127 K C -1.182 175.369 176.600 -0.083 0.000 1.127 127 K CA 0.126 56.353 56.287 -0.099 0.000 0.989 127 K CB -0.447 32.249 32.500 0.326 0.000 1.475 127 K HN 0.365 nan 8.250 nan 0.000 0.391 128 I N 2.492 122.956 120.570 -0.177 0.000 2.586 128 I HA 0.299 4.508 4.170 0.064 0.000 0.288 128 I C -0.458 175.571 176.117 -0.148 0.000 1.147 128 I CA -0.361 60.851 61.300 -0.148 0.000 1.047 128 I CB 2.137 40.020 38.000 -0.195 0.000 1.244 128 I HN 0.472 nan 8.210 nan 0.000 0.429 129 E N 4.062 124.250 120.200 -0.019 0.000 2.404 129 E HA 0.679 5.067 4.350 0.064 0.000 0.264 129 E C -0.992 175.621 176.600 0.022 0.000 0.946 129 E CA -1.035 55.412 56.400 0.079 0.000 0.806 129 E CB 2.241 32.031 29.700 0.150 0.000 1.334 129 E HN 0.484 nan 8.360 nan 0.000 0.429 130 E N 0.301 120.518 120.200 0.029 0.000 2.316 130 E HA 0.269 4.658 4.350 0.064 0.000 0.258 130 E C 0.421 176.943 176.600 -0.131 0.000 0.952 130 E CA -0.414 55.905 56.400 -0.135 0.000 0.818 130 E CB 1.427 30.912 29.700 -0.358 0.000 1.260 130 E HN 0.448 nan 8.360 nan 0.000 0.416 131 L N -1.629 119.495 121.223 -0.165 0.000 2.470 131 L HA 0.333 4.711 4.340 0.064 0.000 0.219 131 L C 0.529 177.321 176.870 -0.130 0.000 1.071 131 L CA 0.242 55.020 54.840 -0.103 0.000 0.850 131 L CB 0.441 42.457 42.059 -0.073 0.000 1.040 131 L HN 0.275 nan 8.230 nan 0.000 0.475 132 Q N 0.421 120.073 119.800 -0.247 0.000 2.309 132 Q HA 0.433 4.811 4.340 0.064 0.000 0.270 132 Q C -2.006 173.778 176.000 -0.359 0.000 1.023 132 Q CA -0.381 55.300 55.803 -0.203 0.000 0.758 132 Q CB 1.285 29.943 28.738 -0.133 0.000 1.247 132 Q HN 0.309 nan 8.270 nan 0.000 0.455 133 Y N 2.455 122.733 120.300 -0.037 0.000 2.364 133 Y HA 0.258 4.846 4.550 0.064 0.000 0.340 133 Y C 0.629 176.504 175.900 -0.041 0.000 0.975 133 Y CA -0.840 57.236 58.100 -0.041 0.000 1.089 133 Y CB 1.910 40.331 38.460 -0.065 0.000 1.192 133 Y HN 0.691 nan 8.280 nan 0.000 0.454 134 D N 0.617 121.088 120.400 0.118 0.000 2.190 134 D HA -0.136 4.542 4.640 0.064 0.000 0.200 134 D C 0.390 176.713 176.300 0.037 0.000 0.992 134 D CA 1.455 55.487 54.000 0.053 0.000 0.854 134 D CB 0.253 41.079 40.800 0.042 0.000 0.936 134 D HN 0.273 nan 8.370 nan 0.000 0.462 135 S N -2.005 113.721 115.700 0.043 0.000 2.547 135 S HA 0.521 5.029 4.470 0.064 0.000 0.270 135 S C -1.390 173.173 174.600 -0.061 0.000 1.150 135 S CA -0.670 57.522 58.200 -0.014 0.000 0.850 135 S CB 1.836 65.015 63.200 -0.035 0.000 1.118 135 S HN -0.085 nan 8.310 nan 0.000 0.461 136 T N 3.826 118.325 114.554 -0.091 0.000 2.971 136 T HA 0.674 5.062 4.350 0.064 0.000 0.304 136 T C -1.132 173.475 174.700 -0.155 0.000 1.038 136 T CA -0.603 61.404 62.100 -0.154 0.000 1.007 136 T CB 0.969 69.763 68.868 -0.123 0.000 1.055 136 T HN 0.816 nan 8.240 nan 0.000 0.451 137 L N 0.078 121.178 121.223 -0.205 0.000 2.465 137 L HA 1.008 5.386 4.340 0.064 0.000 0.257 137 L C -0.699 176.041 176.870 -0.218 0.000 0.988 137 L CA -1.015 53.717 54.840 -0.179 0.000 0.827 137 L CB 2.449 44.419 42.059 -0.149 0.000 1.397 137 L HN 0.650 nan 8.230 nan 0.000 0.410 138 S N 2.417 118.009 115.700 -0.180 0.000 2.594 138 S HA 0.853 5.362 4.470 0.064 0.000 0.296 138 S C -0.743 173.770 174.600 -0.144 0.000 1.124 138 S CA -0.694 57.391 58.200 -0.192 0.000 1.011 138 S CB 1.546 64.642 63.200 -0.174 0.000 1.016 138 S HN 1.048 nan 8.310 nan 0.000 0.485 139 L N -1.092 120.050 121.223 -0.134 0.000 2.327 139 L HA 0.852 5.230 4.340 0.064 0.000 0.258 139 L C -3.231 173.625 176.870 -0.024 0.000 1.024 139 L CA -3.036 51.771 54.840 -0.055 0.000 0.825 139 L CB 1.321 43.394 42.059 0.023 0.000 1.386 139 L HN 0.250 nan 8.230 nan 0.000 0.417 140 P HA 0.025 nan 4.420 nan 0.000 0.261 140 P C 0.696 178.065 177.300 0.115 0.000 1.183 140 P CA 0.171 63.309 63.100 0.064 0.000 0.761 140 P CB 0.941 32.689 31.700 0.080 0.000 0.785 141 S N 1.860 117.647 115.700 0.145 0.000 2.465 141 S HA -0.197 4.311 4.470 0.064 0.000 0.241 141 S C 1.730 176.464 174.600 0.224 0.000 1.000 141 S CA 1.566 59.926 58.200 0.266 0.000 0.964 141 S CB -1.153 62.275 63.200 0.379 0.000 0.763 141 S HN 0.524 nan 8.310 nan 0.000 0.512 142 S N 2.253 118.037 115.700 0.140 0.000 2.335 142 S HA -0.170 4.338 4.470 0.064 0.000 0.216 142 S C 1.898 176.542 174.600 0.073 0.000 1.032 142 S CA 1.052 59.303 58.200 0.086 0.000 1.000 142 S CB -1.015 62.223 63.200 0.063 0.000 0.928 142 S HN 0.657 nan 8.310 nan 0.000 0.434 143 E N 0.181 120.438 120.200 0.094 0.000 2.130 143 E HA -0.190 4.199 4.350 0.064 0.000 0.196 143 E C 1.801 178.445 176.600 0.073 0.000 0.998 143 E CA 1.289 57.739 56.400 0.083 0.000 0.806 143 E CB -0.260 29.512 29.700 0.120 0.000 0.738 143 E HN 0.575 nan 8.360 nan 0.000 0.459 144 F N 0.708 120.630 119.950 -0.048 0.000 2.098 144 F HA -0.123 4.443 4.527 0.064 0.000 0.294 144 F C 2.590 178.311 175.800 -0.132 0.000 1.107 144 F CA 1.683 59.611 58.000 -0.120 0.000 1.234 144 F CB -0.963 38.005 39.000 -0.053 0.000 1.002 144 F HN -0.035 nan 8.300 nan 0.000 0.472 145 S N -0.072 115.539 115.700 -0.149 0.000 2.392 145 S HA -0.314 4.194 4.470 0.064 0.000 0.232 145 S C 2.255 176.691 174.600 -0.273 0.000 1.041 145 S CA 1.980 60.028 58.200 -0.254 0.000 1.026 145 S CB -0.538 62.616 63.200 -0.077 0.000 0.845 145 S HN 0.522 nan 8.310 nan 0.000 0.465 146 K N 0.385 120.675 120.400 -0.184 0.000 1.991 146 K HA 0.048 4.407 4.320 0.064 0.000 0.207 146 K C 2.097 178.577 176.600 -0.200 0.000 1.045 146 K CA 1.597 57.791 56.287 -0.156 0.000 0.937 146 K CB -0.397 32.048 32.500 -0.091 0.000 0.720 146 K HN 0.410 nan 8.250 nan 0.000 0.438 147 I N 1.002 121.434 120.570 -0.230 0.000 2.181 147 I HA -0.366 3.843 4.170 0.064 0.000 0.247 147 I C 2.203 178.124 176.117 -0.326 0.000 1.081 147 I CA 1.390 62.528 61.300 -0.271 0.000 1.340 147 I CB -0.331 37.412 38.000 -0.428 0.000 1.036 147 I HN 0.087 nan 8.210 nan 0.000 0.417 148 V N 0.425 120.050 119.914 -0.482 0.000 2.270 148 V HA -0.239 3.919 4.120 0.064 0.000 0.245 148 V C 2.500 178.436 176.094 -0.263 0.000 1.043 148 V CA 1.730 63.770 62.300 -0.432 0.000 1.014 148 V CB -0.720 30.718 31.823 -0.641 0.000 0.645 148 V HN 0.349 nan 8.190 nan 0.000 0.447 149 R N 0.073 120.423 120.500 -0.249 0.000 2.170 149 R HA -0.183 4.195 4.340 0.064 0.000 0.242 149 R C 1.950 178.172 176.300 -0.129 0.000 1.145 149 R CA 1.764 57.760 56.100 -0.174 0.000 0.984 149 R CB -0.368 29.837 30.300 -0.159 0.000 0.869 149 R HN 0.617 nan 8.270 nan 0.000 0.455 150 D N 0.463 120.791 120.400 -0.119 0.000 2.106 150 D HA -0.083 4.596 4.640 0.064 0.000 0.203 150 D C 1.854 178.145 176.300 -0.015 0.000 0.977 150 D CA 0.977 54.935 54.000 -0.069 0.000 0.844 150 D CB -0.296 40.483 40.800 -0.036 0.000 1.002 150 D HN 0.168 nan 8.370 nan 0.000 0.461 151 L N 0.887 122.112 121.223 0.003 0.000 2.549 151 L HA 0.003 4.382 4.340 0.064 0.000 0.229 151 L C 1.837 178.712 176.870 0.008 0.000 1.158 151 L CA 0.382 55.250 54.840 0.047 0.000 0.842 151 L CB -0.282 41.806 42.059 0.049 0.000 0.952 151 L HN -0.122 nan 8.230 nan 0.000 0.452 152 S N -0.524 115.153 115.700 -0.038 0.000 2.527 152 S HA -0.054 4.455 4.470 0.064 0.000 0.222 152 S C 1.770 176.347 174.600 -0.038 0.000 0.985 152 S CA 0.554 58.724 58.200 -0.049 0.000 0.921 152 S CB 0.059 63.206 63.200 -0.087 0.000 0.772 152 S HN 0.521 nan 8.310 nan 0.000 0.529 153 Q N 0.154 119.936 119.800 -0.030 0.000 2.398 153 Q HA 0.238 4.616 4.340 0.064 0.000 0.204 153 Q C 1.537 177.534 176.000 -0.005 0.000 0.932 153 Q CA 0.512 56.298 55.803 -0.029 0.000 0.916 153 Q CB 0.032 28.742 28.738 -0.046 0.000 1.024 153 Q HN 0.470 nan 8.270 nan 0.000 0.504 154 L N -1.052 120.183 121.223 0.019 0.000 2.316 154 L HA 0.167 4.545 4.340 0.064 0.000 0.207 154 L C 1.054 177.944 176.870 0.033 0.000 1.070 154 L CA 0.138 55.003 54.840 0.042 0.000 0.820 154 L CB 0.569 42.681 42.059 0.089 0.000 0.992 154 L HN -0.081 nan 8.230 nan 0.000 0.466 155 S N -1.615 114.102 115.700 0.027 0.000 2.651 155 S HA 0.288 4.797 4.470 0.064 0.000 0.279 155 S C -0.748 173.857 174.600 0.008 0.000 1.148 155 S CA -0.611 57.603 58.200 0.023 0.000 0.837 155 S CB 1.591 64.814 63.200 0.038 0.000 1.138 155 S HN 0.048 nan 8.310 nan 0.000 0.478 156 D N 1.149 121.553 120.400 0.006 0.000 2.349 156 D HA 0.320 4.998 4.640 0.064 0.000 0.214 156 D C -0.582 175.724 176.300 0.009 0.000 1.063 156 D CA 0.478 54.473 54.000 -0.009 0.000 0.847 156 D CB 0.518 41.308 40.800 -0.016 0.000 0.933 156 D HN 0.247 nan 8.370 nan 0.000 0.513 157 S N 0.264 115.985 115.700 0.035 0.000 2.736 157 S HA 0.433 4.941 4.470 0.064 0.000 0.285 157 S C -0.129 174.525 174.600 0.091 0.000 1.163 157 S CA -0.657 57.584 58.200 0.068 0.000 1.025 157 S CB 1.661 64.896 63.200 0.059 0.000 1.030 157 S HN 0.002 nan 8.310 nan 0.000 0.486 158 I N 2.848 123.501 120.570 0.138 0.000 2.577 158 I HA 0.434 4.642 4.170 0.064 0.000 0.300 158 I C 0.123 176.380 176.117 0.234 0.000 0.990 158 I CA -0.687 60.720 61.300 0.178 0.000 1.283 158 I CB 1.415 39.529 38.000 0.189 0.000 1.411 158 I HN 0.553 nan 8.210 nan 0.000 0.515 159 N N 4.610 123.448 118.700 0.230 0.000 2.346 159 N HA 0.495 5.273 4.740 0.064 0.000 0.289 159 N C -1.380 174.271 175.510 0.235 0.000 1.027 159 N CA -0.482 52.686 53.050 0.197 0.000 0.864 159 N CB 1.304 39.847 38.487 0.094 0.000 1.370 159 N HN 0.429 nan 8.380 nan 0.000 0.481 160 I N 3.071 123.799 120.570 0.264 0.000 2.336 160 I HA 0.357 4.566 4.170 0.064 0.000 0.292 160 I C -0.300 175.824 176.117 0.012 0.000 0.991 160 I CA -0.505 60.874 61.300 0.131 0.000 1.227 160 I CB 1.471 39.632 38.000 0.268 0.000 1.366 160 I HN 0.472 nan 8.210 nan 0.000 0.466 161 M N 7.598 127.136 119.600 -0.102 0.000 2.142 161 M HA 0.517 5.036 4.480 0.064 0.000 0.299 161 M C -1.628 174.601 176.300 -0.118 0.000 0.960 161 M CA -0.534 54.719 55.300 -0.078 0.000 0.920 161 M CB 1.277 33.844 32.600 -0.056 0.000 1.541 161 M HN 0.384 nan 8.290 nan 0.000 0.429 162 I N 4.711 125.230 120.570 -0.084 0.000 2.378 162 I HA 0.497 4.705 4.170 0.064 0.000 0.291 162 I C 0.154 176.237 176.117 -0.057 0.000 0.992 162 I CA -0.217 61.031 61.300 -0.087 0.000 1.154 162 I CB 1.430 39.382 38.000 -0.080 0.000 1.315 162 I HN 0.739 nan 8.210 nan 0.000 0.448 163 T N 2.365 116.886 114.554 -0.054 0.000 2.887 163 T HA 0.493 4.881 4.350 0.064 0.000 0.292 163 T C -0.291 174.389 174.700 -0.033 0.000 1.087 163 T CA -1.176 60.902 62.100 -0.037 0.000 1.009 163 T CB 1.838 70.688 68.868 -0.031 0.000 1.203 163 T HN 0.549 nan 8.240 nan 0.000 0.518 164 K N 1.037 121.423 120.400 -0.025 0.000 2.430 164 K HA 0.108 4.466 4.320 0.064 0.000 0.280 164 K C -0.341 176.249 176.600 -0.016 0.000 1.063 164 K CA 0.116 56.391 56.287 -0.020 0.000 1.071 164 K CB -0.337 32.154 32.500 -0.015 0.000 0.899 164 K HN 0.832 nan 8.250 nan 0.000 0.473 165 E N 0.234 120.426 120.200 -0.014 0.000 2.513 165 E HA -0.174 4.214 4.350 0.064 0.000 0.257 165 E C -1.102 175.495 176.600 -0.004 0.000 1.098 165 E CA 0.755 57.153 56.400 -0.003 0.000 0.752 165 E CB -1.352 28.351 29.700 0.005 0.000 1.324 165 E HN 0.835 nan 8.360 nan 0.000 0.403 166 T N 0.336 114.877 114.554 -0.021 0.000 3.435 166 T HA 0.494 4.883 4.350 0.064 0.000 0.344 166 T C -0.599 174.060 174.700 -0.068 0.000 1.211 166 T CA -0.581 61.501 62.100 -0.030 0.000 1.104 166 T CB 1.077 69.927 68.868 -0.030 0.000 1.196 166 T HN 0.148 nan 8.240 nan 0.000 0.471 167 I N 3.020 123.539 120.570 -0.085 0.000 2.439 167 I HA 0.477 4.686 4.170 0.064 0.000 0.283 167 I C -0.210 175.747 176.117 -0.266 0.000 1.023 167 I CA -0.699 60.483 61.300 -0.196 0.000 1.100 167 I CB 1.788 39.682 38.000 -0.177 0.000 1.238 167 I HN 0.267 nan 8.210 nan 0.000 0.445 168 K N 7.226 127.424 120.400 -0.336 0.000 2.483 168 K HA 0.518 4.877 4.320 0.064 0.000 0.256 168 K C -1.439 174.981 176.600 -0.299 0.000 0.961 168 K CA -0.471 55.679 56.287 -0.228 0.000 0.873 168 K CB 0.934 33.370 32.500 -0.106 0.000 1.107 168 K HN 0.308 nan 8.250 nan 0.000 0.432 169 F N 3.298 123.278 119.950 0.051 0.000 2.404 169 F HA 0.366 4.932 4.527 0.064 0.000 0.345 169 F C 0.062 175.880 175.800 0.030 0.000 1.110 169 F CA -0.707 57.334 58.000 0.067 0.000 1.130 169 F CB 1.489 40.538 39.000 0.082 0.000 1.129 169 F HN 0.022 nan 8.300 nan 0.000 0.500 170 V N 2.366 122.404 119.914 0.206 0.000 2.789 170 V HA 0.876 5.035 4.120 0.064 0.000 0.311 170 V C -0.659 175.502 176.094 0.111 0.000 1.073 170 V CA -0.929 61.438 62.300 0.111 0.000 0.921 170 V CB 1.812 33.674 31.823 0.064 0.000 1.009 170 V HN 0.897 nan 8.190 nan 0.000 0.426 171 A N 2.587 125.456 122.820 0.081 0.000 2.455 171 A HA 0.801 5.160 4.320 0.064 0.000 0.300 171 A C -1.393 176.231 177.584 0.066 0.000 1.040 171 A CA -0.540 51.544 52.037 0.079 0.000 0.697 171 A CB 1.519 20.570 19.000 0.085 0.000 1.265 171 A HN 0.756 nan 8.150 nan 0.000 0.407 172 D N 1.145 121.579 120.400 0.057 0.000 2.696 172 D HA 0.589 5.268 4.640 0.064 0.000 0.251 172 D C -0.034 176.292 176.300 0.043 0.000 1.188 172 D CA 0.169 54.199 54.000 0.049 0.000 0.876 172 D CB 2.251 43.075 40.800 0.039 0.000 1.334 172 D HN 0.817 nan 8.370 nan 0.000 0.540 173 G N 1.195 110.022 108.800 0.045 0.000 3.086 173 G HA2 0.231 4.230 3.960 0.064 0.000 0.282 173 G HA3 0.231 4.230 3.960 0.064 0.000 0.282 173 G C 0.246 175.166 174.900 0.033 0.000 1.343 173 G CA -0.286 44.836 45.100 0.036 0.000 0.895 173 G HN 0.183 nan 8.290 nan 0.000 0.557 174 D N -0.313 120.103 120.400 0.027 0.000 2.149 174 D HA -0.083 4.595 4.640 0.064 0.000 0.201 174 D C 2.544 178.862 176.300 0.029 0.000 0.972 174 D CA 1.219 55.234 54.000 0.025 0.000 0.835 174 D CB -0.013 40.799 40.800 0.020 0.000 0.966 174 D HN 0.448 nan 8.370 nan 0.000 0.476 175 I N -2.555 118.034 120.570 0.031 0.000 2.617 175 I HA 0.240 4.448 4.170 0.064 0.000 0.256 175 I C 1.118 177.263 176.117 0.046 0.000 1.167 175 I CA 0.738 62.058 61.300 0.034 0.000 1.469 175 I CB 0.013 38.030 38.000 0.028 0.000 1.098 175 I HN -0.006 nan 8.210 nan 0.000 0.436 176 G N 0.679 109.512 108.800 0.055 0.000 2.344 176 G HA2 0.381 4.380 3.960 0.064 0.000 0.282 176 G HA3 0.381 4.380 3.960 0.064 0.000 0.282 176 G C -1.350 173.601 174.900 0.086 0.000 1.281 176 G CA -0.007 45.136 45.100 0.072 0.000 0.877 176 G HN 0.519 nan 8.290 nan 0.000 0.494 177 S N -1.662 114.104 115.700 0.109 0.000 2.627 177 S HA 0.945 5.453 4.470 0.064 0.000 0.283 177 S C -0.242 174.450 174.600 0.153 0.000 1.127 177 S CA 0.022 58.286 58.200 0.107 0.000 0.863 177 S CB 2.025 65.264 63.200 0.065 0.000 1.121 177 S HN 2.359 nan 8.310 nan 0.000 0.479 178 G N 0.239 109.095 108.800 0.093 0.000 2.746 178 G HA2 0.615 4.613 3.960 0.064 0.000 0.297 178 G HA3 0.615 4.613 3.960 0.064 0.000 0.297 178 G C -1.143 173.669 174.900 -0.148 0.000 1.426 178 G CA -0.470 44.581 45.100 -0.081 0.000 0.989 178 G HN 1.490 nan 8.290 nan 0.000 0.520 179 S N -0.241 115.297 115.700 -0.271 0.000 2.614 179 S HA 0.708 5.216 4.470 0.064 0.000 0.288 179 S C -0.950 173.571 174.600 -0.131 0.000 1.137 179 S CA -0.749 57.380 58.200 -0.117 0.000 0.992 179 S CB 1.952 65.118 63.200 -0.056 0.000 1.026 179 S HN 0.836 nan 8.310 nan 0.000 0.486 180 V N 4.536 124.457 119.914 0.011 0.000 2.357 180 V HA 0.474 4.633 4.120 0.064 0.000 0.284 180 V C -0.535 175.633 176.094 0.124 0.000 1.018 180 V CA -0.764 61.579 62.300 0.072 0.000 0.841 180 V CB 1.101 33.015 31.823 0.152 0.000 0.991 180 V HN 0.860 nan 8.190 nan 0.000 0.437 181 I N 6.750 127.362 120.570 0.070 0.000 2.339 181 I HA 0.549 4.758 4.170 0.064 0.000 0.290 181 I C -0.050 176.114 176.117 0.078 0.000 0.994 181 I CA -0.294 61.036 61.300 0.049 0.000 1.191 181 I CB 1.249 39.259 38.000 0.018 0.000 1.343 181 I HN 0.615 nan 8.210 nan 0.000 0.458 182 I N 2.999 123.621 120.570 0.087 0.000 2.740 182 I HA 0.664 4.872 4.170 0.064 0.000 0.303 182 I C -0.757 175.410 176.117 0.083 0.000 1.044 182 I CA -0.870 60.498 61.300 0.113 0.000 1.064 182 I CB 2.560 40.670 38.000 0.183 0.000 1.249 182 I HN 0.438 nan 8.210 nan 0.000 0.433 183 K N 3.741 124.208 120.400 0.111 0.000 2.318 183 K HA 0.549 4.908 4.320 0.064 0.000 0.249 183 K C -2.742 173.954 176.600 0.161 0.000 0.942 183 K CA -1.759 54.587 56.287 0.098 0.000 0.808 183 K CB 1.946 34.491 32.500 0.075 0.000 1.189 183 K HN 0.379 nan 8.250 nan 0.000 0.428 184 P HA 0.010 nan 4.420 nan 0.000 0.267 184 P C -1.192 176.209 177.300 0.169 0.000 1.209 184 P CA 0.145 63.293 63.100 0.079 0.000 0.763 184 P CB 0.034 31.746 31.700 0.021 0.000 0.816 185 F N 1.829 121.785 119.950 0.010 0.000 2.631 185 F HA 0.690 5.256 4.527 0.064 0.000 0.308 185 F C -1.840 173.969 175.800 0.016 0.000 1.097 185 F CA -1.400 56.608 58.000 0.014 0.000 0.952 185 F CB 1.174 40.188 39.000 0.023 0.000 1.307 185 F HN -0.035 nan 8.300 nan 0.000 0.450 186 V N 2.567 122.494 119.914 0.022 0.000 2.378 186 V HA 0.302 4.461 4.120 0.064 0.000 0.288 186 V C -1.143 175.017 176.094 0.111 0.000 1.016 186 V CA -0.456 61.790 62.300 -0.089 0.000 0.840 186 V CB 1.201 33.002 31.823 -0.037 0.000 0.994 186 V HN 0.781 nan 8.190 nan 0.000 0.431 187 D N 5.063 125.512 120.400 0.081 0.000 2.359 187 D HA 0.302 4.980 4.640 0.064 0.000 0.230 187 D C 0.911 177.254 176.300 0.072 0.000 1.118 187 D CA -0.443 53.692 54.000 0.224 0.000 0.844 187 D CB 1.517 42.564 40.800 0.412 0.000 1.059 187 D HN 0.273 nan 8.370 nan 0.000 0.493 188 M N 2.708 122.330 119.600 0.035 0.000 2.175 188 M HA -0.108 4.410 4.480 0.064 0.000 0.264 188 M C 1.370 177.616 176.300 -0.090 0.000 1.063 188 M CA 1.397 56.684 55.300 -0.021 0.000 1.119 188 M CB -0.614 31.977 32.600 -0.015 0.000 1.377 188 M HN 0.363 nan 8.290 nan 0.000 0.415 189 E N -0.451 119.629 120.200 -0.200 0.000 2.076 189 E HA -0.046 4.343 4.350 0.064 0.000 0.190 189 E C 0.387 176.662 176.600 -0.543 0.000 0.979 189 E CA 0.958 57.080 56.400 -0.463 0.000 0.807 189 E CB -0.068 29.170 29.700 -0.770 0.000 0.761 189 E HN 0.551 nan 8.360 nan 0.000 0.454 190 H N -0.946 118.161 119.070 0.061 0.000 2.423 190 H HA 0.232 4.826 4.556 0.064 0.000 0.237 190 H C -2.188 173.169 175.328 0.048 0.000 1.391 190 H CA -1.930 54.152 56.048 0.057 0.000 1.453 190 H CB 0.902 30.708 29.762 0.074 0.000 1.484 190 H HN 0.039 nan 8.280 nan 0.000 0.505 191 P HA -0.144 nan 4.420 nan 0.000 0.221 191 P C 1.360 178.668 177.300 0.013 0.000 1.145 191 P CA 1.012 64.124 63.100 0.019 0.000 0.795 191 P CB 0.463 32.161 31.700 -0.003 0.000 0.775 192 E N -1.557 118.676 120.200 0.055 0.000 2.516 192 E HA -0.047 4.342 4.350 0.064 0.000 0.199 192 E C 1.309 177.937 176.600 0.047 0.000 1.069 192 E CA 0.877 57.303 56.400 0.043 0.000 0.876 192 E CB -0.620 29.116 29.700 0.059 0.000 0.843 192 E HN 0.193 nan 8.360 nan 0.000 0.530 193 T N -0.431 114.160 114.554 0.062 0.000 3.043 193 T HA 0.030 4.418 4.350 0.064 0.000 0.272 193 T C 0.589 175.269 174.700 -0.035 0.000 0.990 193 T CA 0.097 62.256 62.100 0.098 0.000 0.897 193 T CB 0.224 69.216 68.868 0.208 0.000 1.111 193 T HN 0.188 nan 8.240 nan 0.000 0.529 194 S N 1.037 116.577 115.700 -0.267 0.000 2.593 194 S HA 0.559 5.068 4.470 0.064 0.000 0.269 194 S C -0.137 174.129 174.600 -0.557 0.000 1.334 194 S CA -0.594 57.133 58.200 -0.788 0.000 1.015 194 S CB 0.471 63.358 63.200 -0.521 0.000 0.912 194 S HN 0.370 nan 8.310 nan 0.000 0.541 195 I N 1.685 121.857 120.570 -0.665 0.000 2.411 195 I HA 0.326 4.535 4.170 0.064 0.000 0.284 195 I C -0.363 175.633 176.117 -0.201 0.000 1.012 195 I CA -0.844 60.288 61.300 -0.279 0.000 1.119 195 I CB 1.470 39.409 38.000 -0.102 0.000 1.261 195 I HN 0.463 nan 8.210 nan 0.000 0.448 196 K N 6.110 126.416 120.400 -0.155 0.000 2.143 196 K HA 0.658 5.016 4.320 0.064 0.000 0.272 196 K C -0.926 175.615 176.600 -0.099 0.000 1.001 196 K CA -0.823 55.392 56.287 -0.121 0.000 0.915 196 K CB 2.362 34.792 32.500 -0.118 0.000 1.047 196 K HN 0.367 nan 8.250 nan 0.000 0.458 197 L N 2.427 123.604 121.223 -0.078 0.000 2.528 197 L HA 0.248 4.626 4.340 0.064 0.000 0.267 197 L C -1.334 175.501 176.870 -0.058 0.000 0.961 197 L CA -0.249 54.549 54.840 -0.071 0.000 0.866 197 L CB 1.588 43.614 42.059 -0.056 0.000 1.248 197 L HN 0.614 nan 8.230 nan 0.000 0.404 198 E N 5.685 125.848 120.200 -0.062 0.000 2.185 198 E HA 0.320 4.709 4.350 0.064 0.000 0.261 198 E C -1.197 175.379 176.600 -0.041 0.000 0.879 198 E CA -0.721 55.651 56.400 -0.046 0.000 0.756 198 E CB 2.116 31.789 29.700 -0.044 0.000 1.152 198 E HN 0.756 nan 8.360 nan 0.000 0.416 199 M N 4.091 123.672 119.600 -0.032 0.000 2.044 199 M HA 0.206 4.725 4.480 0.064 0.000 0.333 199 M C -0.752 175.538 176.300 -0.017 0.000 1.004 199 M CA -0.434 54.850 55.300 -0.026 0.000 0.954 199 M CB 0.880 33.463 32.600 -0.029 0.000 1.468 199 M HN 0.243 nan 8.290 nan 0.000 0.414 200 D N 2.703 123.097 120.400 -0.011 0.000 2.234 200 D HA -0.015 4.664 4.640 0.064 0.000 0.205 200 D C 0.181 176.476 176.300 -0.008 0.000 0.962 200 D CA 1.004 54.999 54.000 -0.008 0.000 0.855 200 D CB 0.393 41.191 40.800 -0.004 0.000 0.951 200 D HN 0.669 nan 8.370 nan 0.000 0.500 201 Q N -0.453 119.342 119.800 -0.007 0.000 2.468 201 Q HA 0.250 4.628 4.340 0.064 0.000 0.263 201 Q C -2.990 173.005 176.000 -0.008 0.000 0.979 201 Q CA -1.569 54.230 55.803 -0.007 0.000 0.932 201 Q CB 2.284 31.019 28.738 -0.005 0.000 1.462 201 Q HN -0.229 nan 8.270 nan 0.000 0.403 202 P HA 0.041 nan 4.420 nan 0.000 0.268 202 P C -1.108 176.186 177.300 -0.009 0.000 1.208 202 P CA -0.030 63.061 63.100 -0.016 0.000 0.777 202 P CB 0.561 32.251 31.700 -0.017 0.000 0.875 203 V N -1.439 118.468 119.914 -0.011 0.000 2.925 203 V HA 0.615 4.774 4.120 0.064 0.000 0.311 203 V C -0.856 175.236 176.094 -0.004 0.000 1.104 203 V CA -0.627 61.674 62.300 0.002 0.000 0.954 203 V CB 2.658 34.495 31.823 0.022 0.000 1.022 203 V HN 0.268 nan 8.190 nan 0.000 0.427 204 D N 3.603 123.999 120.400 -0.006 0.000 2.945 204 D HA 0.365 5.044 4.640 0.064 0.000 0.366 204 D C -0.001 176.278 176.300 -0.036 0.000 1.352 204 D CA -0.014 53.977 54.000 -0.014 0.000 0.810 204 D CB 0.852 41.641 40.800 -0.018 0.000 1.170 204 D HN 0.572 nan 8.370 nan 0.000 0.461 205 L N 0.356 121.555 121.223 -0.040 0.000 2.397 205 L HA 0.327 4.706 4.340 0.064 0.000 0.271 205 L C 0.771 177.451 176.870 -0.316 0.000 1.148 205 L CA 0.238 54.951 54.840 -0.212 0.000 0.825 205 L CB 0.723 42.636 42.059 -0.243 0.000 1.117 205 L HN -0.172 nan 8.230 nan 0.000 0.456 206 T N 2.353 116.631 114.554 -0.460 0.000 2.823 206 T HA 0.637 5.025 4.350 0.064 0.000 0.279 206 T C -0.754 173.630 174.700 -0.527 0.000 0.998 206 T CA -0.220 61.697 62.100 -0.305 0.000 0.994 206 T CB 0.707 69.507 68.868 -0.114 0.000 0.960 206 T HN 0.146 nan 8.240 nan 0.000 0.448 207 F N 0.816 120.861 119.950 0.158 0.000 2.540 207 F HA 0.554 5.119 4.527 0.064 0.000 0.317 207 F C 0.988 176.884 175.800 0.161 0.000 1.104 207 F CA -1.165 56.947 58.000 0.186 0.000 0.913 207 F CB 1.398 40.538 39.000 0.234 0.000 1.170 207 F HN 0.655 nan 8.300 nan 0.000 0.450 208 G N 0.914 109.943 108.800 0.383 0.000 2.272 208 G HA2 0.320 4.318 3.960 0.064 0.000 0.247 208 G HA3 0.320 4.318 3.960 0.064 0.000 0.247 208 G C 0.807 175.777 174.900 0.118 0.000 1.272 208 G CA 0.149 45.384 45.100 0.224 0.000 0.921 208 G HN 1.000 nan 8.290 nan 0.000 0.495 209 A N 3.042 125.873 122.820 0.018 0.000 1.978 209 A HA -0.069 4.290 4.320 0.064 0.000 0.220 209 A C 2.424 179.934 177.584 -0.124 0.000 1.170 209 A CA 1.796 53.811 52.037 -0.036 0.000 0.636 209 A CB -0.271 18.704 19.000 -0.042 0.000 0.810 209 A HN 0.571 nan 8.150 nan 0.000 0.448 210 K N -0.711 119.549 120.400 -0.234 0.000 2.063 210 K HA -0.185 4.174 4.320 0.064 0.000 0.208 210 K C 1.717 178.135 176.600 -0.303 0.000 1.048 210 K CA 1.898 57.984 56.287 -0.335 0.000 0.928 210 K CB -0.480 31.708 32.500 -0.520 0.000 0.713 210 K HN 0.598 nan 8.250 nan 0.000 0.442 211 Y N 0.810 121.084 120.300 -0.043 0.000 2.220 211 Y HA -0.029 4.559 4.550 0.064 0.000 0.291 211 Y C 2.304 178.085 175.900 -0.198 0.000 1.129 211 Y CA 0.633 58.687 58.100 -0.077 0.000 1.161 211 Y CB -0.594 37.855 38.460 -0.019 0.000 0.997 211 Y HN -0.081 nan 8.280 nan 0.000 0.522 212 L N -0.626 120.553 121.223 -0.073 0.000 2.079 212 L HA -0.234 4.144 4.340 0.064 0.000 0.210 212 L C 2.178 178.888 176.870 -0.265 0.000 1.081 212 L CA 1.175 55.870 54.840 -0.241 0.000 0.752 212 L CB -0.737 41.213 42.059 -0.182 0.000 0.896 212 L HN 0.251 nan 8.230 nan 0.000 0.433 213 L N -0.556 120.546 121.223 -0.202 0.000 2.131 213 L HA -0.220 4.158 4.340 0.064 0.000 0.210 213 L C 2.174 178.932 176.870 -0.187 0.000 1.092 213 L CA 0.987 55.710 54.840 -0.195 0.000 0.759 213 L CB -0.492 41.473 42.059 -0.157 0.000 0.903 213 L HN 0.302 nan 8.230 nan 0.000 0.435 214 D N 0.003 120.301 120.400 -0.170 0.000 2.123 214 D HA -0.095 4.584 4.640 0.064 0.000 0.200 214 D C 2.328 178.418 176.300 -0.350 0.000 0.976 214 D CA 1.157 55.061 54.000 -0.159 0.000 0.831 214 D CB 0.048 40.824 40.800 -0.039 0.000 0.974 214 D HN 0.305 nan 8.370 nan 0.000 0.469 215 I N 1.891 122.146 120.570 -0.525 0.000 2.226 215 I HA -0.221 3.988 4.170 0.064 0.000 0.245 215 I C 2.454 178.276 176.117 -0.492 0.000 1.100 215 I CA 0.833 61.564 61.300 -0.948 0.000 1.374 215 I CB -0.409 37.112 38.000 -0.799 0.000 1.057 215 I HN 0.031 nan 8.210 nan 0.000 0.413 216 I N -1.324 119.100 120.570 -0.244 0.000 3.083 216 I HA -0.165 4.043 4.170 0.064 0.000 0.273 216 I C 1.837 177.865 176.117 -0.149 0.000 1.297 216 I CA 1.224 62.481 61.300 -0.073 0.000 1.452 216 I CB -0.552 37.320 38.000 -0.215 0.000 1.078 216 I HN 0.135 nan 8.210 nan 0.000 0.484 217 K N 1.734 121.993 120.400 -0.235 0.000 2.432 217 K HA 0.089 4.447 4.320 0.064 0.000 0.196 217 K C 1.948 178.391 176.600 -0.262 0.000 1.038 217 K CA 0.821 56.993 56.287 -0.191 0.000 0.986 217 K CB -0.032 32.392 32.500 -0.127 0.000 0.782 217 K HN 0.573 nan 8.250 nan 0.000 0.485 218 G N 0.561 109.035 108.800 -0.543 0.000 2.848 218 G HA2 -0.119 3.880 3.960 0.064 0.000 0.208 218 G HA3 -0.119 3.880 3.960 0.064 0.000 0.208 218 G C 1.144 175.402 174.900 -1.071 0.000 1.152 218 G CA 0.031 44.556 45.100 -0.960 0.000 0.789 218 G HN 0.108 nan 8.290 nan 0.000 0.531 219 S N 0.981 116.373 115.700 -0.514 0.000 2.507 219 S HA -0.123 4.385 4.470 0.064 0.000 0.235 219 S C 2.602 177.172 174.600 -0.049 0.000 0.988 219 S CA 1.159 59.311 58.200 -0.079 0.000 0.944 219 S CB -0.093 63.137 63.200 0.051 0.000 0.762 219 S HN 0.646 nan 8.310 nan 0.000 0.526 220 S N 0.977 116.612 115.700 -0.109 0.000 2.481 220 S HA 0.062 4.570 4.470 0.064 0.000 0.231 220 S C 1.441 176.029 174.600 -0.019 0.000 0.996 220 S CA 0.514 58.682 58.200 -0.054 0.000 0.942 220 S CB -0.276 62.884 63.200 -0.066 0.000 0.768 220 S HN 0.304 nan 8.310 nan 0.000 0.520 221 L N 0.645 121.859 121.223 -0.014 0.000 2.200 221 L HA 0.388 4.767 4.340 0.064 0.000 0.200 221 L C 1.291 178.222 176.870 0.103 0.000 1.072 221 L CA 0.728 55.598 54.840 0.051 0.000 0.787 221 L CB -0.452 41.654 42.059 0.079 0.000 0.957 221 L HN 0.320 nan 8.230 nan 0.000 0.459 222 S N -1.442 114.360 115.700 0.170 0.000 2.542 222 S HA 0.288 4.797 4.470 0.064 0.000 0.293 222 S C -0.090 174.618 174.600 0.180 0.000 1.089 222 S CA -0.628 57.687 58.200 0.192 0.000 0.961 222 S CB 1.246 64.601 63.200 0.258 0.000 1.062 222 S HN 0.168 nan 8.310 nan 0.000 0.483 223 D N 1.784 122.257 120.400 0.121 0.000 2.312 223 D HA 0.131 4.809 4.640 0.064 0.000 0.211 223 D C 0.579 176.942 176.300 0.105 0.000 0.964 223 D CA 1.020 55.080 54.000 0.100 0.000 0.877 223 D CB 0.189 41.031 40.800 0.069 0.000 0.924 223 D HN 0.349 nan 8.370 nan 0.000 0.515 224 R N -0.514 120.048 120.500 0.102 0.000 2.919 224 R HA 0.689 5.068 4.340 0.064 0.000 0.260 224 R C -1.369 174.930 176.300 -0.002 0.000 1.067 224 R CA -0.994 55.130 56.100 0.040 0.000 1.003 224 R CB 2.922 33.215 30.300 -0.013 0.000 1.192 224 R HN -0.150 nan 8.270 nan 0.000 0.488 225 V N 0.657 120.473 119.914 -0.163 0.000 2.612 225 V HA 0.593 4.752 4.120 0.064 0.000 0.301 225 V C -0.589 175.224 176.094 -0.469 0.000 1.059 225 V CA -0.349 61.667 62.300 -0.474 0.000 0.886 225 V CB 1.721 33.192 31.823 -0.586 0.000 1.007 225 V HN 0.870 nan 8.190 nan 0.000 0.426 226 G N 6.712 115.221 108.800 -0.485 0.000 2.390 226 G HA2 0.635 4.633 3.960 0.064 0.000 0.270 226 G HA3 0.635 4.633 3.960 0.064 0.000 0.270 226 G C -0.735 173.837 174.900 -0.546 0.000 1.211 226 G CA -0.440 44.402 45.100 -0.430 0.000 0.842 226 G HN 0.778 nan 8.290 nan 0.000 0.519 227 I N 1.737 121.985 120.570 -0.537 0.000 2.466 227 I HA 0.406 4.614 4.170 0.064 0.000 0.289 227 I C -0.284 175.467 176.117 -0.611 0.000 1.026 227 I CA -0.740 60.147 61.300 -0.689 0.000 1.078 227 I CB 2.341 39.948 38.000 -0.655 0.000 1.249 227 I HN 0.340 nan 8.210 nan 0.000 0.429 228 R N 6.803 126.839 120.500 -0.773 0.000 2.409 228 R HA 0.705 5.083 4.340 0.064 0.000 0.313 228 R C -1.334 174.553 176.300 -0.688 0.000 0.953 228 R CA -0.689 54.927 56.100 -0.806 0.000 0.849 228 R CB 2.117 31.613 30.300 -1.340 0.000 1.171 228 R HN 0.491 nan 8.270 nan 0.000 0.458 229 L N 1.023 122.071 121.223 -0.293 0.000 2.334 229 L HA 0.664 5.042 4.340 0.064 0.000 0.273 229 L C -0.028 176.942 176.870 0.168 0.000 1.013 229 L CA -0.770 54.048 54.840 -0.036 0.000 0.816 229 L CB 2.139 44.197 42.059 -0.002 0.000 1.278 229 L HN 0.526 nan 8.230 nan 0.000 0.431 230 S N -0.835 114.995 115.700 0.217 0.000 2.533 230 S HA 0.240 4.748 4.470 0.064 0.000 0.271 230 S C 0.377 175.047 174.600 0.116 0.000 1.143 230 S CA -0.233 58.075 58.200 0.180 0.000 0.891 230 S CB 1.721 65.051 63.200 0.216 0.000 1.105 230 S HN 0.697 nan 8.310 nan 0.000 0.468 231 S N 2.531 118.269 115.700 0.063 0.000 2.561 231 S HA 0.158 4.666 4.470 0.064 0.000 0.225 231 S C 0.638 175.255 174.600 0.028 0.000 0.977 231 S CA 0.301 58.522 58.200 0.035 0.000 0.926 231 S CB -0.120 63.089 63.200 0.015 0.000 0.769 231 S HN 0.681 nan 8.310 nan 0.000 0.533 232 E N 0.498 120.717 120.200 0.032 0.000 2.541 232 E HA 0.483 4.872 4.350 0.064 0.000 0.219 232 E C 0.321 176.937 176.600 0.028 0.000 0.922 232 E CA 0.348 56.757 56.400 0.015 0.000 1.095 232 E CB 1.215 30.910 29.700 -0.009 0.000 1.112 232 E HN 0.574 nan 8.360 nan 0.000 0.516 233 A N 1.873 124.733 122.820 0.066 0.000 2.469 233 A HA 0.671 5.029 4.320 0.064 0.000 0.299 233 A C -2.725 174.979 177.584 0.201 0.000 1.098 233 A CA -1.665 50.433 52.037 0.101 0.000 0.737 233 A CB 1.028 20.058 19.000 0.051 0.000 1.312 233 A HN -0.214 nan 8.150 nan 0.000 0.414 234 P HA 0.336 nan 4.420 nan 0.000 0.268 234 P C -0.141 177.378 177.300 0.366 0.000 1.204 234 P CA 0.258 63.543 63.100 0.309 0.000 0.768 234 P CB 0.670 32.557 31.700 0.312 0.000 0.842 235 A N 3.856 126.870 122.820 0.324 0.000 2.445 235 A HA 0.250 4.608 4.320 0.064 0.000 0.242 235 A C -0.199 177.282 177.584 -0.172 0.000 1.075 235 A CA -0.162 51.895 52.037 0.033 0.000 0.777 235 A CB -0.322 18.638 19.000 -0.066 0.000 1.013 235 A HN 0.654 nan 8.150 nan 0.000 0.493 236 L N 2.623 123.491 121.223 -0.593 0.000 2.294 236 L HA 0.547 4.925 4.340 0.064 0.000 0.283 236 L C -1.621 174.756 176.870 -0.822 0.000 1.015 236 L CA -0.525 53.885 54.840 -0.717 0.000 0.831 236 L CB 0.490 42.099 42.059 -0.750 0.000 1.217 236 L HN 0.674 nan 8.230 nan 0.000 0.420 237 F N 3.752 123.447 119.950 -0.425 0.000 2.332 237 F HA 0.414 4.980 4.527 0.064 0.000 0.368 237 F C 0.289 175.922 175.800 -0.280 0.000 1.110 237 F CA -0.389 57.407 58.000 -0.340 0.000 1.087 237 F CB 1.267 40.182 39.000 -0.141 0.000 1.235 237 F HN 0.435 nan 8.300 nan 0.000 0.470 238 Q N 3.799 123.388 119.800 -0.352 0.000 2.330 238 Q HA 0.521 4.899 4.340 0.064 0.000 0.269 238 Q C -1.793 173.988 176.000 -0.364 0.000 1.022 238 Q CA -0.646 54.997 55.803 -0.267 0.000 0.796 238 Q CB 1.242 29.776 28.738 -0.341 0.000 1.271 238 Q HN 0.557 nan 8.270 nan 0.000 0.450 239 F N 2.880 122.878 119.950 0.080 0.000 2.308 239 F HA 0.295 4.861 4.527 0.064 0.000 0.370 239 F C -0.184 175.680 175.800 0.107 0.000 1.100 239 F CA -0.911 57.147 58.000 0.096 0.000 1.108 239 F CB 1.052 40.145 39.000 0.155 0.000 1.293 239 F HN 0.439 nan 8.300 nan 0.000 0.478 240 D N 3.831 124.342 120.400 0.186 0.000 2.382 240 D HA 0.442 5.121 4.640 0.064 0.000 0.245 240 D C -0.329 176.071 176.300 0.166 0.000 1.120 240 D CA 0.112 54.220 54.000 0.180 0.000 0.890 240 D CB 1.230 42.087 40.800 0.096 0.000 1.201 240 D HN 0.359 nan 8.370 nan 0.000 0.433 241 L N -1.348 119.964 121.223 0.148 0.000 2.350 241 L HA 0.529 4.908 4.340 0.064 0.000 0.260 241 L C -0.053 176.851 176.870 0.056 0.000 1.015 241 L CA -1.257 53.638 54.840 0.091 0.000 0.821 241 L CB 1.115 43.220 42.059 0.076 0.000 1.370 241 L HN 0.094 nan 8.230 nan 0.000 0.416 242 K N 1.477 121.896 120.400 0.032 0.000 2.405 242 K HA 0.076 4.434 4.320 0.064 0.000 0.276 242 K C 0.409 176.998 176.600 -0.018 0.000 1.099 242 K CA 1.212 57.506 56.287 0.013 0.000 1.120 242 K CB -0.233 32.271 32.500 0.006 0.000 0.877 242 K HN 0.922 nan 8.250 nan 0.000 0.472 243 S N 2.078 117.775 115.700 -0.006 0.000 3.791 243 S HA -0.131 4.377 4.470 0.064 0.000 0.393 243 S C -0.226 174.323 174.600 -0.084 0.000 0.936 243 S CA 0.640 58.820 58.200 -0.033 0.000 1.234 243 S CB -1.506 61.661 63.200 -0.054 0.000 0.891 243 S HN 1.298 nan 8.310 nan 0.000 0.519 244 G N 0.539 109.301 108.800 -0.062 0.000 2.345 244 G HA2 0.555 4.553 3.960 0.064 0.000 0.285 244 G HA3 0.555 4.553 3.960 0.064 0.000 0.285 244 G C -1.187 173.664 174.900 -0.082 0.000 1.297 244 G CA 0.097 45.051 45.100 -0.244 0.000 0.875 244 G HN 1.780 nan 8.290 nan 0.000 0.506 245 F N -2.448 117.515 119.950 0.022 0.000 2.793 245 F HA 0.715 5.281 4.527 0.064 0.000 0.316 245 F C -1.934 173.869 175.800 0.006 0.000 1.147 245 F CA -1.345 56.672 58.000 0.030 0.000 0.930 245 F CB 1.071 40.082 39.000 0.018 0.000 1.277 245 F HN 0.863 nan 8.300 nan 0.000 0.443 246 L N 2.462 123.870 121.223 0.309 0.000 2.305 246 L HA 0.643 5.021 4.340 0.064 0.000 0.284 246 L C -1.045 175.872 176.870 0.079 0.000 1.013 246 L CA -0.229 54.667 54.840 0.094 0.000 0.819 246 L CB 1.799 43.865 42.059 0.010 0.000 1.227 246 L HN 0.749 nan 8.230 nan 0.000 0.417 247 Q N 4.516 124.253 119.800 -0.105 0.000 2.337 247 Q HA 0.520 4.898 4.340 0.064 0.000 0.266 247 Q C -1.650 174.094 176.000 -0.426 0.000 1.023 247 Q CA -0.405 55.279 55.803 -0.199 0.000 0.829 247 Q CB 2.364 31.017 28.738 -0.143 0.000 1.306 247 Q HN 0.539 nan 8.270 nan 0.000 0.449 248 F N 2.015 121.927 119.950 -0.064 0.000 2.427 248 F HA 0.435 5.001 4.527 0.064 0.000 0.348 248 F C -0.632 175.118 175.800 -0.083 0.000 1.125 248 F CA -0.630 57.384 58.000 0.022 0.000 0.989 248 F CB 0.786 39.837 39.000 0.086 0.000 1.165 248 F HN 0.405 nan 8.300 nan 0.000 0.442 249 F N 4.533 124.630 119.950 0.244 0.000 2.415 249 F HA 0.592 5.157 4.527 0.064 0.000 0.348 249 F C -0.462 175.453 175.800 0.192 0.000 1.119 249 F CA -0.845 57.274 58.000 0.197 0.000 1.069 249 F CB 1.473 40.529 39.000 0.094 0.000 1.124 249 F HN 0.216 nan 8.300 nan 0.000 0.472 250 L N 3.590 125.049 121.223 0.393 0.000 2.438 250 L HA 0.792 5.171 4.340 0.064 0.000 0.270 250 L C -0.753 176.359 176.870 0.402 0.000 0.972 250 L CA -0.739 54.286 54.840 0.308 0.000 0.831 250 L CB 1.500 43.714 42.059 0.258 0.000 1.273 250 L HN 0.622 nan 8.230 nan 0.000 0.405 251 A N 6.260 129.242 122.820 0.270 0.000 2.328 251 A HA 0.779 5.138 4.320 0.064 0.000 0.284 251 A C -2.416 175.310 177.584 0.236 0.000 1.160 251 A CA -1.160 51.022 52.037 0.242 0.000 0.818 251 A CB -0.412 18.661 19.000 0.122 0.000 1.087 251 A HN 0.624 nan 8.150 nan 0.000 0.504 252 P HA 0.186 nan 4.420 nan 0.000 0.271 252 P C -0.101 177.136 177.300 -0.105 0.000 1.233 252 P CA -0.163 62.789 63.100 -0.246 0.000 0.789 252 P CB 0.519 32.021 31.700 -0.330 0.000 0.951 270 E N 4.481 124.428 120.200 -0.422 0.000 2.265 270 E HA 0.857 5.245 4.350 0.064 0.000 0.262 270 E C -1.551 174.752 176.600 -0.496 0.000 0.889 270 E CA -0.666 55.515 56.400 -0.365 0.000 0.789 270 E CB 2.020 31.567 29.700 -0.254 0.000 1.221 270 E HN 0.916 nan 8.360 nan 0.000 0.414 271 A N 4.243 126.792 122.820 -0.453 0.000 2.291 271 A HA 0.526 4.885 4.320 0.064 0.000 0.311 271 A C -0.821 176.574 177.584 -0.315 0.000 1.224 271 A CA -0.868 50.869 52.037 -0.501 0.000 0.821 271 A CB 1.088 19.761 19.000 -0.545 0.000 1.172 271 A HN 0.577 nan 8.150 nan 0.000 0.494 272 K N 3.038 123.305 120.400 -0.221 0.000 2.274 272 K HA 0.606 4.964 4.320 0.064 0.000 0.262 272 K C -1.666 174.860 176.600 -0.123 0.000 0.961 272 K CA -0.401 55.807 56.287 -0.131 0.000 0.833 272 K CB 0.640 33.097 32.500 -0.072 0.000 1.102 272 K HN 0.502 nan 8.250 nan 0.000 0.436 273 F N 2.584 122.570 119.950 0.061 0.000 2.404 273 F HA 0.163 4.728 4.527 0.064 0.000 0.339 273 F C 1.694 177.503 175.800 0.015 0.000 1.105 273 F CA -0.426 57.588 58.000 0.024 0.000 1.087 273 F CB 1.556 40.535 39.000 -0.034 0.000 1.143 273 F HN 0.747 nan 8.300 nan 0.000 0.491 274 E N 1.079 121.389 120.200 0.184 0.000 2.051 274 E HA -0.142 4.246 4.350 0.064 0.000 0.192 274 E C -0.033 176.638 176.600 0.118 0.000 0.991 274 E CA 1.152 57.621 56.400 0.116 0.000 0.799 274 E CB 0.274 30.024 29.700 0.084 0.000 0.748 274 E HN 0.465 nan 8.360 nan 0.000 0.449 275 E N -1.128 119.151 120.200 0.133 0.000 2.187 275 E HA 0.258 4.646 4.350 0.064 0.000 0.268 275 E C -0.190 176.460 176.600 0.083 0.000 0.896 275 E CA -0.015 56.442 56.400 0.095 0.000 0.766 275 E CB 1.811 31.546 29.700 0.059 0.000 1.142 275 E HN 0.218 nan 8.360 nan 0.000 0.408 276 A N 2.427 125.296 122.820 0.082 0.000 2.066 276 A HA -0.152 4.206 4.320 0.064 0.000 0.218 276 A C 1.995 179.581 177.584 0.003 0.000 1.157 276 A CA 1.638 53.706 52.037 0.053 0.000 0.670 276 A CB -0.318 18.799 19.000 0.194 0.000 0.804 276 A HN 0.578 nan 8.150 nan 0.000 0.453 277 S N -0.037 115.670 115.700 0.012 0.000 2.400 277 S HA -0.191 4.318 4.470 0.064 0.000 0.232 277 S C 1.796 176.362 174.600 -0.056 0.000 1.025 277 S CA 1.411 59.604 58.200 -0.012 0.000 0.993 277 S CB -0.624 62.574 63.200 -0.003 0.000 0.808 277 S HN 0.458 nan 8.310 nan 0.000 0.478 278 L N 0.741 121.913 121.223 -0.086 0.000 1.970 278 L HA 0.067 4.445 4.340 0.064 0.000 0.212 278 L C 2.176 178.943 176.870 -0.172 0.000 1.071 278 L CA 1.857 56.627 54.840 -0.117 0.000 0.751 278 L CB -1.260 40.735 42.059 -0.107 0.000 0.889 278 L HN 0.302 nan 8.230 nan 0.000 0.432 279 F N 0.557 120.172 119.950 -0.559 0.000 2.126 279 F HA -0.235 4.331 4.527 0.065 0.000 0.299 279 F C 2.331 177.988 175.800 -0.239 0.000 1.096 279 F CA 1.909 59.584 58.000 -0.541 0.000 1.255 279 F CB -0.352 38.152 39.000 -0.826 0.000 0.997 279 F HN 0.123 nan 8.300 nan 0.000 0.479 280 K N -0.176 120.136 120.400 -0.147 0.000 2.009 280 K HA -0.206 4.152 4.320 0.064 0.000 0.210 280 K C 2.186 178.693 176.600 -0.154 0.000 1.049 280 K CA 1.869 58.068 56.287 -0.146 0.000 0.929 280 K CB -0.374 32.093 32.500 -0.055 0.000 0.714 280 K HN 0.213 nan 8.250 nan 0.000 0.440 281 R N 0.736 121.165 120.500 -0.118 0.000 2.105 281 R HA -0.104 4.275 4.340 0.064 0.000 0.239 281 R C 2.355 178.597 176.300 -0.098 0.000 1.135 281 R CA 1.361 57.401 56.100 -0.099 0.000 0.967 281 R CB -0.374 29.878 30.300 -0.080 0.000 0.861 281 R HN 0.237 nan 8.270 nan 0.000 0.442 282 I N 0.399 120.900 120.570 -0.115 0.000 2.163 282 I HA -0.265 3.944 4.170 0.064 0.000 0.240 282 I C 2.014 178.140 176.117 0.015 0.000 1.081 282 I CA 0.965 62.240 61.300 -0.042 0.000 1.353 282 I CB -0.274 37.703 38.000 -0.038 0.000 1.054 282 I HN 0.098 nan 8.210 nan 0.000 0.407 283 I N 0.863 121.327 120.570 -0.177 0.000 2.335 283 I HA -0.281 3.928 4.170 0.064 0.000 0.251 283 I C 2.037 178.164 176.117 0.017 0.000 1.129 283 I CA 1.641 62.877 61.300 -0.106 0.000 1.402 283 I CB -1.452 36.356 38.000 -0.320 0.000 1.069 283 I HN 0.261 nan 8.210 nan 0.000 0.424 284 D N 0.994 121.371 120.400 -0.039 0.000 2.144 284 D HA -0.113 4.565 4.640 0.064 0.000 0.199 284 D C 2.281 178.584 176.300 0.005 0.000 0.984 284 D CA 1.468 55.452 54.000 -0.027 0.000 0.834 284 D CB -0.434 40.328 40.800 -0.063 0.000 0.955 284 D HN 0.384 nan 8.370 nan 0.000 0.465 285 G N -1.267 107.543 108.800 0.016 0.000 2.511 285 G HA2 -0.150 3.849 3.960 0.064 0.000 0.217 285 G HA3 -0.150 3.849 3.960 0.064 0.000 0.217 285 G C 1.365 176.316 174.900 0.085 0.000 1.133 285 G CA -0.050 45.070 45.100 0.033 0.000 0.792 285 G HN 0.188 nan 8.290 nan 0.000 0.539 286 F N 1.438 121.408 119.950 0.033 0.000 2.123 286 F HA 0.210 4.775 4.527 0.064 0.000 0.289 286 F C 1.934 177.759 175.800 0.042 0.000 1.099 286 F CA 0.633 58.653 58.000 0.032 0.000 1.234 286 F CB 0.000 38.997 39.000 -0.005 0.000 1.034 286 F HN -0.030 nan 8.300 nan 0.000 0.479 287 K N 0.710 121.251 120.400 0.235 0.000 2.344 287 K HA -0.062 4.297 4.320 0.064 0.000 0.260 287 K C -0.168 176.487 176.600 0.091 0.000 0.988 287 K CA 0.598 56.964 56.287 0.132 0.000 0.909 287 K CB 0.369 32.910 32.500 0.068 0.000 0.968 287 K HN 0.264 nan 8.250 nan 0.000 0.505 288 D N -1.329 119.110 120.400 0.066 0.000 2.265 288 D HA -0.196 4.483 4.640 0.064 0.000 0.165 288 D C 0.932 177.266 176.300 0.057 0.000 1.190 288 D CA 1.794 55.818 54.000 0.040 0.000 1.121 288 D CB -1.753 39.054 40.800 0.011 0.000 1.158 288 D HN 0.791 nan 8.370 nan 0.000 0.481 289 C N -0.781 118.578 119.300 0.097 0.000 3.580 289 C HA 0.645 5.143 4.460 0.064 0.000 0.337 289 C C 0.502 175.578 174.990 0.144 0.000 1.412 289 C CA 0.454 59.548 59.018 0.127 0.000 1.797 289 C CB -0.014 27.822 27.740 0.161 0.000 2.470 289 C HN 0.325 nan 8.230 nan 0.000 0.691 290 V N -0.733 119.272 119.914 0.153 0.000 2.888 290 V HA 0.542 4.701 4.120 0.064 0.000 0.309 290 V C 0.190 176.363 176.094 0.131 0.000 1.114 290 V CA -0.373 62.022 62.300 0.158 0.000 0.940 290 V CB 1.539 33.496 31.823 0.224 0.000 1.021 290 V HN 0.337 nan 8.190 nan 0.000 0.426 291 Q N 3.057 122.916 119.800 0.099 0.000 1.937 291 Q HA 0.296 4.674 4.340 0.064 0.000 0.198 291 Q C -0.324 175.716 176.000 0.068 0.000 0.977 291 Q CA 1.296 57.143 55.803 0.074 0.000 0.836 291 Q CB -0.050 28.724 28.738 0.060 0.000 0.899 291 Q HN 0.797 nan 8.270 nan 0.000 0.437 292 L N -1.218 120.040 121.223 0.058 0.000 2.371 292 L HA 0.798 5.176 4.340 0.064 0.000 0.262 292 L C -0.856 176.023 176.870 0.015 0.000 1.006 292 L CA -1.008 53.858 54.840 0.045 0.000 0.818 292 L CB 2.020 44.107 42.059 0.047 0.000 1.354 292 L HN -0.119 nan 8.230 nan 0.000 0.415 293 V N 0.626 120.523 119.914 -0.028 0.000 2.932 293 V HA 0.553 4.711 4.120 0.064 0.000 0.307 293 V C -1.416 174.594 176.094 -0.141 0.000 1.147 293 V CA -0.450 61.767 62.300 -0.138 0.000 0.951 293 V CB 2.514 34.133 31.823 -0.340 0.000 1.031 293 V HN 0.835 nan 8.190 nan 0.000 0.426 294 N N 4.498 123.123 118.700 -0.125 0.000 2.430 294 N HA 0.355 5.133 4.740 0.064 0.000 0.265 294 N C -0.946 174.474 175.510 -0.149 0.000 1.100 294 N CA 0.242 53.264 53.050 -0.046 0.000 0.961 294 N CB 0.573 39.054 38.487 -0.010 0.000 1.075 294 N HN 0.559 nan 8.380 nan 0.000 0.478 295 F N 1.627 121.568 119.950 -0.014 0.000 2.405 295 F HA 0.151 4.718 4.527 0.067 0.000 0.358 295 F C 0.977 176.794 175.800 0.028 0.000 1.151 295 F CA -0.571 57.433 58.000 0.007 0.000 1.161 295 F CB 0.415 39.439 39.000 0.040 0.000 1.245 295 F HN 0.149 nan 8.300 nan 0.000 0.545 296 Q N 3.238 123.109 119.800 0.118 0.000 2.307 296 Q HA 0.300 4.678 4.340 0.064 0.000 0.259 296 Q C -0.803 175.269 176.000 0.120 0.000 0.998 296 Q CA -0.331 55.528 55.803 0.093 0.000 0.923 296 Q CB 0.826 29.591 28.738 0.044 0.000 1.196 296 Q HN 0.546 nan 8.270 nan 0.000 0.416 297 C N 3.812 123.177 119.300 0.109 0.000 2.329 297 C HA 0.544 5.042 4.460 0.064 0.000 0.329 297 C C 0.212 175.250 174.990 0.080 0.000 1.275 297 C CA -0.662 58.424 59.018 0.114 0.000 1.726 297 C CB 0.156 27.941 27.740 0.076 0.000 2.291 297 C HN 0.809 nan 8.230 nan 0.000 0.514 298 K N 1.638 122.105 120.400 0.111 0.000 2.399 298 K HA 0.339 4.698 4.320 0.064 0.000 0.260 298 K C 0.224 176.905 176.600 0.135 0.000 1.049 298 K CA -0.686 55.650 56.287 0.081 0.000 0.890 298 K CB 1.239 33.773 32.500 0.056 0.000 1.430 298 K HN 0.367 nan 8.250 nan 0.000 0.459 299 E N 1.065 121.319 120.200 0.089 0.000 2.204 299 E HA -0.200 4.188 4.350 0.064 0.000 0.195 299 E C 0.707 177.363 176.600 0.093 0.000 0.990 299 E CA 1.609 58.075 56.400 0.110 0.000 0.821 299 E CB -0.152 29.578 29.700 0.049 0.000 0.750 299 E HN 0.537 nan 8.360 nan 0.000 0.477 300 D N -1.057 119.360 120.400 0.027 0.000 2.328 300 D HA 0.211 4.889 4.640 0.064 0.000 0.221 300 D C 0.947 177.174 176.300 -0.121 0.000 1.072 300 D CA 0.562 54.542 54.000 -0.033 0.000 0.850 300 D CB 0.263 41.060 40.800 -0.005 0.000 0.922 300 D HN 0.134 nan 8.370 nan 0.000 0.516 301 G N -0.433 108.248 108.800 -0.198 0.000 2.270 301 G HA2 0.081 4.080 3.960 0.064 0.000 0.268 301 G HA3 0.081 4.080 3.960 0.064 0.000 0.268 301 G C -1.633 173.236 174.900 -0.051 0.000 1.312 301 G CA -0.648 44.252 45.100 -0.333 0.000 1.050 301 G HN 0.162 nan 8.290 nan 0.000 0.474 302 I N 1.340 121.945 120.570 0.058 0.000 2.509 302 I HA 0.662 4.870 4.170 0.064 0.000 0.293 302 I C 0.204 176.388 176.117 0.113 0.000 1.020 302 I CA -1.031 60.371 61.300 0.170 0.000 1.088 302 I CB 1.859 40.065 38.000 0.343 0.000 1.267 302 I HN 0.774 nan 8.210 nan 0.000 0.430 303 I N 2.774 123.396 120.570 0.087 0.000 2.828 303 I HA 0.986 5.194 4.170 0.064 0.000 0.302 303 I C -1.056 175.051 176.117 -0.017 0.000 1.101 303 I CA -0.600 60.713 61.300 0.022 0.000 1.031 303 I CB 2.358 40.358 38.000 0.000 0.000 1.231 303 I HN 0.592 nan 8.210 nan 0.000 0.427 304 A N 4.248 127.026 122.820 -0.069 0.000 2.488 304 A HA 0.704 5.062 4.320 0.064 0.000 0.295 304 A C -1.287 176.281 177.584 -0.026 0.000 1.045 304 A CA -0.492 51.418 52.037 -0.211 0.000 0.703 304 A CB 1.902 20.461 19.000 -0.736 0.000 1.271 304 A HN 0.792 nan 8.150 nan 0.000 0.400 305 Q N 0.279 120.058 119.800 -0.034 0.000 2.337 305 Q HA 0.751 5.129 4.340 0.064 0.000 0.270 305 Q C -0.598 175.430 176.000 0.047 0.000 1.043 305 Q CA -0.322 55.506 55.803 0.042 0.000 0.794 305 Q CB 2.532 31.273 28.738 0.006 0.000 1.281 305 Q HN 1.289 nan 8.270 nan 0.000 0.446 306 A N 1.398 124.287 122.820 0.114 0.000 2.486 306 A HA 0.796 5.155 4.320 0.064 0.000 0.300 306 A C -1.036 176.599 177.584 0.085 0.000 1.048 306 A CA -0.683 51.420 52.037 0.109 0.000 0.696 306 A CB 1.246 20.364 19.000 0.196 0.000 1.278 306 A HN 0.527 nan 8.150 nan 0.000 0.405 307 V N 0.237 120.195 119.914 0.073 0.000 2.732 307 V HA 0.704 4.863 4.120 0.064 0.000 0.310 307 V C 0.062 176.211 176.094 0.091 0.000 1.053 307 V CA -0.762 61.581 62.300 0.073 0.000 0.957 307 V CB 1.522 33.377 31.823 0.053 0.000 1.018 307 V HN 0.996 nan 8.190 nan 0.000 0.452 308 D N 1.359 121.821 120.400 0.104 0.000 2.384 308 D HA 0.014 4.692 4.640 0.064 0.000 0.244 308 D C 0.508 176.875 176.300 0.112 0.000 1.251 308 D CA -0.058 54.020 54.000 0.129 0.000 0.961 308 D CB 0.658 41.571 40.800 0.188 0.000 1.116 308 D HN 0.568 nan 8.370 nan 0.000 0.484 309 D N -0.149 120.322 120.400 0.119 0.000 2.106 309 D HA -0.190 4.489 4.640 0.064 0.000 0.191 309 D C 1.928 178.286 176.300 0.097 0.000 0.997 309 D CA 2.495 56.554 54.000 0.098 0.000 0.834 309 D CB -0.484 40.372 40.800 0.093 0.000 0.956 309 D HN 0.578 nan 8.370 nan 0.000 0.448 310 S N -0.106 115.669 115.700 0.125 0.000 2.561 310 S HA -0.025 4.483 4.470 0.064 0.000 0.225 310 S C 0.737 175.379 174.600 0.070 0.000 0.977 310 S CA -0.003 58.264 58.200 0.111 0.000 0.926 310 S CB -0.168 63.136 63.200 0.172 0.000 0.769 310 S HN 0.255 nan 8.310 nan 0.000 0.533 311 R N -0.763 119.773 120.500 0.061 0.000 3.651 311 R HA -0.122 4.257 4.340 0.064 0.000 0.292 311 R C 0.716 177.023 176.300 0.013 0.000 1.161 311 R CA 0.750 56.875 56.100 0.041 0.000 0.787 311 R CB -2.908 27.419 30.300 0.045 0.000 1.249 311 R HN 0.644 nan 8.270 nan 0.000 0.476 312 V N -3.507 116.381 119.914 -0.043 0.000 3.635 312 V HA 0.290 4.448 4.120 0.064 0.000 0.266 312 V C 0.630 176.659 176.094 -0.108 0.000 1.316 312 V CA 0.354 62.592 62.300 -0.104 0.000 1.060 312 V CB 0.546 32.229 31.823 -0.233 0.000 0.820 312 V HN 0.152 nan 8.190 nan 0.000 0.447 313 L N 2.173 123.345 121.223 -0.085 0.000 2.316 313 L HA 0.745 5.124 4.340 0.064 0.000 0.280 313 L C -0.825 176.113 176.870 0.114 0.000 1.006 313 L CA -0.818 54.041 54.840 0.031 0.000 0.836 313 L CB 1.398 43.487 42.059 0.051 0.000 1.221 313 L HN 0.293 nan 8.230 nan 0.000 0.418 314 L N 6.214 127.543 121.223 0.176 0.000 2.307 314 L HA 0.675 5.053 4.340 0.064 0.000 0.282 314 L C -0.967 175.980 176.870 0.128 0.000 1.051 314 L CA -0.127 54.805 54.840 0.153 0.000 0.804 314 L CB 1.692 43.834 42.059 0.138 0.000 1.197 314 L HN 0.410 nan 8.230 nan 0.000 0.431 315 V N 4.034 123.932 119.914 -0.028 0.000 2.384 315 V HA 0.537 4.695 4.120 0.064 0.000 0.287 315 V C -0.090 175.910 176.094 -0.156 0.000 1.020 315 V CA -0.431 61.668 62.300 -0.336 0.000 0.850 315 V CB 1.287 32.728 31.823 -0.636 0.000 0.987 315 V HN 0.818 nan 8.190 nan 0.000 0.436 316 S N 5.243 120.869 115.700 -0.124 0.000 2.733 316 S HA 0.657 5.166 4.470 0.064 0.000 0.307 316 S C -1.022 173.624 174.600 0.077 0.000 1.127 316 S CA -0.455 57.805 58.200 0.100 0.000 1.097 316 S CB 0.741 64.144 63.200 0.340 0.000 1.003 316 S HN 0.636 nan 8.310 nan 0.000 0.477 317 L N 4.150 125.406 121.223 0.056 0.000 2.317 317 L HA 0.774 5.152 4.340 0.064 0.000 0.281 317 L C -0.548 176.188 176.870 -0.223 0.000 1.024 317 L CA 0.129 54.951 54.840 -0.030 0.000 0.810 317 L CB 1.498 43.716 42.059 0.266 0.000 1.240 317 L HN 0.562 nan 8.230 nan 0.000 0.427 318 E N 5.909 125.764 120.200 -0.575 0.000 2.316 318 E HA 0.308 4.697 4.350 0.064 0.000 0.254 318 E C -1.609 174.786 176.600 -0.342 0.000 0.902 318 E CA -0.299 55.777 56.400 -0.540 0.000 0.801 318 E CB 1.079 30.210 29.700 -0.950 0.000 1.270 318 E HN 0.698 nan 8.360 nan 0.000 0.414 319 I N 3.281 123.796 120.570 -0.092 0.000 2.307 319 I HA 0.330 4.539 4.170 0.064 0.000 0.289 319 I C 1.071 177.194 176.117 0.011 0.000 1.021 319 I CA -0.717 60.573 61.300 -0.018 0.000 1.224 319 I CB 1.454 39.516 38.000 0.104 0.000 1.376 319 I HN 0.395 nan 8.210 nan 0.000 0.470 320 G N 4.244 113.028 108.800 -0.027 0.000 2.572 320 G HA2 0.315 4.313 3.960 0.064 0.000 0.261 320 G HA3 0.315 4.313 3.960 0.064 0.000 0.261 320 G C 0.985 175.906 174.900 0.034 0.000 1.197 320 G CA -0.549 44.542 45.100 -0.015 0.000 0.870 320 G HN 0.439 nan 8.290 nan 0.000 0.548 321 V N 0.725 120.612 119.914 -0.044 0.000 2.407 321 V HA -0.121 4.038 4.120 0.064 0.000 0.248 321 V C 2.571 178.746 176.094 0.135 0.000 1.055 321 V CA 1.804 64.081 62.300 -0.039 0.000 1.049 321 V CB -0.403 31.333 31.823 -0.144 0.000 0.662 321 V HN 0.645 nan 8.190 nan 0.000 0.455 322 E N 0.518 120.750 120.200 0.053 0.000 2.333 322 E HA -0.125 4.264 4.350 0.064 0.000 0.198 322 E C 2.188 178.802 176.600 0.023 0.000 1.007 322 E CA 1.204 57.630 56.400 0.043 0.000 0.845 322 E CB -0.316 29.398 29.700 0.024 0.000 0.766 322 E HN 0.630 nan 8.360 nan 0.000 0.507 323 A N 0.237 123.038 122.820 -0.033 0.000 2.119 323 A HA 0.043 4.402 4.320 0.064 0.000 0.216 323 A C 0.704 178.129 177.584 -0.265 0.000 1.152 323 A CA 0.162 52.100 52.037 -0.164 0.000 0.708 323 A CB -0.150 18.687 19.000 -0.271 0.000 0.805 323 A HN 0.026 nan 8.150 nan 0.000 0.460 324 F N -0.924 118.975 119.950 -0.086 0.000 2.377 324 F HA 0.334 4.899 4.527 0.063 0.000 0.328 324 F C 1.539 177.296 175.800 -0.071 0.000 1.094 324 F CA -0.373 57.536 58.000 -0.153 0.000 1.093 324 F CB 1.104 39.986 39.000 -0.196 0.000 1.214 324 F HN 0.159 nan 8.300 nan 0.000 0.518 325 Q N 0.738 120.605 119.800 0.112 0.000 2.172 325 Q HA -0.044 4.335 4.340 0.064 0.000 0.200 325 Q C -0.159 175.879 176.000 0.063 0.000 0.964 325 Q CA 1.207 57.053 55.803 0.072 0.000 0.855 325 Q CB 0.368 29.138 28.738 0.054 0.000 0.918 325 Q HN 0.741 nan 8.270 nan 0.000 0.444 326 E N -0.917 119.322 120.200 0.065 0.000 2.347 326 E HA 0.208 4.596 4.350 0.064 0.000 0.285 326 E C -2.216 174.364 176.600 -0.032 0.000 0.925 326 E CA -0.614 55.794 56.400 0.014 0.000 0.779 326 E CB 1.343 31.024 29.700 -0.031 0.000 1.233 326 E HN 0.183 nan 8.360 nan 0.000 0.414 327 Y N 4.213 124.380 120.300 -0.222 0.000 2.433 327 Y HA 0.526 5.114 4.550 0.064 0.000 0.337 327 Y C -1.492 174.235 175.900 -0.289 0.000 1.026 327 Y CA -0.549 57.303 58.100 -0.414 0.000 1.037 327 Y CB 1.254 39.325 38.460 -0.648 0.000 1.245 327 Y HN 0.635 nan 8.280 nan 0.000 0.443 328 R N 4.008 124.060 120.500 -0.747 0.000 2.626 328 R HA 0.862 5.240 4.340 0.064 0.000 0.274 328 R C -2.216 173.718 176.300 -0.611 0.000 1.031 328 R CA -0.761 55.051 56.100 -0.480 0.000 0.898 328 R CB 1.271 31.403 30.300 -0.280 0.000 1.222 328 R HN 0.631 nan 8.270 nan 0.000 0.455 329 C N 2.319 121.402 119.300 -0.363 0.000 2.446 329 C HA 0.321 4.819 4.460 0.064 0.000 0.329 329 C C 0.248 175.124 174.990 -0.190 0.000 1.166 329 C CA -0.520 58.312 59.018 -0.310 0.000 1.341 329 C CB 1.643 29.251 27.740 -0.220 0.000 1.970 329 C HN 0.964 nan 8.230 nan 0.000 0.452 330 D N 0.687 120.956 120.400 -0.219 0.000 2.183 330 D HA 0.058 4.737 4.640 0.064 0.000 0.205 330 D C 0.703 177.015 176.300 0.020 0.000 0.962 330 D CA 1.467 55.422 54.000 -0.075 0.000 0.849 330 D CB 0.160 40.965 40.800 0.009 0.000 0.978 330 D HN 0.851 nan 8.370 nan 0.000 0.488 331 H N -2.170 116.872 119.070 -0.047 0.000 3.046 331 H HA 0.416 5.010 4.556 0.064 0.000 0.363 331 H C -3.063 172.252 175.328 -0.022 0.000 1.203 331 H CA -2.123 53.909 56.048 -0.027 0.000 1.169 331 H CB 0.547 30.296 29.762 -0.023 0.000 1.851 331 H HN -0.322 nan 8.280 nan 0.000 0.546 332 P HA 0.065 nan 4.420 nan 0.000 0.262 332 P C -0.129 177.214 177.300 0.072 0.000 1.199 332 P CA -0.031 63.099 63.100 0.050 0.000 0.763 332 P CB 0.518 32.256 31.700 0.064 0.000 0.790 333 V N 0.959 120.887 119.914 0.022 0.000 2.735 333 V HA 0.704 4.863 4.120 0.064 0.000 0.310 333 V C -0.399 175.726 176.094 0.051 0.000 1.061 333 V CA -0.511 61.814 62.300 0.041 0.000 0.913 333 V CB 2.219 34.036 31.823 -0.010 0.000 1.005 333 V HN 0.328 nan 8.190 nan 0.000 0.428 334 T N 6.632 121.223 114.554 0.062 0.000 2.772 334 T HA 0.609 4.997 4.350 0.064 0.000 0.288 334 T C -0.640 174.110 174.700 0.084 0.000 0.994 334 T CA -0.333 61.812 62.100 0.075 0.000 0.951 334 T CB 0.897 69.801 68.868 0.061 0.000 0.933 334 T HN 0.558 nan 8.240 nan 0.000 0.447 335 L N 3.676 124.972 121.223 0.121 0.000 2.262 335 L HA 0.481 4.860 4.340 0.064 0.000 0.288 335 L C 1.012 177.983 176.870 0.169 0.000 1.035 335 L CA -0.516 54.399 54.840 0.124 0.000 0.820 335 L CB 0.217 42.340 42.059 0.107 0.000 1.204 335 L HN 0.752 nan 8.230 nan 0.000 0.424 336 G N 4.920 113.789 108.800 0.115 0.000 2.349 336 G HA2 0.569 4.567 3.960 0.064 0.000 0.281 336 G HA3 0.569 4.567 3.960 0.064 0.000 0.281 336 G C -0.153 174.818 174.900 0.118 0.000 1.182 336 G CA -0.385 44.781 45.100 0.109 0.000 0.899 336 G HN 0.522 nan 8.290 nan 0.000 0.455 337 M N 1.940 121.632 119.600 0.152 0.000 2.518 337 M HA 0.257 4.775 4.480 0.064 0.000 0.300 337 M C -1.279 175.083 176.300 0.103 0.000 1.175 337 M CA -0.966 54.413 55.300 0.133 0.000 0.890 337 M CB 2.868 35.569 32.600 0.169 0.000 1.710 337 M HN 0.388 nan 8.290 nan 0.000 0.453 338 D N 2.675 123.118 120.400 0.072 0.000 2.380 338 D HA 0.245 4.923 4.640 0.064 0.000 0.230 338 D C 0.719 177.050 176.300 0.051 0.000 1.154 338 D CA -0.111 53.923 54.000 0.056 0.000 0.859 338 D CB 0.865 41.690 40.800 0.042 0.000 1.045 338 D HN 0.634 nan 8.370 nan 0.000 0.495 339 L N 2.703 123.960 121.223 0.056 0.000 2.261 339 L HA -0.171 4.207 4.340 0.064 0.000 0.216 339 L C 2.072 178.954 176.870 0.020 0.000 1.114 339 L CA 0.905 55.770 54.840 0.043 0.000 0.777 339 L CB -0.378 41.716 42.059 0.060 0.000 0.910 339 L HN 0.397 nan 8.230 nan 0.000 0.440 340 T N -1.195 113.372 114.554 0.022 0.000 2.732 340 T HA -0.124 4.265 4.350 0.064 0.000 0.261 340 T C 2.144 176.843 174.700 -0.002 0.000 1.040 340 T CA 1.600 63.705 62.100 0.008 0.000 1.145 340 T CB -0.081 68.794 68.868 0.011 0.000 0.866 340 T HN 0.273 nan 8.240 nan 0.000 0.427 341 S N 1.522 117.226 115.700 0.007 0.000 2.382 341 S HA -0.030 4.479 4.470 0.064 0.000 0.228 341 S C 1.946 176.545 174.600 -0.002 0.000 1.027 341 S CA 0.596 58.799 58.200 0.004 0.000 0.991 341 S CB -0.487 62.724 63.200 0.018 0.000 0.823 341 S HN 0.230 nan 8.310 nan 0.000 0.469 342 L N 2.560 123.785 121.223 0.005 0.000 2.017 342 L HA -0.108 4.271 4.340 0.064 0.000 0.208 342 L C 2.393 179.251 176.870 -0.021 0.000 1.073 342 L CA 2.209 57.051 54.840 0.002 0.000 0.745 342 L CB -1.024 41.034 42.059 -0.001 0.000 0.894 342 L HN 0.402 nan 8.230 nan 0.000 0.432 343 S N -1.469 114.209 115.700 -0.036 0.000 2.447 343 S HA -0.189 4.320 4.470 0.064 0.000 0.233 343 S C 1.930 176.488 174.600 -0.070 0.000 1.006 343 S CA 0.982 59.149 58.200 -0.054 0.000 0.957 343 S CB -0.565 62.605 63.200 -0.050 0.000 0.773 343 S HN 0.520 nan 8.310 nan 0.000 0.507 344 K N 1.075 121.435 120.400 -0.067 0.000 2.026 344 K HA 0.085 4.443 4.320 0.064 0.000 0.208 344 K C 2.046 178.549 176.600 -0.162 0.000 1.048 344 K CA 1.666 57.898 56.287 -0.093 0.000 0.929 344 K CB -0.417 32.045 32.500 -0.065 0.000 0.713 344 K HN 0.415 nan 8.250 nan 0.000 0.439 345 I N 1.132 121.601 120.570 -0.169 0.000 2.252 345 I HA -0.232 3.976 4.170 0.064 0.000 0.245 345 I C 1.849 177.773 176.117 -0.320 0.000 1.102 345 I CA 0.724 61.817 61.300 -0.345 0.000 1.385 345 I CB -0.172 37.715 38.000 -0.187 0.000 1.064 345 I HN 0.137 nan 8.210 nan 0.000 0.414 346 L N 0.774 121.953 121.223 -0.075 0.000 2.642 346 L HA -0.114 4.264 4.340 0.064 0.000 0.236 346 L C 2.378 179.181 176.870 -0.112 0.000 1.169 346 L CA 1.200 56.067 54.840 0.045 0.000 0.851 346 L CB -1.162 40.936 42.059 0.065 0.000 0.968 346 L HN 0.305 nan 8.230 nan 0.000 0.453 347 R N -0.504 119.873 120.500 -0.205 0.000 2.189 347 R HA -0.038 4.341 4.340 0.064 0.000 0.223 347 R C 0.352 176.503 176.300 -0.249 0.000 1.092 347 R CA 0.394 56.380 56.100 -0.189 0.000 0.989 347 R CB -0.080 30.117 30.300 -0.171 0.000 0.876 347 R HN 0.357 nan 8.270 nan 0.000 0.457 348 C N -2.681 116.359 119.300 -0.433 0.000 2.783 348 C HA 0.627 5.126 4.460 0.064 0.000 0.312 348 C C 1.357 175.802 174.990 -0.908 0.000 1.182 348 C CA -1.081 57.663 59.018 -0.457 0.000 1.432 348 C CB 1.575 29.139 27.740 -0.292 0.000 1.933 348 C HN 0.387 nan 8.230 nan 0.000 0.473 349 G N 1.194 109.634 108.800 -0.599 0.000 2.692 349 G HA2 0.167 4.166 3.960 0.064 0.000 0.209 349 G HA3 0.167 4.166 3.960 0.064 0.000 0.209 349 G C 0.078 174.901 174.900 -0.128 0.000 1.166 349 G CA 0.289 45.252 45.100 -0.228 0.000 0.844 349 G HN 0.694 nan 8.290 nan 0.000 0.596 350 N N 0.886 119.556 118.700 -0.050 0.000 2.370 350 N HA 0.245 5.023 4.740 0.064 0.000 0.303 350 N C 0.082 175.624 175.510 0.053 0.000 1.103 350 N CA -0.672 52.381 53.050 0.005 0.000 0.848 350 N CB 1.630 40.135 38.487 0.029 0.000 1.235 350 N HN -0.069 nan 8.380 nan 0.000 0.496 351 N N -0.032 118.688 118.700 0.034 0.000 2.309 351 N HA -0.112 4.666 4.740 0.064 0.000 0.182 351 N C 1.465 177.017 175.510 0.070 0.000 1.018 351 N CA 1.167 54.247 53.050 0.051 0.000 0.876 351 N CB -0.255 38.242 38.487 0.016 0.000 0.972 351 N HN 0.695 nan 8.380 nan 0.000 0.434 352 T N -2.443 112.148 114.554 0.062 0.000 3.100 352 T HA 0.054 4.443 4.350 0.064 0.000 0.253 352 T C 0.353 175.105 174.700 0.087 0.000 1.118 352 T CA -0.235 61.902 62.100 0.062 0.000 1.058 352 T CB -0.026 68.866 68.868 0.041 0.000 0.953 352 T HN -0.140 nan 8.240 nan 0.000 0.515 353 D N 2.523 122.998 120.400 0.124 0.000 2.378 353 D HA 0.161 4.840 4.640 0.064 0.000 0.238 353 D C 0.017 176.408 176.300 0.152 0.000 1.180 353 D CA 0.383 54.478 54.000 0.157 0.000 0.895 353 D CB 0.613 41.562 40.800 0.248 0.000 1.192 353 D HN 0.082 nan 8.370 nan 0.000 0.438 354 T N 1.717 116.342 114.554 0.119 0.000 2.738 354 T HA 0.208 4.596 4.350 0.064 0.000 0.293 354 T C 0.028 174.749 174.700 0.035 0.000 0.913 354 T CA -0.400 61.751 62.100 0.085 0.000 1.103 354 T CB -0.025 68.877 68.868 0.055 0.000 0.880 354 T HN 0.086 nan 8.240 nan 0.000 0.526 355 L N 5.304 126.542 121.223 0.025 0.000 2.312 355 L HA 0.590 4.969 4.340 0.064 0.000 0.281 355 L C -0.067 176.774 176.870 -0.048 0.000 1.070 355 L CA 0.277 55.029 54.840 -0.147 0.000 0.805 355 L CB 1.270 43.248 42.059 -0.135 0.000 1.174 355 L HN 0.534 nan 8.230 nan 0.000 0.434 356 T N 6.089 120.538 114.554 -0.174 0.000 2.916 356 T HA 0.529 4.918 4.350 0.064 0.000 0.298 356 T C -0.636 173.955 174.700 -0.181 0.000 1.031 356 T CA -0.396 61.618 62.100 -0.143 0.000 0.993 356 T CB 1.217 70.013 68.868 -0.120 0.000 1.045 356 T HN 0.453 nan 8.240 nan 0.000 0.454 357 L N 3.997 125.106 121.223 -0.191 0.000 2.301 357 L HA 0.531 4.910 4.340 0.064 0.000 0.278 357 L C -0.779 175.980 176.870 -0.185 0.000 1.022 357 L CA -0.817 53.907 54.840 -0.193 0.000 0.854 357 L CB 0.411 42.339 42.059 -0.219 0.000 1.226 357 L HN 0.475 nan 8.230 nan 0.000 0.429 358 I N 2.620 123.105 120.570 -0.142 0.000 2.577 358 I HA 0.730 4.938 4.170 0.064 0.000 0.300 358 I C 0.342 176.395 176.117 -0.106 0.000 0.990 358 I CA -0.042 61.180 61.300 -0.130 0.000 1.283 358 I CB 1.819 39.760 38.000 -0.098 0.000 1.411 358 I HN 0.615 nan 8.210 nan 0.000 0.515 359 A N 3.370 126.125 122.820 -0.108 0.000 2.513 359 A HA 0.590 4.948 4.320 0.064 0.000 0.296 359 A C -1.357 176.189 177.584 -0.064 0.000 1.052 359 A CA -0.878 51.113 52.037 -0.077 0.000 0.714 359 A CB 0.880 19.830 19.000 -0.085 0.000 1.279 359 A HN 0.695 nan 8.150 nan 0.000 0.397 360 D N 1.852 122.238 120.400 -0.025 0.000 2.383 360 D HA 0.152 4.830 4.640 0.064 0.000 0.248 360 D C 0.660 176.991 176.300 0.052 0.000 1.170 360 D CA -0.509 53.492 54.000 0.003 0.000 0.977 360 D CB 0.398 41.202 40.800 0.007 0.000 1.120 360 D HN 0.280 nan 8.370 nan 0.000 0.481 361 N N -0.249 118.511 118.700 0.100 0.000 2.011 361 N HA -0.146 4.632 4.740 0.064 0.000 0.199 361 N C 0.563 176.161 175.510 0.146 0.000 1.047 361 N CA 2.109 55.281 53.050 0.202 0.000 0.863 361 N CB -1.002 37.529 38.487 0.073 0.000 1.056 361 N HN 0.765 nan 8.380 nan 0.000 0.427 362 T N -0.184 114.407 114.554 0.061 0.000 3.151 362 T HA 0.439 4.827 4.350 0.064 0.000 0.332 362 T C -2.855 171.867 174.700 0.037 0.000 1.245 362 T CA -2.040 60.085 62.100 0.042 0.000 1.019 362 T CB 1.096 69.975 68.868 0.018 0.000 1.109 362 T HN -0.083 nan 8.240 nan 0.000 0.621 363 P HA 0.235 nan 4.420 nan 0.000 0.264 363 P C 0.021 177.337 177.300 0.026 0.000 1.229 363 P CA -0.111 63.007 63.100 0.028 0.000 0.780 363 P CB 0.608 32.325 31.700 0.028 0.000 0.808 364 D N 0.443 120.856 120.400 0.022 0.000 2.271 364 D HA 0.007 4.686 4.640 0.064 0.000 0.206 364 D C 0.631 176.946 176.300 0.024 0.000 0.967 364 D CA 0.989 55.002 54.000 0.022 0.000 0.867 364 D CB 0.293 41.104 40.800 0.019 0.000 0.960 364 D HN 0.429 nan 8.370 nan 0.000 0.509 365 S N -1.008 114.704 115.700 0.021 0.000 2.587 365 S HA 0.463 4.972 4.470 0.064 0.000 0.269 365 S C -1.071 173.537 174.600 0.013 0.000 1.154 365 S CA -1.050 57.164 58.200 0.023 0.000 0.824 365 S CB 1.627 64.844 63.200 0.028 0.000 1.118 365 S HN 0.035 nan 8.310 nan 0.000 0.462 366 I N 1.190 121.768 120.570 0.013 0.000 2.493 366 I HA 0.595 4.803 4.170 0.064 0.000 0.298 366 I C -1.401 174.719 176.117 0.006 0.000 0.998 366 I CA -1.637 59.660 61.300 -0.006 0.000 1.137 366 I CB 1.086 39.073 38.000 -0.022 0.000 1.310 366 I HN 0.719 nan 8.210 nan 0.000 0.445 367 I N 7.822 128.383 120.570 -0.014 0.000 2.355 367 I HA 0.254 4.462 4.170 0.064 0.000 0.288 367 I C -1.093 175.010 176.117 -0.022 0.000 0.999 367 I CA -0.723 60.580 61.300 0.005 0.000 1.163 367 I CB 1.508 39.504 38.000 -0.006 0.000 1.316 367 I HN 0.371 nan 8.210 nan 0.000 0.454 368 L N 7.452 128.690 121.223 0.026 0.000 2.272 368 L HA 0.371 4.750 4.340 0.064 0.000 0.289 368 L C -0.465 176.380 176.870 -0.042 0.000 1.032 368 L CA -0.284 54.514 54.840 -0.070 0.000 0.810 368 L CB 1.184 43.211 42.059 -0.052 0.000 1.205 368 L HN 0.418 nan 8.230 nan 0.000 0.422 369 L N 4.781 125.903 121.223 -0.168 0.000 2.301 369 L HA 0.545 4.924 4.340 0.064 0.000 0.278 369 L C -0.953 175.840 176.870 -0.129 0.000 1.022 369 L CA 0.048 54.850 54.840 -0.064 0.000 0.854 369 L CB 0.057 42.088 42.059 -0.046 0.000 1.226 369 L HN 0.211 nan 8.230 nan 0.000 0.429 370 F N 3.169 123.189 119.950 0.117 0.000 2.410 370 F HA 0.463 5.028 4.527 0.064 0.000 0.348 370 F C 0.544 176.387 175.800 0.071 0.000 1.106 370 F CA -0.167 57.899 58.000 0.110 0.000 1.163 370 F CB 0.932 40.029 39.000 0.163 0.000 1.129 370 F HN 0.420 nan 8.300 nan 0.000 0.516 371 E N 2.194 122.521 120.200 0.211 0.000 2.265 371 E HA 0.215 4.604 4.350 0.064 0.000 0.262 371 E C -1.364 175.304 176.600 0.113 0.000 0.889 371 E CA -0.962 55.516 56.400 0.129 0.000 0.789 371 E CB 1.675 31.418 29.700 0.071 0.000 1.221 371 E HN 0.488 nan 8.360 nan 0.000 0.414 372 D N 0.969 121.424 120.400 0.092 0.000 2.352 372 D HA -0.054 4.624 4.640 0.064 0.000 0.238 372 D C 1.573 177.896 176.300 0.038 0.000 1.286 372 D CA 0.367 54.405 54.000 0.064 0.000 0.923 372 D CB 0.642 41.466 40.800 0.041 0.000 1.146 372 D HN 0.494 nan 8.370 nan 0.000 0.471 373 T N -2.071 112.498 114.554 0.025 0.000 2.833 373 T HA -0.117 4.272 4.350 0.064 0.000 0.269 373 T C 0.859 175.553 174.700 -0.011 0.000 1.054 373 T CA 0.712 62.818 62.100 0.010 0.000 1.135 373 T CB 0.018 68.890 68.868 0.007 0.000 0.869 373 T HN -0.006 nan 8.240 nan 0.000 0.466 374 K N 1.284 121.667 120.400 -0.029 0.000 2.298 374 K HA 0.382 4.741 4.320 0.064 0.000 0.280 374 K C 0.942 177.509 176.600 -0.055 0.000 1.032 374 K CA -0.303 55.943 56.287 -0.069 0.000 0.958 374 K CB 1.066 33.492 32.500 -0.123 0.000 0.978 374 K HN -0.101 nan 8.250 nan 0.000 0.472 375 K N 1.626 121.987 120.400 -0.064 0.000 2.209 375 K HA -0.100 4.258 4.320 0.064 0.000 0.204 375 K C 0.514 177.090 176.600 -0.041 0.000 1.048 375 K CA 1.383 57.645 56.287 -0.042 0.000 0.940 375 K CB 0.038 32.514 32.500 -0.039 0.000 0.729 375 K HN 0.604 nan 8.250 nan 0.000 0.451 376 D N -0.105 120.245 120.400 -0.083 0.000 2.084 376 D HA -0.133 4.546 4.640 0.064 0.000 0.196 376 D C 0.749 177.048 176.300 -0.002 0.000 0.985 376 D CA 0.762 54.726 54.000 -0.060 0.000 0.826 376 D CB -0.125 40.581 40.800 -0.157 0.000 0.978 376 D HN -0.040 nan 8.370 nan 0.000 0.456 377 R N 1.178 121.677 120.500 -0.003 0.000 2.347 377 R HA 0.207 4.586 4.340 0.064 0.000 0.304 377 R C -0.530 175.804 176.300 0.057 0.000 1.072 377 R CA 0.052 56.179 56.100 0.045 0.000 0.980 377 R CB 0.294 30.622 30.300 0.046 0.000 0.986 377 R HN 0.077 nan 8.270 nan 0.000 0.448 378 I N 1.783 122.395 120.570 0.071 0.000 2.769 378 I HA 0.494 4.702 4.170 0.064 0.000 0.298 378 I C -0.731 175.433 176.117 0.079 0.000 1.128 378 I CA -0.935 60.410 61.300 0.074 0.000 1.031 378 I CB 1.972 40.002 38.000 0.049 0.000 1.235 378 I HN 0.647 nan 8.210 nan 0.000 0.423 379 A N 4.792 127.675 122.820 0.104 0.000 2.485 379 A HA 0.632 4.990 4.320 0.064 0.000 0.285 379 A C -0.893 176.745 177.584 0.090 0.000 1.045 379 A CA -0.620 51.447 52.037 0.049 0.000 0.792 379 A CB 1.263 20.315 19.000 0.088 0.000 1.307 379 A HN 0.778 nan 8.150 nan 0.000 0.406 380 E N 1.648 121.775 120.200 -0.121 0.000 2.238 380 E HA 0.802 5.190 4.350 0.064 0.000 0.267 380 E C -1.665 174.774 176.600 -0.269 0.000 0.887 380 E CA -0.654 55.723 56.400 -0.039 0.000 0.769 380 E CB 1.654 31.347 29.700 -0.011 0.000 1.187 380 E HN 0.524 nan 8.360 nan 0.000 0.416 381 Y N 0.561 120.957 120.300 0.160 0.000 2.576 381 Y HA 0.548 5.136 4.550 0.065 0.000 0.346 381 Y C -0.272 175.675 175.900 0.078 0.000 1.018 381 Y CA -1.116 57.062 58.100 0.129 0.000 1.050 381 Y CB 2.773 41.343 38.460 0.184 0.000 1.280 381 Y HN 0.565 nan 8.280 nan 0.000 0.474 382 S N 2.186 118.018 115.700 0.219 0.000 2.707 382 S HA 0.547 5.056 4.470 0.064 0.000 0.303 382 S C -1.954 172.714 174.600 0.113 0.000 1.132 382 S CA -0.497 57.777 58.200 0.124 0.000 1.046 382 S CB 0.420 63.665 63.200 0.075 0.000 1.004 382 S HN 0.547 nan 8.310 nan 0.000 0.483 383 L N 5.551 126.827 121.223 0.088 0.000 2.272 383 L HA 0.577 4.955 4.340 0.064 0.000 0.289 383 L C 0.024 176.924 176.870 0.051 0.000 1.032 383 L CA -0.296 54.586 54.840 0.069 0.000 0.810 383 L CB 1.061 43.156 42.059 0.060 0.000 1.205 383 L HN 0.578 nan 8.230 nan 0.000 0.422 384 K N 5.830 126.259 120.400 0.048 0.000 2.416 384 K HA 0.180 4.538 4.320 0.064 0.000 0.283 384 K C -0.824 175.800 176.600 0.041 0.000 1.037 384 K CA -0.104 56.207 56.287 0.040 0.000 0.995 384 K CB 0.151 32.673 32.500 0.037 0.000 0.938 384 K HN 0.734 nan 8.250 nan 0.000 0.475 385 L N 4.730 125.976 121.223 0.039 0.000 2.418 385 L HA 0.209 4.587 4.340 0.064 0.000 0.265 385 L C 0.975 177.871 176.870 0.044 0.000 1.143 385 L CA -0.528 54.340 54.840 0.045 0.000 0.809 385 L CB 0.800 42.886 42.059 0.045 0.000 1.124 385 L HN 0.490 nan 8.230 nan 0.000 0.456 386 M N 0.874 120.505 119.600 0.050 0.000 2.527 386 M HA 0.274 4.792 4.480 0.064 0.000 0.283 386 M C -0.610 175.716 176.300 0.043 0.000 1.188 386 M CA -0.373 54.953 55.300 0.045 0.000 0.941 386 M CB 0.968 33.597 32.600 0.048 0.000 1.498 386 M HN 0.372 nan 8.290 nan 0.000 0.510 387 D N 1.476 121.899 120.400 0.038 0.000 2.462 387 D HA 0.596 5.275 4.640 0.064 0.000 0.245 387 D C -1.420 174.900 176.300 0.035 0.000 1.122 387 D CA -0.154 53.867 54.000 0.036 0.000 0.864 387 D CB 0.510 41.329 40.800 0.031 0.000 1.098 387 D HN 0.404 nan 8.370 nan 0.000 0.541 388 I N 1.771 122.362 120.570 0.036 0.000 2.647 388 I HA 0.302 4.510 4.170 0.064 0.000 0.295 388 I C -0.503 175.633 176.117 0.031 0.000 1.078 388 I CA -1.068 60.252 61.300 0.033 0.000 1.048 388 I CB 2.243 40.261 38.000 0.031 0.000 1.239 388 I HN 0.069 nan 8.210 nan 0.000 0.421 389 D N 3.247 123.666 120.400 0.032 0.000 2.210 389 D HA 0.435 5.113 4.640 0.064 0.000 0.249 389 D C 0.603 176.923 176.300 0.032 0.000 1.078 389 D CA -0.290 53.731 54.000 0.035 0.000 0.875 389 D CB 2.126 42.949 40.800 0.039 0.000 1.175 389 D HN 0.620 nan 8.370 nan 0.000 0.440 390 A N 2.386 125.225 122.820 0.031 0.000 1.878 390 A HA -0.021 4.337 4.320 0.064 0.000 0.213 390 A C 0.569 178.170 177.584 0.028 0.000 1.192 390 A CA 0.488 52.536 52.037 0.018 0.000 0.619 390 A CB -0.249 18.756 19.000 0.010 0.000 0.837 390 A HN 0.484 nan 8.150 nan 0.000 0.446 391 D N -0.937 119.503 120.400 0.066 0.000 2.548 391 D HA 0.294 4.973 4.640 0.064 0.000 0.231 391 D C -0.699 175.695 176.300 0.158 0.000 1.142 391 D CA 0.852 54.937 54.000 0.142 0.000 0.866 391 D CB 0.269 41.187 40.800 0.197 0.000 1.190 391 D HN 0.245 nan 8.370 nan 0.000 0.469 392 F N 1.938 121.887 119.950 -0.000 0.000 2.578 392 F HA 0.576 5.136 4.527 0.057 0.000 0.311 392 F C -1.741 174.052 175.800 -0.012 0.000 1.094 392 F CA -0.996 57.001 58.000 -0.004 0.000 0.923 392 F CB 1.269 40.267 39.000 -0.004 0.000 1.230 392 F HN 0.232 nan 8.300 nan 0.000 0.450 393 L N 5.629 126.318 121.223 -0.891 0.000 2.464 393 L HA 0.627 5.006 4.340 0.064 0.000 0.266 393 L C -1.889 174.524 176.870 -0.762 0.000 0.965 393 L CA -0.620 53.864 54.840 -0.595 0.000 0.833 393 L CB 1.740 43.616 42.059 -0.304 0.000 1.296 393 L HN 0.734 nan 8.230 nan 0.000 0.405 394 K N 5.122 125.269 120.400 -0.421 0.000 2.553 394 K HA 0.566 4.924 4.320 0.064 0.000 0.250 394 K C -1.790 174.721 176.600 -0.148 0.000 0.953 394 K CA -0.233 55.904 56.287 -0.250 0.000 0.800 394 K CB 1.473 33.937 32.500 -0.059 0.000 1.243 394 K HN 0.547 nan 8.250 nan 0.000 0.435 395 I N 3.708 124.196 120.570 -0.136 0.000 2.371 395 I HA 0.253 4.462 4.170 0.064 0.000 0.282 395 I C 0.285 176.365 176.117 -0.061 0.000 1.031 395 I CA -0.828 60.393 61.300 -0.132 0.000 1.180 395 I CB 1.458 39.358 38.000 -0.168 0.000 1.336 395 I HN 0.654 nan 8.210 nan 0.000 0.467 396 E N 5.803 125.976 120.200 -0.044 0.000 2.408 396 E HA 0.055 4.443 4.350 0.064 0.000 0.259 396 E C -0.290 176.300 176.600 -0.015 0.000 1.110 396 E CA -0.410 55.977 56.400 -0.021 0.000 0.929 396 E CB 0.776 30.465 29.700 -0.018 0.000 0.971 396 E HN 0.475 nan 8.360 nan 0.000 0.438 397 E N 2.872 123.065 120.200 -0.012 0.000 2.383 397 E HA 0.015 4.403 4.350 0.064 0.000 0.257 397 E C -0.648 175.929 176.600 -0.038 0.000 1.079 397 E CA 0.193 56.588 56.400 -0.009 0.000 0.934 397 E CB 0.297 29.991 29.700 -0.009 0.000 0.978 397 E HN 0.314 nan 8.360 nan 0.000 0.462 398 L N 3.926 125.129 121.223 -0.033 0.000 2.272 398 L HA 0.254 4.633 4.340 0.064 0.000 0.289 398 L C 0.202 176.915 176.870 -0.262 0.000 1.032 398 L CA -0.501 54.235 54.840 -0.173 0.000 0.810 398 L CB 0.889 42.872 42.059 -0.126 0.000 1.205 398 L HN 0.390 nan 8.230 nan 0.000 0.422 399 Q N 2.930 122.522 119.800 -0.347 0.000 2.282 399 Q HA 0.498 4.877 4.340 0.064 0.000 0.260 399 Q C -1.579 174.172 176.000 -0.415 0.000 0.964 399 Q CA -0.607 55.049 55.803 -0.245 0.000 0.880 399 Q CB 2.249 30.915 28.738 -0.121 0.000 1.286 399 Q HN 0.396 nan 8.270 nan 0.000 0.445 400 Y N 0.483 120.761 120.300 -0.036 0.000 2.468 400 Y HA 0.165 4.753 4.550 0.063 0.000 0.342 400 Y C 0.513 176.383 175.900 -0.050 0.000 1.021 400 Y CA -0.722 57.349 58.100 -0.048 0.000 1.079 400 Y CB 1.542 39.955 38.460 -0.078 0.000 1.226 400 Y HN 0.624 nan 8.280 nan 0.000 0.460 401 D N 0.237 120.699 120.400 0.103 0.000 2.106 401 D HA -0.012 4.667 4.640 0.064 0.000 0.203 401 D C -0.069 176.245 176.300 0.023 0.000 0.977 401 D CA 1.162 55.185 54.000 0.039 0.000 0.844 401 D CB 0.050 40.861 40.800 0.019 0.000 1.002 401 D HN 0.309 nan 8.370 nan 0.000 0.461 402 S N -0.740 114.969 115.700 0.014 0.000 2.503 402 S HA 0.629 5.138 4.470 0.064 0.000 0.301 402 S C -0.406 174.143 174.600 -0.085 0.000 1.087 402 S CA -0.661 57.517 58.200 -0.037 0.000 1.042 402 S CB 2.357 65.526 63.200 -0.051 0.000 1.043 402 S HN -0.066 nan 8.310 nan 0.000 0.489 403 T N 3.287 117.775 114.554 -0.111 0.000 2.949 403 T HA 0.545 4.934 4.350 0.064 0.000 0.300 403 T C -0.634 173.967 174.700 -0.166 0.000 0.988 403 T CA -0.593 61.404 62.100 -0.172 0.000 0.993 403 T CB 0.316 69.089 68.868 -0.158 0.000 0.984 403 T HN 0.596 nan 8.240 nan 0.000 0.442 404 L N 0.718 121.818 121.223 -0.204 0.000 2.309 404 L HA 1.053 5.431 4.340 0.064 0.000 0.261 404 L C -0.446 176.297 176.870 -0.212 0.000 1.021 404 L CA -0.979 53.756 54.840 -0.174 0.000 0.823 404 L CB 2.397 44.376 42.059 -0.133 0.000 1.366 404 L HN 0.612 nan 8.230 nan 0.000 0.423 405 S N 1.471 117.065 115.700 -0.176 0.000 2.536 405 S HA 0.882 5.391 4.470 0.064 0.000 0.271 405 S C -0.863 173.650 174.600 -0.144 0.000 1.134 405 S CA -0.705 57.381 58.200 -0.189 0.000 0.897 405 S CB 1.750 64.842 63.200 -0.180 0.000 1.094 405 S HN 1.190 nan 8.310 nan 0.000 0.473 406 L N -2.493 118.654 121.223 -0.127 0.000 2.720 406 L HA 0.795 5.173 4.340 0.064 0.000 0.261 406 L C -3.363 173.488 176.870 -0.032 0.000 1.046 406 L CA -2.698 52.100 54.840 -0.070 0.000 0.886 406 L CB 1.103 43.158 42.059 -0.006 0.000 1.493 406 L HN 0.317 nan 8.230 nan 0.000 0.407 407 P HA 0.059 nan 4.420 nan 0.000 0.262 407 P C 0.701 178.054 177.300 0.088 0.000 1.199 407 P CA 0.288 63.413 63.100 0.042 0.000 0.763 407 P CB 1.030 32.758 31.700 0.047 0.000 0.790 408 S N 2.389 118.161 115.700 0.119 0.000 2.387 408 S HA -0.222 4.286 4.470 0.064 0.000 0.230 408 S C 1.854 176.564 174.600 0.184 0.000 1.035 408 S CA 1.755 60.088 58.200 0.222 0.000 1.014 408 S CB -1.383 62.014 63.200 0.329 0.000 0.836 408 S HN 0.515 nan 8.310 nan 0.000 0.466 409 S N 1.651 117.412 115.700 0.101 0.000 2.399 409 S HA -0.137 4.371 4.470 0.064 0.000 0.231 409 S C 1.901 176.515 174.600 0.023 0.000 1.022 409 S CA 1.060 59.287 58.200 0.046 0.000 0.983 409 S CB -0.578 62.637 63.200 0.025 0.000 0.803 409 S HN 0.741 nan 8.310 nan 0.000 0.480 410 E N 0.370 120.598 120.200 0.046 0.000 2.046 410 E HA -0.100 4.288 4.350 0.064 0.000 0.190 410 E C 1.828 178.419 176.600 -0.015 0.000 0.982 410 E CA 0.951 57.361 56.400 0.017 0.000 0.800 410 E CB -0.310 29.419 29.700 0.049 0.000 0.756 410 E HN 0.557 nan 8.360 nan 0.000 0.449 411 F N 1.010 120.900 119.950 -0.100 0.000 2.216 411 F HA -0.166 4.398 4.527 0.061 0.000 0.300 411 F C 2.447 178.153 175.800 -0.156 0.000 1.085 411 F CA 1.637 59.541 58.000 -0.160 0.000 1.326 411 F CB -0.473 38.485 39.000 -0.070 0.000 1.027 411 F HN 0.011 nan 8.300 nan 0.000 0.497 412 S N -0.067 115.561 115.700 -0.120 0.000 2.368 412 S HA -0.215 4.294 4.470 0.064 0.000 0.224 412 S C 2.279 176.721 174.600 -0.264 0.000 1.029 412 S CA 1.490 59.565 58.200 -0.209 0.000 0.988 412 S CB -0.463 62.700 63.200 -0.061 0.000 0.838 412 S HN 0.513 nan 8.310 nan 0.000 0.462 413 K N 0.588 120.869 120.400 -0.199 0.000 2.002 413 K HA -0.045 4.313 4.320 0.064 0.000 0.209 413 K C 2.083 178.538 176.600 -0.242 0.000 1.048 413 K CA 1.724 57.900 56.287 -0.186 0.000 0.930 413 K CB -0.412 32.007 32.500 -0.134 0.000 0.714 413 K HN 0.430 nan 8.250 nan 0.000 0.438 414 I N 0.972 121.351 120.570 -0.317 0.000 2.145 414 I HA -0.336 3.872 4.170 0.064 0.000 0.244 414 I C 2.304 178.185 176.117 -0.393 0.000 1.075 414 I CA 1.279 62.346 61.300 -0.389 0.000 1.332 414 I CB -0.357 37.242 38.000 -0.668 0.000 1.033 414 I HN 0.044 nan 8.210 nan 0.000 0.410 415 V N 0.628 120.224 119.914 -0.531 0.000 2.270 415 V HA -0.253 3.905 4.120 0.064 0.000 0.245 415 V C 2.568 178.503 176.094 -0.265 0.000 1.043 415 V CA 1.821 63.854 62.300 -0.444 0.000 1.014 415 V CB -0.724 30.729 31.823 -0.617 0.000 0.645 415 V HN 0.354 nan 8.190 nan 0.000 0.447 416 R N -0.067 120.285 120.500 -0.247 0.000 2.091 416 R HA -0.172 4.206 4.340 0.064 0.000 0.238 416 R C 2.099 178.321 176.300 -0.130 0.000 1.136 416 R CA 1.870 57.867 56.100 -0.172 0.000 0.959 416 R CB -0.471 29.732 30.300 -0.160 0.000 0.856 416 R HN 0.548 nan 8.270 nan 0.000 0.437 417 D N 0.676 121.002 120.400 -0.125 0.000 2.084 417 D HA -0.141 4.537 4.640 0.064 0.000 0.194 417 D C 1.980 178.283 176.300 0.005 0.000 0.990 417 D CA 1.148 55.109 54.000 -0.064 0.000 0.826 417 D CB -0.270 40.512 40.800 -0.030 0.000 0.971 417 D HN 0.165 nan 8.370 nan 0.000 0.453 418 L N 0.654 121.872 121.223 -0.008 0.000 2.201 418 L HA -0.093 4.285 4.340 0.064 0.000 0.212 418 L C 2.331 179.204 176.870 0.005 0.000 1.105 418 L CA 0.621 55.477 54.840 0.026 0.000 0.775 418 L CB -0.295 41.762 42.059 -0.003 0.000 0.913 418 L HN -0.075 nan 8.230 nan 0.000 0.440 419 S N -0.527 115.148 115.700 -0.041 0.000 2.440 419 S HA -0.171 4.337 4.470 0.064 0.000 0.238 419 S C 1.915 176.497 174.600 -0.030 0.000 1.010 419 S CA 0.916 59.089 58.200 -0.045 0.000 0.972 419 S CB -0.138 63.013 63.200 -0.082 0.000 0.774 419 S HN 0.448 nan 8.310 nan 0.000 0.501 420 Q N 0.540 120.326 119.800 -0.022 0.000 2.224 420 Q HA 0.071 4.449 4.340 0.064 0.000 0.203 420 Q C 2.009 178.012 176.000 0.005 0.000 0.970 420 Q CA 0.858 56.650 55.803 -0.019 0.000 0.865 420 Q CB -0.286 28.434 28.738 -0.030 0.000 0.922 420 Q HN 0.537 nan 8.270 nan 0.000 0.445 421 L N -1.024 120.218 121.223 0.032 0.000 2.221 421 L HA 0.128 4.506 4.340 0.064 0.000 0.202 421 L C 1.280 178.170 176.870 0.033 0.000 1.074 421 L CA 0.249 55.117 54.840 0.048 0.000 0.795 421 L CB 0.154 42.267 42.059 0.089 0.000 0.960 421 L HN -0.073 nan 8.230 nan 0.000 0.458 422 S N -1.382 114.335 115.700 0.028 0.000 2.632 422 S HA 0.282 4.790 4.470 0.064 0.000 0.289 422 S C -0.390 174.218 174.600 0.013 0.000 1.115 422 S CA -0.655 57.559 58.200 0.024 0.000 0.889 422 S CB 1.625 64.845 63.200 0.033 0.000 1.116 422 S HN 0.073 nan 8.310 nan 0.000 0.486 423 D N 1.277 121.685 120.400 0.013 0.000 2.339 423 D HA 0.269 4.947 4.640 0.064 0.000 0.217 423 D C -0.418 175.897 176.300 0.026 0.000 1.050 423 D CA 0.514 54.517 54.000 0.005 0.000 0.856 423 D CB 0.432 41.233 40.800 0.001 0.000 0.922 423 D HN 0.274 nan 8.370 nan 0.000 0.518 424 S N 0.137 115.862 115.700 0.041 0.000 2.557 424 S HA 0.526 5.035 4.470 0.064 0.000 0.291 424 S C -0.194 174.453 174.600 0.077 0.000 1.116 424 S CA -0.638 57.600 58.200 0.065 0.000 0.992 424 S CB 2.125 65.355 63.200 0.050 0.000 1.028 424 S HN -0.014 nan 8.310 nan 0.000 0.484 425 I N 2.779 123.425 120.570 0.126 0.000 2.474 425 I HA 0.418 4.626 4.170 0.064 0.000 0.294 425 I C -0.367 175.871 176.117 0.201 0.000 1.005 425 I CA -0.724 60.671 61.300 0.158 0.000 1.113 425 I CB 1.971 40.079 38.000 0.179 0.000 1.289 425 I HN 0.538 nan 8.210 nan 0.000 0.436 426 N N 6.290 125.082 118.700 0.155 0.000 2.417 426 N HA 0.513 5.291 4.740 0.064 0.000 0.274 426 N C -1.230 174.348 175.510 0.113 0.000 0.987 426 N CA -0.437 52.676 53.050 0.104 0.000 0.912 426 N CB 1.138 39.640 38.487 0.025 0.000 1.177 426 N HN 0.441 nan 8.380 nan 0.000 0.490 427 I N 3.334 123.985 120.570 0.136 0.000 2.336 427 I HA 0.319 4.528 4.170 0.064 0.000 0.292 427 I C -0.240 175.831 176.117 -0.078 0.000 0.991 427 I CA -0.463 60.822 61.300 -0.025 0.000 1.227 427 I CB 1.393 39.454 38.000 0.102 0.000 1.366 427 I HN 0.452 nan 8.210 nan 0.000 0.466 428 M N 7.347 126.844 119.600 -0.170 0.000 2.253 428 M HA 0.524 5.042 4.480 0.064 0.000 0.314 428 M C -1.564 174.655 176.300 -0.135 0.000 1.019 428 M CA -0.612 54.618 55.300 -0.115 0.000 0.932 428 M CB 1.639 34.188 32.600 -0.085 0.000 1.606 428 M HN 0.375 nan 8.290 nan 0.000 0.430 429 I N 4.964 125.479 120.570 -0.093 0.000 2.390 429 I HA 0.366 4.574 4.170 0.064 0.000 0.283 429 I C 0.076 176.160 176.117 -0.054 0.000 1.016 429 I CA -0.225 61.025 61.300 -0.084 0.000 1.151 429 I CB 1.021 38.974 38.000 -0.078 0.000 1.293 429 I HN 0.708 nan 8.210 nan 0.000 0.458 430 T N 2.074 116.600 114.554 -0.047 0.000 2.927 430 T HA 0.409 4.798 4.350 0.064 0.000 0.286 430 T C 0.004 174.689 174.700 -0.024 0.000 1.040 430 T CA -1.034 61.048 62.100 -0.031 0.000 1.010 430 T CB 2.025 70.878 68.868 -0.025 0.000 1.177 430 T HN 0.472 nan 8.240 nan 0.000 0.546 431 K N 1.182 121.572 120.400 -0.017 0.000 2.405 431 K HA -0.071 4.287 4.320 0.064 0.000 0.276 431 K C -0.136 176.460 176.600 -0.006 0.000 1.099 431 K CA 0.661 56.941 56.287 -0.012 0.000 1.120 431 K CB -0.625 31.870 32.500 -0.009 0.000 0.877 431 K HN 0.801 nan 8.250 nan 0.000 0.472 432 E N 1.408 121.605 120.200 -0.005 0.000 2.513 432 E HA -0.198 4.190 4.350 0.064 0.000 0.257 432 E C -1.166 175.442 176.600 0.013 0.000 1.098 432 E CA 0.819 57.224 56.400 0.008 0.000 0.752 432 E CB -1.227 28.483 29.700 0.016 0.000 1.324 432 E HN 0.682 nan 8.360 nan 0.000 0.403 433 T N 0.367 114.921 114.554 -0.001 0.000 3.295 433 T HA 0.528 4.917 4.350 0.064 0.000 0.331 433 T C -0.471 174.211 174.700 -0.031 0.000 1.142 433 T CA -0.594 61.505 62.100 -0.002 0.000 1.078 433 T CB 1.144 70.008 68.868 -0.006 0.000 1.150 433 T HN 0.149 nan 8.240 nan 0.000 0.465 434 I N 2.900 123.454 120.570 -0.026 0.000 2.420 434 I HA 0.462 4.670 4.170 0.064 0.000 0.282 434 I C -0.172 175.864 176.117 -0.135 0.000 1.019 434 I CA -0.719 60.515 61.300 -0.110 0.000 1.130 434 I CB 1.676 39.635 38.000 -0.068 0.000 1.262 434 I HN 0.275 nan 8.210 nan 0.000 0.454 435 K N 6.959 127.228 120.400 -0.219 0.000 2.367 435 K HA 0.526 4.885 4.320 0.064 0.000 0.263 435 K C -1.340 175.121 176.600 -0.232 0.000 1.000 435 K CA -0.495 55.715 56.287 -0.130 0.000 0.891 435 K CB 0.905 33.371 32.500 -0.057 0.000 1.117 435 K HN 0.272 nan 8.250 nan 0.000 0.443 436 F N 3.240 123.208 119.950 0.029 0.000 2.404 436 F HA 0.377 4.942 4.527 0.063 0.000 0.345 436 F C 0.040 175.835 175.800 -0.008 0.000 1.110 436 F CA -0.616 57.403 58.000 0.032 0.000 1.130 436 F CB 1.453 40.470 39.000 0.028 0.000 1.129 436 F HN 0.029 nan 8.300 nan 0.000 0.500 437 V N 2.138 122.145 119.914 0.154 0.000 2.760 437 V HA 0.854 5.012 4.120 0.064 0.000 0.309 437 V C -0.780 175.355 176.094 0.069 0.000 1.077 437 V CA -0.992 61.349 62.300 0.069 0.000 0.910 437 V CB 1.827 33.668 31.823 0.030 0.000 1.008 437 V HN 0.917 nan 8.190 nan 0.000 0.424 438 A N 2.400 125.244 122.820 0.040 0.000 2.398 438 A HA 0.810 5.168 4.320 0.064 0.000 0.301 438 A C -1.555 176.051 177.584 0.036 0.000 1.041 438 A CA -0.419 51.644 52.037 0.044 0.000 0.711 438 A CB 1.672 20.701 19.000 0.048 0.000 1.240 438 A HN 0.740 nan 8.150 nan 0.000 0.420 439 D N 1.521 121.943 120.400 0.036 0.000 2.505 439 D HA 0.608 5.287 4.640 0.064 0.000 0.250 439 D C 0.214 176.535 176.300 0.035 0.000 1.164 439 D CA 0.422 54.442 54.000 0.034 0.000 0.870 439 D CB 1.490 42.307 40.800 0.027 0.000 1.160 439 D HN 0.770 nan 8.370 nan 0.000 0.549 440 G N 1.942 110.766 108.800 0.039 0.000 3.140 440 G HA2 0.257 4.256 3.960 0.064 0.000 0.271 440 G HA3 0.257 4.256 3.960 0.064 0.000 0.271 440 G C 0.402 175.323 174.900 0.034 0.000 1.370 440 G CA -0.472 44.648 45.100 0.034 0.000 1.014 440 G HN 0.304 nan 8.290 nan 0.000 0.541 441 D N -0.313 120.104 120.400 0.029 0.000 2.117 441 D HA -0.139 4.539 4.640 0.064 0.000 0.197 441 D C 2.504 178.824 176.300 0.033 0.000 0.987 441 D CA 1.529 55.546 54.000 0.028 0.000 0.829 441 D CB -0.092 40.722 40.800 0.023 0.000 0.961 441 D HN 0.459 nan 8.370 nan 0.000 0.460 442 I N -2.704 117.888 120.570 0.036 0.000 2.500 442 I HA 0.233 4.441 4.170 0.064 0.000 0.252 442 I C 1.032 177.180 176.117 0.052 0.000 1.142 442 I CA 0.824 62.149 61.300 0.042 0.000 1.451 442 I CB 0.029 38.052 38.000 0.039 0.000 1.093 442 I HN -0.000 nan 8.210 nan 0.000 0.430 443 G N 0.672 109.507 108.800 0.058 0.000 2.321 443 G HA2 0.301 4.300 3.960 0.064 0.000 0.298 443 G HA3 0.301 4.300 3.960 0.064 0.000 0.298 443 G C -0.993 173.953 174.900 0.076 0.000 1.385 443 G CA -0.122 45.018 45.100 0.068 0.000 0.856 443 G HN 0.461 nan 8.290 nan 0.000 0.584 444 S N -1.345 114.399 115.700 0.072 0.000 2.713 444 S HA 0.922 5.431 4.470 0.064 0.000 0.277 444 S C 0.317 174.958 174.600 0.069 0.000 1.168 444 S CA 0.063 58.298 58.200 0.058 0.000 0.994 444 S CB 1.962 65.181 63.200 0.031 0.000 1.054 444 S HN 2.359 nan 8.310 nan 0.000 0.555 445 G N 0.157 108.953 108.800 -0.006 0.000 2.728 445 G HA2 0.513 4.511 3.960 0.064 0.000 0.294 445 G HA3 0.513 4.511 3.960 0.064 0.000 0.294 445 G C -1.088 173.676 174.900 -0.227 0.000 1.398 445 G CA -0.407 44.578 45.100 -0.193 0.000 1.183 445 G HN 1.317 nan 8.290 nan 0.000 0.578 446 S N 0.356 115.878 115.700 -0.295 0.000 2.594 446 S HA 0.743 5.251 4.470 0.064 0.000 0.296 446 S C -0.657 173.858 174.600 -0.140 0.000 1.124 446 S CA -0.760 57.357 58.200 -0.138 0.000 1.011 446 S CB 1.987 65.153 63.200 -0.057 0.000 1.016 446 S HN 0.814 nan 8.310 nan 0.000 0.485 447 V N 4.353 124.259 119.914 -0.014 0.000 2.435 447 V HA 0.508 4.666 4.120 0.064 0.000 0.290 447 V C -0.318 175.884 176.094 0.180 0.000 1.030 447 V CA -0.671 61.663 62.300 0.057 0.000 0.881 447 V CB 1.151 33.001 31.823 0.044 0.000 0.983 447 V HN 0.930 nan 8.190 nan 0.000 0.445 448 I N 6.473 127.121 120.570 0.130 0.000 2.437 448 I HA 0.440 4.648 4.170 0.064 0.000 0.279 448 I C -0.029 176.175 176.117 0.145 0.000 1.028 448 I CA -0.323 61.054 61.300 0.129 0.000 1.142 448 I CB 1.136 39.177 38.000 0.068 0.000 1.266 448 I HN 0.596 nan 8.210 nan 0.000 0.461 449 I N 2.289 122.980 120.570 0.202 0.000 2.499 449 I HA 0.592 4.801 4.170 0.064 0.000 0.296 449 I C -0.409 175.806 176.117 0.164 0.000 0.992 449 I CA -0.640 60.780 61.300 0.201 0.000 1.297 449 I CB 1.348 39.502 38.000 0.258 0.000 1.410 449 I HN 0.358 nan 8.210 nan 0.000 0.507 450 K N 5.731 126.248 120.400 0.194 0.000 2.292 450 K HA 0.594 4.953 4.320 0.064 0.000 0.257 450 K C -2.700 174.056 176.600 0.259 0.000 0.940 450 K CA -2.110 54.284 56.287 0.178 0.000 0.811 450 K CB 1.727 34.313 32.500 0.144 0.000 1.120 450 K HN 0.357 nan 8.250 nan 0.000 0.428 451 P HA 0.118 nan 4.420 nan 0.000 0.264 451 P C -1.241 176.174 177.300 0.193 0.000 1.193 451 P CA 0.109 63.256 63.100 0.079 0.000 0.763 451 P CB 0.114 31.831 31.700 0.028 0.000 0.810 452 F N 1.084 121.043 119.950 0.015 0.000 2.672 452 F HA 0.533 5.099 4.527 0.064 0.000 0.311 452 F C -1.853 173.957 175.800 0.016 0.000 1.113 452 F CA -1.492 56.517 58.000 0.016 0.000 0.996 452 F CB 0.677 39.690 39.000 0.021 0.000 1.286 452 F HN 0.159 nan 8.300 nan 0.000 0.441 453 V N 2.611 122.607 119.914 0.135 0.000 2.427 453 V HA 0.592 4.750 4.120 0.064 0.000 0.286 453 V C -1.443 174.773 176.094 0.203 0.000 1.034 453 V CA 0.079 62.417 62.300 0.063 0.000 0.893 453 V CB 1.403 33.245 31.823 0.031 0.000 0.982 453 V HN 0.879 nan 8.190 nan 0.000 0.452 454 D N 5.979 126.487 120.400 0.180 0.000 2.492 454 D HA 0.362 5.040 4.640 0.064 0.000 0.248 454 D C 0.727 177.099 176.300 0.119 0.000 1.101 454 D CA -0.566 53.564 54.000 0.217 0.000 0.840 454 D CB 1.848 42.858 40.800 0.349 0.000 1.209 454 D HN 0.425 nan 8.370 nan 0.000 0.524 455 M N 1.417 121.069 119.600 0.087 0.000 2.086 455 M HA -0.045 4.473 4.480 0.064 0.000 0.261 455 M C 0.322 176.636 176.300 0.023 0.000 1.067 455 M CA 1.342 56.669 55.300 0.044 0.000 1.116 455 M CB -0.957 31.661 32.600 0.031 0.000 1.348 455 M HN 0.313 nan 8.290 nan 0.000 0.407 456 E N 0.373 120.591 120.200 0.029 0.000 2.283 456 E HA 0.187 4.575 4.350 0.064 0.000 0.278 456 E C -0.336 176.279 176.600 0.024 0.000 1.027 456 E CA -0.171 56.193 56.400 -0.060 0.000 0.843 456 E CB 0.104 29.766 29.700 -0.063 0.000 1.062 456 E HN 0.202 nan 8.360 nan 0.000 0.401 457 H N 1.363 120.464 119.070 0.051 0.000 2.750 457 H HA -0.095 4.499 4.556 0.064 0.000 0.327 457 H C -1.840 173.525 175.328 0.061 0.000 1.199 457 H CA 0.526 56.608 56.048 0.057 0.000 1.149 457 H CB -0.937 28.868 29.762 0.072 0.000 1.543 457 H HN 0.561 nan 8.280 nan 0.000 0.427 458 P HA -0.096 nan 4.420 nan 0.000 0.226 458 P C 1.332 178.657 177.300 0.041 0.000 1.153 458 P CA 0.811 63.948 63.100 0.061 0.000 0.777 458 P CB 0.387 32.102 31.700 0.025 0.000 0.794 459 E N -0.454 119.783 120.200 0.061 0.000 2.208 459 E HA -0.071 4.318 4.350 0.064 0.000 0.193 459 E C 1.397 178.016 176.600 0.032 0.000 0.988 459 E CA 1.048 57.473 56.400 0.040 0.000 0.828 459 E CB -0.646 29.087 29.700 0.055 0.000 0.763 459 E HN 0.161 nan 8.360 nan 0.000 0.478 460 T N 0.552 115.148 114.554 0.069 0.000 3.278 460 T HA 0.058 4.446 4.350 0.064 0.000 0.251 460 T C 0.402 175.080 174.700 -0.035 0.000 1.039 460 T CA -0.108 62.030 62.100 0.064 0.000 0.935 460 T CB -0.126 68.822 68.868 0.133 0.000 1.034 460 T HN -0.092 nan 8.240 nan 0.000 0.575 461 S N 0.917 116.533 115.700 -0.140 0.000 2.580 461 S HA 0.509 5.018 4.470 0.064 0.000 0.274 461 S C -0.069 174.242 174.600 -0.481 0.000 1.329 461 S CA -0.592 57.361 58.200 -0.411 0.000 1.036 461 S CB 0.211 63.278 63.200 -0.223 0.000 0.919 461 S HN 0.434 nan 8.310 nan 0.000 0.515 462 I N 4.610 124.719 120.570 -0.768 0.000 2.371 462 I HA 0.290 4.499 4.170 0.064 0.000 0.282 462 I C -0.108 175.841 176.117 -0.279 0.000 1.031 462 I CA -0.510 60.530 61.300 -0.433 0.000 1.180 462 I CB 1.098 38.877 38.000 -0.368 0.000 1.336 462 I HN 0.514 nan 8.210 nan 0.000 0.467 463 K N 5.751 126.037 120.400 -0.190 0.000 2.118 463 K HA 0.655 5.014 4.320 0.064 0.000 0.267 463 K C -1.015 175.520 176.600 -0.108 0.000 0.991 463 K CA -0.751 55.455 56.287 -0.135 0.000 0.916 463 K CB 1.957 34.383 32.500 -0.122 0.000 1.041 463 K HN 0.249 nan 8.250 nan 0.000 0.455 464 L N 1.661 122.834 121.223 -0.084 0.000 2.476 464 L HA 0.245 4.624 4.340 0.064 0.000 0.269 464 L C -1.475 175.356 176.870 -0.064 0.000 0.965 464 L CA -0.015 54.781 54.840 -0.073 0.000 0.845 464 L CB 1.894 43.921 42.059 -0.052 0.000 1.259 464 L HN 0.659 nan 8.230 nan 0.000 0.403 465 E N 6.203 126.359 120.200 -0.072 0.000 2.916 465 E HA 0.294 4.682 4.350 0.064 0.000 0.217 465 E C -0.787 175.783 176.600 -0.051 0.000 1.100 465 E CA -0.161 56.203 56.400 -0.059 0.000 0.891 465 E CB 1.186 30.846 29.700 -0.066 0.000 1.311 465 E HN 0.618 nan 8.360 nan 0.000 0.421 466 M N 2.128 121.703 119.600 -0.041 0.000 2.209 466 M HA 0.245 4.763 4.480 0.064 0.000 0.355 466 M C -0.677 175.609 176.300 -0.023 0.000 1.171 466 M CA -0.082 55.197 55.300 -0.034 0.000 1.069 466 M CB 0.971 33.550 32.600 -0.034 0.000 1.622 466 M HN 0.069 nan 8.290 nan 0.000 0.459 467 D N 2.590 122.980 120.400 -0.017 0.000 2.388 467 D HA 0.114 4.793 4.640 0.064 0.000 0.208 467 D C -0.225 176.068 176.300 -0.012 0.000 1.035 467 D CA 0.646 54.639 54.000 -0.013 0.000 0.875 467 D CB 0.579 41.374 40.800 -0.009 0.000 0.984 467 D HN 0.711 nan 8.370 nan 0.000 0.508 468 Q N 0.008 119.801 119.800 -0.012 0.000 2.403 468 Q HA 0.293 4.672 4.340 0.064 0.000 0.267 468 Q C -2.925 173.066 176.000 -0.015 0.000 0.991 468 Q CA -1.743 54.053 55.803 -0.012 0.000 0.906 468 Q CB 2.496 31.228 28.738 -0.010 0.000 1.422 468 Q HN -0.241 nan 8.270 nan 0.000 0.400 469 P HA 0.022 nan 4.420 nan 0.000 0.266 469 P C -1.257 176.030 177.300 -0.021 0.000 1.193 469 P CA 0.036 63.123 63.100 -0.022 0.000 0.770 469 P CB 0.576 32.264 31.700 -0.020 0.000 0.836 470 V N 2.177 122.075 119.914 -0.027 0.000 2.760 470 V HA 0.413 4.571 4.120 0.064 0.000 0.309 470 V C -0.746 175.328 176.094 -0.035 0.000 1.077 470 V CA -0.328 61.958 62.300 -0.023 0.000 0.910 470 V CB 2.349 34.166 31.823 -0.010 0.000 1.008 470 V HN 0.426 nan 8.190 nan 0.000 0.424 471 D N 3.869 124.244 120.400 -0.042 0.000 2.421 471 D HA 0.584 5.262 4.640 0.064 0.000 0.254 471 D C -1.155 175.084 176.300 -0.101 0.000 1.238 471 D CA -0.040 53.925 54.000 -0.058 0.000 0.919 471 D CB 0.991 41.760 40.800 -0.052 0.000 1.152 471 D HN 0.429 nan 8.370 nan 0.000 0.552 472 L N 2.180 123.332 121.223 -0.118 0.000 2.365 472 L HA 0.566 4.945 4.340 0.064 0.000 0.273 472 L C 0.109 176.706 176.870 -0.454 0.000 1.000 472 L CA -0.750 53.900 54.840 -0.317 0.000 0.819 472 L CB 2.441 44.330 42.059 -0.283 0.000 1.284 472 L HN 0.172 nan 8.230 nan 0.000 0.418 473 T N 1.981 116.150 114.554 -0.642 0.000 2.859 473 T HA 0.711 5.100 4.350 0.064 0.000 0.281 473 T C -0.875 173.382 174.700 -0.738 0.000 1.005 473 T CA -0.241 61.577 62.100 -0.471 0.000 1.025 473 T CB 0.938 69.659 68.868 -0.245 0.000 0.977 473 T HN 0.136 nan 8.240 nan 0.000 0.458 474 F N 0.187 120.172 119.950 0.058 0.000 2.588 474 F HA 0.593 5.158 4.527 0.063 0.000 0.314 474 F C 0.847 176.714 175.800 0.112 0.000 1.069 474 F CA -1.264 56.795 58.000 0.099 0.000 0.931 474 F CB 1.457 40.542 39.000 0.142 0.000 1.260 474 F HN 0.654 nan 8.300 nan 0.000 0.465 475 G N 0.512 109.536 108.800 0.372 0.000 2.354 475 G HA2 0.397 4.395 3.960 0.064 0.000 0.266 475 G HA3 0.397 4.395 3.960 0.064 0.000 0.266 475 G C 0.747 175.738 174.900 0.152 0.000 1.242 475 G CA 0.069 45.321 45.100 0.252 0.000 0.923 475 G HN 1.004 nan 8.290 nan 0.000 0.476 476 A N 2.995 125.846 122.820 0.051 0.000 2.032 476 A HA -0.131 4.227 4.320 0.064 0.000 0.221 476 A C 2.227 179.747 177.584 -0.107 0.000 1.165 476 A CA 1.978 54.004 52.037 -0.018 0.000 0.645 476 A CB -0.285 18.697 19.000 -0.031 0.000 0.807 476 A HN 0.707 nan 8.150 nan 0.000 0.453 477 K N -1.495 118.781 120.400 -0.206 0.000 2.074 477 K HA -0.225 4.134 4.320 0.064 0.000 0.209 477 K C 1.597 177.969 176.600 -0.381 0.000 1.048 477 K CA 2.093 58.156 56.287 -0.373 0.000 0.926 477 K CB -0.307 31.821 32.500 -0.621 0.000 0.713 477 K HN 0.592 nan 8.250 nan 0.000 0.444 478 Y N 0.395 120.673 120.300 -0.037 0.000 2.397 478 Y HA 0.048 4.643 4.550 0.075 0.000 0.292 478 Y C 1.941 177.725 175.900 -0.192 0.000 1.115 478 Y CA 0.371 58.428 58.100 -0.071 0.000 1.208 478 Y CB -0.119 38.335 38.460 -0.010 0.000 1.046 478 Y HN -0.061 nan 8.280 nan 0.000 0.552 479 L N -0.450 120.728 121.223 -0.075 0.000 2.131 479 L HA -0.199 4.180 4.340 0.064 0.000 0.210 479 L C 1.936 178.656 176.870 -0.250 0.000 1.092 479 L CA 1.134 55.832 54.840 -0.236 0.000 0.759 479 L CB -0.564 41.388 42.059 -0.178 0.000 0.903 479 L HN 0.287 nan 8.230 nan 0.000 0.435 480 L N -0.671 120.437 121.223 -0.192 0.000 2.217 480 L HA -0.145 4.234 4.340 0.064 0.000 0.211 480 L C 1.869 178.631 176.870 -0.180 0.000 1.107 480 L CA 0.649 55.377 54.840 -0.185 0.000 0.783 480 L CB -0.428 41.538 42.059 -0.154 0.000 0.919 480 L HN 0.249 nan 8.230 nan 0.000 0.442 481 D N 0.084 120.381 120.400 -0.171 0.000 2.234 481 D HA -0.035 4.643 4.640 0.064 0.000 0.205 481 D C 2.275 178.371 176.300 -0.341 0.000 0.962 481 D CA 0.960 54.870 54.000 -0.149 0.000 0.855 481 D CB 0.236 41.021 40.800 -0.024 0.000 0.951 481 D HN 0.313 nan 8.370 nan 0.000 0.500 482 I N 1.416 121.664 120.570 -0.537 0.000 2.333 482 I HA -0.134 4.075 4.170 0.064 0.000 0.246 482 I C 2.335 178.165 176.117 -0.480 0.000 1.106 482 I CA 0.599 61.298 61.300 -1.001 0.000 1.411 482 I CB -0.287 37.147 38.000 -0.943 0.000 1.082 482 I HN -0.013 nan 8.210 nan 0.000 0.420 483 I N -1.327 119.108 120.570 -0.225 0.000 3.083 483 I HA -0.134 4.075 4.170 0.064 0.000 0.273 483 I C 1.932 177.946 176.117 -0.171 0.000 1.297 483 I CA 0.981 62.242 61.300 -0.064 0.000 1.452 483 I CB -0.484 37.446 38.000 -0.117 0.000 1.078 483 I HN 0.075 nan 8.210 nan 0.000 0.484 484 K N 2.030 122.291 120.400 -0.232 0.000 2.283 484 K HA 0.017 4.375 4.320 0.064 0.000 0.202 484 K C 1.870 178.305 176.600 -0.275 0.000 1.048 484 K CA 1.239 57.408 56.287 -0.196 0.000 0.948 484 K CB -0.429 31.996 32.500 -0.124 0.000 0.742 484 K HN 0.577 nan 8.250 nan 0.000 0.458 485 G N 0.321 108.824 108.800 -0.495 0.000 3.181 485 G HA2 -0.036 3.962 3.960 0.064 0.000 0.219 485 G HA3 -0.036 3.962 3.960 0.064 0.000 0.219 485 G C 1.123 175.261 174.900 -1.270 0.000 1.182 485 G CA -0.181 44.421 45.100 -0.830 0.000 0.791 485 G HN 0.103 nan 8.290 nan 0.000 0.537 486 S N 0.833 116.104 115.700 -0.716 0.000 2.474 486 S HA -0.117 4.391 4.470 0.064 0.000 0.235 486 S C 2.551 177.057 174.600 -0.156 0.000 0.997 486 S CA 1.155 59.188 58.200 -0.278 0.000 0.949 486 S CB -0.035 63.153 63.200 -0.020 0.000 0.766 486 S HN 0.613 nan 8.310 nan 0.000 0.517 487 S N 0.858 116.441 115.700 -0.194 0.000 2.607 487 S HA 0.203 4.711 4.470 0.064 0.000 0.224 487 S C 1.377 175.928 174.600 -0.082 0.000 0.969 487 S CA 0.197 58.334 58.200 -0.106 0.000 0.927 487 S CB -0.350 62.789 63.200 -0.102 0.000 0.772 487 S HN 0.425 nan 8.310 nan 0.000 0.533 488 L N 0.221 121.378 121.223 -0.111 0.000 2.357 488 L HA 0.341 4.719 4.340 0.064 0.000 0.211 488 L C 1.084 177.990 176.870 0.060 0.000 1.075 488 L CA 0.264 55.086 54.840 -0.030 0.000 0.830 488 L CB 0.201 42.236 42.059 -0.039 0.000 0.996 488 L HN 0.349 nan 8.230 nan 0.000 0.467 489 S N -1.440 114.332 115.700 0.120 0.000 2.541 489 S HA 0.219 4.727 4.470 0.064 0.000 0.271 489 S C -0.228 174.459 174.600 0.146 0.000 1.133 489 S CA -0.691 57.604 58.200 0.158 0.000 0.876 489 S CB 1.514 64.854 63.200 0.232 0.000 1.105 489 S HN 0.053 nan 8.310 nan 0.000 0.470 490 D N 2.020 122.476 120.400 0.094 0.000 2.178 490 D HA 0.029 4.708 4.640 0.064 0.000 0.201 490 D C 0.717 177.066 176.300 0.081 0.000 0.980 490 D CA 1.393 55.438 54.000 0.075 0.000 0.842 490 D CB 0.112 40.943 40.800 0.051 0.000 0.948 490 D HN 0.435 nan 8.370 nan 0.000 0.472 491 R N -0.832 119.713 120.500 0.075 0.000 2.939 491 R HA 0.689 5.068 4.340 0.064 0.000 0.254 491 R C -1.142 175.145 176.300 -0.022 0.000 1.123 491 R CA -0.933 55.178 56.100 0.019 0.000 1.020 491 R CB 2.840 33.122 30.300 -0.030 0.000 1.206 491 R HN -0.149 nan 8.270 nan 0.000 0.491 492 V N 0.148 119.958 119.914 -0.173 0.000 2.733 492 V HA 0.670 4.828 4.120 0.064 0.000 0.306 492 V C -0.858 174.972 176.094 -0.440 0.000 1.084 492 V CA -0.376 61.652 62.300 -0.453 0.000 0.905 492 V CB 1.941 33.402 31.823 -0.603 0.000 1.010 492 V HN 0.856 nan 8.190 nan 0.000 0.424 493 G N 6.219 114.734 108.800 -0.475 0.000 2.332 493 G HA2 0.664 4.662 3.960 0.064 0.000 0.310 493 G HA3 0.664 4.662 3.960 0.064 0.000 0.310 493 G C -0.784 173.790 174.900 -0.543 0.000 1.123 493 G CA -0.503 44.342 45.100 -0.426 0.000 0.873 493 G HN 0.781 nan 8.290 nan 0.000 0.460 494 I N 2.322 122.568 120.570 -0.540 0.000 2.466 494 I HA 0.274 4.482 4.170 0.064 0.000 0.279 494 I C -0.146 175.600 176.117 -0.617 0.000 1.033 494 I CA -0.798 60.078 61.300 -0.707 0.000 1.123 494 I CB 1.647 39.253 38.000 -0.656 0.000 1.237 494 I HN 0.245 nan 8.210 nan 0.000 0.460 495 R N 5.796 125.846 120.500 -0.751 0.000 2.234 495 R HA 0.616 4.995 4.340 0.064 0.000 0.324 495 R C -1.092 174.832 176.300 -0.627 0.000 1.054 495 R CA -0.006 55.615 56.100 -0.798 0.000 0.912 495 R CB 0.691 30.151 30.300 -1.399 0.000 1.030 495 R HN 0.536 nan 8.270 nan 0.000 0.455 496 L N 2.037 123.119 121.223 -0.235 0.000 2.343 496 L HA 0.485 4.863 4.340 0.064 0.000 0.278 496 L C -0.307 176.691 176.870 0.212 0.000 0.996 496 L CA -0.506 54.341 54.840 0.011 0.000 0.831 496 L CB 1.991 44.029 42.059 -0.035 0.000 1.232 496 L HN 0.554 nan 8.230 nan 0.000 0.413 497 S N 0.034 115.915 115.700 0.302 0.000 2.600 497 S HA 0.419 4.928 4.470 0.064 0.000 0.300 497 S C 0.833 175.473 174.600 0.068 0.000 1.087 497 S CA -0.218 58.065 58.200 0.137 0.000 0.965 497 S CB 1.878 65.049 63.200 -0.047 0.000 1.089 497 S HN 0.666 nan 8.310 nan 0.000 0.496 498 S N 1.809 117.519 115.700 0.016 0.000 2.528 498 S HA 0.204 4.713 4.470 0.064 0.000 0.219 498 S C 0.817 175.417 174.600 0.000 0.000 0.985 498 S CA 0.351 58.551 58.200 0.000 0.000 0.914 498 S CB -0.161 63.035 63.200 -0.007 0.000 0.776 498 S HN 0.677 nan 8.310 nan 0.000 0.526 499 E N 0.545 120.738 120.200 -0.011 0.000 2.508 499 E HA 0.535 4.923 4.350 0.064 0.000 0.217 499 E C 0.329 176.919 176.600 -0.016 0.000 0.896 499 E CA 0.315 56.710 56.400 -0.008 0.000 1.118 499 E CB 1.222 30.909 29.700 -0.022 0.000 1.133 499 E HN 0.586 nan 8.360 nan 0.000 0.526 500 A N 1.204 123.995 122.820 -0.049 0.000 2.311 500 A HA 0.680 5.038 4.320 0.064 0.000 0.334 500 A C -2.538 175.118 177.584 0.120 0.000 1.139 500 A CA -1.661 50.347 52.037 -0.048 0.000 0.830 500 A CB 0.318 19.116 19.000 -0.337 0.000 1.234 500 A HN -0.128 nan 8.150 nan 0.000 0.483 501 P HA 0.305 nan 4.420 nan 0.000 0.268 501 P C -0.327 177.205 177.300 0.387 0.000 1.205 501 P CA 0.161 63.452 63.100 0.318 0.000 0.771 501 P CB 0.602 32.538 31.700 0.392 0.000 0.858 502 A N 3.144 126.164 122.820 0.334 0.000 2.488 502 A HA 0.292 4.650 4.320 0.064 0.000 0.249 502 A C -0.366 177.157 177.584 -0.102 0.000 1.083 502 A CA 0.108 52.212 52.037 0.112 0.000 0.768 502 A CB -0.624 18.457 19.000 0.135 0.000 1.017 502 A HN 0.547 nan 8.150 nan 0.000 0.496 503 L N 3.550 124.461 121.223 -0.519 0.000 2.305 503 L HA 0.734 5.113 4.340 0.064 0.000 0.284 503 L C -1.466 174.911 176.870 -0.821 0.000 1.013 503 L CA -0.325 54.133 54.840 -0.637 0.000 0.819 503 L CB 0.605 42.203 42.059 -0.767 0.000 1.227 503 L HN 0.504 nan 8.230 nan 0.000 0.417 504 F N 3.912 123.640 119.950 -0.370 0.000 2.449 504 F HA 0.581 5.142 4.527 0.058 0.000 0.342 504 F C 0.104 175.732 175.800 -0.287 0.000 1.127 504 F CA -0.448 57.333 58.000 -0.365 0.000 0.975 504 F CB 1.564 40.393 39.000 -0.285 0.000 1.146 504 F HN 0.473 nan 8.300 nan 0.000 0.444 505 Q N 3.250 122.846 119.800 -0.339 0.000 2.356 505 Q HA 0.600 4.978 4.340 0.064 0.000 0.270 505 Q C -1.990 173.763 176.000 -0.410 0.000 1.058 505 Q CA -0.678 54.975 55.803 -0.250 0.000 0.802 505 Q CB 1.693 30.258 28.738 -0.289 0.000 1.303 505 Q HN 0.587 nan 8.270 nan 0.000 0.444 506 F N 2.496 122.499 119.950 0.089 0.000 2.403 506 F HA 0.315 4.880 4.527 0.063 0.000 0.355 506 F C -0.180 175.675 175.800 0.092 0.000 1.119 506 F CA -0.800 57.246 58.000 0.077 0.000 1.007 506 F CB 1.447 40.511 39.000 0.106 0.000 1.194 506 F HN 0.368 nan 8.300 nan 0.000 0.443 507 D N 5.677 126.186 120.400 0.183 0.000 2.343 507 D HA 0.270 4.948 4.640 0.064 0.000 0.255 507 D C 0.106 176.494 176.300 0.146 0.000 1.187 507 D CA 0.236 54.325 54.000 0.148 0.000 0.875 507 D CB 1.392 42.233 40.800 0.068 0.000 1.136 507 D HN 0.363 nan 8.370 nan 0.000 0.469 508 L N 1.231 122.540 121.223 0.143 0.000 2.416 508 L HA 0.356 4.734 4.340 0.064 0.000 0.263 508 L C 0.826 177.736 176.870 0.067 0.000 1.065 508 L CA -1.022 53.873 54.840 0.091 0.000 0.798 508 L CB 0.756 42.856 42.059 0.068 0.000 1.267 508 L HN 0.121 nan 8.230 nan 0.000 0.467 509 K N 0.571 120.995 120.400 0.040 0.000 2.315 509 K HA 0.062 4.420 4.320 0.064 0.000 0.291 509 K C 0.495 177.106 176.600 0.018 0.000 1.074 509 K CA 0.547 56.851 56.287 0.029 0.000 0.936 509 K CB 0.279 32.790 32.500 0.019 0.000 1.049 509 K HN 0.674 nan 8.250 nan 0.000 0.471 510 S N 1.596 117.315 115.700 0.032 0.000 3.171 510 S HA -0.137 4.371 4.470 0.064 0.000 0.279 510 S C -0.055 174.561 174.600 0.026 0.000 1.294 510 S CA 1.025 59.241 58.200 0.028 0.000 1.077 510 S CB -1.361 61.843 63.200 0.008 0.000 1.298 510 S HN 1.060 nan 8.310 nan 0.000 0.666 511 G N -0.202 108.626 108.800 0.047 0.000 2.706 511 G HA2 0.757 4.755 3.960 0.064 0.000 0.307 511 G HA3 0.757 4.755 3.960 0.064 0.000 0.307 511 G C -1.073 173.911 174.900 0.141 0.000 1.307 511 G CA -0.018 45.085 45.100 0.005 0.000 0.790 511 G HN 1.382 nan 8.290 nan 0.000 0.503 512 F N -2.112 117.872 119.950 0.056 0.000 2.744 512 F HA 0.754 5.319 4.527 0.063 0.000 0.311 512 F C -2.277 173.564 175.800 0.067 0.000 1.144 512 F CA -1.442 56.594 58.000 0.059 0.000 0.938 512 F CB 1.497 40.513 39.000 0.027 0.000 1.292 512 F HN 0.624 nan 8.300 nan 0.000 0.444 513 L N 2.740 124.190 121.223 0.378 0.000 2.325 513 L HA 0.611 4.989 4.340 0.064 0.000 0.281 513 L C -1.089 175.937 176.870 0.261 0.000 1.004 513 L CA -0.194 54.784 54.840 0.230 0.000 0.823 513 L CB 1.830 43.981 42.059 0.152 0.000 1.236 513 L HN 0.812 nan 8.230 nan 0.000 0.415 514 Q N 3.917 123.772 119.800 0.092 0.000 2.306 514 Q HA 0.563 4.942 4.340 0.064 0.000 0.265 514 Q C -1.683 174.123 176.000 -0.324 0.000 1.022 514 Q CA -0.481 55.295 55.803 -0.045 0.000 0.853 514 Q CB 2.512 31.228 28.738 -0.037 0.000 1.327 514 Q HN 0.561 nan 8.270 nan 0.000 0.449 515 F N 1.732 121.633 119.950 -0.081 0.000 2.499 515 F HA 0.422 4.985 4.527 0.059 0.000 0.333 515 F C -0.833 174.923 175.800 -0.072 0.000 1.138 515 F CA -0.565 57.435 58.000 0.001 0.000 0.945 515 F CB 0.894 39.919 39.000 0.041 0.000 1.181 515 F HN 0.403 nan 8.300 nan 0.000 0.435 516 F N 4.550 124.631 119.950 0.217 0.000 2.410 516 F HA 0.599 5.162 4.527 0.061 0.000 0.349 516 F C -0.355 175.559 175.800 0.189 0.000 1.117 516 F CA -0.783 57.329 58.000 0.186 0.000 1.104 516 F CB 1.370 40.436 39.000 0.110 0.000 1.122 516 F HN 0.219 nan 8.300 nan 0.000 0.483 517 L N 3.140 124.583 121.223 0.367 0.000 2.401 517 L HA 0.855 5.234 4.340 0.064 0.000 0.266 517 L C -0.863 176.191 176.870 0.307 0.000 0.991 517 L CA -0.767 54.237 54.840 0.274 0.000 0.818 517 L CB 1.780 43.986 42.059 0.245 0.000 1.321 517 L HN 0.626 nan 8.230 nan 0.000 0.413 518 A N 5.333 128.270 122.820 0.194 0.000 2.309 518 A HA 0.856 5.215 4.320 0.064 0.000 0.298 518 A C -2.523 175.156 177.584 0.157 0.000 1.165 518 A CA -1.300 50.833 52.037 0.161 0.000 0.821 518 A CB -0.102 18.944 19.000 0.077 0.000 1.102 518 A HN 0.619 nan 8.150 nan 0.000 0.500 519 P HA 0.370 nan 4.420 nan 0.000 0.277 519 P C -0.335 176.748 177.300 -0.362 0.000 1.276 519 P CA -0.303 62.588 63.100 -0.348 0.000 0.788 519 P CB 0.574 31.988 31.700 -0.476 0.000 1.114 520 K N -0.707 119.393 120.400 -0.500 0.000 2.312 520 K HA 0.634 4.992 4.320 0.064 0.000 0.236 520 K C -0.975 175.217 176.600 -0.680 0.000 1.079 520 K CA -0.540 55.528 56.287 -0.365 0.000 0.900 520 K CB 0.939 33.371 32.500 -0.114 0.000 1.297 520 K HN 0.250 nan 8.250 nan 0.000 0.498 521 F N 1.168 121.101 119.950 -0.028 0.000 2.610 521 F HA 0.375 4.909 4.527 0.013 0.000 0.355 521 F C -0.221 175.570 175.800 -0.014 0.000 1.140 521 F CA -0.923 57.061 58.000 -0.026 0.000 1.037 521 F CB 1.204 40.194 39.000 -0.016 0.000 1.287 521 F HN 0.313 nan 8.300 nan 0.000 0.457 537 E N 4.295 124.260 120.200 -0.392 0.000 2.373 537 E HA 0.773 5.161 4.350 0.064 0.000 0.251 537 E C -1.495 174.817 176.600 -0.480 0.000 0.923 537 E CA -0.403 55.792 56.400 -0.341 0.000 0.798 537 E CB 1.470 31.028 29.700 -0.237 0.000 1.303 537 E HN 0.796 nan 8.360 nan 0.000 0.412 538 A N 5.120 127.652 122.820 -0.481 0.000 2.285 538 A HA 0.380 4.738 4.320 0.064 0.000 0.310 538 A C -0.631 176.738 177.584 -0.359 0.000 1.266 538 A CA -0.716 50.964 52.037 -0.595 0.000 0.832 538 A CB 0.737 19.252 19.000 -0.808 0.000 1.163 538 A HN 0.479 nan 8.150 nan 0.000 0.499 539 K N 3.547 123.820 120.400 -0.210 0.000 2.281 539 K HA 0.494 4.853 4.320 0.064 0.000 0.272 539 K C -1.406 175.221 176.600 0.045 0.000 1.048 539 K CA -0.384 55.870 56.287 -0.056 0.000 0.898 539 K CB 0.291 32.777 32.500 -0.024 0.000 1.128 539 K HN 0.490 nan 8.250 nan 0.000 0.460 540 F N 2.833 122.877 119.950 0.157 0.000 2.443 540 F HA 0.022 4.588 4.527 0.064 0.000 0.353 540 F C 1.730 177.568 175.800 0.063 0.000 1.101 540 F CA -0.146 57.922 58.000 0.113 0.000 1.226 540 F CB 1.070 40.095 39.000 0.041 0.000 1.140 540 F HN 0.721 nan 8.300 nan 0.000 0.557 541 E N 1.437 121.775 120.200 0.228 0.000 2.023 541 E HA -0.170 4.219 4.350 0.064 0.000 0.196 541 E C -0.158 176.524 176.600 0.136 0.000 1.003 541 E CA 1.665 58.150 56.400 0.141 0.000 0.809 541 E CB 0.062 29.821 29.700 0.098 0.000 0.755 541 E HN 0.436 nan 8.360 nan 0.000 0.449 542 E N -0.766 119.518 120.200 0.140 0.000 2.191 542 E HA 0.358 4.746 4.350 0.064 0.000 0.263 542 E C 0.138 176.788 176.600 0.084 0.000 0.881 542 E CA 0.158 56.617 56.400 0.098 0.000 0.757 542 E CB 1.593 31.329 29.700 0.061 0.000 1.147 542 E HN 0.277 nan 8.360 nan 0.000 0.414 543 A N 2.875 125.750 122.820 0.092 0.000 1.978 543 A HA -0.232 4.126 4.320 0.064 0.000 0.220 543 A C 2.076 179.659 177.584 -0.002 0.000 1.170 543 A CA 2.248 54.323 52.037 0.062 0.000 0.636 543 A CB -0.457 18.668 19.000 0.209 0.000 0.810 543 A HN 0.609 nan 8.150 nan 0.000 0.448 544 S N -0.091 115.615 115.700 0.010 0.000 2.402 544 S HA -0.214 4.294 4.470 0.064 0.000 0.233 544 S C 1.806 176.366 174.600 -0.066 0.000 1.030 544 S CA 1.492 59.678 58.200 -0.024 0.000 1.003 544 S CB -0.722 62.471 63.200 -0.012 0.000 0.813 544 S HN 0.598 nan 8.310 nan 0.000 0.477 545 L N 0.790 121.969 121.223 -0.072 0.000 1.989 545 L HA 0.051 4.430 4.340 0.064 0.000 0.211 545 L C 2.130 178.910 176.870 -0.150 0.000 1.071 545 L CA 1.913 56.702 54.840 -0.085 0.000 0.749 545 L CB -1.300 40.737 42.059 -0.037 0.000 0.890 545 L HN 0.325 nan 8.230 nan 0.000 0.431 546 F N 0.279 119.897 119.950 -0.553 0.000 2.293 546 F HA -0.130 4.435 4.527 0.064 0.000 0.300 546 F C 2.425 178.047 175.800 -0.296 0.000 1.086 546 F CA 1.577 59.216 58.000 -0.602 0.000 1.375 546 F CB -0.401 37.906 39.000 -1.156 0.000 1.045 546 F HN 0.146 nan 8.300 nan 0.000 0.516 547 K N 1.525 121.765 120.400 -0.267 0.000 2.025 547 K HA -0.176 4.182 4.320 0.064 0.000 0.207 547 K C 2.213 178.663 176.600 -0.251 0.000 1.049 547 K CA 1.752 57.882 56.287 -0.263 0.000 0.933 547 K CB -0.302 32.121 32.500 -0.128 0.000 0.714 547 K HN 0.414 nan 8.250 nan 0.000 0.438 548 R N 0.058 120.453 120.500 -0.174 0.000 2.189 548 R HA 0.019 4.398 4.340 0.064 0.000 0.218 548 R C 2.416 178.641 176.300 -0.125 0.000 1.074 548 R CA 0.939 56.959 56.100 -0.133 0.000 0.991 548 R CB -0.565 29.684 30.300 -0.085 0.000 0.883 548 R HN 0.146 nan 8.270 nan 0.000 0.457 549 I N 1.326 121.813 120.570 -0.138 0.000 2.142 549 I HA -0.241 3.967 4.170 0.064 0.000 0.240 549 I C 2.162 178.235 176.117 -0.074 0.000 1.078 549 I CA 1.110 62.389 61.300 -0.035 0.000 1.343 549 I CB -0.234 37.777 38.000 0.018 0.000 1.046 549 I HN 0.093 nan 8.210 nan 0.000 0.405 550 I N 0.626 120.972 120.570 -0.374 0.000 2.361 550 I HA -0.255 3.953 4.170 0.064 0.000 0.251 550 I C 1.894 177.703 176.117 -0.513 0.000 1.133 550 I CA 1.571 62.517 61.300 -0.591 0.000 1.413 550 I CB -1.393 36.223 38.000 -0.639 0.000 1.073 550 I HN 0.251 nan 8.210 nan 0.000 0.424 551 D N 0.983 121.197 120.400 -0.311 0.000 2.310 551 D HA -0.067 4.611 4.640 0.064 0.000 0.212 551 D C 2.248 178.462 176.300 -0.143 0.000 0.965 551 D CA 1.069 54.939 54.000 -0.216 0.000 0.879 551 D CB -0.277 40.424 40.800 -0.166 0.000 0.921 551 D HN 0.369 nan 8.370 nan 0.000 0.510 552 G N -0.054 108.701 108.800 -0.074 0.000 2.484 552 G HA2 -0.113 3.885 3.960 0.064 0.000 0.218 552 G HA3 -0.113 3.885 3.960 0.064 0.000 0.218 552 G C 0.823 175.907 174.900 0.307 0.000 1.130 552 G CA 0.484 45.633 45.100 0.083 0.000 0.784 552 G HN 0.413 nan 8.290 nan 0.000 0.543 553 F N -1.037 118.966 119.950 0.089 0.000 2.944 553 F HA 0.363 4.929 4.527 0.064 0.000 0.332 553 F C 1.516 177.370 175.800 0.090 0.000 1.215 553 F CA -0.563 57.536 58.000 0.165 0.000 1.079 553 F CB -0.175 38.923 39.000 0.164 0.000 1.272 553 F HN 0.092 nan 8.300 nan 0.000 0.509 554 K N 0.346 120.551 120.400 -0.324 0.000 2.365 554 K HA -0.020 4.338 4.320 0.064 0.000 0.199 554 K C -0.028 176.529 176.600 -0.071 0.000 1.045 554 K CA 1.989 58.119 56.287 -0.260 0.000 0.962 554 K CB -0.410 31.924 32.500 -0.276 0.000 0.759 554 K HN 0.307 nan 8.250 nan 0.000 0.469 555 D N 0.328 120.720 120.400 -0.014 0.000 2.305 555 D HA 0.017 4.696 4.640 0.064 0.000 0.206 555 D C 1.315 177.662 176.300 0.077 0.000 0.974 555 D CA 0.457 54.464 54.000 0.013 0.000 0.871 555 D CB 0.186 40.980 40.800 -0.011 0.000 0.947 555 D HN 0.263 nan 8.370 nan 0.000 0.516 556 C N 0.316 119.714 119.300 0.162 0.000 2.522 556 C HA 0.169 4.667 4.460 0.064 0.000 0.280 556 C C 1.024 176.138 174.990 0.206 0.000 1.303 556 C CA -0.318 58.839 59.018 0.232 0.000 1.709 556 C CB -0.347 27.619 27.740 0.377 0.000 2.071 556 C HN 0.210 nan 8.230 nan 0.000 0.492 557 V N -0.713 119.326 119.914 0.208 0.000 2.656 557 V HA 0.437 4.596 4.120 0.064 0.000 0.307 557 V C 0.090 176.253 176.094 0.116 0.000 1.051 557 V CA -0.371 62.031 62.300 0.169 0.000 0.893 557 V CB 1.648 33.592 31.823 0.202 0.000 0.999 557 V HN 0.382 nan 8.190 nan 0.000 0.426 558 Q N 2.904 122.758 119.800 0.089 0.000 2.165 558 Q HA 0.334 4.713 4.340 0.064 0.000 0.197 558 Q C -0.082 175.963 176.000 0.075 0.000 0.952 558 Q CA 0.765 56.606 55.803 0.062 0.000 0.848 558 Q CB 0.310 29.078 28.738 0.051 0.000 0.931 558 Q HN 0.800 nan 8.270 nan 0.000 0.470 559 L N 1.066 122.342 121.223 0.087 0.000 2.341 559 L HA 0.607 4.985 4.340 0.064 0.000 0.278 559 L C -1.074 175.856 176.870 0.099 0.000 1.005 559 L CA -0.865 54.032 54.840 0.095 0.000 0.818 559 L CB 2.270 44.375 42.059 0.077 0.000 1.259 559 L HN -0.121 nan 8.230 nan 0.000 0.418 560 V N 3.049 123.032 119.914 0.115 0.000 2.891 560 V HA 0.454 4.613 4.120 0.064 0.000 0.304 560 V C -1.126 174.986 176.094 0.030 0.000 1.171 560 V CA -0.609 61.718 62.300 0.045 0.000 0.943 560 V CB 2.513 34.350 31.823 0.024 0.000 1.037 560 V HN 0.752 nan 8.190 nan 0.000 0.427 561 N N 4.345 123.023 118.700 -0.037 0.000 2.514 561 N HA 0.399 5.177 4.740 0.064 0.000 0.277 561 N C -1.096 174.339 175.510 -0.124 0.000 1.126 561 N CA 0.235 53.291 53.050 0.011 0.000 0.978 561 N CB 1.036 39.533 38.487 0.016 0.000 1.106 561 N HN 0.592 nan 8.380 nan 0.000 0.461 562 F N 1.509 121.525 119.950 0.110 0.000 2.300 562 F HA 0.211 4.776 4.527 0.064 0.000 0.364 562 F C 0.637 176.491 175.800 0.090 0.000 1.090 562 F CA -0.703 57.372 58.000 0.124 0.000 1.200 562 F CB 0.576 39.681 39.000 0.176 0.000 1.493 562 F HN 0.131 nan 8.300 nan 0.000 0.518 563 Q N 2.578 122.465 119.800 0.146 0.000 2.281 563 Q HA 0.260 4.638 4.340 0.064 0.000 0.267 563 Q C -0.719 175.359 176.000 0.129 0.000 1.053 563 Q CA -0.167 55.699 55.803 0.105 0.000 0.905 563 Q CB 0.765 29.528 28.738 0.042 0.000 1.195 563 Q HN 0.493 nan 8.270 nan 0.000 0.398 564 C N 4.321 123.693 119.300 0.120 0.000 2.281 564 C HA 0.534 5.032 4.460 0.064 0.000 0.325 564 C C 0.132 175.174 174.990 0.087 0.000 1.282 564 C CA -0.969 58.126 59.018 0.128 0.000 1.640 564 C CB 0.186 27.988 27.740 0.103 0.000 2.288 564 C HN 0.707 nan 8.230 nan 0.000 0.507 565 K N 1.944 122.410 120.400 0.110 0.000 2.261 565 K HA 0.379 4.737 4.320 0.064 0.000 0.242 565 K C 0.540 177.225 176.600 0.142 0.000 1.083 565 K CA -0.675 55.655 56.287 0.071 0.000 0.880 565 K CB 0.642 33.162 32.500 0.033 0.000 1.353 565 K HN 0.413 nan 8.250 nan 0.000 0.486 566 E N 1.022 121.275 120.200 0.088 0.000 2.338 566 E HA -0.153 4.235 4.350 0.064 0.000 0.197 566 E C 0.417 177.083 176.600 0.109 0.000 1.007 566 E CA 1.281 57.757 56.400 0.126 0.000 0.849 566 E CB -0.044 29.685 29.700 0.048 0.000 0.774 566 E HN 0.504 nan 8.360 nan 0.000 0.506 567 D N -1.417 119.000 120.400 0.028 0.000 2.398 567 D HA 0.241 4.919 4.640 0.064 0.000 0.210 567 D C 0.842 177.055 176.300 -0.145 0.000 1.094 567 D CA 0.367 54.338 54.000 -0.049 0.000 0.839 567 D CB 0.412 41.200 40.800 -0.019 0.000 0.963 567 D HN 0.085 nan 8.370 nan 0.000 0.506 568 G N -0.292 108.385 108.800 -0.204 0.000 2.346 568 G HA2 0.117 4.115 3.960 0.064 0.000 0.294 568 G HA3 0.117 4.115 3.960 0.064 0.000 0.294 568 G C -1.662 173.240 174.900 0.004 0.000 1.294 568 G CA -0.840 44.096 45.100 -0.273 0.000 0.962 568 G HN 0.129 nan 8.290 nan 0.000 0.508 569 I N 0.970 121.607 120.570 0.112 0.000 2.354 569 I HA 0.589 4.798 4.170 0.064 0.000 0.292 569 I C 0.142 176.338 176.117 0.132 0.000 0.989 569 I CA -0.800 60.625 61.300 0.207 0.000 1.188 569 I CB 1.389 39.612 38.000 0.373 0.000 1.342 569 I HN 0.676 nan 8.210 nan 0.000 0.457 570 I N 3.606 124.228 120.570 0.087 0.000 2.892 570 I HA 0.985 5.194 4.170 0.064 0.000 0.306 570 I C -0.678 175.399 176.117 -0.067 0.000 1.078 570 I CA -0.667 60.619 61.300 -0.022 0.000 1.032 570 I CB 2.274 40.245 38.000 -0.048 0.000 1.229 570 I HN 0.536 nan 8.210 nan 0.000 0.435 571 A N 3.063 125.771 122.820 -0.186 0.000 2.465 571 A HA 0.818 5.176 4.320 0.064 0.000 0.292 571 A C -1.292 176.133 177.584 -0.265 0.000 1.041 571 A CA -0.523 51.334 52.037 -0.301 0.000 0.718 571 A CB 1.399 20.033 19.000 -0.610 0.000 1.266 571 A HN 0.701 nan 8.150 nan 0.000 0.403 572 Q N 0.313 120.000 119.800 -0.188 0.000 2.312 572 Q HA 0.816 5.194 4.340 0.064 0.000 0.263 572 Q C -0.450 175.482 176.000 -0.114 0.000 0.995 572 Q CA 0.097 55.815 55.803 -0.142 0.000 0.853 572 Q CB 2.283 30.963 28.738 -0.095 0.000 1.300 572 Q HN 1.394 nan 8.270 nan 0.000 0.448 573 A N 1.453 124.222 122.820 -0.086 0.000 2.517 573 A HA 0.747 5.105 4.320 0.064 0.000 0.297 573 A C -1.494 176.104 177.584 0.023 0.000 1.050 573 A CA -0.575 51.449 52.037 -0.022 0.000 0.694 573 A CB 1.397 20.396 19.000 -0.002 0.000 1.277 573 A HN 0.436 nan 8.150 nan 0.000 0.400 574 V N 3.238 123.181 119.914 0.048 0.000 2.487 574 V HA 0.412 4.571 4.120 0.064 0.000 0.298 574 V C -0.492 175.653 176.094 0.086 0.000 1.028 574 V CA -0.751 61.591 62.300 0.069 0.000 0.860 574 V CB 1.753 33.612 31.823 0.060 0.000 0.991 574 V HN 1.063 nan 8.190 nan 0.000 0.427 575 D N 2.494 122.960 120.400 0.110 0.000 2.361 575 D HA 0.016 4.694 4.640 0.064 0.000 0.239 575 D C 0.657 177.019 176.300 0.104 0.000 1.200 575 D CA -0.377 53.697 54.000 0.123 0.000 0.915 575 D CB 0.707 41.610 40.800 0.171 0.000 1.170 575 D HN 0.405 nan 8.370 nan 0.000 0.444 576 D N -0.338 120.123 120.400 0.101 0.000 2.133 576 D HA -0.189 4.489 4.640 0.064 0.000 0.195 576 D C 1.990 178.343 176.300 0.089 0.000 0.997 576 D CA 2.239 56.290 54.000 0.084 0.000 0.840 576 D CB -0.539 40.307 40.800 0.076 0.000 0.947 576 D HN 0.554 nan 8.370 nan 0.000 0.452 577 S N -0.232 115.539 115.700 0.119 0.000 2.469 577 S HA -0.145 4.363 4.470 0.064 0.000 0.238 577 S C 1.159 175.807 174.600 0.081 0.000 0.998 577 S CA 0.548 58.823 58.200 0.125 0.000 0.957 577 S CB 0.032 63.365 63.200 0.223 0.000 0.764 577 S HN 0.098 nan 8.310 nan 0.000 0.514 578 R N -0.944 119.597 120.500 0.069 0.000 3.954 578 R HA -0.135 4.243 4.340 0.064 0.000 0.422 578 R C 1.182 177.496 176.300 0.024 0.000 1.091 578 R CA 1.009 57.139 56.100 0.050 0.000 1.168 578 R CB -2.785 27.544 30.300 0.049 0.000 1.752 578 R HN 0.754 nan 8.270 nan 0.000 0.547 579 V N -1.480 118.416 119.914 -0.029 0.000 2.878 579 V HA 0.217 4.376 4.120 0.064 0.000 0.250 579 V C 0.822 176.853 176.094 -0.106 0.000 1.075 579 V CA 0.982 63.216 62.300 -0.111 0.000 1.096 579 V CB 0.133 31.779 31.823 -0.294 0.000 0.724 579 V HN 0.091 nan 8.190 nan 0.000 0.467 580 L N 1.700 122.879 121.223 -0.073 0.000 2.322 580 L HA 0.730 5.109 4.340 0.064 0.000 0.281 580 L C -0.899 176.048 176.870 0.127 0.000 1.014 580 L CA -0.866 53.999 54.840 0.043 0.000 0.815 580 L CB 1.546 43.645 42.059 0.066 0.000 1.247 580 L HN 0.325 nan 8.230 nan 0.000 0.421 581 L N 6.403 127.741 121.223 0.191 0.000 2.305 581 L HA 0.659 5.038 4.340 0.064 0.000 0.284 581 L C -1.222 175.752 176.870 0.173 0.000 1.013 581 L CA -0.289 54.649 54.840 0.164 0.000 0.819 581 L CB 1.751 43.894 42.059 0.139 0.000 1.227 581 L HN 0.373 nan 8.230 nan 0.000 0.417 582 V N 4.103 124.036 119.914 0.031 0.000 2.347 582 V HA 0.517 4.676 4.120 0.064 0.000 0.280 582 V C 0.129 176.082 176.094 -0.234 0.000 1.021 582 V CA -0.376 61.808 62.300 -0.194 0.000 0.847 582 V CB 1.185 32.852 31.823 -0.261 0.000 0.990 582 V HN 0.846 nan 8.190 nan 0.000 0.444 583 S N 5.507 121.088 115.700 -0.199 0.000 2.566 583 S HA 0.689 5.197 4.470 0.064 0.000 0.324 583 S C -0.888 173.567 174.600 -0.240 0.000 1.081 583 S CA -0.476 57.657 58.200 -0.111 0.000 1.105 583 S CB 0.794 64.098 63.200 0.174 0.000 0.981 583 S HN 0.596 nan 8.310 nan 0.000 0.464 584 L N 4.181 125.173 121.223 -0.384 0.000 2.331 584 L HA 0.790 5.169 4.340 0.064 0.000 0.275 584 L C -0.556 176.030 176.870 -0.472 0.000 1.022 584 L CA 0.077 54.645 54.840 -0.453 0.000 0.812 584 L CB 1.558 43.340 42.059 -0.461 0.000 1.257 584 L HN 0.666 nan 8.230 nan 0.000 0.435 585 E N 4.938 124.754 120.200 -0.640 0.000 2.307 585 E HA 0.327 4.715 4.350 0.064 0.000 0.280 585 E C -1.922 174.470 176.600 -0.346 0.000 0.900 585 E CA -0.289 55.765 56.400 -0.576 0.000 0.790 585 E CB 1.408 30.498 29.700 -1.017 0.000 1.261 585 E HN 0.680 nan 8.360 nan 0.000 0.405 586 I N 3.419 123.923 120.570 -0.109 0.000 2.420 586 I HA 0.364 4.572 4.170 0.064 0.000 0.282 586 I C 0.857 176.963 176.117 -0.017 0.000 1.019 586 I CA -0.861 60.415 61.300 -0.040 0.000 1.130 586 I CB 1.697 39.747 38.000 0.084 0.000 1.262 586 I HN 0.468 nan 8.210 nan 0.000 0.454 587 G N 3.874 112.638 108.800 -0.061 0.000 2.606 587 G HA2 0.308 4.306 3.960 0.064 0.000 0.252 587 G HA3 0.308 4.306 3.960 0.064 0.000 0.252 587 G C 1.012 175.896 174.900 -0.028 0.000 1.206 587 G CA -0.489 44.582 45.100 -0.048 0.000 0.861 587 G HN 0.405 nan 8.290 nan 0.000 0.561 588 V N 0.685 120.546 119.914 -0.088 0.000 2.392 588 V HA -0.127 4.032 4.120 0.064 0.000 0.249 588 V C 2.511 178.648 176.094 0.073 0.000 1.059 588 V CA 1.816 64.071 62.300 -0.075 0.000 1.051 588 V CB -0.373 31.354 31.823 -0.160 0.000 0.658 588 V HN 0.651 nan 8.190 nan 0.000 0.455 589 E N 0.154 120.359 120.200 0.009 0.000 2.515 589 E HA -0.055 4.333 4.350 0.064 0.000 0.201 589 E C 1.968 178.555 176.600 -0.022 0.000 1.071 589 E CA 0.997 57.402 56.400 0.008 0.000 0.880 589 E CB -0.119 29.582 29.700 0.001 0.000 0.828 589 E HN 0.630 nan 8.360 nan 0.000 0.540 590 A N -0.128 122.632 122.820 -0.100 0.000 2.267 590 A HA 0.171 4.529 4.320 0.064 0.000 0.213 590 A C 0.485 177.852 177.584 -0.361 0.000 1.192 590 A CA -0.128 51.768 52.037 -0.235 0.000 0.851 590 A CB 0.116 18.914 19.000 -0.337 0.000 0.881 590 A HN -0.006 nan 8.150 nan 0.000 0.494 591 F N -1.009 118.888 119.950 -0.087 0.000 2.432 591 F HA 0.369 4.934 4.527 0.064 0.000 0.329 591 F C 1.478 177.249 175.800 -0.049 0.000 1.076 591 F CA -0.563 57.362 58.000 -0.126 0.000 1.018 591 F CB 1.285 40.175 39.000 -0.183 0.000 1.201 591 F HN 0.139 nan 8.300 nan 0.000 0.489 592 Q N 0.554 120.449 119.800 0.158 0.000 2.311 592 Q HA -0.014 4.364 4.340 0.064 0.000 0.203 592 Q C -0.194 175.857 176.000 0.086 0.000 0.954 592 Q CA 1.089 56.951 55.803 0.099 0.000 0.885 592 Q CB 0.424 29.211 28.738 0.082 0.000 0.963 592 Q HN 0.742 nan 8.270 nan 0.000 0.471 593 E N -1.173 119.087 120.200 0.099 0.000 2.378 593 E HA 0.221 4.610 4.350 0.064 0.000 0.283 593 E C -2.207 174.396 176.600 0.005 0.000 0.979 593 E CA -0.675 55.750 56.400 0.041 0.000 0.795 593 E CB 1.339 31.034 29.700 -0.009 0.000 1.221 593 E HN 0.129 nan 8.360 nan 0.000 0.428 594 Y N 2.878 123.064 120.300 -0.189 0.000 2.441 594 Y HA 0.502 5.090 4.550 0.064 0.000 0.334 594 Y C -1.559 174.204 175.900 -0.228 0.000 1.061 594 Y CA -0.618 57.280 58.100 -0.337 0.000 1.032 594 Y CB 1.682 39.893 38.460 -0.414 0.000 1.266 594 Y HN 0.608 nan 8.280 nan 0.000 0.441 595 R N 4.759 124.838 120.500 -0.700 0.000 2.621 595 R HA 0.794 5.172 4.340 0.064 0.000 0.284 595 R C -2.222 173.742 176.300 -0.561 0.000 0.998 595 R CA -0.471 55.365 56.100 -0.439 0.000 0.895 595 R CB 1.597 31.730 30.300 -0.279 0.000 1.195 595 R HN 0.796 nan 8.270 nan 0.000 0.450 596 C N 4.234 123.360 119.300 -0.291 0.000 2.919 596 C HA 0.257 4.755 4.460 0.064 0.000 0.337 596 C C 0.117 175.058 174.990 -0.083 0.000 1.039 596 C CA -0.703 58.195 59.018 -0.199 0.000 1.373 596 C CB 0.725 28.390 27.740 -0.124 0.000 1.843 596 C HN 0.925 nan 8.230 nan 0.000 0.493 597 D N 0.487 120.852 120.400 -0.059 0.000 2.234 597 D HA 0.044 4.723 4.640 0.064 0.000 0.205 597 D C 0.377 176.719 176.300 0.071 0.000 0.962 597 D CA 1.407 55.406 54.000 -0.002 0.000 0.855 597 D CB 0.160 40.958 40.800 -0.003 0.000 0.951 597 D HN 0.741 nan 8.370 nan 0.000 0.500 598 H N -1.203 117.835 119.070 -0.053 0.000 2.947 598 H HA 0.315 4.910 4.556 0.064 0.000 0.354 598 H C -2.606 172.705 175.328 -0.028 0.000 1.085 598 H CA -1.685 54.343 56.048 -0.033 0.000 1.253 598 H CB 1.860 31.604 29.762 -0.030 0.000 1.757 598 H HN -0.300 nan 8.280 nan 0.000 0.523 599 P HA 0.025 nan 4.420 nan 0.000 0.260 599 P C -0.857 176.438 177.300 -0.008 0.000 1.207 599 P CA 0.022 63.047 63.100 -0.125 0.000 0.780 599 P CB 0.241 31.831 31.700 -0.183 0.000 0.789 600 V N 1.298 121.234 119.914 0.037 0.000 2.769 600 V HA 0.757 4.916 4.120 0.064 0.000 0.312 600 V C -0.187 175.949 176.094 0.070 0.000 1.058 600 V CA -0.509 61.832 62.300 0.068 0.000 0.952 600 V CB 2.179 34.036 31.823 0.058 0.000 1.019 600 V HN 0.307 nan 8.190 nan 0.000 0.445 601 T N 5.491 120.093 114.554 0.080 0.000 2.809 601 T HA 0.601 4.990 4.350 0.064 0.000 0.284 601 T C -0.796 173.975 174.700 0.118 0.000 0.992 601 T CA -0.300 61.859 62.100 0.098 0.000 0.957 601 T CB 1.094 70.008 68.868 0.077 0.000 0.942 601 T HN 0.548 nan 8.240 nan 0.000 0.439 602 L N 3.727 125.054 121.223 0.173 0.000 2.335 602 L HA 0.435 4.813 4.340 0.064 0.000 0.268 602 L C 1.025 178.045 176.870 0.251 0.000 1.037 602 L CA -0.399 54.553 54.840 0.186 0.000 0.895 602 L CB 0.271 42.433 42.059 0.173 0.000 1.266 602 L HN 0.808 nan 8.230 nan 0.000 0.439 603 G N 4.619 113.525 108.800 0.177 0.000 2.360 603 G HA2 0.505 4.503 3.960 0.064 0.000 0.279 603 G HA3 0.505 4.503 3.960 0.064 0.000 0.279 603 G C -0.027 174.982 174.900 0.182 0.000 1.189 603 G CA -0.288 44.917 45.100 0.174 0.000 0.941 603 G HN 0.487 nan 8.290 nan 0.000 0.445 604 M N 1.810 121.554 119.600 0.240 0.000 2.572 604 M HA 0.271 4.789 4.480 0.064 0.000 0.299 604 M C -1.298 175.104 176.300 0.170 0.000 1.205 604 M CA -0.997 54.424 55.300 0.201 0.000 0.876 604 M CB 2.758 35.497 32.600 0.230 0.000 1.728 604 M HN 0.355 nan 8.290 nan 0.000 0.458 605 D N 2.005 122.473 120.400 0.113 0.000 2.380 605 D HA 0.290 4.968 4.640 0.064 0.000 0.230 605 D C 0.787 177.124 176.300 0.062 0.000 1.154 605 D CA -0.124 53.925 54.000 0.082 0.000 0.859 605 D CB 0.773 41.607 40.800 0.056 0.000 1.045 605 D HN 0.583 nan 8.370 nan 0.000 0.495 606 L N 2.502 123.760 121.223 0.057 0.000 2.081 606 L HA -0.202 4.177 4.340 0.064 0.000 0.212 606 L C 2.134 178.977 176.870 -0.044 0.000 1.080 606 L CA 1.106 55.943 54.840 -0.006 0.000 0.754 606 L CB -0.582 41.440 42.059 -0.062 0.000 0.893 606 L HN 0.412 nan 8.230 nan 0.000 0.433 607 T N -0.958 113.581 114.554 -0.025 0.000 2.759 607 T HA -0.163 4.225 4.350 0.064 0.000 0.269 607 T C 2.139 176.820 174.700 -0.030 0.000 1.042 607 T CA 1.694 63.774 62.100 -0.034 0.000 1.140 607 T CB -0.096 68.761 68.868 -0.018 0.000 0.864 607 T HN 0.325 nan 8.240 nan 0.000 0.455 608 S N 1.190 116.885 115.700 -0.009 0.000 2.371 608 S HA 0.057 4.566 4.470 0.064 0.000 0.224 608 S C 1.900 176.493 174.600 -0.011 0.000 1.029 608 S CA 0.420 58.619 58.200 -0.001 0.000 0.978 608 S CB -0.434 62.779 63.200 0.023 0.000 0.833 608 S HN 0.272 nan 8.310 nan 0.000 0.466 609 L N 1.695 122.911 121.223 -0.011 0.000 2.191 609 L HA -0.010 4.368 4.340 0.064 0.000 0.212 609 L C 2.317 179.145 176.870 -0.071 0.000 1.103 609 L CA 1.396 56.222 54.840 -0.023 0.000 0.769 609 L CB -0.747 41.296 42.059 -0.028 0.000 0.908 609 L HN 0.266 nan 8.230 nan 0.000 0.438 610 S N -0.609 115.034 115.700 -0.094 0.000 2.338 610 S HA -0.214 4.294 4.470 0.064 0.000 0.218 610 S C 2.056 176.590 174.600 -0.110 0.000 1.032 610 S CA 1.486 59.614 58.200 -0.121 0.000 0.999 610 S CB -0.175 62.952 63.200 -0.122 0.000 0.905 610 S HN 0.524 nan 8.310 nan 0.000 0.439 611 K N 0.476 120.821 120.400 -0.090 0.000 2.089 611 K HA -0.136 4.222 4.320 0.064 0.000 0.210 611 K C 1.994 178.510 176.600 -0.140 0.000 1.048 611 K CA 1.935 58.165 56.287 -0.096 0.000 0.926 611 K CB -0.414 32.049 32.500 -0.062 0.000 0.714 611 K HN 0.480 nan 8.250 nan 0.000 0.448 612 I N 0.250 120.741 120.570 -0.132 0.000 2.406 612 I HA -0.204 4.004 4.170 0.064 0.000 0.249 612 I C 1.771 177.751 176.117 -0.229 0.000 1.122 612 I CA 0.575 61.735 61.300 -0.233 0.000 1.431 612 I CB -0.055 37.885 38.000 -0.099 0.000 1.087 612 I HN 0.049 nan 8.210 nan 0.000 0.424 613 L N 0.548 121.722 121.223 -0.082 0.000 2.291 613 L HA -0.056 4.322 4.340 0.064 0.000 0.214 613 L C 2.431 179.229 176.870 -0.121 0.000 1.120 613 L CA 1.484 56.333 54.840 0.015 0.000 0.799 613 L CB -0.742 41.300 42.059 -0.028 0.000 0.925 613 L HN 0.113 nan 8.230 nan 0.000 0.446 614 R N -2.207 118.181 120.500 -0.186 0.000 2.153 614 R HA -0.058 4.320 4.340 0.064 0.000 0.218 614 R C 2.303 178.441 176.300 -0.270 0.000 1.072 614 R CA 1.138 57.121 56.100 -0.194 0.000 0.990 614 R CB -0.678 29.526 30.300 -0.159 0.000 0.889 614 R HN 0.346 nan 8.270 nan 0.000 0.452 615 C N 0.509 119.578 119.300 -0.385 0.000 2.442 615 C HA 0.013 4.511 4.460 0.064 0.000 0.279 615 C C 1.831 176.490 174.990 -0.552 0.000 1.237 615 C CA 0.339 59.095 59.018 -0.436 0.000 1.722 615 C CB -1.328 26.090 27.740 -0.537 0.000 2.056 615 C HN 0.550 nan 8.230 nan 0.000 0.469 616 G N 1.315 109.469 108.800 -1.078 0.000 2.554 616 G HA2 0.233 4.231 3.960 0.064 0.000 0.238 616 G HA3 0.233 4.231 3.960 0.064 0.000 0.238 616 G C -0.317 174.301 174.900 -0.470 0.000 1.259 616 G CA -0.141 44.214 45.100 -1.241 0.000 0.843 616 G HN 0.493 nan 8.290 nan 0.000 0.582 617 N N 0.658 119.232 118.700 -0.211 0.000 2.479 617 N HA 0.004 4.782 4.740 0.064 0.000 0.257 617 N C 1.254 176.773 175.510 0.014 0.000 1.232 617 N CA -0.460 52.548 53.050 -0.071 0.000 0.920 617 N CB 0.790 39.261 38.487 -0.026 0.000 1.105 617 N HN 0.417 nan 8.380 nan 0.000 0.444 618 N N 0.185 118.884 118.700 -0.002 0.000 2.364 618 N HA -0.121 4.657 4.740 0.064 0.000 0.183 618 N C 1.449 176.986 175.510 0.045 0.000 1.022 618 N CA 1.183 54.246 53.050 0.021 0.000 0.883 618 N CB -0.164 38.318 38.487 -0.008 0.000 0.965 618 N HN 0.676 nan 8.380 nan 0.000 0.438 619 T N -2.922 111.658 114.554 0.043 0.000 3.051 619 T HA 0.072 4.460 4.350 0.064 0.000 0.255 619 T C 0.540 175.286 174.700 0.078 0.000 1.085 619 T CA -0.219 61.911 62.100 0.049 0.000 1.109 619 T CB 0.058 68.943 68.868 0.029 0.000 0.921 619 T HN -0.146 nan 8.240 nan 0.000 0.488 620 D N 2.437 122.902 120.400 0.109 0.000 2.390 620 D HA 0.161 4.839 4.640 0.064 0.000 0.236 620 D C -0.035 176.365 176.300 0.167 0.000 1.189 620 D CA 0.548 54.641 54.000 0.155 0.000 0.887 620 D CB 0.565 41.511 40.800 0.242 0.000 1.198 620 D HN 0.100 nan 8.370 nan 0.000 0.444 621 T N 1.507 116.147 114.554 0.143 0.000 2.761 621 T HA 0.269 4.657 4.350 0.064 0.000 0.296 621 T C -0.178 174.567 174.700 0.075 0.000 0.934 621 T CA -0.476 61.693 62.100 0.114 0.000 1.091 621 T CB 0.208 69.124 68.868 0.081 0.000 0.896 621 T HN 0.080 nan 8.240 nan 0.000 0.515 622 L N 5.488 126.751 121.223 0.068 0.000 2.265 622 L HA 0.505 4.883 4.340 0.064 0.000 0.289 622 L C -0.171 176.719 176.870 0.033 0.000 1.033 622 L CA 0.122 54.908 54.840 -0.089 0.000 0.814 622 L CB 0.941 42.939 42.059 -0.101 0.000 1.203 622 L HN 0.520 nan 8.230 nan 0.000 0.423 623 T N 6.567 121.065 114.554 -0.094 0.000 2.786 623 T HA 0.510 4.898 4.350 0.064 0.000 0.283 623 T C -0.202 174.423 174.700 -0.124 0.000 0.992 623 T CA -0.374 61.676 62.100 -0.082 0.000 0.954 623 T CB 0.810 69.633 68.868 -0.076 0.000 0.934 623 T HN 0.417 nan 8.240 nan 0.000 0.440 624 L N 4.775 125.910 121.223 -0.146 0.000 2.265 624 L HA 0.582 4.961 4.340 0.064 0.000 0.288 624 L C -0.276 176.496 176.870 -0.163 0.000 1.058 624 L CA -0.635 54.110 54.840 -0.159 0.000 0.809 624 L CB 0.589 42.536 42.059 -0.188 0.000 1.179 624 L HN 0.490 nan 8.230 nan 0.000 0.429 625 I N 2.900 123.400 120.570 -0.117 0.000 2.509 625 I HA 0.756 4.964 4.170 0.064 0.000 0.293 625 I C -0.243 175.827 176.117 -0.078 0.000 1.020 625 I CA -0.548 60.689 61.300 -0.106 0.000 1.088 625 I CB 2.131 40.084 38.000 -0.079 0.000 1.267 625 I HN 0.663 nan 8.210 nan 0.000 0.430 626 A N 4.192 126.963 122.820 -0.082 0.000 2.488 626 A HA 0.596 4.954 4.320 0.064 0.000 0.295 626 A C -1.324 176.230 177.584 -0.049 0.000 1.045 626 A CA -0.754 51.252 52.037 -0.051 0.000 0.703 626 A CB 1.317 20.292 19.000 -0.041 0.000 1.271 626 A HN 0.615 nan 8.150 nan 0.000 0.400 627 D N 0.720 121.100 120.400 -0.034 0.000 2.377 627 D HA 0.097 4.775 4.640 0.064 0.000 0.245 627 D C 1.211 177.493 176.300 -0.031 0.000 1.196 627 D CA -0.258 53.721 54.000 -0.035 0.000 0.962 627 D CB 0.652 41.434 40.800 -0.030 0.000 1.127 627 D HN 0.577 nan 8.370 nan 0.000 0.471 628 N N -0.267 118.405 118.700 -0.047 0.000 2.094 628 N HA -0.139 4.640 4.740 0.064 0.000 0.191 628 N C -0.133 175.344 175.510 -0.055 0.000 1.023 628 N CA 1.120 54.128 53.050 -0.070 0.000 0.857 628 N CB -0.016 38.389 38.487 -0.137 0.000 1.013 628 N HN 0.468 nan 8.380 nan 0.000 0.426 629 T N -0.436 114.091 114.554 -0.045 0.000 3.029 629 T HA 0.524 4.912 4.350 0.064 0.000 0.346 629 T C -2.746 171.951 174.700 -0.005 0.000 1.211 629 T CA -1.836 60.250 62.100 -0.023 0.000 1.009 629 T CB 1.268 70.119 68.868 -0.029 0.000 1.084 629 T HN -0.014 nan 8.240 nan 0.000 0.536 630 P HA 0.371 nan 4.420 nan 0.000 0.282 630 P C 0.043 177.356 177.300 0.022 0.000 1.274 630 P CA -0.191 62.920 63.100 0.017 0.000 0.770 630 P CB 1.155 32.874 31.700 0.031 0.000 0.867 631 D N 0.685 121.097 120.400 0.020 0.000 2.473 631 D HA 0.093 4.771 4.640 0.064 0.000 0.230 631 D C -0.282 176.036 176.300 0.030 0.000 1.097 631 D CA 0.585 54.599 54.000 0.024 0.000 0.861 631 D CB 0.739 41.550 40.800 0.018 0.000 1.114 631 D HN 0.191 nan 8.370 nan 0.000 0.500 632 S N -0.429 115.287 115.700 0.027 0.000 2.579 632 S HA 0.467 4.975 4.470 0.064 0.000 0.272 632 S C -1.132 173.484 174.600 0.028 0.000 1.141 632 S CA -0.716 57.504 58.200 0.033 0.000 0.843 632 S CB 2.101 65.321 63.200 0.033 0.000 1.122 632 S HN 0.182 nan 8.310 nan 0.000 0.468 633 I N 1.970 122.560 120.570 0.033 0.000 2.460 633 I HA 0.558 4.767 4.170 0.064 0.000 0.298 633 I C -1.437 174.694 176.117 0.023 0.000 0.989 633 I CA -1.155 60.157 61.300 0.019 0.000 1.173 633 I CB 0.761 38.772 38.000 0.017 0.000 1.338 633 I HN 0.595 nan 8.210 nan 0.000 0.456 634 I N 7.883 128.455 120.570 0.003 0.000 2.339 634 I HA 0.269 4.477 4.170 0.064 0.000 0.290 634 I C -0.933 175.179 176.117 -0.007 0.000 0.994 634 I CA -0.634 60.675 61.300 0.014 0.000 1.191 634 I CB 1.432 39.431 38.000 -0.001 0.000 1.343 634 I HN 0.388 nan 8.210 nan 0.000 0.458 635 L N 7.399 128.642 121.223 0.034 0.000 2.262 635 L HA 0.384 4.762 4.340 0.064 0.000 0.288 635 L C -0.585 176.257 176.870 -0.047 0.000 1.035 635 L CA -0.407 54.403 54.840 -0.049 0.000 0.820 635 L CB 1.211 43.268 42.059 -0.003 0.000 1.204 635 L HN 0.418 nan 8.230 nan 0.000 0.424 636 L N 4.629 125.750 121.223 -0.170 0.000 2.276 636 L HA 0.519 4.897 4.340 0.064 0.000 0.286 636 L C -0.971 175.791 176.870 -0.179 0.000 1.024 636 L CA 0.097 54.892 54.840 -0.075 0.000 0.826 636 L CB 0.442 42.478 42.059 -0.038 0.000 1.211 636 L HN 0.203 nan 8.230 nan 0.000 0.422 637 F N 3.662 123.699 119.950 0.143 0.000 2.405 637 F HA 0.486 5.052 4.527 0.064 0.000 0.355 637 F C 0.588 176.440 175.800 0.087 0.000 1.121 637 F CA -0.299 57.773 58.000 0.119 0.000 1.112 637 F CB 1.002 40.092 39.000 0.150 0.000 1.126 637 F HN 0.454 nan 8.300 nan 0.000 0.481 638 E N 1.802 122.127 120.200 0.209 0.000 2.299 638 E HA 0.351 4.740 4.350 0.064 0.000 0.265 638 E C -1.325 175.342 176.600 0.113 0.000 0.911 638 E CA -1.105 55.374 56.400 0.131 0.000 0.789 638 E CB 1.951 31.696 29.700 0.075 0.000 1.246 638 E HN 0.415 nan 8.360 nan 0.000 0.427 639 D N 0.186 120.630 120.400 0.073 0.000 2.385 639 D HA 0.116 4.794 4.640 0.064 0.000 0.254 639 D C 1.068 177.382 176.300 0.023 0.000 1.053 639 D CA -0.221 53.806 54.000 0.046 0.000 0.992 639 D CB 1.442 42.257 40.800 0.024 0.000 1.145 639 D HN 0.513 nan 8.370 nan 0.000 0.523 640 T N -1.322 113.239 114.554 0.012 0.000 2.639 640 T HA -0.089 4.300 4.350 0.064 0.000 0.261 640 T C 1.113 175.803 174.700 -0.017 0.000 1.053 640 T CA 0.930 63.032 62.100 0.003 0.000 1.158 640 T CB -0.035 68.835 68.868 0.003 0.000 0.863 640 T HN 0.262 nan 8.240 nan 0.000 0.413 641 K N 0.709 121.085 120.400 -0.039 0.000 2.387 641 K HA 0.303 4.661 4.320 0.064 0.000 0.203 641 K C -0.048 176.478 176.600 -0.123 0.000 1.030 641 K CA -0.157 56.090 56.287 -0.067 0.000 1.099 641 K CB 0.718 33.181 32.500 -0.062 0.000 0.863 641 K HN 0.313 nan 8.250 nan 0.000 0.529 642 K N 0.895 121.228 120.400 -0.110 0.000 2.138 642 K HA 0.139 4.497 4.320 0.064 0.000 0.263 642 K C -0.200 176.343 176.600 -0.096 0.000 0.965 642 K CA -0.551 55.638 56.287 -0.164 0.000 0.868 642 K CB 1.505 33.940 32.500 -0.108 0.000 1.083 642 K HN -0.174 nan 8.250 nan 0.000 0.443 643 D N 1.169 121.501 120.400 -0.115 0.000 2.350 643 D HA -0.095 4.584 4.640 0.064 0.000 0.216 643 D C 0.338 176.653 176.300 0.026 0.000 0.968 643 D CA 0.722 54.705 54.000 -0.029 0.000 0.894 643 D CB 0.225 41.021 40.800 -0.007 0.000 0.909 643 D HN 0.258 nan 8.370 nan 0.000 0.520 644 R N 1.169 121.693 120.500 0.040 0.000 2.480 644 R HA 0.067 4.446 4.340 0.064 0.000 0.303 644 R C -0.545 175.801 176.300 0.077 0.000 0.985 644 R CA 0.447 56.595 56.100 0.080 0.000 1.051 644 R CB -0.180 30.175 30.300 0.091 0.000 0.935 644 R HN 0.072 nan 8.270 nan 0.000 0.410 645 I N 3.712 124.334 120.570 0.086 0.000 2.468 645 I HA 0.244 4.452 4.170 0.064 0.000 0.284 645 I C -0.330 175.846 176.117 0.099 0.000 1.038 645 I CA -0.704 60.652 61.300 0.093 0.000 1.083 645 I CB 1.987 40.028 38.000 0.068 0.000 1.223 645 I HN 0.574 nan 8.210 nan 0.000 0.443 646 A N 5.788 128.701 122.820 0.156 0.000 2.341 646 A HA 0.408 4.766 4.320 0.064 0.000 0.326 646 A C -0.153 177.547 177.584 0.194 0.000 1.402 646 A CA -0.359 51.760 52.037 0.136 0.000 0.957 646 A CB 0.288 19.430 19.000 0.237 0.000 1.151 646 A HN 0.765 nan 8.150 nan 0.000 0.533 647 E N 2.616 122.809 120.200 -0.011 0.000 2.174 647 E HA 0.519 4.908 4.350 0.064 0.000 0.282 647 E C -1.479 175.042 176.600 -0.131 0.000 0.992 647 E CA -0.271 56.148 56.400 0.032 0.000 0.803 647 E CB 0.656 30.361 29.700 0.010 0.000 1.090 647 E HN 0.622 nan 8.360 nan 0.000 0.396 648 Y N 1.462 121.845 120.300 0.139 0.000 2.587 648 Y HA 0.433 5.021 4.550 0.064 0.000 0.337 648 Y C 0.037 175.981 175.900 0.073 0.000 1.065 648 Y CA -0.857 57.315 58.100 0.120 0.000 1.126 648 Y CB 2.384 40.955 38.460 0.185 0.000 1.279 648 Y HN 0.395 nan 8.280 nan 0.000 0.489 649 S N 2.161 117.994 115.700 0.221 0.000 2.736 649 S HA 0.531 5.039 4.470 0.064 0.000 0.285 649 S C -2.085 172.585 174.600 0.117 0.000 1.163 649 S CA -0.505 57.771 58.200 0.127 0.000 1.025 649 S CB 0.429 63.674 63.200 0.076 0.000 1.030 649 S HN 0.547 nan 8.310 nan 0.000 0.486 650 L N 4.299 125.580 121.223 0.097 0.000 2.295 650 L HA 0.714 5.093 4.340 0.064 0.000 0.285 650 L C -0.314 176.594 176.870 0.065 0.000 1.035 650 L CA -0.394 54.495 54.840 0.081 0.000 0.806 650 L CB 1.312 43.416 42.059 0.076 0.000 1.214 650 L HN 0.659 nan 8.230 nan 0.000 0.426 651 K N 4.766 125.202 120.400 0.060 0.000 2.312 651 K HA 0.395 4.753 4.320 0.064 0.000 0.287 651 K C -0.869 175.766 176.600 0.058 0.000 1.062 651 K CA 0.076 56.395 56.287 0.053 0.000 0.934 651 K CB 0.004 32.532 32.500 0.046 0.000 1.027 651 K HN 0.651 nan 8.250 nan 0.000 0.478 652 L N 4.906 126.164 121.223 0.059 0.000 2.472 652 L HA 0.373 4.751 4.340 0.064 0.000 0.260 652 L C 0.547 177.455 176.870 0.064 0.000 1.209 652 L CA -0.282 54.600 54.840 0.069 0.000 0.817 652 L CB 0.379 42.479 42.059 0.069 0.000 1.106 652 L HN 0.691 nan 8.230 nan 0.000 0.479 653 M N -0.979 118.664 119.600 0.072 0.000 2.470 653 M HA 0.457 4.975 4.480 0.064 0.000 0.285 653 M C -1.791 174.547 176.300 0.065 0.000 1.213 653 M CA -0.982 54.355 55.300 0.062 0.000 0.901 653 M CB 2.094 34.730 32.600 0.060 0.000 1.718 653 M HN 0.163 nan 8.290 nan 0.000 0.469 654 D N 3.772 124.204 120.400 0.054 0.000 2.346 654 D HA 0.350 5.028 4.640 0.064 0.000 0.260 654 D C -0.508 175.824 176.300 0.052 0.000 1.252 654 D CA 0.298 54.329 54.000 0.052 0.000 0.895 654 D CB 0.551 41.376 40.800 0.042 0.000 1.097 654 D HN 0.400 nan 8.370 nan 0.000 0.489 655 I N 2.356 122.960 120.570 0.057 0.000 2.355 655 I HA 0.145 4.353 4.170 0.064 0.000 0.288 655 I C 0.242 176.387 176.117 0.046 0.000 0.999 655 I CA -0.844 60.488 61.300 0.054 0.000 1.163 655 I CB 1.181 39.218 38.000 0.062 0.000 1.316 655 I HN 0.058 nan 8.210 nan 0.000 0.454 656 D N 5.263 125.689 120.400 0.043 0.000 2.434 656 D HA 0.245 4.924 4.640 0.064 0.000 0.252 656 D C 0.617 176.941 176.300 0.040 0.000 1.185 656 D CA 0.242 54.266 54.000 0.041 0.000 0.886 656 D CB 1.350 42.173 40.800 0.039 0.000 1.148 656 D HN 0.647 nan 8.370 nan 0.000 0.483 657 A N 3.295 126.137 122.820 0.037 0.000 2.429 657 A HA 0.123 4.482 4.320 0.064 0.000 0.242 657 A C 0.279 177.890 177.584 0.044 0.000 1.088 657 A CA -0.128 51.927 52.037 0.030 0.000 0.784 657 A CB 0.357 19.370 19.000 0.022 0.000 1.038 657 A HN 0.420 nan 8.150 nan 0.000 0.501 658 D N -0.885 119.536 120.400 0.036 0.000 2.277 658 D HA 0.425 5.104 4.640 0.064 0.000 0.250 658 D C -0.653 175.700 176.300 0.087 0.000 1.032 658 D CA -0.067 53.972 54.000 0.065 0.000 0.947 658 D CB 0.845 41.670 40.800 0.042 0.000 1.159 658 D HN 0.366 nan 8.370 nan 0.000 0.460 659 F N 2.031 121.970 119.950 -0.018 0.000 2.445 659 F HA 0.191 4.756 4.527 0.064 0.000 0.359 659 F C -0.672 175.106 175.800 -0.036 0.000 1.101 659 F CA -0.746 57.241 58.000 -0.023 0.000 1.177 659 F CB 0.314 39.304 39.000 -0.017 0.000 1.110 659 F HN -0.018 nan 8.300 nan 0.000 0.522 660 L N 6.608 127.456 121.223 -0.626 0.000 2.276 660 L HA 0.350 4.729 4.340 0.064 0.000 0.286 660 L C -0.378 176.105 176.870 -0.646 0.000 1.061 660 L CA -0.491 54.061 54.840 -0.481 0.000 0.807 660 L CB 0.869 42.732 42.059 -0.327 0.000 1.177 660 L HN 0.601 nan 8.230 nan 0.000 0.429 661 K N 4.578 124.755 120.400 -0.372 0.000 2.263 661 K HA 0.521 4.879 4.320 0.064 0.000 0.272 661 K C -0.380 176.090 176.600 -0.218 0.000 1.033 661 K CA -0.305 55.827 56.287 -0.258 0.000 0.884 661 K CB 1.593 34.031 32.500 -0.104 0.000 1.107 661 K HN 0.469 nan 8.250 nan 0.000 0.460 662 I N 3.756 124.214 120.570 -0.187 0.000 2.294 662 I HA 0.056 4.264 4.170 0.064 0.000 0.295 662 I C -0.085 175.964 176.117 -0.114 0.000 1.098 662 I CA 0.010 61.221 61.300 -0.148 0.000 1.277 662 I CB 0.251 38.178 38.000 -0.122 0.000 1.434 662 I HN 0.454 nan 8.210 nan 0.000 0.498 663 E N 6.226 126.353 120.200 -0.121 0.000 2.129 663 E HA 0.356 4.745 4.350 0.064 0.000 0.268 663 E C -0.990 175.556 176.600 -0.089 0.000 0.900 663 E CA -0.708 55.632 56.400 -0.099 0.000 0.755 663 E CB 1.424 31.063 29.700 -0.102 0.000 1.117 663 E HN 0.423 nan 8.360 nan 0.000 0.410 664 E N 3.187 123.338 120.200 -0.081 0.000 2.121 664 E HA 0.298 4.687 4.350 0.064 0.000 0.255 664 E C -0.847 175.691 176.600 -0.102 0.000 0.906 664 E CA -0.451 55.903 56.400 -0.076 0.000 0.745 664 E CB 0.352 30.019 29.700 -0.056 0.000 1.155 664 E HN 0.306 nan 8.360 nan 0.000 0.424 665 L N -0.871 120.255 121.223 -0.162 0.000 2.277 665 L HA 0.624 5.003 4.340 0.064 0.000 0.254 665 L C -0.418 176.297 176.870 -0.258 0.000 1.044 665 L CA -1.272 53.443 54.840 -0.209 0.000 0.842 665 L CB 1.210 43.114 42.059 -0.258 0.000 1.422 665 L HN 0.226 nan 8.230 nan 0.000 0.422 666 Q N 0.193 119.864 119.800 -0.214 0.000 2.347 666 Q HA 0.451 4.830 4.340 0.064 0.000 0.262 666 Q C -1.515 174.385 176.000 -0.168 0.000 0.980 666 Q CA -0.573 55.144 55.803 -0.143 0.000 0.867 666 Q CB 0.830 29.531 28.738 -0.062 0.000 1.242 666 Q HN 0.629 nan 8.270 nan 0.000 0.453 667 Y N 1.900 122.185 120.300 -0.025 0.000 2.385 667 Y HA -0.053 4.535 4.550 0.064 0.000 0.346 667 Y C 1.005 176.888 175.900 -0.029 0.000 1.270 667 Y CA 0.069 58.152 58.100 -0.029 0.000 1.472 667 Y CB 0.699 39.129 38.460 -0.049 0.000 1.354 667 Y HN 0.711 nan 8.280 nan 0.000 0.611 668 D N -0.720 119.772 120.400 0.153 0.000 2.240 668 D HA 0.020 4.699 4.640 0.064 0.000 0.206 668 D C 0.196 176.525 176.300 0.049 0.000 0.963 668 D CA 0.830 54.872 54.000 0.070 0.000 0.863 668 D CB 0.360 41.190 40.800 0.050 0.000 0.973 668 D HN 0.253 nan 8.370 nan 0.000 0.501 669 S N -1.284 114.445 115.700 0.048 0.000 2.550 669 S HA 0.548 5.056 4.470 0.064 0.000 0.270 669 S C -1.495 173.056 174.600 -0.082 0.000 1.145 669 S CA -0.542 57.650 58.200 -0.015 0.000 0.852 669 S CB 1.783 64.967 63.200 -0.026 0.000 1.119 669 S HN -0.110 nan 8.310 nan 0.000 0.465 670 T N 3.794 118.282 114.554 -0.110 0.000 2.937 670 T HA 0.610 4.999 4.350 0.064 0.000 0.297 670 T C -1.112 173.494 174.700 -0.158 0.000 0.991 670 T CA -0.534 61.454 62.100 -0.187 0.000 0.990 670 T CB 0.750 69.505 68.868 -0.188 0.000 0.991 670 T HN 0.762 nan 8.240 nan 0.000 0.440 671 L N 0.745 121.855 121.223 -0.187 0.000 2.409 671 L HA 1.018 5.396 4.340 0.064 0.000 0.262 671 L C -0.403 176.358 176.870 -0.181 0.000 0.992 671 L CA -0.950 53.804 54.840 -0.144 0.000 0.817 671 L CB 2.424 44.431 42.059 -0.087 0.000 1.350 671 L HN 0.593 nan 8.230 nan 0.000 0.411 672 S N 3.068 118.678 115.700 -0.151 0.000 2.532 672 S HA 0.897 5.406 4.470 0.064 0.000 0.299 672 S C -0.674 173.854 174.600 -0.119 0.000 1.105 672 S CA -0.698 57.402 58.200 -0.167 0.000 1.018 672 S CB 1.627 64.726 63.200 -0.168 0.000 1.021 672 S HN 1.048 nan 8.310 nan 0.000 0.483 673 L N -1.589 119.572 121.223 -0.104 0.000 2.491 673 L HA 0.822 5.201 4.340 0.064 0.000 0.254 673 L C -3.308 173.557 176.870 -0.008 0.000 1.048 673 L CA -2.958 51.860 54.840 -0.037 0.000 0.855 673 L CB 1.174 43.262 42.059 0.049 0.000 1.466 673 L HN 0.259 nan 8.230 nan 0.000 0.409 674 P HA 0.031 nan 4.420 nan 0.000 0.261 674 P C 0.615 177.991 177.300 0.127 0.000 1.183 674 P CA 0.223 63.371 63.100 0.080 0.000 0.761 674 P CB 0.936 32.697 31.700 0.102 0.000 0.785 675 S N 1.692 117.483 115.700 0.151 0.000 2.447 675 S HA -0.150 4.359 4.470 0.064 0.000 0.233 675 S C 1.714 176.449 174.600 0.225 0.000 1.006 675 S CA 1.361 59.717 58.200 0.260 0.000 0.957 675 S CB -1.056 62.372 63.200 0.380 0.000 0.773 675 S HN 0.490 nan 8.310 nan 0.000 0.507 676 S N 1.449 117.235 115.700 0.144 0.000 2.387 676 S HA -0.051 4.457 4.470 0.064 0.000 0.226 676 S C 1.887 176.527 174.600 0.067 0.000 1.026 676 S CA 0.806 59.060 58.200 0.089 0.000 0.972 676 S CB -0.522 62.720 63.200 0.069 0.000 0.814 676 S HN 0.718 nan 8.310 nan 0.000 0.477 677 E N 0.473 120.727 120.200 0.091 0.000 2.051 677 E HA -0.083 4.306 4.350 0.064 0.000 0.189 677 E C 1.842 178.460 176.600 0.030 0.000 0.979 677 E CA 0.807 57.243 56.400 0.061 0.000 0.803 677 E CB -0.326 29.430 29.700 0.094 0.000 0.761 677 E HN 0.527 nan 8.360 nan 0.000 0.451 678 F N 1.134 121.049 119.950 -0.059 0.000 2.202 678 F HA -0.202 4.363 4.527 0.064 0.000 0.301 678 F C 2.408 178.128 175.800 -0.132 0.000 1.082 678 F CA 1.688 59.612 58.000 -0.126 0.000 1.313 678 F CB -0.396 38.577 39.000 -0.046 0.000 1.024 678 F HN 0.029 nan 8.300 nan 0.000 0.495 679 S N 0.028 115.687 115.700 -0.068 0.000 2.345 679 S HA -0.212 4.297 4.470 0.064 0.000 0.220 679 S C 2.293 176.758 174.600 -0.224 0.000 1.031 679 S CA 1.444 59.547 58.200 -0.162 0.000 0.996 679 S CB -0.527 62.660 63.200 -0.021 0.000 0.882 679 S HN 0.523 nan 8.310 nan 0.000 0.445 680 K N 0.630 120.939 120.400 -0.152 0.000 2.032 680 K HA -0.103 4.256 4.320 0.064 0.000 0.209 680 K C 2.082 178.562 176.600 -0.200 0.000 1.048 680 K CA 1.822 58.021 56.287 -0.146 0.000 0.927 680 K CB -0.432 32.010 32.500 -0.097 0.000 0.712 680 K HN 0.479 nan 8.250 nan 0.000 0.441 681 I N 0.870 121.280 120.570 -0.267 0.000 2.194 681 I HA -0.307 3.901 4.170 0.064 0.000 0.246 681 I C 2.312 178.213 176.117 -0.360 0.000 1.093 681 I CA 1.156 62.258 61.300 -0.331 0.000 1.355 681 I CB -0.301 37.373 38.000 -0.543 0.000 1.046 681 I HN 0.026 nan 8.210 nan 0.000 0.413 682 V N 0.695 120.315 119.914 -0.489 0.000 2.270 682 V HA -0.234 3.925 4.120 0.064 0.000 0.245 682 V C 2.543 178.495 176.094 -0.237 0.000 1.043 682 V CA 1.764 63.817 62.300 -0.412 0.000 1.014 682 V CB -0.734 30.754 31.823 -0.559 0.000 0.645 682 V HN 0.348 nan 8.190 nan 0.000 0.447 683 R N 0.002 120.371 120.500 -0.218 0.000 2.105 683 R HA -0.174 4.204 4.340 0.064 0.000 0.239 683 R C 2.036 178.264 176.300 -0.119 0.000 1.135 683 R CA 1.725 57.733 56.100 -0.152 0.000 0.967 683 R CB -0.422 29.794 30.300 -0.141 0.000 0.861 683 R HN 0.544 nan 8.270 nan 0.000 0.442 684 D N 0.540 120.870 120.400 -0.117 0.000 2.117 684 D HA -0.105 4.573 4.640 0.064 0.000 0.198 684 D C 1.908 178.203 176.300 -0.009 0.000 0.982 684 D CA 1.064 55.017 54.000 -0.079 0.000 0.828 684 D CB -0.058 40.704 40.800 -0.063 0.000 0.967 684 D HN 0.190 nan 8.370 nan 0.000 0.464 685 L N 0.441 121.664 121.223 -0.001 0.000 2.240 685 L HA -0.025 4.354 4.340 0.064 0.000 0.211 685 L C 2.240 179.117 176.870 0.012 0.000 1.106 685 L CA 0.419 55.286 54.840 0.045 0.000 0.793 685 L CB -0.144 41.933 42.059 0.030 0.000 0.927 685 L HN -0.107 nan 8.230 nan 0.000 0.446 686 S N -0.244 115.436 115.700 -0.033 0.000 2.442 686 S HA -0.201 4.308 4.470 0.064 0.000 0.236 686 S C 1.841 176.423 174.600 -0.030 0.000 1.007 686 S CA 1.048 59.224 58.200 -0.039 0.000 0.965 686 S CB -0.164 62.993 63.200 -0.071 0.000 0.773 686 S HN 0.497 nan 8.310 nan 0.000 0.504 687 Q N 0.166 119.948 119.800 -0.029 0.000 2.297 687 Q HA 0.086 4.465 4.340 0.064 0.000 0.204 687 Q C 1.745 177.740 176.000 -0.007 0.000 0.962 687 Q CA 0.773 56.558 55.803 -0.030 0.000 0.879 687 Q CB -0.150 28.559 28.738 -0.049 0.000 0.947 687 Q HN 0.515 nan 8.270 nan 0.000 0.462 688 L N -1.371 119.863 121.223 0.018 0.000 2.286 688 L HA 0.155 4.533 4.340 0.064 0.000 0.203 688 L C 1.075 177.962 176.870 0.028 0.000 1.068 688 L CA 0.093 54.956 54.840 0.037 0.000 0.811 688 L CB 0.473 42.580 42.059 0.079 0.000 0.989 688 L HN -0.096 nan 8.230 nan 0.000 0.467 689 S N -1.535 114.180 115.700 0.026 0.000 2.618 689 S HA 0.271 4.779 4.470 0.064 0.000 0.277 689 S C -0.578 174.031 174.600 0.015 0.000 1.138 689 S CA -0.621 57.593 58.200 0.023 0.000 0.844 689 S CB 1.600 64.820 63.200 0.034 0.000 1.127 689 S HN 0.060 nan 8.310 nan 0.000 0.474 690 D N 1.243 121.652 120.400 0.015 0.000 2.340 690 D HA 0.266 4.944 4.640 0.064 0.000 0.220 690 D C -0.339 175.982 176.300 0.035 0.000 1.039 690 D CA 0.620 54.626 54.000 0.010 0.000 0.866 690 D CB 0.339 41.141 40.800 0.003 0.000 0.913 690 D HN 0.252 nan 8.370 nan 0.000 0.523 691 S N 0.047 115.776 115.700 0.048 0.000 2.557 691 S HA 0.535 5.043 4.470 0.064 0.000 0.291 691 S C -0.238 174.413 174.600 0.085 0.000 1.116 691 S CA -0.642 57.602 58.200 0.073 0.000 0.992 691 S CB 2.003 65.236 63.200 0.056 0.000 1.028 691 S HN -0.012 nan 8.310 nan 0.000 0.484 692 I N 3.111 123.761 120.570 0.133 0.000 2.389 692 I HA 0.338 4.547 4.170 0.064 0.000 0.288 692 I C -0.456 175.783 176.117 0.204 0.000 0.999 692 I CA -0.673 60.726 61.300 0.165 0.000 1.129 692 I CB 1.742 39.852 38.000 0.184 0.000 1.288 692 I HN 0.512 nan 8.210 nan 0.000 0.444 693 N N 7.448 126.238 118.700 0.149 0.000 2.422 693 N HA 0.439 5.217 4.740 0.064 0.000 0.266 693 N C -1.004 174.583 175.510 0.129 0.000 1.007 693 N CA -0.304 52.804 53.050 0.097 0.000 0.941 693 N CB 0.874 39.379 38.487 0.031 0.000 1.115 693 N HN 0.436 nan 8.380 nan 0.000 0.492 694 I N 3.409 124.071 120.570 0.154 0.000 2.331 694 I HA 0.287 4.496 4.170 0.064 0.000 0.292 694 I C -0.139 175.951 176.117 -0.045 0.000 0.998 694 I CA -0.444 60.887 61.300 0.051 0.000 1.267 694 I CB 1.190 39.360 38.000 0.283 0.000 1.386 694 I HN 0.481 nan 8.210 nan 0.000 0.476 695 M N 7.798 127.306 119.600 -0.153 0.000 2.067 695 M HA 0.464 4.983 4.480 0.064 0.000 0.286 695 M C -1.730 174.493 176.300 -0.128 0.000 0.922 695 M CA -0.586 54.651 55.300 -0.105 0.000 0.937 695 M CB 1.151 33.705 32.600 -0.078 0.000 1.550 695 M HN 0.370 nan 8.290 nan 0.000 0.433 696 I N 4.699 125.215 120.570 -0.090 0.000 2.342 696 I HA 0.481 4.689 4.170 0.064 0.000 0.291 696 I C 0.396 176.483 176.117 -0.050 0.000 1.010 696 I CA 0.305 61.557 61.300 -0.079 0.000 1.308 696 I CB 1.732 39.695 38.000 -0.063 0.000 1.400 696 I HN 0.736 nan 8.210 nan 0.000 0.488 697 T N 2.477 117.005 114.554 -0.044 0.000 2.888 697 T HA 0.471 4.859 4.350 0.064 0.000 0.288 697 T C -0.230 174.458 174.700 -0.020 0.000 1.063 697 T CA -1.188 60.895 62.100 -0.027 0.000 1.010 697 T CB 1.072 69.925 68.868 -0.024 0.000 1.214 697 T HN 0.428 nan 8.240 nan 0.000 0.533 698 K N 0.974 121.366 120.400 -0.013 0.000 2.436 698 K HA 0.017 4.376 4.320 0.064 0.000 0.282 698 K C -0.013 176.586 176.600 -0.001 0.000 1.044 698 K CA 0.512 56.795 56.287 -0.007 0.000 1.028 698 K CB -0.354 32.143 32.500 -0.005 0.000 0.919 698 K HN 0.816 nan 8.250 nan 0.000 0.474 699 E N 1.103 121.305 120.200 0.004 0.000 2.868 699 E HA -0.195 4.193 4.350 0.064 0.000 0.278 699 E C -1.145 175.469 176.600 0.023 0.000 1.009 699 E CA 0.855 57.266 56.400 0.018 0.000 0.856 699 E CB -1.217 28.496 29.700 0.021 0.000 1.428 699 E HN 0.678 nan 8.360 nan 0.000 0.423 700 T N 0.347 114.907 114.554 0.009 0.000 3.295 700 T HA 0.524 4.913 4.350 0.064 0.000 0.331 700 T C -0.492 174.194 174.700 -0.023 0.000 1.142 700 T CA -0.598 61.506 62.100 0.007 0.000 1.078 700 T CB 1.227 70.095 68.868 0.000 0.000 1.150 700 T HN 0.126 nan 8.240 nan 0.000 0.465 701 I N 2.790 123.348 120.570 -0.020 0.000 2.389 701 I HA 0.515 4.723 4.170 0.064 0.000 0.288 701 I C -0.120 175.899 176.117 -0.164 0.000 0.999 701 I CA -0.774 60.458 61.300 -0.114 0.000 1.129 701 I CB 1.860 39.822 38.000 -0.063 0.000 1.288 701 I HN 0.289 nan 8.210 nan 0.000 0.444 702 K N 6.945 127.170 120.400 -0.291 0.000 2.450 702 K HA 0.529 4.887 4.320 0.064 0.000 0.257 702 K C -1.609 174.797 176.600 -0.323 0.000 0.953 702 K CA -0.484 55.686 56.287 -0.195 0.000 0.844 702 K CB 1.040 33.484 32.500 -0.093 0.000 1.103 702 K HN 0.329 nan 8.250 nan 0.000 0.429 703 F N 3.446 123.418 119.950 0.036 0.000 2.404 703 F HA 0.380 4.945 4.527 0.064 0.000 0.354 703 F C -0.149 175.649 175.800 -0.004 0.000 1.122 703 F CA -0.827 57.197 58.000 0.040 0.000 1.080 703 F CB 1.688 40.711 39.000 0.039 0.000 1.131 703 F HN 0.009 nan 8.300 nan 0.000 0.471 704 V N 3.140 123.144 119.914 0.149 0.000 2.525 704 V HA 0.738 4.897 4.120 0.064 0.000 0.299 704 V C -0.524 175.613 176.094 0.071 0.000 1.034 704 V CA -0.889 61.452 62.300 0.067 0.000 0.863 704 V CB 1.623 33.461 31.823 0.026 0.000 0.999 704 V HN 0.867 nan 8.190 nan 0.000 0.423 705 A N 3.178 126.029 122.820 0.052 0.000 2.287 705 A HA 0.733 5.091 4.320 0.064 0.000 0.317 705 A C -0.773 176.838 177.584 0.045 0.000 1.220 705 A CA -0.399 51.671 52.037 0.055 0.000 0.835 705 A CB 0.876 19.913 19.000 0.062 0.000 1.180 705 A HN 0.711 nan 8.150 nan 0.000 0.500 706 D N 2.614 123.038 120.400 0.040 0.000 2.461 706 D HA 0.540 5.218 4.640 0.064 0.000 0.240 706 D C 0.355 176.676 176.300 0.034 0.000 1.094 706 D CA 0.248 54.269 54.000 0.035 0.000 0.868 706 D CB 1.358 42.173 40.800 0.026 0.000 1.062 706 D HN 0.623 nan 8.370 nan 0.000 0.530 707 G N 2.128 110.951 108.800 0.038 0.000 2.971 707 G HA2 0.202 4.200 3.960 0.064 0.000 0.235 707 G HA3 0.202 4.200 3.960 0.064 0.000 0.235 707 G C 0.571 175.489 174.900 0.030 0.000 1.351 707 G CA -0.261 44.858 45.100 0.032 0.000 1.039 707 G HN 0.291 nan 8.290 nan 0.000 0.563 708 D N -0.368 120.047 120.400 0.025 0.000 2.110 708 D HA -0.099 4.579 4.640 0.064 0.000 0.202 708 D C 2.613 178.930 176.300 0.028 0.000 0.975 708 D CA 1.213 55.227 54.000 0.024 0.000 0.839 708 D CB -0.136 40.675 40.800 0.019 0.000 0.996 708 D HN 0.429 nan 8.370 nan 0.000 0.464 709 I N -1.796 118.791 120.570 0.028 0.000 2.454 709 I HA 0.127 4.335 4.170 0.064 0.000 0.254 709 I C 0.959 177.101 176.117 0.043 0.000 1.156 709 I CA 0.981 62.300 61.300 0.031 0.000 1.433 709 I CB -0.156 37.859 38.000 0.026 0.000 1.082 709 I HN -0.011 nan 8.210 nan 0.000 0.432 710 G N 0.620 109.450 108.800 0.050 0.000 2.328 710 G HA2 0.334 4.333 3.960 0.064 0.000 0.299 710 G HA3 0.334 4.333 3.960 0.064 0.000 0.299 710 G C -1.292 173.653 174.900 0.076 0.000 1.435 710 G CA -0.133 45.006 45.100 0.064 0.000 0.865 710 G HN 0.415 nan 8.290 nan 0.000 0.601 711 S N -0.635 115.110 115.700 0.075 0.000 2.451 711 S HA 0.847 5.355 4.470 0.064 0.000 0.301 711 S C 0.352 174.996 174.600 0.074 0.000 1.116 711 S CA 0.055 58.294 58.200 0.065 0.000 1.093 711 S CB 1.825 65.046 63.200 0.036 0.000 1.017 711 S HN 1.871 nan 8.310 nan 0.000 0.482 712 G N 0.385 109.219 108.800 0.057 0.000 2.432 712 G HA2 0.630 4.629 3.960 0.064 0.000 0.331 712 G HA3 0.630 4.629 3.960 0.064 0.000 0.331 712 G C -1.106 173.642 174.900 -0.254 0.000 1.170 712 G CA -0.846 44.178 45.100 -0.127 0.000 0.943 712 G HN 0.912 nan 8.290 nan 0.000 0.483 713 S N -0.138 115.294 115.700 -0.447 0.000 2.619 713 S HA 0.566 5.075 4.470 0.064 0.000 0.280 713 S C -1.013 173.443 174.600 -0.240 0.000 1.150 713 S CA -0.513 57.550 58.200 -0.228 0.000 0.978 713 S CB 1.554 64.690 63.200 -0.108 0.000 1.041 713 S HN 0.611 nan 8.310 nan 0.000 0.485 714 V N 6.196 126.072 119.914 -0.064 0.000 2.417 714 V HA 0.585 4.743 4.120 0.064 0.000 0.291 714 V C -0.468 175.714 176.094 0.146 0.000 1.024 714 V CA -0.559 61.761 62.300 0.034 0.000 0.861 714 V CB 1.382 33.253 31.823 0.080 0.000 0.985 714 V HN 0.830 nan 8.190 nan 0.000 0.436 715 I N 6.501 127.137 120.570 0.110 0.000 2.411 715 I HA 0.525 4.733 4.170 0.064 0.000 0.284 715 I C -0.217 175.981 176.117 0.135 0.000 1.012 715 I CA -0.412 60.953 61.300 0.108 0.000 1.119 715 I CB 1.483 39.517 38.000 0.056 0.000 1.261 715 I HN 0.605 nan 8.210 nan 0.000 0.448 716 I N 3.074 123.750 120.570 0.177 0.000 2.707 716 I HA 0.632 4.840 4.170 0.064 0.000 0.309 716 I C -0.885 175.324 176.117 0.153 0.000 1.001 716 I CA -0.746 60.667 61.300 0.188 0.000 1.129 716 I CB 1.871 40.027 38.000 0.260 0.000 1.308 716 I HN 0.460 nan 8.210 nan 0.000 0.466 717 K N 3.782 124.288 120.400 0.176 0.000 2.371 717 K HA 0.554 4.912 4.320 0.064 0.000 0.251 717 K C -2.705 174.042 176.600 0.245 0.000 0.934 717 K CA -1.744 54.639 56.287 0.160 0.000 0.798 717 K CB 1.966 34.538 32.500 0.120 0.000 1.204 717 K HN 0.376 nan 8.250 nan 0.000 0.427 718 P HA 0.065 nan 4.420 nan 0.000 0.269 718 P C -1.099 176.355 177.300 0.255 0.000 1.209 718 P CA 0.045 63.220 63.100 0.126 0.000 0.776 718 P CB 0.192 31.923 31.700 0.052 0.000 0.876 719 F N -0.689 119.276 119.950 0.025 0.000 2.746 719 F HA 0.567 5.133 4.527 0.064 0.000 0.311 719 F C -2.181 173.634 175.800 0.024 0.000 1.135 719 F CA -1.238 56.777 58.000 0.025 0.000 0.954 719 F CB 0.512 39.531 39.000 0.031 0.000 1.276 719 F HN 0.018 nan 8.300 nan 0.000 0.440 720 V N 1.710 121.691 119.914 0.111 0.000 2.555 720 V HA 0.511 4.669 4.120 0.064 0.000 0.302 720 V C -1.371 174.823 176.094 0.168 0.000 1.038 720 V CA -0.339 61.968 62.300 0.010 0.000 0.887 720 V CB 1.657 33.484 31.823 0.008 0.000 0.991 720 V HN 0.782 nan 8.190 nan 0.000 0.434 721 D N 4.278 124.749 120.400 0.119 0.000 2.454 721 D HA 0.372 5.050 4.640 0.064 0.000 0.247 721 D C 0.854 177.212 176.300 0.097 0.000 1.129 721 D CA -0.523 53.584 54.000 0.179 0.000 0.877 721 D CB 1.356 42.328 40.800 0.287 0.000 1.082 721 D HN 0.263 nan 8.370 nan 0.000 0.537 722 M N 2.018 121.665 119.600 0.077 0.000 2.073 722 M HA -0.152 4.366 4.480 0.064 0.000 0.258 722 M C 1.429 177.760 176.300 0.052 0.000 1.070 722 M CA 1.624 56.952 55.300 0.047 0.000 1.103 722 M CB -0.821 31.804 32.600 0.042 0.000 1.321 722 M HN 0.381 nan 8.290 nan 0.000 0.405 723 E N -0.480 119.767 120.200 0.079 0.000 2.049 723 E HA -0.137 4.251 4.350 0.064 0.000 0.198 723 E C 1.188 177.864 176.600 0.128 0.000 1.007 723 E CA 1.230 57.686 56.400 0.092 0.000 0.809 723 E CB -0.249 29.511 29.700 0.100 0.000 0.749 723 E HN 0.439 nan 8.360 nan 0.000 0.450 724 H N -0.698 118.401 119.070 0.047 0.000 2.736 724 H HA 0.162 4.757 4.556 0.064 0.000 0.271 724 H C -2.178 173.170 175.328 0.034 0.000 1.184 724 H CA -2.170 53.903 56.048 0.042 0.000 1.378 724 H CB 1.326 31.120 29.762 0.054 0.000 1.428 724 H HN -0.038 nan 8.280 nan 0.000 0.500 725 P HA -0.088 nan 4.420 nan 0.000 0.221 725 P C 0.973 178.154 177.300 -0.199 0.000 1.150 725 P CA 0.721 63.729 63.100 -0.153 0.000 0.800 725 P CB 0.467 32.084 31.700 -0.137 0.000 0.787 726 E N -1.441 118.510 120.200 -0.415 0.000 2.512 726 E HA -0.015 4.374 4.350 0.064 0.000 0.195 726 E C 1.183 177.815 176.600 0.053 0.000 1.083 726 E CA 0.752 57.018 56.400 -0.223 0.000 0.873 726 E CB -0.628 28.910 29.700 -0.270 0.000 0.897 726 E HN 0.154 nan 8.360 nan 0.000 0.514 727 T N -0.719 113.931 114.554 0.160 0.000 3.040 727 T HA 0.113 4.502 4.350 0.064 0.000 0.266 727 T C 0.660 175.333 174.700 -0.045 0.000 1.005 727 T CA -0.116 62.118 62.100 0.222 0.000 0.906 727 T CB 0.305 69.418 68.868 0.408 0.000 1.082 727 T HN -0.057 nan 8.240 nan 0.000 0.531 728 S N 1.067 116.642 115.700 -0.208 0.000 2.608 728 S HA 0.540 5.048 4.470 0.064 0.000 0.261 728 S C -0.149 174.147 174.600 -0.506 0.000 1.314 728 S CA -0.293 57.578 58.200 -0.548 0.000 0.992 728 S CB 0.515 63.521 63.200 -0.322 0.000 0.935 728 S HN 0.372 nan 8.310 nan 0.000 0.564 729 I N 1.611 121.820 120.570 -0.601 0.000 2.503 729 I HA 0.302 4.510 4.170 0.064 0.000 0.282 729 I C -0.992 175.009 176.117 -0.194 0.000 1.059 729 I CA -0.761 60.360 61.300 -0.298 0.000 1.081 729 I CB 1.615 39.500 38.000 -0.192 0.000 1.210 729 I HN 0.298 nan 8.210 nan 0.000 0.450 730 K N 5.230 125.544 120.400 -0.143 0.000 2.172 730 K HA 0.619 4.978 4.320 0.064 0.000 0.276 730 K C -0.973 175.578 176.600 -0.081 0.000 1.013 730 K CA -0.358 55.866 56.287 -0.106 0.000 0.913 730 K CB 1.230 33.666 32.500 -0.107 0.000 1.055 730 K HN 0.369 nan 8.250 nan 0.000 0.461 731 L N 3.484 124.671 121.223 -0.060 0.000 2.457 731 L HA 0.338 4.716 4.340 0.064 0.000 0.266 731 L C -1.367 175.476 176.870 -0.044 0.000 0.979 731 L CA -0.365 54.445 54.840 -0.049 0.000 0.857 731 L CB 1.209 43.252 42.059 -0.027 0.000 1.213 731 L HN 0.652 nan 8.230 nan 0.000 0.418 732 E N 5.414 125.581 120.200 -0.054 0.000 2.158 732 E HA 0.435 4.824 4.350 0.064 0.000 0.271 732 E C -1.162 175.416 176.600 -0.036 0.000 0.911 732 E CA -0.728 55.647 56.400 -0.042 0.000 0.767 732 E CB 2.528 32.200 29.700 -0.046 0.000 1.120 732 E HN 0.718 nan 8.360 nan 0.000 0.405 733 M N 3.144 122.730 119.600 -0.023 0.000 2.263 733 M HA 0.243 4.762 4.480 0.064 0.000 0.295 733 M C -1.038 175.257 176.300 -0.008 0.000 1.028 733 M CA -0.478 54.812 55.300 -0.016 0.000 0.921 733 M CB 1.768 34.358 32.600 -0.018 0.000 1.601 733 M HN 0.261 nan 8.290 nan 0.000 0.440 734 D N 2.215 122.615 120.400 -0.001 0.000 2.277 734 D HA 0.087 4.765 4.640 0.064 0.000 0.209 734 D C -0.118 176.182 176.300 -0.000 0.000 0.970 734 D CA 0.939 54.940 54.000 0.001 0.000 0.874 734 D CB 0.589 41.394 40.800 0.008 0.000 0.982 734 D HN 0.650 nan 8.370 nan 0.000 0.504 735 Q N -0.231 119.570 119.800 0.001 0.000 2.386 735 Q HA 0.286 4.664 4.340 0.064 0.000 0.274 735 Q C -2.908 173.090 176.000 -0.003 0.000 1.011 735 Q CA -1.781 54.022 55.803 -0.001 0.000 0.867 735 Q CB 2.453 31.192 28.738 0.001 0.000 1.409 735 Q HN -0.237 nan 8.270 nan 0.000 0.395 736 P HA -0.013 nan 4.420 nan 0.000 0.265 736 P C -1.157 176.138 177.300 -0.009 0.000 1.187 736 P CA 0.116 63.209 63.100 -0.012 0.000 0.766 736 P CB 0.548 32.240 31.700 -0.014 0.000 0.820 737 V N 2.396 122.302 119.914 -0.013 0.000 2.769 737 V HA 0.500 4.659 4.120 0.064 0.000 0.312 737 V C -0.249 175.834 176.094 -0.019 0.000 1.061 737 V CA -0.189 62.108 62.300 -0.006 0.000 0.931 737 V CB 2.213 34.043 31.823 0.011 0.000 1.010 737 V HN 0.456 nan 8.190 nan 0.000 0.433 738 D N 3.035 123.422 120.400 -0.022 0.000 2.586 738 D HA 0.418 5.097 4.640 0.064 0.000 0.254 738 D C -1.063 175.197 176.300 -0.067 0.000 1.248 738 D CA -0.073 53.904 54.000 -0.038 0.000 0.843 738 D CB 0.355 41.134 40.800 -0.035 0.000 1.332 738 D HN 0.416 nan 8.370 nan 0.000 0.523 739 L N 0.633 121.799 121.223 -0.095 0.000 2.330 739 L HA 0.678 5.056 4.340 0.064 0.000 0.271 739 L C 0.309 176.946 176.870 -0.387 0.000 1.013 739 L CA -0.830 53.853 54.840 -0.263 0.000 0.816 739 L CB 2.296 44.156 42.059 -0.333 0.000 1.287 739 L HN 0.036 nan 8.230 nan 0.000 0.435 740 T N 1.142 115.386 114.554 -0.517 0.000 2.807 740 T HA 0.674 5.062 4.350 0.064 0.000 0.279 740 T C -0.929 173.444 174.700 -0.545 0.000 0.993 740 T CA -0.294 61.587 62.100 -0.366 0.000 0.970 740 T CB 0.917 69.701 68.868 -0.140 0.000 0.950 740 T HN 0.124 nan 8.240 nan 0.000 0.441 741 F N 0.670 120.708 119.950 0.146 0.000 2.563 741 F HA 0.601 5.167 4.527 0.064 0.000 0.316 741 F C 1.003 176.899 175.800 0.159 0.000 1.076 741 F CA -1.196 56.907 58.000 0.171 0.000 0.921 741 F CB 1.338 40.465 39.000 0.213 0.000 1.209 741 F HN 0.661 nan 8.300 nan 0.000 0.462 742 G N 0.693 109.734 108.800 0.401 0.000 2.299 742 G HA2 0.356 4.355 3.960 0.064 0.000 0.256 742 G HA3 0.356 4.355 3.960 0.064 0.000 0.256 742 G C 0.765 175.783 174.900 0.198 0.000 1.259 742 G CA 0.104 45.379 45.100 0.291 0.000 0.943 742 G HN 0.996 nan 8.290 nan 0.000 0.479 743 A N 2.968 125.839 122.820 0.085 0.000 1.978 743 A HA -0.096 4.262 4.320 0.064 0.000 0.220 743 A C 2.234 179.781 177.584 -0.061 0.000 1.170 743 A CA 1.936 53.982 52.037 0.015 0.000 0.636 743 A CB -0.287 18.708 19.000 -0.007 0.000 0.810 743 A HN 0.711 nan 8.150 nan 0.000 0.448 744 K N -1.390 118.926 120.400 -0.139 0.000 2.044 744 K HA -0.227 4.131 4.320 0.064 0.000 0.210 744 K C 1.725 178.154 176.600 -0.285 0.000 1.049 744 K CA 2.094 58.213 56.287 -0.280 0.000 0.927 744 K CB -0.350 31.867 32.500 -0.473 0.000 0.713 744 K HN 0.554 nan 8.250 nan 0.000 0.443 745 Y N 0.764 121.055 120.300 -0.016 0.000 2.286 745 Y HA -0.040 4.548 4.550 0.064 0.000 0.293 745 Y C 2.069 177.881 175.900 -0.146 0.000 1.124 745 Y CA 0.708 58.783 58.100 -0.042 0.000 1.178 745 Y CB -0.236 38.232 38.460 0.013 0.000 1.010 745 Y HN -0.031 nan 8.280 nan 0.000 0.536 746 L N -0.534 120.679 121.223 -0.016 0.000 2.131 746 L HA -0.214 4.164 4.340 0.064 0.000 0.210 746 L C 2.057 178.809 176.870 -0.198 0.000 1.092 746 L CA 1.049 55.780 54.840 -0.182 0.000 0.759 746 L CB -0.595 41.378 42.059 -0.144 0.000 0.903 746 L HN 0.293 nan 8.230 nan 0.000 0.435 747 L N -0.540 120.592 121.223 -0.151 0.000 2.201 747 L HA -0.194 4.185 4.340 0.064 0.000 0.212 747 L C 1.914 178.694 176.870 -0.149 0.000 1.105 747 L CA 0.821 55.570 54.840 -0.151 0.000 0.775 747 L CB -0.405 41.577 42.059 -0.128 0.000 0.913 747 L HN 0.288 nan 8.230 nan 0.000 0.440 748 D N -0.142 120.170 120.400 -0.145 0.000 2.183 748 D HA -0.020 4.658 4.640 0.064 0.000 0.205 748 D C 2.295 178.410 176.300 -0.309 0.000 0.962 748 D CA 0.908 54.824 54.000 -0.140 0.000 0.849 748 D CB 0.159 40.937 40.800 -0.036 0.000 0.978 748 D HN 0.266 nan 8.370 nan 0.000 0.488 749 I N 1.682 121.968 120.570 -0.474 0.000 2.394 749 I HA -0.158 4.050 4.170 0.064 0.000 0.251 749 I C 2.378 178.241 176.117 -0.424 0.000 1.136 749 I CA 0.670 61.431 61.300 -0.899 0.000 1.425 749 I CB -0.323 37.165 38.000 -0.854 0.000 1.079 749 I HN 0.030 nan 8.210 nan 0.000 0.425 750 I N -1.247 119.220 120.570 -0.173 0.000 2.830 750 I HA -0.147 4.061 4.170 0.064 0.000 0.263 750 I C 1.873 177.922 176.117 -0.114 0.000 1.230 750 I CA 1.195 62.505 61.300 0.017 0.000 1.480 750 I CB -0.505 37.466 38.000 -0.049 0.000 1.095 750 I HN 0.077 nan 8.210 nan 0.000 0.455 751 K N 1.783 122.064 120.400 -0.198 0.000 2.504 751 K HA 0.051 4.409 4.320 0.064 0.000 0.195 751 K C 1.816 178.268 176.600 -0.247 0.000 1.036 751 K CA 0.856 57.038 56.287 -0.175 0.000 0.984 751 K CB -0.108 32.318 32.500 -0.124 0.000 0.788 751 K HN 0.599 nan 8.250 nan 0.000 0.488 752 G N 1.146 109.644 108.800 -0.503 0.000 2.920 752 G HA2 -0.127 3.872 3.960 0.064 0.000 0.208 752 G HA3 -0.127 3.872 3.960 0.064 0.000 0.208 752 G C 1.229 175.576 174.900 -0.921 0.000 1.159 752 G CA 0.132 44.701 45.100 -0.885 0.000 0.784 752 G HN 0.302 nan 8.290 nan 0.000 0.535 753 S N 0.635 116.085 115.700 -0.416 0.000 2.603 753 S HA -0.069 4.439 4.470 0.064 0.000 0.229 753 S C 2.157 176.732 174.600 -0.042 0.000 0.972 753 S CA 1.102 59.266 58.200 -0.059 0.000 0.935 753 S CB -0.162 63.073 63.200 0.059 0.000 0.769 753 S HN 0.421 nan 8.310 nan 0.000 0.536 754 S N 0.826 116.463 115.700 -0.105 0.000 2.524 754 S HA 0.293 4.801 4.470 0.064 0.000 0.216 754 S C 1.477 176.056 174.600 -0.035 0.000 0.987 754 S CA -0.193 57.972 58.200 -0.058 0.000 0.909 754 S CB -0.492 62.664 63.200 -0.074 0.000 0.781 754 S HN 0.536 nan 8.310 nan 0.000 0.521 755 L N 0.385 121.582 121.223 -0.044 0.000 2.357 755 L HA 0.373 4.751 4.340 0.064 0.000 0.211 755 L C 1.038 177.959 176.870 0.086 0.000 1.075 755 L CA 0.221 55.071 54.840 0.016 0.000 0.830 755 L CB 0.203 42.272 42.059 0.017 0.000 0.996 755 L HN 0.333 nan 8.230 nan 0.000 0.467 756 S N -1.407 114.378 115.700 0.142 0.000 2.541 756 S HA 0.248 4.756 4.470 0.064 0.000 0.271 756 S C -0.327 174.378 174.600 0.175 0.000 1.133 756 S CA -0.648 57.661 58.200 0.182 0.000 0.876 756 S CB 1.629 64.990 63.200 0.269 0.000 1.105 756 S HN 0.025 nan 8.310 nan 0.000 0.470 757 D N 1.778 122.248 120.400 0.116 0.000 2.224 757 D HA 0.114 4.792 4.640 0.064 0.000 0.205 757 D C 0.508 176.869 176.300 0.101 0.000 0.965 757 D CA 1.086 55.148 54.000 0.102 0.000 0.852 757 D CB 0.183 41.027 40.800 0.073 0.000 0.947 757 D HN 0.406 nan 8.370 nan 0.000 0.494 758 R N -0.219 120.327 120.500 0.077 0.000 2.778 758 R HA 0.616 4.994 4.340 0.064 0.000 0.277 758 R C -1.013 175.254 176.300 -0.055 0.000 0.977 758 R CA -0.803 55.301 56.100 0.007 0.000 0.950 758 R CB 3.068 33.342 30.300 -0.044 0.000 1.165 758 R HN -0.174 nan 8.270 nan 0.000 0.474 759 V N 1.063 120.855 119.914 -0.204 0.000 2.531 759 V HA 0.615 4.773 4.120 0.064 0.000 0.301 759 V C -0.371 175.432 176.094 -0.485 0.000 1.034 759 V CA -0.382 61.599 62.300 -0.532 0.000 0.865 759 V CB 1.737 33.152 31.823 -0.681 0.000 0.995 759 V HN 0.883 nan 8.190 nan 0.000 0.424 760 G N 6.558 115.052 108.800 -0.509 0.000 2.372 760 G HA2 0.626 4.625 3.960 0.064 0.000 0.283 760 G HA3 0.626 4.625 3.960 0.064 0.000 0.283 760 G C -0.729 173.848 174.900 -0.539 0.000 1.177 760 G CA -0.457 44.382 45.100 -0.435 0.000 0.842 760 G HN 0.782 nan 8.290 nan 0.000 0.503 761 I N 2.828 123.088 120.570 -0.517 0.000 2.476 761 I HA 0.317 4.525 4.170 0.064 0.000 0.281 761 I C -0.428 175.332 176.117 -0.595 0.000 1.040 761 I CA -0.827 60.078 61.300 -0.659 0.000 1.094 761 I CB 1.690 39.356 38.000 -0.558 0.000 1.219 761 I HN 0.221 nan 8.210 nan 0.000 0.450 762 R N 7.280 127.331 120.500 -0.748 0.000 2.229 762 R HA 0.655 5.034 4.340 0.064 0.000 0.332 762 R C -0.988 174.963 176.300 -0.582 0.000 0.989 762 R CA -0.686 54.885 56.100 -0.881 0.000 0.842 762 R CB 1.765 31.080 30.300 -1.641 0.000 1.119 762 R HN 0.557 nan 8.270 nan 0.000 0.456 763 L N 0.980 122.060 121.223 -0.238 0.000 2.334 763 L HA 0.548 4.926 4.340 0.064 0.000 0.276 763 L C 0.252 177.262 176.870 0.232 0.000 1.014 763 L CA -0.627 54.234 54.840 0.035 0.000 0.815 763 L CB 2.032 44.106 42.059 0.024 0.000 1.268 763 L HN 0.534 nan 8.230 nan 0.000 0.428 764 S N -0.586 115.262 115.700 0.246 0.000 2.556 764 S HA 0.366 4.875 4.470 0.064 0.000 0.271 764 S C 0.484 175.147 174.600 0.106 0.000 1.135 764 S CA -0.105 58.196 58.200 0.169 0.000 0.858 764 S CB 1.861 65.135 63.200 0.123 0.000 1.114 764 S HN 0.694 nan 8.310 nan 0.000 0.468 765 S N 2.084 117.817 115.700 0.054 0.000 2.425 765 S HA 0.159 4.667 4.470 0.064 0.000 0.225 765 S C 0.883 175.498 174.600 0.025 0.000 1.024 765 S CA 0.230 58.449 58.200 0.031 0.000 0.951 765 S CB -0.239 62.968 63.200 0.012 0.000 0.796 765 S HN 0.702 nan 8.310 nan 0.000 0.498 766 E N 1.309 121.518 120.200 0.014 0.000 2.474 766 E HA 0.488 4.876 4.350 0.064 0.000 0.195 766 E C 0.216 176.823 176.600 0.012 0.000 1.039 766 E CA 0.142 56.545 56.400 0.005 0.000 0.881 766 E CB 0.986 30.677 29.700 -0.015 0.000 0.970 766 E HN 0.614 nan 8.360 nan 0.000 0.486 767 A N 1.622 124.463 122.820 0.036 0.000 2.515 767 A HA 0.629 4.987 4.320 0.064 0.000 0.296 767 A C -2.747 174.931 177.584 0.157 0.000 1.094 767 A CA -1.623 50.450 52.037 0.059 0.000 0.718 767 A CB 1.258 20.241 19.000 -0.027 0.000 1.307 767 A HN -0.191 nan 8.150 nan 0.000 0.408 768 P HA 0.376 nan 4.420 nan 0.000 0.271 768 P C -0.074 177.426 177.300 0.332 0.000 1.216 768 P CA 0.172 63.444 63.100 0.287 0.000 0.771 768 P CB 0.820 32.698 31.700 0.297 0.000 0.864 769 A N 3.870 126.874 122.820 0.307 0.000 2.483 769 A HA 0.229 4.587 4.320 0.064 0.000 0.238 769 A C -0.186 177.308 177.584 -0.149 0.000 1.070 769 A CA -0.075 51.995 52.037 0.054 0.000 0.770 769 A CB -0.370 18.581 19.000 -0.080 0.000 1.008 769 A HN 0.656 nan 8.150 nan 0.000 0.497 770 L N 2.210 123.135 121.223 -0.498 0.000 2.305 770 L HA 0.623 5.001 4.340 0.064 0.000 0.284 770 L C -1.647 174.705 176.870 -0.864 0.000 1.013 770 L CA -0.541 53.889 54.840 -0.683 0.000 0.819 770 L CB 0.777 42.435 42.059 -0.667 0.000 1.227 770 L HN 0.678 nan 8.230 nan 0.000 0.417 771 F N 3.708 123.423 119.950 -0.392 0.000 2.403 771 F HA 0.421 4.986 4.527 0.064 0.000 0.355 771 F C 0.154 175.779 175.800 -0.293 0.000 1.119 771 F CA -0.426 57.364 58.000 -0.351 0.000 1.007 771 F CB 1.521 40.405 39.000 -0.193 0.000 1.194 771 F HN 0.423 nan 8.300 nan 0.000 0.443 772 Q N 3.732 123.309 119.800 -0.370 0.000 2.333 772 Q HA 0.569 4.948 4.340 0.064 0.000 0.267 772 Q C -1.845 173.902 176.000 -0.422 0.000 1.012 772 Q CA -0.641 55.000 55.803 -0.269 0.000 0.824 772 Q CB 1.338 29.903 28.738 -0.288 0.000 1.290 772 Q HN 0.568 nan 8.270 nan 0.000 0.449 773 F N 2.560 122.562 119.950 0.087 0.000 2.403 773 F HA 0.310 4.875 4.527 0.064 0.000 0.355 773 F C -0.593 175.267 175.800 0.101 0.000 1.119 773 F CA -0.815 57.238 58.000 0.088 0.000 1.007 773 F CB 1.541 40.624 39.000 0.139 0.000 1.194 773 F HN 0.502 nan 8.300 nan 0.000 0.443 774 D N 4.263 124.773 120.400 0.184 0.000 2.313 774 D HA 0.415 5.093 4.640 0.064 0.000 0.239 774 D C 0.023 176.410 176.300 0.145 0.000 1.142 774 D CA -0.040 54.054 54.000 0.158 0.000 0.847 774 D CB 1.030 41.869 40.800 0.066 0.000 1.082 774 D HN 0.324 nan 8.370 nan 0.000 0.480 775 L N 1.930 123.241 121.223 0.147 0.000 2.642 775 L HA 0.364 4.742 4.340 0.064 0.000 0.229 775 L C 0.689 177.599 176.870 0.067 0.000 1.179 775 L CA -0.880 54.017 54.840 0.094 0.000 0.834 775 L CB 0.421 42.523 42.059 0.072 0.000 1.515 775 L HN 0.180 nan 8.230 nan 0.000 0.512 776 K N 0.155 120.578 120.400 0.039 0.000 2.310 776 K HA 0.208 4.567 4.320 0.064 0.000 0.290 776 K C 0.037 176.642 176.600 0.008 0.000 1.077 776 K CA 0.014 56.314 56.287 0.023 0.000 0.922 776 K CB 0.739 33.246 32.500 0.012 0.000 1.057 776 K HN 0.594 nan 8.250 nan 0.000 0.479 777 S N 0.328 116.042 115.700 0.022 0.000 3.490 777 S HA -0.159 4.349 4.470 0.064 0.000 0.301 777 S C 0.271 174.878 174.600 0.011 0.000 1.233 777 S CA 0.778 58.986 58.200 0.014 0.000 0.914 777 S CB -1.237 61.952 63.200 -0.018 0.000 1.047 777 S HN 1.034 nan 8.310 nan 0.000 0.602 778 G N -0.182 108.647 108.800 0.049 0.000 2.606 778 G HA2 0.801 4.799 3.960 0.064 0.000 0.300 778 G HA3 0.801 4.799 3.960 0.064 0.000 0.300 778 G C -1.284 173.705 174.900 0.149 0.000 1.360 778 G CA -0.162 44.945 45.100 0.011 0.000 0.783 778 G HN 0.992 nan 8.290 nan 0.000 0.484 779 F N -2.217 117.746 119.950 0.023 0.000 2.770 779 F HA 0.807 5.373 4.527 0.064 0.000 0.313 779 F C -2.279 173.528 175.800 0.012 0.000 1.154 779 F CA -1.448 56.570 58.000 0.029 0.000 0.923 779 F CB 1.707 40.713 39.000 0.009 0.000 1.301 779 F HN 0.615 nan 8.300 nan 0.000 0.449 780 L N 2.492 123.899 121.223 0.307 0.000 2.406 780 L HA 0.539 4.917 4.340 0.064 0.000 0.270 780 L C -1.221 175.749 176.870 0.166 0.000 0.982 780 L CA -0.147 54.756 54.840 0.105 0.000 0.843 780 L CB 1.938 44.032 42.059 0.058 0.000 1.225 780 L HN 0.771 nan 8.230 nan 0.000 0.412 781 Q N 4.253 124.077 119.800 0.041 0.000 2.282 781 Q HA 0.511 4.889 4.340 0.064 0.000 0.260 781 Q C -1.544 174.288 176.000 -0.279 0.000 0.964 781 Q CA -0.331 55.448 55.803 -0.040 0.000 0.880 781 Q CB 2.140 30.944 28.738 0.110 0.000 1.286 781 Q HN 0.514 nan 8.270 nan 0.000 0.445 782 F N 2.230 122.177 119.950 -0.005 0.000 2.382 782 F HA 0.370 4.935 4.527 0.064 0.000 0.361 782 F C -0.710 175.074 175.800 -0.026 0.000 1.109 782 F CA -0.603 57.446 58.000 0.083 0.000 1.031 782 F CB 0.746 39.840 39.000 0.157 0.000 1.234 782 F HN 0.452 nan 8.300 nan 0.000 0.445 783 F N 4.938 125.044 119.950 0.259 0.000 2.334 783 F HA 0.374 4.939 4.527 0.064 0.000 0.365 783 F C -0.205 175.717 175.800 0.204 0.000 1.124 783 F CA -0.668 57.454 58.000 0.204 0.000 1.166 783 F CB 0.644 39.714 39.000 0.116 0.000 1.355 783 F HN 0.221 nan 8.300 nan 0.000 0.532 784 L N 3.261 124.700 121.223 0.360 0.000 2.325 784 L HA 0.790 5.169 4.340 0.064 0.000 0.279 784 L C -0.170 176.892 176.870 0.320 0.000 1.054 784 L CA -0.582 54.420 54.840 0.270 0.000 0.804 784 L CB 1.262 43.451 42.059 0.217 0.000 1.200 784 L HN 0.538 nan 8.230 nan 0.000 0.436 785 A N 6.007 128.967 122.820 0.233 0.000 2.274 785 A HA 0.768 5.126 4.320 0.064 0.000 0.309 785 A C -2.470 175.285 177.584 0.284 0.000 1.226 785 A CA -1.412 50.767 52.037 0.236 0.000 0.853 785 A CB -0.145 18.928 19.000 0.123 0.000 1.146 785 A HN 0.620 nan 8.150 nan 0.000 0.518 786 P HA 0.176 nan 4.420 nan 0.000 0.272 786 P C -0.019 177.281 177.300 0.000 0.000 1.223 786 P CA -0.229 62.872 63.100 0.001 0.000 0.784 786 P CB 0.563 32.161 31.700 -0.170 0.000 0.923 787 K N 0.000 120.377 120.400 -0.038 0.000 2.780 787 K HA 0.000 4.358 4.320 0.064 0.000 0.191 787 K CA 0.000 56.291 56.287 0.007 0.000 0.838 787 K CB 0.000 32.508 32.500 0.014 0.000 1.064 787 K HN 0.000 nan 8.250 nan 0.000 0.543