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 2r1r_1_C DATA FIRST_RESID 5 DATA SEQUENCE LLVTKRDGST ERINLDKIHR VLDWAAEGLH NVSISQVELR SHIQFYDGIK DATA SEQUENCE TSDIHETIIK AAADLISRDA PDYQYLAARL AIFHLRKKAY GQFEPPALYD DATA SEQUENCE HVVKMVEMGK YDNHLLEDYT EEEFKQMDTF IDHDRDMTFS YAAVKQLEGK DATA SEQUENCE YLVQNRVTGE IYESAQFLYI LVAACLFSNY PRETRLQYVK RFYDAVSTFK DATA SEQUENCE ISLPTPIMSG VRTPTRQFSS cVLIECGDSL DSINATSSAI VKYVSQRAGI DATA SEQUENCE GINAGRIRAL GSPIRGGEAF HTGCIPFYKH FQTAVKSCSQ GGVRGGAATL DATA SEQUENCE FYPMWHLEVE SLLVLKNNRG VEGNRVRHMD YGVQINKLMY TRLLKGEDIT DATA SEQUENCE LFSPSDVPGL YDAFFADQEE FERLYTKYEK DDSIRKQRVK AVELFSLMMQ DATA SEQUENCE ERASTGRIYI QNVDHCNTHS PFDPAIAPVR QSNLCLEIAL PTKPLNDVND DATA SEQUENCE ENGEIALcTL SAFNLGAINN LDELEELAIL AVRALDALLD YQDYPIPAAK DATA SEQUENCE RGAMGRRTLG IGVINFAYYL AKHGKRYSDG SANNLTHKTF EAIQYYLLKA DATA SEQUENCE SNELAKEQGA CPWFNETTYA KGILPIDTYK KDLDTIANEP LHYDWEALRE DATA SEQUENCE SIKTHGLRNS TLSALMPSET SSQISNATNG IEPPRGYVSI KASKDGILRQ DATA SEQUENCE VVPDYEHLHD AYELLWEMPG NDGYLQLVGI MQKFIDQSIS ANTNYDPSRF DATA SEQUENCE PSGKVPMQQL LKDLLTAYKF GVKTLYYQNT RDG 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.842 176.870 -0.047 0.000 1.165 5 L CA 0.000 54.822 54.840 -0.031 0.000 0.813 5 L CB 0.000 42.053 42.059 -0.009 0.000 0.961 6 L N 3.538 124.727 121.223 -0.057 0.000 3.000 6 L HA -0.117 4.223 4.340 -0.000 0.000 0.682 6 L C -0.817 175.987 176.870 -0.110 0.000 1.047 6 L CA 0.080 54.882 54.840 -0.063 0.000 1.334 6 L CB -1.080 40.961 42.059 -0.030 0.000 1.859 6 L HN 0.369 nan 8.230 nan 0.000 0.890 7 V N 1.969 121.807 119.914 -0.127 0.000 2.732 7 V HA 0.691 4.811 4.120 -0.000 0.000 0.310 7 V C 0.632 176.656 176.094 -0.117 0.000 1.053 7 V CA -0.228 61.971 62.300 -0.169 0.000 0.957 7 V CB 2.433 34.142 31.823 -0.191 0.000 1.018 7 V HN 0.618 nan 8.190 nan 0.000 0.452 8 T N 3.845 118.327 114.554 -0.120 0.000 2.824 8 T HA 0.476 4.826 4.350 -0.000 0.000 0.282 8 T C -0.223 174.432 174.700 -0.075 0.000 0.993 8 T CA -0.770 61.284 62.100 -0.076 0.000 0.967 8 T CB 1.565 70.400 68.868 -0.054 0.000 0.960 8 T HN 0.526 nan 8.240 nan 0.000 0.441 9 K N 1.138 121.508 120.400 -0.051 0.000 2.646 9 K HA 0.433 4.752 4.320 -0.000 0.000 0.270 9 K C 1.501 178.087 176.600 -0.025 0.000 1.026 9 K CA -0.994 55.268 56.287 -0.041 0.000 1.043 9 K CB 0.660 33.144 32.500 -0.027 0.000 1.383 9 K HN 0.319 nan 8.250 nan 0.000 0.513 10 R N 1.131 121.624 120.500 -0.013 0.000 2.115 10 R HA -0.119 4.220 4.340 -0.000 0.000 0.230 10 R C 1.476 177.775 176.300 -0.002 0.000 1.111 10 R CA 1.289 57.387 56.100 -0.003 0.000 0.976 10 R CB -0.198 30.104 30.300 0.004 0.000 0.870 10 R HN 0.645 nan 8.270 nan 0.000 0.445 11 D N -0.437 119.961 120.400 -0.004 0.000 2.323 11 D HA -0.048 4.592 4.640 -0.000 0.000 0.209 11 D C 0.548 176.846 176.300 -0.004 0.000 0.973 11 D CA 0.998 54.996 54.000 -0.002 0.000 0.874 11 D CB 0.374 41.173 40.800 -0.001 0.000 0.930 11 D HN 0.396 nan 8.370 nan 0.000 0.521 12 G N 0.479 109.274 108.800 -0.008 0.000 2.207 12 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.216 12 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.216 12 G C -0.171 174.723 174.900 -0.010 0.000 1.053 12 G CA 0.191 45.286 45.100 -0.009 0.000 0.764 12 G HN 0.267 nan 8.290 nan 0.000 0.495 13 S N 0.344 116.035 115.700 -0.014 0.000 2.561 13 S HA 0.663 5.132 4.470 -0.000 0.000 0.303 13 S C 0.427 175.014 174.600 -0.023 0.000 1.110 13 S CA -0.044 58.147 58.200 -0.015 0.000 1.034 13 S CB 1.414 64.608 63.200 -0.010 0.000 1.010 13 S HN 0.669 nan 8.310 nan 0.000 0.482 14 T N 2.927 117.467 114.554 -0.022 0.000 2.871 14 T HA 0.227 4.577 4.350 -0.000 0.000 0.296 14 T C 0.026 174.709 174.700 -0.029 0.000 0.998 14 T CA -0.019 62.064 62.100 -0.029 0.000 1.162 14 T CB 0.201 69.057 68.868 -0.021 0.000 0.947 14 T HN 0.670 nan 8.240 nan 0.000 0.536 15 E N 1.708 121.884 120.200 -0.040 0.000 2.393 15 E HA 0.417 4.767 4.350 -0.000 0.000 0.273 15 E C -0.633 175.937 176.600 -0.050 0.000 0.918 15 E CA -1.099 55.278 56.400 -0.038 0.000 0.773 15 E CB 1.686 31.364 29.700 -0.036 0.000 1.275 15 E HN 0.502 nan 8.360 nan 0.000 0.451 16 R N 1.794 122.269 120.500 -0.042 0.000 2.582 16 R HA 0.343 4.683 4.340 -0.000 0.000 0.271 16 R C -0.001 176.262 176.300 -0.062 0.000 1.078 16 R CA -0.316 55.755 56.100 -0.047 0.000 1.127 16 R CB 0.458 30.738 30.300 -0.033 0.000 1.038 16 R HN 0.458 nan 8.270 nan 0.000 0.500 17 I N 2.341 122.865 120.570 -0.076 0.000 2.556 17 I HA -0.036 4.134 4.170 -0.000 0.000 0.284 17 I C 0.083 176.163 176.117 -0.061 0.000 1.114 17 I CA 0.305 61.548 61.300 -0.094 0.000 1.418 17 I CB 0.363 38.294 38.000 -0.114 0.000 1.394 17 I HN 0.403 nan 8.210 nan 0.000 0.552 18 N N 7.494 126.163 118.700 -0.052 0.000 2.706 18 N HA 0.257 4.997 4.740 -0.000 0.000 0.240 18 N C 0.573 176.075 175.510 -0.015 0.000 1.039 18 N CA -0.340 52.694 53.050 -0.026 0.000 0.888 18 N CB 1.757 40.236 38.487 -0.013 0.000 1.128 18 N HN 0.569 nan 8.380 nan 0.000 0.512 19 L N 0.216 121.431 121.223 -0.014 0.000 2.633 19 L HA -0.057 4.283 4.340 -0.000 0.000 0.235 19 L C 0.656 177.569 176.870 0.071 0.000 1.163 19 L CA 0.827 55.673 54.840 0.011 0.000 0.859 19 L CB 0.061 42.109 42.059 -0.018 0.000 0.973 19 L HN 0.250 nan 8.230 nan 0.000 0.451 20 D N -0.521 119.911 120.400 0.053 0.000 2.366 20 D HA -0.031 4.609 4.640 -0.000 0.000 0.205 20 D C 1.855 178.217 176.300 0.103 0.000 1.022 20 D CA 0.356 54.402 54.000 0.076 0.000 0.868 20 D CB 0.340 41.153 40.800 0.020 0.000 0.953 20 D HN 0.309 nan 8.370 nan 0.000 0.514 21 K N 0.807 121.246 120.400 0.066 0.000 2.001 21 K HA -0.035 4.284 4.320 -0.000 0.000 0.208 21 K C 2.194 178.831 176.600 0.062 0.000 1.048 21 K CA 0.661 56.978 56.287 0.050 0.000 0.932 21 K CB 0.069 32.588 32.500 0.031 0.000 0.715 21 K HN 0.053 nan 8.250 nan 0.000 0.437 22 I N 0.903 121.526 120.570 0.089 0.000 2.113 22 I HA -0.372 3.797 4.170 -0.000 0.000 0.242 22 I C 2.624 178.818 176.117 0.127 0.000 1.064 22 I CA 1.789 63.160 61.300 0.119 0.000 1.320 22 I CB -0.368 37.752 38.000 0.200 0.000 1.028 22 I HN 0.268 nan 8.210 nan 0.000 0.406 23 H N 0.879 120.004 119.070 0.091 0.000 2.321 23 H HA -0.207 4.348 4.556 -0.000 0.000 0.295 23 H C 2.443 177.798 175.328 0.046 0.000 1.102 23 H CA 2.077 58.171 56.048 0.076 0.000 1.266 23 H CB 0.007 29.812 29.762 0.072 0.000 1.363 23 H HN 0.127 nan 8.280 nan 0.000 0.492 24 R N -0.445 120.140 120.500 0.141 0.000 2.080 24 R HA -0.145 4.195 4.340 -0.000 0.000 0.236 24 R C 2.465 178.764 176.300 -0.001 0.000 1.137 24 R CA 1.738 57.878 56.100 0.067 0.000 0.943 24 R CB -0.536 29.795 30.300 0.051 0.000 0.846 24 R HN 0.212 nan 8.270 nan 0.000 0.431 25 V N 1.775 121.651 119.914 -0.063 0.000 2.231 25 V HA -0.315 3.805 4.120 -0.000 0.000 0.250 25 V C 2.418 178.539 176.094 0.046 0.000 1.058 25 V CA 2.049 64.264 62.300 -0.140 0.000 1.022 25 V CB -0.689 30.936 31.823 -0.330 0.000 0.640 25 V HN 0.289 nan 8.190 nan 0.000 0.445 26 L N -0.006 121.199 121.223 -0.030 0.000 1.990 26 L HA -0.274 4.066 4.340 -0.000 0.000 0.213 26 L C 2.461 179.281 176.870 -0.083 0.000 1.072 26 L CA 2.343 57.148 54.840 -0.058 0.000 0.755 26 L CB -0.789 41.195 42.059 -0.125 0.000 0.889 26 L HN 0.424 nan 8.230 nan 0.000 0.432 27 D N -0.917 119.392 120.400 -0.152 0.000 2.133 27 D HA -0.301 4.339 4.640 -0.000 0.000 0.192 27 D C 1.874 178.170 176.300 -0.006 0.000 1.001 27 D CA 1.745 55.676 54.000 -0.115 0.000 0.844 27 D CB -0.197 40.551 40.800 -0.087 0.000 0.944 27 D HN 0.385 nan 8.370 nan 0.000 0.447 28 W N 1.307 122.526 121.300 -0.134 0.000 2.332 28 W HA -0.179 4.481 4.660 -0.001 0.000 0.321 28 W C 2.294 178.757 176.519 -0.092 0.000 1.219 28 W CA 2.556 59.835 57.345 -0.110 0.000 1.277 28 W CB -0.887 28.488 29.460 -0.141 0.000 1.161 28 W HN 0.026 nan 8.180 nan 0.000 0.476 29 A N 1.075 123.681 122.820 -0.356 0.000 1.948 29 A HA -0.133 4.186 4.320 -0.000 0.000 0.220 29 A C 2.129 179.454 177.584 -0.432 0.000 1.177 29 A CA 2.865 54.490 52.037 -0.687 0.000 0.636 29 A CB -1.638 17.223 19.000 -0.233 0.000 0.815 29 A HN 0.630 nan 8.150 nan 0.000 0.449 30 A N -0.293 122.365 122.820 -0.270 0.000 2.067 30 A HA 0.011 4.330 4.320 -0.000 0.000 0.219 30 A C 0.854 178.295 177.584 -0.239 0.000 1.158 30 A CA 0.431 52.331 52.037 -0.229 0.000 0.661 30 A CB -0.449 18.439 19.000 -0.185 0.000 0.801 30 A HN 0.650 nan 8.150 nan 0.000 0.452 31 E N -0.758 119.290 120.200 -0.254 0.000 2.966 31 E HA 0.154 4.504 4.350 -0.000 0.000 0.254 31 E C 1.238 177.709 176.600 -0.216 0.000 0.923 31 E CA 0.600 56.871 56.400 -0.216 0.000 0.960 31 E CB -0.171 29.397 29.700 -0.219 0.000 0.901 31 E HN 0.691 nan 8.360 nan 0.000 0.525 32 G N 2.856 111.532 108.800 -0.206 0.000 2.212 32 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.266 32 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.266 32 G C 0.261 174.988 174.900 -0.288 0.000 0.978 32 G CA 0.257 45.229 45.100 -0.213 0.000 0.632 32 G HN 0.409 nan 8.290 nan 0.000 0.537 33 L N 0.117 121.163 121.223 -0.294 0.000 2.379 33 L HA 0.703 5.043 4.340 -0.000 0.000 0.269 33 L C 0.411 177.043 176.870 -0.396 0.000 1.084 33 L CA -1.076 53.617 54.840 -0.245 0.000 0.802 33 L CB 0.936 42.888 42.059 -0.178 0.000 1.175 33 L HN 0.156 nan 8.230 nan 0.000 0.448 34 H N 1.044 120.063 119.070 -0.085 0.000 2.489 34 H HA 0.341 4.896 4.556 -0.001 0.000 0.343 34 H C -0.226 175.042 175.328 -0.100 0.000 1.086 34 H CA -0.592 55.411 56.048 -0.075 0.000 1.198 34 H CB 1.167 30.907 29.762 -0.037 0.000 1.490 34 H HN 0.614 nan 8.280 nan 0.000 0.504 35 N N -0.612 118.090 118.700 0.004 0.000 2.882 35 N HA -0.165 4.575 4.740 -0.000 0.000 0.249 35 N C -0.901 174.526 175.510 -0.137 0.000 1.079 35 N CA 0.954 53.990 53.050 -0.024 0.000 0.800 35 N CB -1.030 37.471 38.487 0.024 0.000 1.124 35 N HN 0.370 nan 8.380 nan 0.000 0.557 36 V N -2.525 117.217 119.914 -0.287 0.000 2.532 36 V HA 0.853 4.973 4.120 -0.000 0.000 0.295 36 V C 0.431 176.420 176.094 -0.176 0.000 1.041 36 V CA -0.421 61.552 62.300 -0.545 0.000 0.926 36 V CB 2.125 33.462 31.823 -0.811 0.000 0.992 36 V HN 0.154 nan 8.190 nan 0.000 0.457 37 S N 4.897 120.606 115.700 0.015 0.000 2.566 37 S HA 0.465 4.934 4.470 -0.000 0.000 0.324 37 S C 0.882 175.503 174.600 0.035 0.000 1.081 37 S CA -0.833 57.387 58.200 0.033 0.000 1.105 37 S CB 0.837 64.076 63.200 0.064 0.000 0.981 37 S HN 0.667 nan 8.310 nan 0.000 0.464 38 I N 4.120 124.678 120.570 -0.021 0.000 2.151 38 I HA -0.148 4.022 4.170 -0.000 0.000 0.243 38 I C 2.520 178.623 176.117 -0.024 0.000 1.080 38 I CA 1.427 62.701 61.300 -0.044 0.000 1.339 38 I CB -1.856 36.081 38.000 -0.105 0.000 1.039 38 I HN 0.645 nan 8.210 nan 0.000 0.409 39 S N 0.765 116.465 115.700 0.001 0.000 2.369 39 S HA -0.266 4.204 4.470 -0.000 0.000 0.225 39 S C 1.855 176.425 174.600 -0.051 0.000 1.043 39 S CA 1.325 59.518 58.200 -0.012 0.000 1.074 39 S CB -0.425 62.778 63.200 0.005 0.000 0.962 39 S HN 0.460 nan 8.310 nan 0.000 0.433 40 Q N 0.702 120.489 119.800 -0.022 0.000 2.082 40 Q HA -0.133 4.207 4.340 -0.000 0.000 0.211 40 Q C 2.504 178.458 176.000 -0.076 0.000 1.002 40 Q CA 1.417 57.198 55.803 -0.037 0.000 0.868 40 Q CB -1.255 27.485 28.738 0.003 0.000 0.931 40 Q HN 0.503 nan 8.270 nan 0.000 0.414 41 V N 1.322 121.205 119.914 -0.052 0.000 2.295 41 V HA -0.247 3.872 4.120 -0.000 0.000 0.246 41 V C 2.260 178.250 176.094 -0.175 0.000 1.049 41 V CA 2.009 64.261 62.300 -0.080 0.000 1.024 41 V CB -0.606 31.206 31.823 -0.020 0.000 0.648 41 V HN 0.392 nan 8.190 nan 0.000 0.447 42 E N -0.007 120.053 120.200 -0.234 0.000 2.058 42 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 42 E C 2.279 178.493 176.600 -0.643 0.000 0.997 42 E CA 1.469 57.528 56.400 -0.568 0.000 0.801 42 E CB -0.268 29.148 29.700 -0.473 0.000 0.746 42 E HN 0.474 nan 8.360 nan 0.000 0.450 43 L N 0.509 121.533 121.223 -0.333 0.000 1.971 43 L HA -0.264 4.075 4.340 -0.000 0.000 0.215 43 L C 2.594 179.344 176.870 -0.199 0.000 1.072 43 L CA 1.593 56.302 54.840 -0.218 0.000 0.758 43 L CB -0.329 41.655 42.059 -0.125 0.000 0.889 43 L HN 0.062 nan 8.230 nan 0.000 0.433 44 R N -0.611 119.784 120.500 -0.175 0.000 2.241 44 R HA -0.108 4.232 4.340 -0.000 0.000 0.224 44 R C 2.222 178.420 176.300 -0.169 0.000 1.101 44 R CA 1.413 57.426 56.100 -0.145 0.000 0.995 44 R CB -0.161 30.065 30.300 -0.123 0.000 0.870 44 R HN 0.513 nan 8.270 nan 0.000 0.463 45 S N -1.744 113.810 115.700 -0.243 0.000 2.527 45 S HA 0.058 4.528 4.470 -0.000 0.000 0.227 45 S C 1.484 175.670 174.600 -0.691 0.000 1.059 45 S CA -0.188 57.828 58.200 -0.306 0.000 0.919 45 S CB -0.158 62.940 63.200 -0.171 0.000 0.805 45 S HN 0.391 nan 8.310 nan 0.000 0.500 46 H N 0.806 119.423 119.070 -0.756 0.000 2.387 46 H HA 0.080 4.635 4.556 -0.001 0.000 0.299 46 H C 2.039 177.050 175.328 -0.527 0.000 1.090 46 H CA 1.188 56.683 56.048 -0.921 0.000 1.332 46 H CB -0.103 29.453 29.762 -0.344 0.000 1.386 46 H HN 0.273 nan 8.280 nan 0.000 0.516 47 I N 1.655 122.128 120.570 -0.161 0.000 2.315 47 I HA -0.285 3.885 4.170 -0.000 0.000 0.251 47 I C 1.623 177.724 176.117 -0.026 0.000 1.125 47 I CA 1.582 62.843 61.300 -0.064 0.000 1.392 47 I CB -0.131 37.839 38.000 -0.051 0.000 1.065 47 I HN 0.293 nan 8.210 nan 0.000 0.424 48 Q N -0.638 119.123 119.800 -0.065 0.000 2.403 48 Q HA 0.060 4.400 4.340 -0.000 0.000 0.203 48 Q C -0.168 176.018 176.000 0.310 0.000 0.932 48 Q CA -0.135 55.724 55.803 0.093 0.000 0.945 48 Q CB -0.018 28.769 28.738 0.080 0.000 1.045 48 Q HN 0.237 nan 8.270 nan 0.000 0.511 49 F N 1.526 121.541 119.950 0.107 0.000 2.382 49 F HA 0.294 4.821 4.527 -0.001 0.000 0.331 49 F C 0.118 175.984 175.800 0.110 0.000 1.121 49 F CA -1.666 56.350 58.000 0.026 0.000 1.183 49 F CB 0.189 39.157 39.000 -0.053 0.000 1.207 49 F HN -0.007 nan 8.300 nan 0.000 0.555 50 Y N -1.897 118.500 120.300 0.161 0.000 2.592 50 Y HA 0.449 4.999 4.550 -0.000 0.000 0.334 50 Y C -1.236 174.674 175.900 0.017 0.000 1.136 50 Y CA -1.980 56.164 58.100 0.073 0.000 1.042 50 Y CB 0.339 38.835 38.460 0.060 0.000 1.325 50 Y HN 0.335 nan 8.280 nan 0.000 0.457 51 D N 1.840 122.339 120.400 0.167 0.000 2.472 51 D HA 0.394 5.034 4.640 -0.000 0.000 0.248 51 D C 1.050 177.420 176.300 0.116 0.000 1.174 51 D CA 2.622 56.666 54.000 0.074 0.000 0.883 51 D CB 0.666 41.515 40.800 0.081 0.000 1.149 51 D HN 1.145 nan 8.370 nan 0.000 0.488 52 G N 2.875 111.662 108.800 -0.022 0.000 2.148 52 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.203 52 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.203 52 G C 0.474 175.310 174.900 -0.106 0.000 0.993 52 G CA -0.340 44.762 45.100 0.004 0.000 0.661 52 G HN 0.594 nan 8.290 nan 0.000 0.518 53 I N 2.210 122.533 120.570 -0.412 0.000 2.581 53 I HA 0.323 4.492 4.170 -0.000 0.000 0.285 53 I C 1.074 176.989 176.117 -0.336 0.000 1.129 53 I CA -0.379 60.525 61.300 -0.661 0.000 1.397 53 I CB 0.187 37.638 38.000 -0.916 0.000 1.399 53 I HN 0.215 nan 8.210 nan 0.000 0.537 54 K N 4.999 125.276 120.400 -0.205 0.000 2.469 54 K HA 0.064 4.384 4.320 -0.000 0.000 0.274 54 K C 1.146 177.622 176.600 -0.206 0.000 0.983 54 K CA 0.210 56.413 56.287 -0.140 0.000 0.974 54 K CB -0.036 32.429 32.500 -0.058 0.000 0.913 54 K HN 0.655 nan 8.250 nan 0.000 0.493 55 T N -0.277 114.163 114.554 -0.189 0.000 2.708 55 T HA -0.256 4.094 4.350 -0.000 0.000 0.266 55 T C 2.197 176.692 174.700 -0.343 0.000 1.037 55 T CA 1.650 63.587 62.100 -0.272 0.000 1.146 55 T CB -0.445 68.306 68.868 -0.196 0.000 0.865 55 T HN 0.770 nan 8.240 nan 0.000 0.435 56 S N 2.655 118.264 115.700 -0.152 0.000 2.368 56 S HA -0.312 4.158 4.470 -0.000 0.000 0.226 56 S C 1.711 176.257 174.600 -0.089 0.000 1.044 56 S CA 1.973 60.164 58.200 -0.015 0.000 1.062 56 S CB -1.016 62.252 63.200 0.115 0.000 0.931 56 S HN 0.393 nan 8.310 nan 0.000 0.440 57 D N 1.909 122.263 120.400 -0.076 0.000 2.133 57 D HA -0.094 4.546 4.640 -0.000 0.000 0.192 57 D C 2.064 178.328 176.300 -0.061 0.000 1.001 57 D CA 1.486 55.459 54.000 -0.045 0.000 0.844 57 D CB -0.481 40.298 40.800 -0.034 0.000 0.944 57 D HN 0.424 nan 8.370 nan 0.000 0.447 58 I N 0.612 121.065 120.570 -0.195 0.000 2.151 58 I HA -0.291 3.878 4.170 -0.000 0.000 0.243 58 I C 2.170 178.297 176.117 0.016 0.000 1.080 58 I CA 1.611 62.798 61.300 -0.190 0.000 1.339 58 I CB -1.309 36.442 38.000 -0.416 0.000 1.039 58 I HN 0.277 nan 8.210 nan 0.000 0.409 59 H N 0.587 119.644 119.070 -0.021 0.000 2.293 59 H HA -0.127 4.428 4.556 -0.001 0.000 0.300 59 H C 2.244 177.516 175.328 -0.092 0.000 1.082 59 H CA 1.046 57.062 56.048 -0.053 0.000 1.308 59 H CB 0.056 29.716 29.762 -0.171 0.000 1.375 59 H HN 0.278 nan 8.280 nan 0.000 0.495 60 E N 0.487 120.670 120.200 -0.027 0.000 2.086 60 E HA -0.182 4.168 4.350 -0.000 0.000 0.200 60 E C 2.313 178.949 176.600 0.060 0.000 1.012 60 E CA 1.754 58.151 56.400 -0.005 0.000 0.812 60 E CB -0.715 28.990 29.700 0.008 0.000 0.743 60 E HN 0.501 nan 8.360 nan 0.000 0.453 61 T N 2.240 116.857 114.554 0.106 0.000 2.684 61 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 61 T C 2.223 176.984 174.700 0.102 0.000 1.036 61 T CA 1.723 63.902 62.100 0.133 0.000 1.148 61 T CB -0.404 68.620 68.868 0.260 0.000 0.863 61 T HN 0.405 nan 8.240 nan 0.000 0.436 62 I N -0.746 119.908 120.570 0.140 0.000 2.353 62 I HA 0.027 4.197 4.170 -0.000 0.000 0.248 62 I C 2.230 178.367 176.117 0.033 0.000 1.119 62 I CA 1.127 62.485 61.300 0.096 0.000 1.417 62 I CB -0.643 37.445 38.000 0.147 0.000 1.078 62 I HN 0.114 nan 8.210 nan 0.000 0.421 63 I N 1.414 122.008 120.570 0.040 0.000 2.099 63 I HA -0.282 3.888 4.170 -0.000 0.000 0.239 63 I C 2.809 178.863 176.117 -0.105 0.000 1.066 63 I CA 1.715 63.005 61.300 -0.015 0.000 1.324 63 I CB -0.516 37.516 38.000 0.052 0.000 1.037 63 I HN 0.215 nan 8.210 nan 0.000 0.401 64 K N 0.665 121.041 120.400 -0.040 0.000 2.044 64 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 64 K C 2.229 178.771 176.600 -0.096 0.000 1.049 64 K CA 1.758 58.013 56.287 -0.054 0.000 0.927 64 K CB -0.299 32.203 32.500 0.004 0.000 0.713 64 K HN 0.357 nan 8.250 nan 0.000 0.443 65 A N 1.291 124.067 122.820 -0.073 0.000 1.865 65 A HA -0.203 4.116 4.320 -0.000 0.000 0.217 65 A C 2.356 179.855 177.584 -0.142 0.000 1.191 65 A CA 2.270 54.248 52.037 -0.098 0.000 0.623 65 A CB -0.796 18.158 19.000 -0.078 0.000 0.826 65 A HN 0.415 nan 8.150 nan 0.000 0.444 66 A N -0.245 122.508 122.820 -0.112 0.000 1.883 66 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 66 A C 2.548 180.020 177.584 -0.187 0.000 1.186 66 A CA 2.440 54.428 52.037 -0.081 0.000 0.624 66 A CB -1.174 17.811 19.000 -0.025 0.000 0.822 66 A HN 1.206 nan 8.150 nan 0.000 0.444 67 A N -0.256 122.384 122.820 -0.301 0.000 1.940 67 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 67 A C 1.668 179.119 177.584 -0.222 0.000 1.176 67 A CA 1.873 53.676 52.037 -0.389 0.000 0.631 67 A CB -0.580 18.047 19.000 -0.622 0.000 0.814 67 A HN 0.466 nan 8.150 nan 0.000 0.446 68 D N -0.313 119.970 120.400 -0.196 0.000 2.350 68 D HA -0.017 4.622 4.640 -0.000 0.000 0.216 68 D C 1.382 177.541 176.300 -0.235 0.000 0.968 68 D CA 0.682 54.583 54.000 -0.165 0.000 0.894 68 D CB -0.071 40.650 40.800 -0.132 0.000 0.909 68 D HN 0.492 nan 8.370 nan 0.000 0.520 69 L N 0.392 121.384 121.223 -0.384 0.000 2.607 69 L HA 0.213 4.553 4.340 -0.000 0.000 0.228 69 L C 0.694 177.291 176.870 -0.455 0.000 1.123 69 L CA -0.218 54.270 54.840 -0.587 0.000 0.890 69 L CB 0.175 41.505 42.059 -1.215 0.000 1.103 69 L HN -0.165 nan 8.230 nan 0.000 0.468 70 I N 0.735 121.167 120.570 -0.229 0.000 2.668 70 I HA -0.032 4.138 4.170 -0.000 0.000 0.285 70 I C 0.782 176.849 176.117 -0.083 0.000 1.168 70 I CA 0.668 61.924 61.300 -0.074 0.000 1.424 70 I CB 0.425 38.397 38.000 -0.047 0.000 1.377 70 I HN 0.238 nan 8.210 nan 0.000 0.560 71 S N 5.657 121.325 115.700 -0.053 0.000 2.672 71 S HA 0.464 4.934 4.470 -0.000 0.000 0.271 71 S C 0.482 175.003 174.600 -0.133 0.000 1.171 71 S CA -1.091 57.057 58.200 -0.087 0.000 0.817 71 S CB 1.477 64.634 63.200 -0.071 0.000 1.150 71 S HN 0.645 nan 8.310 nan 0.000 0.478 72 R N 0.564 120.941 120.500 -0.205 0.000 2.153 72 R HA 0.138 4.478 4.340 -0.000 0.000 0.218 72 R C 0.432 176.642 176.300 -0.150 0.000 1.072 72 R CA 1.202 57.061 56.100 -0.401 0.000 0.990 72 R CB -0.579 29.373 30.300 -0.580 0.000 0.889 72 R HN 0.670 nan 8.270 nan 0.000 0.452 73 D N 1.239 121.604 120.400 -0.058 0.000 2.289 73 D HA 0.049 4.689 4.640 -0.000 0.000 0.207 73 D C 0.243 176.568 176.300 0.042 0.000 0.966 73 D CA 0.655 54.659 54.000 0.007 0.000 0.868 73 D CB 0.494 41.293 40.800 -0.002 0.000 0.943 73 D HN 0.256 nan 8.370 nan 0.000 0.514 74 A N 1.700 124.556 122.820 0.061 0.000 3.007 74 A HA 0.363 4.682 4.320 -0.000 0.000 0.314 74 A C -2.180 175.487 177.584 0.138 0.000 1.153 74 A CA -0.939 51.177 52.037 0.131 0.000 0.780 74 A CB 1.311 20.482 19.000 0.286 0.000 1.258 74 A HN -0.183 nan 8.150 nan 0.000 0.460 75 P HA 0.011 nan 4.420 nan 0.000 0.230 75 P C 0.339 177.654 177.300 0.025 0.000 1.168 75 P CA 0.866 63.983 63.100 0.027 0.000 0.793 75 P CB 0.366 32.082 31.700 0.028 0.000 0.851 76 D N -1.378 119.043 120.400 0.035 0.000 2.392 76 D HA -0.093 4.547 4.640 -0.000 0.000 0.228 76 D C 1.402 177.658 176.300 -0.073 0.000 1.003 76 D CA 0.626 54.648 54.000 0.037 0.000 0.917 76 D CB -0.645 40.161 40.800 0.010 0.000 0.890 76 D HN 0.185 nan 8.370 nan 0.000 0.532 77 Y N 0.966 121.238 120.300 -0.047 0.000 2.293 77 Y HA -0.130 4.420 4.550 -0.000 0.000 0.291 77 Y C 2.434 178.255 175.900 -0.131 0.000 1.137 77 Y CA 0.884 58.932 58.100 -0.086 0.000 1.202 77 Y CB -0.170 38.231 38.460 -0.099 0.000 0.990 77 Y HN 0.024 nan 8.280 nan 0.000 0.537 78 Q N -0.950 118.816 119.800 -0.057 0.000 2.062 78 Q HA -0.281 4.058 4.340 -0.000 0.000 0.209 78 Q C 1.782 177.638 176.000 -0.241 0.000 0.996 78 Q CA 2.398 58.070 55.803 -0.218 0.000 0.859 78 Q CB -0.405 28.029 28.738 -0.508 0.000 0.920 78 Q HN 0.567 nan 8.270 nan 0.000 0.415 79 Y N -0.542 119.786 120.300 0.047 0.000 2.337 79 Y HA -0.144 4.406 4.550 -0.000 0.000 0.293 79 Y C 1.919 177.812 175.900 -0.012 0.000 1.123 79 Y CA 0.535 58.654 58.100 0.031 0.000 1.201 79 Y CB -0.410 38.045 38.460 -0.008 0.000 1.011 79 Y HN 0.168 nan 8.280 nan 0.000 0.545 80 L N 0.474 121.730 121.223 0.056 0.000 2.046 80 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 80 L C 2.323 179.200 176.870 0.013 0.000 1.077 80 L CA 2.021 56.852 54.840 -0.015 0.000 0.747 80 L CB -1.128 40.891 42.059 -0.066 0.000 0.896 80 L HN 0.121 nan 8.230 nan 0.000 0.432 81 A N -0.388 122.422 122.820 -0.018 0.000 1.877 81 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 81 A C 2.467 180.092 177.584 0.068 0.000 1.186 81 A CA 1.948 53.906 52.037 -0.131 0.000 0.620 81 A CB -1.278 17.410 19.000 -0.519 0.000 0.822 81 A HN 0.598 nan 8.150 nan 0.000 0.443 82 A N 0.039 122.986 122.820 0.212 0.000 1.859 82 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 82 A C 2.236 180.008 177.584 0.313 0.000 1.198 82 A CA 1.848 54.097 52.037 0.354 0.000 0.629 82 A CB -0.627 18.578 19.000 0.341 0.000 0.830 82 A HN 0.559 nan 8.150 nan 0.000 0.446 83 R N -0.550 120.098 120.500 0.247 0.000 2.094 83 R HA -0.157 4.182 4.340 -0.000 0.000 0.239 83 R C 2.156 178.695 176.300 0.399 0.000 1.137 83 R CA 1.756 58.007 56.100 0.252 0.000 0.943 83 R CB -0.766 29.491 30.300 -0.072 0.000 0.850 83 R HN 0.547 nan 8.270 nan 0.000 0.433 84 L N 0.215 121.611 121.223 0.287 0.000 2.043 84 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 84 L C 2.736 179.823 176.870 0.361 0.000 1.075 84 L CA 1.543 56.562 54.840 0.299 0.000 0.752 84 L CB -0.670 41.478 42.059 0.149 0.000 0.891 84 L HN 0.306 nan 8.230 nan 0.000 0.432 85 A N -0.077 122.942 122.820 0.333 0.000 1.930 85 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 85 A C 2.220 180.009 177.584 0.342 0.000 1.175 85 A CA 1.229 53.476 52.037 0.351 0.000 0.627 85 A CB -0.463 18.756 19.000 0.365 0.000 0.815 85 A HN 0.259 nan 8.150 nan 0.000 0.443 86 I N -1.181 119.603 120.570 0.356 0.000 2.127 86 I HA -0.243 3.926 4.170 -0.000 0.000 0.241 86 I C 2.338 178.664 176.117 0.349 0.000 1.075 86 I CA 1.603 63.098 61.300 0.324 0.000 1.334 86 I CB -1.491 36.752 38.000 0.404 0.000 1.040 86 I HN 0.482 nan 8.210 nan 0.000 0.405 87 F N 1.657 121.840 119.950 0.389 0.000 2.063 87 F HA -0.368 4.158 4.527 -0.001 0.000 0.298 87 F C 2.882 178.776 175.800 0.157 0.000 1.109 87 F CA 2.575 60.802 58.000 0.379 0.000 1.212 87 F CB -0.701 38.478 39.000 0.298 0.000 0.973 87 F HN 0.229 nan 8.300 nan 0.000 0.480 88 H N 0.215 119.399 119.070 0.190 0.000 2.289 88 H HA -0.195 4.361 4.556 -0.001 0.000 0.296 88 H C 2.116 177.411 175.328 -0.055 0.000 1.091 88 H CA 2.673 58.709 56.048 -0.020 0.000 1.274 88 H CB -0.704 29.104 29.762 0.077 0.000 1.364 88 H HN 0.399 nan 8.280 nan 0.000 0.490 89 L N -0.272 120.858 121.223 -0.155 0.000 2.042 89 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 89 L C 2.883 179.558 176.870 -0.326 0.000 1.076 89 L CA 1.223 55.906 54.840 -0.263 0.000 0.749 89 L CB -0.439 41.548 42.059 -0.120 0.000 0.893 89 L HN 0.267 nan 8.230 nan 0.000 0.432 90 R N 0.484 120.823 120.500 -0.269 0.000 2.122 90 R HA -0.239 4.101 4.340 -0.000 0.000 0.236 90 R C 2.218 178.316 176.300 -0.337 0.000 1.129 90 R CA 1.665 57.565 56.100 -0.333 0.000 0.925 90 R CB -0.812 29.261 30.300 -0.378 0.000 0.850 90 R HN 0.344 nan 8.270 nan 0.000 0.431 91 K N 1.131 121.331 120.400 -0.334 0.000 2.074 91 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 91 K C 2.137 178.608 176.600 -0.215 0.000 1.048 91 K CA 1.873 58.016 56.287 -0.240 0.000 0.926 91 K CB -0.110 32.254 32.500 -0.226 0.000 0.713 91 K HN 0.037 nan 8.250 nan 0.000 0.444 92 K N -0.265 119.948 120.400 -0.311 0.000 2.103 92 K HA -0.150 4.169 4.320 -0.000 0.000 0.207 92 K C 1.737 178.171 176.600 -0.276 0.000 1.048 92 K CA 1.439 57.547 56.287 -0.298 0.000 0.930 92 K CB -0.079 32.167 32.500 -0.423 0.000 0.716 92 K HN 0.232 nan 8.250 nan 0.000 0.444 93 A N -0.650 121.930 122.820 -0.400 0.000 1.924 93 A HA 0.037 4.356 4.320 -0.000 0.000 0.211 93 A C 1.298 178.701 177.584 -0.302 0.000 1.198 93 A CA 0.535 52.296 52.037 -0.460 0.000 0.657 93 A CB -0.222 18.290 19.000 -0.814 0.000 0.852 93 A HN 0.360 nan 8.150 nan 0.000 0.454 94 Y N -1.458 118.811 120.300 -0.051 0.000 2.498 94 Y HA 0.391 4.941 4.550 -0.000 0.000 0.259 94 Y C 1.937 177.813 175.900 -0.039 0.000 1.086 94 Y CA -0.208 57.873 58.100 -0.032 0.000 1.287 94 Y CB -0.075 38.341 38.460 -0.073 0.000 1.146 94 Y HN 0.430 nan 8.280 nan 0.000 0.523 95 G N 0.461 109.287 108.800 0.045 0.000 2.175 95 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.244 95 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.244 95 G C 0.048 174.956 174.900 0.013 0.000 0.982 95 G CA 0.296 45.407 45.100 0.019 0.000 0.641 95 G HN 0.486 nan 8.290 nan 0.000 0.527 96 Q N -2.142 117.670 119.800 0.021 0.000 2.575 96 Q HA 0.684 5.024 4.340 -0.000 0.000 0.290 96 Q C 0.513 176.508 176.000 -0.008 0.000 0.963 96 Q CA -0.840 54.968 55.803 0.007 0.000 0.783 96 Q CB 0.444 29.198 28.738 0.027 0.000 1.467 96 Q HN 0.385 nan 8.270 nan 0.000 0.402 97 F N 1.156 120.993 119.950 -0.189 0.000 2.134 97 F HA 0.013 4.540 4.527 -0.001 0.000 0.299 97 F C 0.706 176.445 175.800 -0.103 0.000 1.097 97 F CA 1.295 59.162 58.000 -0.222 0.000 1.264 97 F CB 0.420 39.277 39.000 -0.238 0.000 1.001 97 F HN 0.535 nan 8.300 nan 0.000 0.479 98 E N 3.041 123.222 120.200 -0.033 0.000 2.265 98 E HA 0.093 4.443 4.350 -0.000 0.000 0.272 98 E C -2.267 174.144 176.600 -0.315 0.000 1.067 98 E CA -1.935 54.366 56.400 -0.165 0.000 0.900 98 E CB 0.173 29.849 29.700 -0.040 0.000 1.017 98 E HN 0.103 nan 8.360 nan 0.000 0.431 99 P HA 0.116 nan 4.420 nan 0.000 0.271 99 P C -2.282 174.674 177.300 -0.573 0.000 1.216 99 P CA -1.141 61.374 63.100 -0.975 0.000 0.771 99 P CB -0.173 30.732 31.700 -1.325 0.000 0.864 100 P HA 0.029 nan 4.420 nan 0.000 0.272 100 P C -0.413 176.879 177.300 -0.012 0.000 1.248 100 P CA -0.154 62.839 63.100 -0.179 0.000 0.799 100 P CB 0.270 31.902 31.700 -0.113 0.000 0.997 101 A N 0.766 123.596 122.820 0.018 0.000 2.450 101 A HA 0.096 4.416 4.320 -0.000 0.000 0.255 101 A C 1.413 179.029 177.584 0.054 0.000 1.096 101 A CA -0.459 51.621 52.037 0.071 0.000 0.778 101 A CB -0.598 18.437 19.000 0.057 0.000 1.031 101 A HN 0.629 nan 8.150 nan 0.000 0.494 102 L N 3.498 124.774 121.223 0.089 0.000 2.040 102 L HA -0.292 4.048 4.340 -0.000 0.000 0.228 102 L C 2.024 178.813 176.870 -0.135 0.000 1.092 102 L CA 3.018 57.816 54.840 -0.070 0.000 0.805 102 L CB -1.199 40.913 42.059 0.088 0.000 0.905 102 L HN 0.877 nan 8.230 nan 0.000 0.443 103 Y N 0.685 120.879 120.300 -0.177 0.000 2.081 103 Y HA -0.320 4.230 4.550 -0.000 0.000 0.280 103 Y C 2.438 178.181 175.900 -0.263 0.000 1.163 103 Y CA 2.264 60.181 58.100 -0.305 0.000 1.135 103 Y CB -0.623 37.758 38.460 -0.132 0.000 0.970 103 Y HN 0.431 nan 8.280 nan 0.000 0.498 104 D N -1.229 119.091 120.400 -0.132 0.000 2.106 104 D HA -0.264 4.375 4.640 -0.000 0.000 0.191 104 D C 2.043 178.200 176.300 -0.237 0.000 0.997 104 D CA 2.062 55.953 54.000 -0.181 0.000 0.834 104 D CB -0.866 39.906 40.800 -0.047 0.000 0.956 104 D HN 0.534 nan 8.370 nan 0.000 0.448 105 H N 1.064 119.956 119.070 -0.297 0.000 2.251 105 H HA -0.135 4.421 4.556 -0.001 0.000 0.294 105 H C 2.122 177.233 175.328 -0.361 0.000 1.078 105 H CA 2.283 58.137 56.048 -0.325 0.000 1.246 105 H CB -0.495 28.967 29.762 -0.500 0.000 1.358 105 H HN -0.093 nan 8.280 nan 0.000 0.488 106 V N -0.107 119.551 119.914 -0.425 0.000 2.231 106 V HA -0.346 3.774 4.120 -0.000 0.000 0.250 106 V C 2.737 178.560 176.094 -0.452 0.000 1.058 106 V CA 1.918 63.985 62.300 -0.388 0.000 1.022 106 V CB -1.069 30.410 31.823 -0.573 0.000 0.640 106 V HN 0.387 nan 8.190 nan 0.000 0.445 107 V N -0.137 119.433 119.914 -0.574 0.000 2.222 107 V HA -0.437 3.682 4.120 -0.000 0.000 0.252 107 V C 2.465 178.344 176.094 -0.359 0.000 1.060 107 V CA 2.844 64.854 62.300 -0.484 0.000 1.027 107 V CB -0.770 30.705 31.823 -0.580 0.000 0.644 107 V HN 0.606 nan 8.190 nan 0.000 0.448 108 K N -1.123 119.063 120.400 -0.356 0.000 2.020 108 K HA -0.245 4.075 4.320 -0.000 0.000 0.212 108 K C 2.238 178.607 176.600 -0.386 0.000 1.050 108 K CA 2.011 58.111 56.287 -0.311 0.000 0.929 108 K CB -0.196 32.144 32.500 -0.267 0.000 0.714 108 K HN 0.245 nan 8.250 nan 0.000 0.443 109 M N 0.634 119.893 119.600 -0.568 0.000 2.108 109 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 109 M C 2.280 178.310 176.300 -0.451 0.000 1.066 109 M CA 1.222 56.091 55.300 -0.718 0.000 1.107 109 M CB -0.904 30.856 32.600 -1.400 0.000 1.356 109 M HN 0.039 nan 8.290 nan 0.000 0.406 110 V N 0.358 120.092 119.914 -0.300 0.000 2.332 110 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 110 V C 2.226 178.230 176.094 -0.151 0.000 1.055 110 V CA 1.825 64.035 62.300 -0.149 0.000 1.038 110 V CB -0.895 30.861 31.823 -0.112 0.000 0.651 110 V HN 0.495 nan 8.190 nan 0.000 0.450 111 E N -0.221 119.870 120.200 -0.182 0.000 2.110 111 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 111 E C 2.122 178.631 176.600 -0.153 0.000 0.988 111 E CA 1.301 57.612 56.400 -0.148 0.000 0.804 111 E CB -0.222 29.389 29.700 -0.148 0.000 0.745 111 E HN 0.546 nan 8.360 nan 0.000 0.458 112 M N -0.516 118.956 119.600 -0.214 0.000 2.562 112 M HA 0.052 4.531 4.480 -0.000 0.000 0.257 112 M C 1.063 177.247 176.300 -0.194 0.000 1.099 112 M CA 0.822 55.986 55.300 -0.226 0.000 1.099 112 M CB 0.325 32.717 32.600 -0.346 0.000 1.427 112 M HN 0.278 nan 8.290 nan 0.000 0.489 113 G N 1.063 109.766 108.800 -0.162 0.000 2.182 113 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.248 113 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.248 113 G C 0.730 175.575 174.900 -0.092 0.000 1.042 113 G CA 0.123 45.164 45.100 -0.098 0.000 0.775 113 G HN 0.344 nan 8.290 nan 0.000 0.501 114 K N -1.288 119.017 120.400 -0.159 0.000 2.335 114 K HA 0.224 4.544 4.320 -0.000 0.000 0.195 114 K C 0.366 177.031 176.600 0.110 0.000 1.058 114 K CA 0.453 56.675 56.287 -0.108 0.000 0.988 114 K CB 0.526 32.842 32.500 -0.306 0.000 0.880 114 K HN 0.418 nan 8.250 nan 0.000 0.513 115 Y N 1.423 121.681 120.300 -0.070 0.000 2.487 115 Y HA 0.230 4.779 4.550 -0.001 0.000 0.337 115 Y C 0.493 176.405 175.900 0.021 0.000 1.076 115 Y CA -2.419 55.671 58.100 -0.017 0.000 1.115 115 Y CB 0.608 39.028 38.460 -0.067 0.000 1.235 115 Y HN -0.060 nan 8.280 nan 0.000 0.468 116 D N 1.847 122.396 120.400 0.248 0.000 2.455 116 D HA -0.072 4.568 4.640 -0.000 0.000 0.241 116 D C 0.912 177.328 176.300 0.194 0.000 1.138 116 D CA 0.182 54.325 54.000 0.238 0.000 0.877 116 D CB 0.844 41.882 40.800 0.397 0.000 1.187 116 D HN 0.731 nan 8.370 nan 0.000 0.451 117 N N 3.394 122.186 118.700 0.155 0.000 2.270 117 N HA -0.260 4.480 4.740 -0.000 0.000 0.181 117 N C 1.702 177.289 175.510 0.130 0.000 1.016 117 N CA 1.193 54.307 53.050 0.106 0.000 0.870 117 N CB -0.749 37.782 38.487 0.074 0.000 0.979 117 N HN 0.701 nan 8.380 nan 0.000 0.431 118 H N 1.078 120.212 119.070 0.107 0.000 2.431 118 H HA -0.062 4.494 4.556 -0.000 0.000 0.297 118 H C 2.128 177.568 175.328 0.186 0.000 1.115 118 H CA 1.396 57.520 56.048 0.125 0.000 1.277 118 H CB -0.518 29.318 29.762 0.123 0.000 1.372 118 H HN 0.142 nan 8.280 nan 0.000 0.516 119 L N -0.082 120.879 121.223 -0.438 0.000 2.043 119 L HA -0.189 4.150 4.340 -0.000 0.000 0.212 119 L C 2.526 179.557 176.870 0.269 0.000 1.075 119 L CA 1.372 56.130 54.840 -0.137 0.000 0.752 119 L CB -0.300 41.775 42.059 0.027 0.000 0.891 119 L HN 0.411 nan 8.230 nan 0.000 0.432 120 L N -1.074 120.267 121.223 0.196 0.000 2.240 120 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 120 L C 2.420 179.421 176.870 0.218 0.000 1.106 120 L CA 0.785 55.785 54.840 0.267 0.000 0.793 120 L CB -0.333 41.791 42.059 0.107 0.000 0.927 120 L HN 0.314 nan 8.230 nan 0.000 0.446 121 E N 0.025 120.306 120.200 0.135 0.000 2.072 121 E HA -0.173 4.176 4.350 -0.000 0.000 0.190 121 E C 1.363 177.999 176.600 0.060 0.000 0.982 121 E CA 1.026 57.486 56.400 0.100 0.000 0.803 121 E CB 0.026 29.786 29.700 0.100 0.000 0.755 121 E HN 0.444 nan 8.360 nan 0.000 0.453 122 D N -0.368 120.048 120.400 0.026 0.000 2.162 122 D HA -0.025 4.614 4.640 -0.000 0.000 0.203 122 D C -0.019 176.070 176.300 -0.350 0.000 0.967 122 D CA 0.992 54.903 54.000 -0.149 0.000 0.840 122 D CB 0.117 40.812 40.800 -0.174 0.000 0.972 122 D HN 0.099 nan 8.370 nan 0.000 0.482 123 Y N -0.002 120.257 120.300 -0.069 0.000 2.409 123 Y HA 0.285 4.834 4.550 -0.000 0.000 0.339 123 Y C 1.001 176.875 175.900 -0.043 0.000 1.033 123 Y CA -1.046 56.909 58.100 -0.242 0.000 1.094 123 Y CB 1.516 39.465 38.460 -0.852 0.000 1.210 123 Y HN -0.297 nan 8.280 nan 0.000 0.456 124 T N -1.736 112.866 114.554 0.080 0.000 2.849 124 T HA 0.123 4.473 4.350 -0.000 0.000 0.284 124 T C 1.134 175.952 174.700 0.196 0.000 1.004 124 T CA -0.428 61.750 62.100 0.130 0.000 1.021 124 T CB 1.262 70.154 68.868 0.039 0.000 1.013 124 T HN 0.889 nan 8.240 nan 0.000 0.527 125 E N 0.242 120.496 120.200 0.090 0.000 2.085 125 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 125 E C 1.647 178.130 176.600 -0.193 0.000 0.994 125 E CA 1.619 57.848 56.400 -0.285 0.000 0.801 125 E CB -0.065 29.277 29.700 -0.598 0.000 0.743 125 E HN 0.765 nan 8.360 nan 0.000 0.453 126 E N 0.788 120.924 120.200 -0.107 0.000 2.072 126 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 126 E C 1.885 178.447 176.600 -0.064 0.000 0.985 126 E CA 1.206 57.556 56.400 -0.084 0.000 0.801 126 E CB -0.122 29.543 29.700 -0.060 0.000 0.750 126 E HN 0.370 nan 8.360 nan 0.000 0.452 127 E N -0.524 119.646 120.200 -0.049 0.000 2.051 127 E HA -0.166 4.183 4.350 -0.000 0.000 0.192 127 E C 1.793 178.295 176.600 -0.164 0.000 0.991 127 E CA 0.923 57.271 56.400 -0.087 0.000 0.799 127 E CB -0.226 29.455 29.700 -0.031 0.000 0.748 127 E HN 0.205 nan 8.360 nan 0.000 0.449 128 F N 1.508 121.442 119.950 -0.026 0.000 2.095 128 F HA -0.188 4.338 4.527 -0.001 0.000 0.298 128 F C 2.256 177.992 175.800 -0.106 0.000 1.104 128 F CA 1.265 59.237 58.000 -0.047 0.000 1.232 128 F CB -0.279 38.803 39.000 0.137 0.000 0.987 128 F HN -0.122 nan 8.300 nan 0.000 0.475 129 K N -0.224 120.210 120.400 0.056 0.000 2.113 129 K HA -0.284 4.036 4.320 -0.000 0.000 0.208 129 K C 2.104 178.623 176.600 -0.136 0.000 1.047 129 K CA 1.776 58.039 56.287 -0.041 0.000 0.928 129 K CB -0.353 32.102 32.500 -0.075 0.000 0.716 129 K HN 0.381 nan 8.250 nan 0.000 0.446 130 Q N 0.499 120.180 119.800 -0.199 0.000 2.049 130 Q HA -0.050 4.290 4.340 -0.000 0.000 0.198 130 Q C 2.146 177.691 176.000 -0.759 0.000 0.971 130 Q CA 1.132 56.719 55.803 -0.360 0.000 0.833 130 Q CB 0.082 28.660 28.738 -0.265 0.000 0.896 130 Q HN 0.241 nan 8.270 nan 0.000 0.434 131 M N 0.528 119.732 119.600 -0.660 0.000 2.082 131 M HA -0.252 4.228 4.480 -0.000 0.000 0.258 131 M C 1.828 177.814 176.300 -0.523 0.000 1.069 131 M CA 1.594 56.446 55.300 -0.746 0.000 1.102 131 M CB -0.399 32.033 32.600 -0.280 0.000 1.336 131 M HN 0.255 nan 8.290 nan 0.000 0.404 132 D N 0.046 120.302 120.400 -0.241 0.000 2.149 132 D HA -0.189 4.451 4.640 -0.000 0.000 0.194 132 D C 1.934 178.154 176.300 -0.132 0.000 1.001 132 D CA 2.229 56.174 54.000 -0.092 0.000 0.849 132 D CB -0.159 40.642 40.800 0.002 0.000 0.939 132 D HN 0.489 nan 8.370 nan 0.000 0.449 133 T N -1.811 112.605 114.554 -0.229 0.000 2.881 133 T HA -0.157 4.193 4.350 -0.000 0.000 0.270 133 T C 1.985 176.668 174.700 -0.028 0.000 1.068 133 T CA 0.790 62.810 62.100 -0.133 0.000 1.131 133 T CB -0.577 68.212 68.868 -0.132 0.000 0.871 133 T HN -0.035 nan 8.240 nan 0.000 0.479 134 F N 1.889 121.779 119.950 -0.100 0.000 2.113 134 F HA 0.347 4.873 4.527 -0.001 0.000 0.297 134 F C 1.506 177.189 175.800 -0.195 0.000 1.103 134 F CA -1.263 56.650 58.000 -0.145 0.000 1.248 134 F CB -1.248 37.610 39.000 -0.237 0.000 0.999 134 F HN 0.172 nan 8.300 nan 0.000 0.475 135 I N 1.877 122.360 120.570 -0.145 0.000 2.919 135 I HA -0.154 4.015 4.170 -0.000 0.000 0.303 135 I C 0.037 176.122 176.117 -0.054 0.000 1.221 135 I CA 0.706 61.868 61.300 -0.231 0.000 1.444 135 I CB -0.046 37.781 38.000 -0.288 0.000 1.331 135 I HN 0.040 nan 8.210 nan 0.000 0.572 136 D N 5.618 126.032 120.400 0.025 0.000 2.420 136 D HA 0.156 4.795 4.640 -0.000 0.000 0.255 136 D C 0.884 177.179 176.300 -0.009 0.000 1.185 136 D CA -0.389 53.633 54.000 0.038 0.000 0.904 136 D CB 0.512 41.362 40.800 0.083 0.000 1.102 136 D HN 0.390 nan 8.370 nan 0.000 0.534 137 H N 1.639 120.747 119.070 0.064 0.000 2.518 137 H HA -0.069 4.487 4.556 -0.001 0.000 0.289 137 H C 0.406 175.786 175.328 0.086 0.000 1.051 137 H CA 0.868 56.933 56.048 0.029 0.000 1.280 137 H CB 0.516 30.240 29.762 -0.063 0.000 1.380 137 H HN 0.463 nan 8.280 nan 0.000 0.566 138 D N 0.255 120.778 120.400 0.204 0.000 2.371 138 D HA -0.055 4.584 4.640 -0.000 0.000 0.221 138 D C 2.018 178.393 176.300 0.125 0.000 0.986 138 D CA 0.280 54.397 54.000 0.195 0.000 0.899 138 D CB -0.053 40.845 40.800 0.163 0.000 0.902 138 D HN 0.375 nan 8.370 nan 0.000 0.530 139 R N 0.438 120.980 120.500 0.068 0.000 2.148 139 R HA -0.077 4.262 4.340 -0.000 0.000 0.227 139 R C 1.164 177.460 176.300 -0.007 0.000 1.103 139 R CA 0.650 56.727 56.100 -0.038 0.000 0.983 139 R CB -0.018 30.198 30.300 -0.140 0.000 0.874 139 R HN 0.106 nan 8.270 nan 0.000 0.451 140 D N 0.742 121.254 120.400 0.187 0.000 2.228 140 D HA -0.181 4.459 4.640 -0.000 0.000 0.203 140 D C 1.391 177.939 176.300 0.413 0.000 0.988 140 D CA 1.325 55.577 54.000 0.419 0.000 0.864 140 D CB -0.005 41.027 40.800 0.388 0.000 0.928 140 D HN 0.054 nan 8.370 nan 0.000 0.469 141 M N -0.225 119.532 119.600 0.261 0.000 2.659 141 M HA -0.027 4.453 4.480 -0.000 0.000 0.243 141 M C 1.638 178.008 176.300 0.117 0.000 1.111 141 M CA 0.710 56.132 55.300 0.203 0.000 1.070 141 M CB -0.199 32.480 32.600 0.130 0.000 1.525 141 M HN 0.030 nan 8.290 nan 0.000 0.517 142 T N -3.242 111.346 114.554 0.057 0.000 3.065 142 T HA 0.161 4.510 4.350 -0.000 0.000 0.252 142 T C 0.489 175.294 174.700 0.174 0.000 1.099 142 T CA -0.297 61.806 62.100 0.005 0.000 1.063 142 T CB -0.354 68.495 68.868 -0.031 0.000 0.948 142 T HN -0.011 nan 8.240 nan 0.000 0.506 143 F N 3.897 124.054 119.950 0.345 0.000 2.496 143 F HA 0.407 4.934 4.527 -0.000 0.000 0.344 143 F C 1.351 177.363 175.800 0.354 0.000 1.155 143 F CA -0.726 57.468 58.000 0.323 0.000 1.302 143 F CB 0.572 39.732 39.000 0.265 0.000 1.159 143 F HN 0.205 nan 8.300 nan 0.000 0.595 144 S N 2.199 118.151 115.700 0.418 0.000 2.654 144 S HA 0.227 4.697 4.470 -0.000 0.000 0.283 144 S C 0.680 175.353 174.600 0.122 0.000 1.180 144 S CA -0.689 57.570 58.200 0.098 0.000 1.021 144 S CB 0.769 63.918 63.200 -0.085 0.000 1.018 144 S HN 0.616 nan 8.310 nan 0.000 0.532 145 Y N 2.178 122.438 120.300 -0.066 0.000 2.114 145 Y HA -0.195 4.355 4.550 -0.001 0.000 0.282 145 Y C 2.566 178.447 175.900 -0.032 0.000 1.165 145 Y CA 2.137 60.223 58.100 -0.024 0.000 1.148 145 Y CB -1.176 37.261 38.460 -0.038 0.000 0.972 145 Y HN 0.885 nan 8.280 nan 0.000 0.504 146 A N 0.320 123.071 122.820 -0.116 0.000 1.883 146 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 146 A C 2.521 179.986 177.584 -0.197 0.000 1.186 146 A CA 2.483 54.406 52.037 -0.191 0.000 0.624 146 A CB -1.644 17.299 19.000 -0.095 0.000 0.822 146 A HN 0.630 nan 8.150 nan 0.000 0.444 147 A N -0.468 122.285 122.820 -0.113 0.000 1.859 147 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 147 A C 2.249 179.684 177.584 -0.248 0.000 1.198 147 A CA 2.314 54.282 52.037 -0.115 0.000 0.629 147 A CB -1.321 17.733 19.000 0.089 0.000 0.830 147 A HN 0.576 nan 8.150 nan 0.000 0.446 148 V N -0.043 119.734 119.914 -0.228 0.000 2.282 148 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 148 V C 2.540 178.466 176.094 -0.280 0.000 1.057 148 V CA 2.627 64.761 62.300 -0.277 0.000 1.032 148 V CB -0.786 30.978 31.823 -0.098 0.000 0.645 148 V HN 0.525 nan 8.190 nan 0.000 0.447 149 K N -0.313 119.879 120.400 -0.347 0.000 2.113 149 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 149 K C 2.302 178.765 176.600 -0.227 0.000 1.047 149 K CA 1.379 57.483 56.287 -0.305 0.000 0.928 149 K CB -0.343 31.921 32.500 -0.393 0.000 0.716 149 K HN 0.439 nan 8.250 nan 0.000 0.446 150 Q N 0.013 119.660 119.800 -0.253 0.000 2.046 150 Q HA -0.075 4.265 4.340 -0.000 0.000 0.200 150 Q C 2.250 178.057 176.000 -0.321 0.000 0.975 150 Q CA 1.148 56.791 55.803 -0.267 0.000 0.836 150 Q CB -0.348 28.201 28.738 -0.316 0.000 0.896 150 Q HN 0.329 nan 8.270 nan 0.000 0.428 151 L N 0.843 121.841 121.223 -0.375 0.000 1.971 151 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 151 L C 2.602 179.396 176.870 -0.127 0.000 1.072 151 L CA 1.737 56.395 54.840 -0.303 0.000 0.758 151 L CB -0.478 41.360 42.059 -0.369 0.000 0.889 151 L HN 0.352 nan 8.230 nan 0.000 0.433 152 E N -0.309 119.810 120.200 -0.135 0.000 2.110 152 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 152 E C 2.032 178.607 176.600 -0.042 0.000 0.988 152 E CA 1.259 57.614 56.400 -0.075 0.000 0.804 152 E CB -0.111 29.544 29.700 -0.074 0.000 0.745 152 E HN 0.533 nan 8.360 nan 0.000 0.458 153 G N 1.171 109.937 108.800 -0.057 0.000 2.394 153 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.214 153 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.214 153 G C 1.490 176.407 174.900 0.029 0.000 1.176 153 G CA 1.238 46.324 45.100 -0.023 0.000 0.786 153 G HN 0.379 nan 8.290 nan 0.000 0.533 154 K N -2.370 118.074 120.400 0.072 0.000 2.558 154 K HA 0.327 4.647 4.320 -0.000 0.000 0.215 154 K C 1.173 177.970 176.600 0.328 0.000 1.298 154 K CA -0.294 56.098 56.287 0.175 0.000 1.008 154 K CB 0.137 32.748 32.500 0.184 0.000 1.073 154 K HN 0.166 nan 8.250 nan 0.000 0.606 155 Y N 2.142 122.448 120.300 0.009 0.000 2.265 155 Y HA 0.316 4.866 4.550 -0.001 0.000 0.290 155 Y C 1.088 177.009 175.900 0.035 0.000 1.137 155 Y CA -0.773 57.339 58.100 0.019 0.000 1.147 155 Y CB -0.280 38.172 38.460 -0.014 0.000 1.104 155 Y HN -0.155 nan 8.280 nan 0.000 0.514 156 L N 0.800 122.141 121.223 0.197 0.000 2.554 156 L HA -0.045 4.295 4.340 -0.000 0.000 0.293 156 L C -0.018 176.944 176.870 0.154 0.000 1.252 156 L CA -0.141 54.786 54.840 0.144 0.000 0.862 156 L CB -0.047 42.057 42.059 0.075 0.000 1.113 156 L HN -0.201 nan 8.230 nan 0.000 0.510 157 V N 3.282 123.321 119.914 0.209 0.000 2.470 157 V HA 0.157 4.276 4.120 -0.000 0.000 0.276 157 V C 0.380 176.614 176.094 0.233 0.000 1.040 157 V CA 0.012 62.459 62.300 0.245 0.000 1.008 157 V CB 0.689 32.711 31.823 0.332 0.000 0.990 157 V HN 0.896 nan 8.190 nan 0.000 0.477 158 Q N 4.176 124.086 119.800 0.183 0.000 2.693 158 Q HA 0.452 4.792 4.340 -0.000 0.000 0.306 158 Q C -1.151 174.913 176.000 0.107 0.000 0.969 158 Q CA -1.060 54.761 55.803 0.029 0.000 0.757 158 Q CB 1.988 30.686 28.738 -0.066 0.000 1.494 158 Q HN 0.472 nan 8.270 nan 0.000 0.459 159 N N 0.433 119.107 118.700 -0.042 0.000 2.501 159 N HA 0.202 4.942 4.740 -0.000 0.000 0.245 159 N C 0.242 175.753 175.510 0.002 0.000 0.974 159 N CA -0.126 52.965 53.050 0.067 0.000 0.941 159 N CB 0.946 39.492 38.487 0.099 0.000 1.122 159 N HN 0.579 nan 8.380 nan 0.000 0.507 160 R N 2.030 122.546 120.500 0.027 0.000 2.148 160 R HA -0.021 4.319 4.340 -0.000 0.000 0.223 160 R C 1.439 177.745 176.300 0.010 0.000 1.088 160 R CA 0.796 56.905 56.100 0.014 0.000 0.985 160 R CB -0.129 30.186 30.300 0.026 0.000 0.880 160 R HN 0.363 nan 8.270 nan 0.000 0.451 161 V N 0.986 120.910 119.914 0.017 0.000 2.229 161 V HA -0.226 3.894 4.120 -0.000 0.000 0.243 161 V C 2.726 178.823 176.094 0.006 0.000 1.042 161 V CA 2.462 64.770 62.300 0.014 0.000 1.000 161 V CB -0.957 30.878 31.823 0.020 0.000 0.637 161 V HN 0.469 nan 8.190 nan 0.000 0.446 162 T N -2.174 112.382 114.554 0.003 0.000 2.985 162 T HA 0.164 4.514 4.350 -0.000 0.000 0.266 162 T C 1.632 176.314 174.700 -0.031 0.000 1.076 162 T CA 1.459 63.554 62.100 -0.008 0.000 1.135 162 T CB 0.248 69.115 68.868 -0.002 0.000 0.890 162 T HN 1.201 nan 8.240 nan 0.000 0.480 163 G N 1.139 109.909 108.800 -0.049 0.000 2.176 163 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.253 163 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.253 163 G C -0.234 174.581 174.900 -0.142 0.000 0.979 163 G CA 0.051 45.110 45.100 -0.069 0.000 0.641 163 G HN 0.689 nan 8.290 nan 0.000 0.530 164 E N -0.027 120.042 120.200 -0.218 0.000 2.376 164 E HA 0.432 4.782 4.350 -0.000 0.000 0.266 164 E C 0.237 176.465 176.600 -0.619 0.000 1.009 164 E CA 0.090 56.249 56.400 -0.402 0.000 0.902 164 E CB 0.970 30.390 29.700 -0.467 0.000 0.972 164 E HN 0.420 nan 8.360 nan 0.000 0.439 165 I N 3.481 123.750 120.570 -0.502 0.000 2.339 165 I HA 0.067 4.236 4.170 -0.000 0.000 0.290 165 I C -0.158 175.725 176.117 -0.389 0.000 0.994 165 I CA -0.378 60.681 61.300 -0.402 0.000 1.191 165 I CB 0.632 38.495 38.000 -0.229 0.000 1.343 165 I HN 0.599 nan 8.210 nan 0.000 0.458 166 Y N 4.085 124.368 120.300 -0.028 0.000 2.497 166 Y HA 0.139 4.689 4.550 -0.000 0.000 0.265 166 Y C 1.016 176.997 175.900 0.134 0.000 1.111 166 Y CA -0.309 57.796 58.100 0.009 0.000 1.288 166 Y CB 0.179 38.631 38.460 -0.013 0.000 1.082 166 Y HN 0.544 nan 8.280 nan 0.000 0.536 167 E N -0.611 119.747 120.200 0.263 0.000 2.450 167 E HA 0.608 4.958 4.350 -0.000 0.000 0.272 167 E C -0.974 175.729 176.600 0.172 0.000 0.967 167 E CA -0.997 55.640 56.400 0.396 0.000 0.818 167 E CB 1.997 32.046 29.700 0.582 0.000 1.401 167 E HN -0.078 nan 8.360 nan 0.000 0.450 168 S N -0.698 115.158 115.700 0.259 0.000 2.568 168 S HA 0.625 5.094 4.470 -0.000 0.000 0.293 168 S C 0.999 175.678 174.600 0.132 0.000 1.089 168 S CA -0.190 58.074 58.200 0.107 0.000 0.945 168 S CB 1.478 64.723 63.200 0.074 0.000 1.077 168 S HN 0.887 nan 8.310 nan 0.000 0.485 169 A N 2.027 124.909 122.820 0.103 0.000 1.893 169 A HA -0.260 4.059 4.320 -0.000 0.000 0.222 169 A C 2.197 179.885 177.584 0.173 0.000 1.309 169 A CA 2.425 54.529 52.037 0.111 0.000 0.681 169 A CB -1.478 17.709 19.000 0.312 0.000 0.842 169 A HN 0.853 nan 8.150 nan 0.000 0.468 170 Q N -1.388 118.563 119.800 0.252 0.000 2.152 170 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 170 Q C 1.911 178.105 176.000 0.324 0.000 0.985 170 Q CA 1.401 57.382 55.803 0.297 0.000 0.863 170 Q CB -0.670 28.049 28.738 -0.031 0.000 0.904 170 Q HN 0.725 nan 8.270 nan 0.000 0.422 171 F N 0.570 120.651 119.950 0.217 0.000 2.134 171 F HA -0.116 4.411 4.527 -0.001 0.000 0.299 171 F C 2.311 178.220 175.800 0.183 0.000 1.097 171 F CA 0.249 58.360 58.000 0.185 0.000 1.264 171 F CB -1.193 37.909 39.000 0.169 0.000 1.001 171 F HN 0.072 nan 8.300 nan 0.000 0.479 172 L N -0.973 120.447 121.223 0.327 0.000 1.971 172 L HA -0.329 4.011 4.340 -0.000 0.000 0.215 172 L C 2.503 179.484 176.870 0.185 0.000 1.072 172 L CA 1.789 56.722 54.840 0.155 0.000 0.758 172 L CB -0.743 41.301 42.059 -0.025 0.000 0.889 172 L HN 0.020 nan 8.230 nan 0.000 0.433 173 Y N -0.328 120.148 120.300 0.292 0.000 2.097 173 Y HA -0.317 4.233 4.550 -0.000 0.000 0.282 173 Y C 2.401 178.525 175.900 0.374 0.000 1.152 173 Y CA 1.932 60.218 58.100 0.310 0.000 1.136 173 Y CB -0.801 37.835 38.460 0.292 0.000 0.975 173 Y HN 0.244 nan 8.280 nan 0.000 0.498 174 I N -0.360 120.537 120.570 0.545 0.000 2.286 174 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 174 I C 1.984 178.218 176.117 0.194 0.000 1.115 174 I CA 1.472 62.955 61.300 0.305 0.000 1.392 174 I CB -0.388 37.666 38.000 0.090 0.000 1.065 174 I HN 0.145 nan 8.210 nan 0.000 0.418 175 L N -1.349 119.968 121.223 0.158 0.000 2.240 175 L HA -0.099 4.241 4.340 -0.000 0.000 0.211 175 L C 2.378 179.268 176.870 0.032 0.000 1.106 175 L CA 0.324 55.182 54.840 0.031 0.000 0.793 175 L CB -0.514 41.487 42.059 -0.095 0.000 0.927 175 L HN 0.056 nan 8.230 nan 0.000 0.446 176 V N 0.227 120.207 119.914 0.109 0.000 2.295 176 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 176 V C 2.778 178.909 176.094 0.062 0.000 1.049 176 V CA 1.831 64.178 62.300 0.078 0.000 1.024 176 V CB -0.853 31.076 31.823 0.176 0.000 0.648 176 V HN 0.470 nan 8.190 nan 0.000 0.447 177 A N 0.244 123.199 122.820 0.225 0.000 1.851 177 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 177 A C 2.494 180.151 177.584 0.122 0.000 1.195 177 A CA 2.450 54.621 52.037 0.224 0.000 0.622 177 A CB -1.145 18.100 19.000 0.409 0.000 0.831 177 A HN 0.593 nan 8.150 nan 0.000 0.444 178 A N -0.890 121.974 122.820 0.072 0.000 1.896 178 A HA -0.298 4.022 4.320 -0.000 0.000 0.220 178 A C 2.380 180.043 177.584 0.132 0.000 1.206 178 A CA 2.130 54.172 52.037 0.009 0.000 0.647 178 A CB -1.532 17.315 19.000 -0.256 0.000 0.828 178 A HN 0.657 nan 8.150 nan 0.000 0.455 179 C N -0.976 118.336 119.300 0.021 0.000 2.436 179 C HA -0.053 4.406 4.460 -0.000 0.000 0.277 179 C C 2.676 177.477 174.990 -0.315 0.000 1.241 179 C CA 1.051 60.038 59.018 -0.050 0.000 1.721 179 C CB -1.543 26.101 27.740 -0.159 0.000 2.043 179 C HN 0.638 nan 8.230 nan 0.000 0.472 180 L N -0.847 120.106 121.223 -0.450 0.000 2.083 180 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 180 L C 1.608 178.041 176.870 -0.728 0.000 1.083 180 L CA 1.627 56.050 54.840 -0.696 0.000 0.752 180 L CB -0.503 41.031 42.059 -0.876 0.000 0.899 180 L HN 0.295 nan 8.230 nan 0.000 0.433 181 F N -0.850 118.910 119.950 -0.317 0.000 2.639 181 F HA 0.055 4.582 4.527 -0.000 0.000 0.300 181 F C 2.309 178.078 175.800 -0.051 0.000 1.109 181 F CA 0.194 57.987 58.000 -0.344 0.000 1.335 181 F CB -0.288 38.432 39.000 -0.467 0.000 1.014 181 F HN 0.023 nan 8.300 nan 0.000 0.537 182 S N -0.332 115.455 115.700 0.145 0.000 2.419 182 S HA -0.171 4.299 4.470 -0.000 0.000 0.233 182 S C 1.677 176.323 174.600 0.077 0.000 1.016 182 S CA 1.314 59.596 58.200 0.135 0.000 0.974 182 S CB -0.275 63.057 63.200 0.220 0.000 0.786 182 S HN 0.318 nan 8.310 nan 0.000 0.492 183 N N 0.195 118.981 118.700 0.143 0.000 2.412 183 N HA 0.168 4.907 4.740 -0.000 0.000 0.184 183 N C -0.548 175.054 175.510 0.153 0.000 1.101 183 N CA 0.121 53.241 53.050 0.116 0.000 0.881 183 N CB -0.310 38.231 38.487 0.089 0.000 0.969 183 N HN 0.425 nan 8.380 nan 0.000 0.459 184 Y N 2.007 122.315 120.300 0.013 0.000 2.578 184 Y HA 0.091 4.641 4.550 -0.000 0.000 0.339 184 Y C -1.524 174.389 175.900 0.021 0.000 1.231 184 Y CA -1.967 56.151 58.100 0.030 0.000 1.461 184 Y CB -0.254 38.261 38.460 0.092 0.000 1.323 184 Y HN 0.037 nan 8.280 nan 0.000 0.590 185 P HA 0.022 nan 4.420 nan 0.000 0.267 185 P C 0.164 177.517 177.300 0.087 0.000 1.200 185 P CA 0.144 63.268 63.100 0.040 0.000 0.772 185 P CB 0.619 32.323 31.700 0.006 0.000 0.855 186 R N 2.215 122.743 120.500 0.046 0.000 2.152 186 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 186 R C 1.651 177.988 176.300 0.062 0.000 1.117 186 R CA 1.168 57.295 56.100 0.045 0.000 0.981 186 R CB -0.343 29.964 30.300 0.012 0.000 0.870 186 R HN 0.638 nan 8.270 nan 0.000 0.451 187 E N 0.679 120.914 120.200 0.057 0.000 2.478 187 E HA -0.090 4.260 4.350 -0.000 0.000 0.198 187 E C 0.827 177.472 176.600 0.074 0.000 1.046 187 E CA 1.456 57.887 56.400 0.051 0.000 0.870 187 E CB 0.114 29.833 29.700 0.033 0.000 0.818 187 E HN 0.419 nan 8.360 nan 0.000 0.527 188 T N -2.532 112.104 114.554 0.138 0.000 3.105 188 T HA 0.152 4.501 4.350 -0.000 0.000 0.257 188 T C 1.765 176.617 174.700 0.253 0.000 0.949 188 T CA 0.095 62.308 62.100 0.188 0.000 0.959 188 T CB 0.024 69.106 68.868 0.357 0.000 1.205 188 T HN 0.038 nan 8.240 nan 0.000 0.496 189 R N 1.346 122.024 120.500 0.296 0.000 2.259 189 R HA -0.167 4.173 4.340 -0.000 0.000 0.247 189 R C 2.083 178.486 176.300 0.171 0.000 1.114 189 R CA 2.381 58.641 56.100 0.266 0.000 0.926 189 R CB -1.028 29.399 30.300 0.212 0.000 0.937 189 R HN 0.438 nan 8.270 nan 0.000 0.434 190 L N 0.120 121.440 121.223 0.161 0.000 2.201 190 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 190 L C 2.806 179.692 176.870 0.026 0.000 1.105 190 L CA 1.364 56.304 54.840 0.168 0.000 0.775 190 L CB -0.514 41.681 42.059 0.226 0.000 0.913 190 L HN 0.547 nan 8.230 nan 0.000 0.440 191 Q N -0.336 119.432 119.800 -0.053 0.000 2.079 191 Q HA -0.224 4.116 4.340 -0.000 0.000 0.200 191 Q C 2.205 177.998 176.000 -0.345 0.000 0.974 191 Q CA 1.643 57.313 55.803 -0.221 0.000 0.840 191 Q CB -0.145 28.454 28.738 -0.232 0.000 0.898 191 Q HN 0.392 nan 8.270 nan 0.000 0.430 192 Y N 0.386 120.489 120.300 -0.328 0.000 2.114 192 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 192 Y C 2.539 178.082 175.900 -0.596 0.000 1.143 192 Y CA 1.333 59.060 58.100 -0.620 0.000 1.135 192 Y CB -0.676 37.129 38.460 -1.092 0.000 0.980 192 Y HN -0.075 nan 8.280 nan 0.000 0.499 193 V N 0.557 120.316 119.914 -0.259 0.000 2.233 193 V HA -0.430 3.690 4.120 -0.000 0.000 0.252 193 V C 2.465 178.524 176.094 -0.059 0.000 1.063 193 V CA 2.473 64.732 62.300 -0.068 0.000 1.032 193 V CB -0.680 31.193 31.823 0.084 0.000 0.645 193 V HN 0.375 nan 8.190 nan 0.000 0.446 194 K N -0.441 119.761 120.400 -0.329 0.000 2.009 194 K HA -0.232 4.087 4.320 -0.000 0.000 0.210 194 K C 2.416 178.876 176.600 -0.233 0.000 1.049 194 K CA 1.877 57.812 56.287 -0.586 0.000 0.929 194 K CB -0.196 31.511 32.500 -1.322 0.000 0.714 194 K HN 0.390 nan 8.250 nan 0.000 0.440 195 R N -0.458 119.898 120.500 -0.240 0.000 2.083 195 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 195 R C 2.373 178.642 176.300 -0.051 0.000 1.137 195 R CA 1.811 57.815 56.100 -0.160 0.000 0.951 195 R CB -0.607 29.576 30.300 -0.195 0.000 0.851 195 R HN 0.235 nan 8.270 nan 0.000 0.434 196 F N 0.869 120.738 119.950 -0.134 0.000 2.046 196 F HA -0.321 4.206 4.527 -0.001 0.000 0.297 196 F C 2.380 178.163 175.800 -0.027 0.000 1.123 196 F CA 1.694 59.675 58.000 -0.032 0.000 1.199 196 F CB -0.850 38.192 39.000 0.070 0.000 0.972 196 F HN -0.001 nan 8.300 nan 0.000 0.474 197 Y N 1.537 121.872 120.300 0.059 0.000 2.030 197 Y HA -0.386 4.164 4.550 -0.000 0.000 0.272 197 Y C 2.344 178.109 175.900 -0.226 0.000 1.185 197 Y CA 2.374 60.446 58.100 -0.047 0.000 1.120 197 Y CB -1.083 37.392 38.460 0.024 0.000 0.955 197 Y HN 0.152 nan 8.280 nan 0.000 0.495 198 D N 0.210 120.416 120.400 -0.324 0.000 2.116 198 D HA -0.255 4.384 4.640 -0.000 0.000 0.193 198 D C 2.338 178.351 176.300 -0.477 0.000 0.998 198 D CA 1.772 55.513 54.000 -0.431 0.000 0.836 198 D CB -0.856 39.817 40.800 -0.211 0.000 0.951 198 D HN 0.540 nan 8.370 nan 0.000 0.449 199 A N 0.684 123.266 122.820 -0.396 0.000 1.851 199 A HA -0.192 4.127 4.320 -0.000 0.000 0.216 199 A C 2.541 179.831 177.584 -0.490 0.000 1.195 199 A CA 2.873 54.681 52.037 -0.381 0.000 0.622 199 A CB -1.055 17.739 19.000 -0.343 0.000 0.831 199 A HN 0.242 nan 8.150 nan 0.000 0.444 200 V N -1.385 118.135 119.914 -0.658 0.000 2.548 200 V HA -0.130 3.990 4.120 -0.000 0.000 0.249 200 V C 2.236 177.744 176.094 -0.978 0.000 1.055 200 V CA 2.336 64.239 62.300 -0.661 0.000 1.065 200 V CB -1.227 30.245 31.823 -0.585 0.000 0.681 200 V HN 0.657 nan 8.190 nan 0.000 0.462 201 S N 1.369 116.338 115.700 -1.218 0.000 2.522 201 S HA -0.049 4.420 4.470 -0.000 0.000 0.227 201 S C 1.574 175.440 174.600 -1.224 0.000 0.986 201 S CA 0.878 58.237 58.200 -1.403 0.000 0.929 201 S CB -0.698 61.727 63.200 -1.292 0.000 0.769 201 S HN 0.873 nan 8.310 nan 0.000 0.529 202 T N -1.693 112.299 114.554 -0.937 0.000 3.215 202 T HA 0.408 4.757 4.350 -0.000 0.000 0.271 202 T C 0.105 174.498 174.700 -0.511 0.000 1.012 202 T CA -0.745 60.906 62.100 -0.748 0.000 0.899 202 T CB -1.128 67.489 68.868 -0.418 0.000 1.089 202 T HN 0.190 nan 8.240 nan 0.000 0.552 203 F N 0.010 119.819 119.950 -0.235 0.000 3.100 203 F HA -0.232 4.295 4.527 -0.000 0.000 0.284 203 F C 1.286 177.043 175.800 -0.071 0.000 0.875 203 F CA 0.250 58.177 58.000 -0.122 0.000 1.039 203 F CB -2.428 36.542 39.000 -0.050 0.000 1.111 203 F HN 0.265 nan 8.300 nan 0.000 0.575 204 K N 0.322 120.717 120.400 -0.010 0.000 2.044 204 K HA 0.237 4.557 4.320 -0.000 0.000 0.204 204 K C 0.880 177.522 176.600 0.069 0.000 1.049 204 K CA 1.204 57.504 56.287 0.021 0.000 0.945 204 K CB 0.186 32.654 32.500 -0.052 0.000 0.724 204 K HN 0.392 nan 8.250 nan 0.000 0.440 205 I N 0.097 120.655 120.570 -0.019 0.000 2.460 205 I HA 0.167 4.337 4.170 -0.000 0.000 0.298 205 I C -0.380 175.736 176.117 -0.002 0.000 0.989 205 I CA -0.591 60.698 61.300 -0.019 0.000 1.173 205 I CB 2.066 39.999 38.000 -0.111 0.000 1.338 205 I HN -0.104 nan 8.210 nan 0.000 0.456 206 S N 5.692 121.410 115.700 0.029 0.000 2.501 206 S HA 0.744 5.214 4.470 -0.000 0.000 0.301 206 S C -0.632 174.017 174.600 0.082 0.000 1.096 206 S CA -0.522 57.737 58.200 0.098 0.000 1.063 206 S CB 1.192 64.463 63.200 0.118 0.000 1.042 206 S HN 0.313 nan 8.310 nan 0.000 0.494 207 L N 4.241 125.551 121.223 0.145 0.000 2.354 207 L HA 0.566 4.906 4.340 -0.000 0.000 0.269 207 L C -2.150 174.792 176.870 0.119 0.000 1.005 207 L CA -2.246 52.662 54.840 0.112 0.000 0.819 207 L CB 1.939 44.073 42.059 0.125 0.000 1.311 207 L HN 0.440 nan 8.230 nan 0.000 0.423 208 P HA 0.080 nan 4.420 nan 0.000 0.270 208 P C 0.364 177.687 177.300 0.037 0.000 1.223 208 P CA -0.250 62.895 63.100 0.075 0.000 0.785 208 P CB 0.454 32.185 31.700 0.052 0.000 0.923 209 T N 1.417 116.016 114.554 0.074 0.000 2.684 209 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 209 T C -0.885 173.778 174.700 -0.060 0.000 1.036 209 T CA 1.986 64.093 62.100 0.012 0.000 1.148 209 T CB -1.966 67.000 68.868 0.163 0.000 0.863 209 T HN 0.501 nan 8.240 nan 0.000 0.436 210 P HA -0.080 nan 4.420 nan 0.000 0.215 210 P C 1.595 178.980 177.300 0.142 0.000 1.163 210 P CA 1.180 64.345 63.100 0.108 0.000 0.894 210 P CB -0.271 31.523 31.700 0.156 0.000 0.791 211 I N -1.244 119.351 120.570 0.042 0.000 2.090 211 I HA -0.251 3.918 4.170 -0.000 0.000 0.236 211 I C 2.767 178.814 176.117 -0.116 0.000 1.064 211 I CA 1.582 62.828 61.300 -0.090 0.000 1.324 211 I CB -0.672 37.254 38.000 -0.124 0.000 1.044 211 I HN -0.153 nan 8.210 nan 0.000 0.399 212 M N 0.379 119.849 119.600 -0.216 0.000 2.106 212 M HA -0.204 4.276 4.480 -0.000 0.000 0.259 212 M C 2.545 178.643 176.300 -0.337 0.000 1.068 212 M CA 2.307 57.376 55.300 -0.385 0.000 1.100 212 M CB -1.132 30.869 32.600 -0.999 0.000 1.351 212 M HN 0.439 nan 8.290 nan 0.000 0.404 213 S N -1.152 114.379 115.700 -0.282 0.000 2.470 213 S HA 0.081 4.551 4.470 -0.000 0.000 0.225 213 S C 1.819 176.456 174.600 0.061 0.000 1.006 213 S CA 0.732 58.885 58.200 -0.079 0.000 0.934 213 S CB -0.305 62.884 63.200 -0.019 0.000 0.778 213 S HN 0.501 nan 8.310 nan 0.000 0.517 214 G N 1.129 110.008 108.800 0.133 0.000 2.742 214 G HA2 0.260 4.220 3.960 -0.000 0.000 0.204 214 G HA3 0.260 4.220 3.960 -0.000 0.000 0.204 214 G C 0.188 175.298 174.900 0.350 0.000 1.126 214 G CA 0.044 45.319 45.100 0.291 0.000 0.829 214 G HN 0.380 nan 8.290 nan 0.000 0.574 215 V N 2.975 123.021 119.914 0.219 0.000 2.441 215 V HA 0.195 4.315 4.120 -0.000 0.000 0.279 215 V C 1.208 177.339 176.094 0.063 0.000 0.990 215 V CA 1.701 64.029 62.300 0.048 0.000 1.116 215 V CB -0.434 31.218 31.823 -0.285 0.000 0.977 215 V HN 0.844 nan 8.190 nan 0.000 0.470 216 R N 2.340 122.923 120.500 0.140 0.000 1.824 216 R HA -0.104 4.236 4.340 -0.000 0.000 0.390 216 R C 0.221 176.570 176.300 0.081 0.000 0.226 216 R CA 0.653 56.761 56.100 0.012 0.000 1.417 216 R CB -1.580 28.591 30.300 -0.214 0.000 1.877 216 R HN 0.725 nan 8.270 nan 0.000 0.202 217 T N -2.044 112.630 114.554 0.200 0.000 2.952 217 T HA 0.603 4.953 4.350 -0.000 0.000 0.286 217 T C -1.940 172.877 174.700 0.195 0.000 1.024 217 T CA -1.603 60.628 62.100 0.219 0.000 1.029 217 T CB 2.277 71.265 68.868 0.199 0.000 1.094 217 T HN -0.183 nan 8.240 nan 0.000 0.515 218 P HA -0.061 nan 4.420 nan 0.000 0.217 218 P C 0.966 178.276 177.300 0.016 0.000 1.148 218 P CA 1.044 64.191 63.100 0.077 0.000 0.834 218 P CB -0.374 31.353 31.700 0.044 0.000 0.783 219 T N -0.663 113.888 114.554 -0.006 0.000 2.795 219 T HA 0.065 4.415 4.350 -0.000 0.000 0.314 219 T C 1.165 175.714 174.700 -0.253 0.000 1.069 219 T CA 0.048 62.069 62.100 -0.131 0.000 1.071 219 T CB 0.218 68.989 68.868 -0.162 0.000 0.988 219 T HN -0.106 nan 8.240 nan 0.000 0.543 220 R N 1.190 121.413 120.500 -0.462 0.000 2.541 220 R HA 0.176 4.515 4.340 -0.000 0.000 0.332 220 R C -0.053 175.664 176.300 -0.973 0.000 0.951 220 R CA 0.016 55.737 56.100 -0.632 0.000 1.136 220 R CB 0.420 30.505 30.300 -0.358 0.000 1.449 220 R HN 0.686 nan 8.270 nan 0.000 0.531 221 Q N 0.390 119.666 119.800 -0.873 0.000 2.323 221 Q HA 0.226 4.566 4.340 -0.000 0.000 0.257 221 Q C -0.371 175.197 176.000 -0.720 0.000 1.022 221 Q CA 0.183 55.615 55.803 -0.619 0.000 0.919 221 Q CB 0.487 29.023 28.738 -0.338 0.000 1.220 221 Q HN 0.009 nan 8.270 nan 0.000 0.427 222 F N -0.921 119.003 119.950 -0.044 0.000 2.856 222 F HA 0.187 4.714 4.527 -0.001 0.000 0.338 222 F C 0.344 176.142 175.800 -0.003 0.000 1.100 222 F CA -0.414 57.577 58.000 -0.016 0.000 1.150 222 F CB 0.933 39.928 39.000 -0.009 0.000 1.101 222 F HN 0.209 nan 8.300 nan 0.000 0.548 223 S N 0.385 116.165 115.700 0.134 0.000 2.537 223 S HA 0.266 4.736 4.470 -0.000 0.000 0.275 223 S C 1.164 175.822 174.600 0.097 0.000 1.272 223 S CA -0.048 58.220 58.200 0.113 0.000 1.050 223 S CB 1.378 64.643 63.200 0.108 0.000 0.961 223 S HN 0.283 nan 8.310 nan 0.000 0.496 224 S N 0.452 116.193 115.700 0.069 0.000 2.475 224 S HA 0.116 4.586 4.470 -0.000 0.000 0.224 224 S C 0.719 175.334 174.600 0.025 0.000 1.042 224 S CA -0.265 57.969 58.200 0.056 0.000 0.935 224 S CB -0.405 62.827 63.200 0.053 0.000 0.801 224 S HN 0.847 nan 8.310 nan 0.000 0.509 225 c N 0.431 119.026 118.600 -0.009 0.000 2.797 225 c HA 0.943 5.513 4.570 -0.000 0.000 0.306 225 c C -0.422 173.595 174.090 -0.123 0.000 1.207 225 c CA -1.021 55.279 56.329 -0.050 0.000 1.507 225 c CB 1.052 43.541 42.510 -0.035 0.000 2.028 225 c HN 0.196 nan 8.230 nan 0.000 0.475 226 V N 1.507 121.308 119.914 -0.189 0.000 2.914 226 V HA 0.695 4.815 4.120 -0.000 0.000 0.314 226 V C -0.941 175.041 176.094 -0.187 0.000 1.084 226 V CA -0.508 61.613 62.300 -0.300 0.000 0.963 226 V CB 2.011 33.438 31.823 -0.661 0.000 1.025 226 V HN 0.798 nan 8.190 nan 0.000 0.432 227 L N 4.466 125.589 121.223 -0.168 0.000 2.372 227 L HA 0.613 4.952 4.340 -0.000 0.000 0.273 227 L C -0.741 176.060 176.870 -0.114 0.000 0.989 227 L CA 0.270 55.038 54.840 -0.119 0.000 0.841 227 L CB 1.501 43.491 42.059 -0.114 0.000 1.225 227 L HN 0.423 nan 8.230 nan 0.000 0.414 228 I N 2.428 122.937 120.570 -0.101 0.000 2.433 228 I HA 0.383 4.552 4.170 -0.000 0.000 0.292 228 I C -0.136 175.932 176.117 -0.083 0.000 1.001 228 I CA -0.499 60.748 61.300 -0.088 0.000 1.119 228 I CB 1.992 39.938 38.000 -0.091 0.000 1.289 228 I HN 0.563 nan 8.210 nan 0.000 0.438 229 E N 5.732 125.894 120.200 -0.063 0.000 2.156 229 E HA 0.338 4.688 4.350 -0.000 0.000 0.279 229 E C -1.457 175.127 176.600 -0.026 0.000 0.965 229 E CA -0.612 55.761 56.400 -0.043 0.000 0.789 229 E CB 1.737 31.410 29.700 -0.046 0.000 1.098 229 E HN 0.717 nan 8.360 nan 0.000 0.397 230 C N 4.289 123.582 119.300 -0.011 0.000 2.341 230 C HA 0.807 5.267 4.460 -0.000 0.000 0.338 230 C C 0.756 175.764 174.990 0.030 0.000 1.257 230 C CA -0.143 58.889 59.018 0.023 0.000 1.883 230 C CB -0.239 27.533 27.740 0.055 0.000 2.334 230 C HN 0.858 nan 8.230 nan 0.000 0.524 231 G N 2.828 111.641 108.800 0.023 0.000 2.528 231 G HA2 0.332 4.291 3.960 -0.000 0.000 0.289 231 G HA3 0.332 4.291 3.960 -0.000 0.000 0.289 231 G C -0.381 174.508 174.900 -0.018 0.000 1.192 231 G CA -0.103 44.992 45.100 -0.008 0.000 0.921 231 G HN 0.815 nan 8.290 nan 0.000 0.512 232 D N -0.531 119.838 120.400 -0.051 0.000 2.994 232 D HA 0.321 4.960 4.640 -0.000 0.000 0.240 232 D C 0.273 176.527 176.300 -0.075 0.000 1.195 232 D CA -0.124 53.831 54.000 -0.075 0.000 0.957 232 D CB -0.440 40.303 40.800 -0.095 0.000 1.105 232 D HN 0.432 nan 8.370 nan 0.000 0.477 233 S N -0.475 115.186 115.700 -0.065 0.000 2.533 233 S HA 0.267 4.736 4.470 -0.000 0.000 0.271 233 S C 0.981 175.553 174.600 -0.045 0.000 1.143 233 S CA -0.892 57.279 58.200 -0.047 0.000 0.891 233 S CB 0.907 64.095 63.200 -0.019 0.000 1.105 233 S HN 0.080 nan 8.310 nan 0.000 0.468 234 L N 1.128 122.335 121.223 -0.025 0.000 2.043 234 L HA -0.134 4.205 4.340 -0.000 0.000 0.212 234 L C 2.077 178.969 176.870 0.037 0.000 1.075 234 L CA 1.676 56.520 54.840 0.006 0.000 0.752 234 L CB -0.662 41.426 42.059 0.048 0.000 0.891 234 L HN 0.734 nan 8.230 nan 0.000 0.432 235 D N -0.559 119.862 120.400 0.034 0.000 2.116 235 D HA -0.216 4.423 4.640 -0.000 0.000 0.193 235 D C 2.355 178.688 176.300 0.055 0.000 0.998 235 D CA 1.933 55.959 54.000 0.044 0.000 0.836 235 D CB -0.066 40.753 40.800 0.032 0.000 0.951 235 D HN 0.228 nan 8.370 nan 0.000 0.449 236 S N -0.361 115.366 115.700 0.044 0.000 2.387 236 S HA -0.066 4.403 4.470 -0.000 0.000 0.226 236 S C 2.193 176.857 174.600 0.107 0.000 1.026 236 S CA 0.274 58.509 58.200 0.059 0.000 0.972 236 S CB -0.183 63.038 63.200 0.036 0.000 0.814 236 S HN 0.134 nan 8.310 nan 0.000 0.477 237 I N 2.252 122.887 120.570 0.108 0.000 2.127 237 I HA -0.218 3.951 4.170 -0.000 0.000 0.241 237 I C 2.428 178.713 176.117 0.281 0.000 1.075 237 I CA 1.423 62.853 61.300 0.216 0.000 1.334 237 I CB -0.539 37.491 38.000 0.050 0.000 1.040 237 I HN 0.294 nan 8.210 nan 0.000 0.405 238 N N 0.907 119.727 118.700 0.200 0.000 2.061 238 N HA -0.202 4.538 4.740 -0.000 0.000 0.193 238 N C 1.857 177.472 175.510 0.175 0.000 1.030 238 N CA 1.825 54.996 53.050 0.201 0.000 0.856 238 N CB -0.610 37.963 38.487 0.142 0.000 1.023 238 N HN 0.422 nan 8.380 nan 0.000 0.424 239 A N 0.247 123.147 122.820 0.134 0.000 1.865 239 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 239 A C 2.399 180.053 177.584 0.117 0.000 1.191 239 A CA 2.382 54.484 52.037 0.107 0.000 0.623 239 A CB -1.382 17.667 19.000 0.081 0.000 0.826 239 A HN 0.344 nan 8.150 nan 0.000 0.444 240 T N -0.301 114.330 114.554 0.130 0.000 2.570 240 T HA -0.240 4.110 4.350 -0.000 0.000 0.266 240 T C 2.288 177.061 174.700 0.122 0.000 1.071 240 T CA 2.380 64.536 62.100 0.094 0.000 1.172 240 T CB -0.631 68.281 68.868 0.073 0.000 0.864 240 T HN 0.633 nan 8.240 nan 0.000 0.421 241 S N 0.505 116.356 115.700 0.252 0.000 2.372 241 S HA -0.202 4.268 4.470 -0.000 0.000 0.227 241 S C 2.334 177.010 174.600 0.128 0.000 1.044 241 S CA 2.190 60.525 58.200 0.225 0.000 1.050 241 S CB -0.689 62.667 63.200 0.259 0.000 0.901 241 S HN 0.464 nan 8.310 nan 0.000 0.447 242 S N 1.534 117.310 115.700 0.126 0.000 2.353 242 S HA -0.082 4.388 4.470 -0.000 0.000 0.222 242 S C 2.290 176.940 174.600 0.084 0.000 1.035 242 S CA 1.296 59.552 58.200 0.092 0.000 1.025 242 S CB -1.049 62.203 63.200 0.086 0.000 0.902 242 S HN 0.790 nan 8.310 nan 0.000 0.440 243 A N 1.699 124.579 122.820 0.100 0.000 1.873 243 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 243 A C 2.076 179.762 177.584 0.169 0.000 1.193 243 A CA 1.821 53.941 52.037 0.139 0.000 0.629 243 A CB -1.034 18.056 19.000 0.151 0.000 0.826 243 A HN 0.499 nan 8.150 nan 0.000 0.447 244 I N -0.353 120.288 120.570 0.120 0.000 2.113 244 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 244 I C 2.365 178.545 176.117 0.104 0.000 1.064 244 I CA 1.739 63.102 61.300 0.105 0.000 1.320 244 I CB -0.689 37.341 38.000 0.050 0.000 1.028 244 I HN 0.195 nan 8.210 nan 0.000 0.406 245 V N 0.803 120.760 119.914 0.073 0.000 2.287 245 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 245 V C 2.567 178.680 176.094 0.032 0.000 1.053 245 V CA 1.775 64.104 62.300 0.048 0.000 1.027 245 V CB -0.804 31.041 31.823 0.038 0.000 0.646 245 V HN 0.366 nan 8.190 nan 0.000 0.447 246 K N -0.625 119.783 120.400 0.014 0.000 2.001 246 K HA -0.209 4.111 4.320 -0.000 0.000 0.214 246 K C 2.116 178.653 176.600 -0.105 0.000 1.050 246 K CA 2.046 58.289 56.287 -0.073 0.000 0.934 246 K CB -0.728 31.690 32.500 -0.137 0.000 0.718 246 K HN 0.508 nan 8.250 nan 0.000 0.443 247 Y N 1.193 121.493 120.300 -0.001 0.000 2.242 247 Y HA -0.178 4.371 4.550 -0.001 0.000 0.291 247 Y C 2.330 178.228 175.900 -0.004 0.000 1.137 247 Y CA 1.125 59.222 58.100 -0.005 0.000 1.181 247 Y CB -0.579 37.881 38.460 -0.000 0.000 0.989 247 Y HN -0.070 nan 8.280 nan 0.000 0.527 248 V N -2.274 117.727 119.914 0.144 0.000 2.759 248 V HA -0.182 3.938 4.120 -0.000 0.000 0.256 248 V C 2.119 178.245 176.094 0.053 0.000 1.080 248 V CA 1.593 63.946 62.300 0.089 0.000 1.101 248 V CB -1.286 30.576 31.823 0.066 0.000 0.698 248 V HN 0.457 nan 8.190 nan 0.000 0.477 249 S N 0.701 116.418 115.700 0.028 0.000 2.474 249 S HA -0.151 4.319 4.470 -0.000 0.000 0.235 249 S C 1.626 176.222 174.600 -0.008 0.000 0.997 249 S CA 1.173 59.374 58.200 0.002 0.000 0.949 249 S CB -0.602 62.586 63.200 -0.020 0.000 0.766 249 S HN 0.796 nan 8.310 nan 0.000 0.517 250 Q N 0.364 120.163 119.800 -0.002 0.000 2.201 250 Q HA 0.411 4.750 4.340 -0.000 0.000 0.236 250 Q C -0.460 175.560 176.000 0.033 0.000 0.857 250 Q CA -0.408 55.389 55.803 -0.009 0.000 1.025 250 Q CB 0.130 28.843 28.738 -0.042 0.000 1.124 250 Q HN 0.431 nan 8.270 nan 0.000 0.473 251 R N 0.004 120.530 120.500 0.043 0.000 3.422 251 R HA -0.198 4.141 4.340 -0.000 0.000 0.267 251 R C -0.741 175.600 176.300 0.068 0.000 1.074 251 R CA 0.514 56.645 56.100 0.051 0.000 0.718 251 R CB -1.763 28.563 30.300 0.043 0.000 1.157 251 R HN 0.369 nan 8.270 nan 0.000 0.440 252 A N 0.043 122.919 122.820 0.092 0.000 2.312 252 A HA 0.725 5.044 4.320 -0.000 0.000 0.326 252 A C 0.725 178.344 177.584 0.059 0.000 1.172 252 A CA 0.131 52.222 52.037 0.090 0.000 0.821 252 A CB 1.184 20.276 19.000 0.152 0.000 1.166 252 A HN 0.297 nan 8.150 nan 0.000 0.493 253 G N 1.093 109.914 108.800 0.035 0.000 2.390 253 G HA2 0.506 4.465 3.960 -0.000 0.000 0.270 253 G HA3 0.506 4.465 3.960 -0.000 0.000 0.270 253 G C -0.225 174.673 174.900 -0.004 0.000 1.211 253 G CA -0.300 44.815 45.100 0.024 0.000 0.842 253 G HN 0.532 nan 8.290 nan 0.000 0.519 254 I N 0.955 121.525 120.570 -0.001 0.000 2.562 254 I HA 0.567 4.737 4.170 -0.000 0.000 0.301 254 I C 0.580 176.697 176.117 -0.001 0.000 1.003 254 I CA -0.756 60.529 61.300 -0.025 0.000 1.127 254 I CB 1.613 39.599 38.000 -0.023 0.000 1.304 254 I HN 0.545 nan 8.210 nan 0.000 0.446 255 G N 6.014 114.814 108.800 0.001 0.000 2.730 255 G HA2 0.696 4.655 3.960 -0.000 0.000 0.291 255 G HA3 0.696 4.655 3.960 -0.000 0.000 0.291 255 G C -0.948 173.996 174.900 0.073 0.000 1.456 255 G CA -0.258 44.904 45.100 0.104 0.000 0.996 255 G HN 0.417 nan 8.290 nan 0.000 0.528 256 I N 1.993 122.620 120.570 0.095 0.000 2.377 256 I HA 0.288 4.458 4.170 -0.000 0.000 0.293 256 I C -0.532 175.668 176.117 0.138 0.000 0.987 256 I CA -1.045 60.247 61.300 -0.013 0.000 1.185 256 I CB 2.281 40.153 38.000 -0.214 0.000 1.341 256 I HN 0.342 nan 8.210 nan 0.000 0.455 257 N N 5.252 123.992 118.700 0.068 0.000 2.501 257 N HA 0.488 5.228 4.740 -0.000 0.000 0.245 257 N C -0.373 175.217 175.510 0.132 0.000 0.974 257 N CA -0.362 52.784 53.050 0.160 0.000 0.941 257 N CB 1.578 40.122 38.487 0.095 0.000 1.122 257 N HN 0.700 nan 8.380 nan 0.000 0.507 258 A N 2.249 125.188 122.820 0.197 0.000 2.701 258 A HA 0.395 4.714 4.320 -0.000 0.000 0.297 258 A C 1.425 179.209 177.584 0.334 0.000 1.197 258 A CA -0.084 52.102 52.037 0.248 0.000 0.963 258 A CB -0.306 18.861 19.000 0.278 0.000 1.175 258 A HN 0.634 nan 8.150 nan 0.000 0.531 259 G N 0.762 109.773 108.800 0.352 0.000 2.443 259 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.219 259 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.219 259 G C 1.536 176.581 174.900 0.241 0.000 1.131 259 G CA 0.688 46.039 45.100 0.418 0.000 0.775 259 G HN 0.630 nan 8.290 nan 0.000 0.547 260 R N -0.098 120.397 120.500 -0.009 0.000 2.193 260 R HA 0.197 4.536 4.340 -0.000 0.000 0.213 260 R C 0.684 176.972 176.300 -0.021 0.000 1.055 260 R CA -0.095 55.877 56.100 -0.214 0.000 0.995 260 R CB -0.277 29.812 30.300 -0.351 0.000 0.893 260 R HN 0.275 nan 8.270 nan 0.000 0.459 261 I N 4.437 125.066 120.570 0.099 0.000 2.828 261 I HA -0.120 4.050 4.170 -0.000 0.000 0.292 261 I C 0.869 177.063 176.117 0.129 0.000 1.206 261 I CA 0.245 61.599 61.300 0.090 0.000 1.420 261 I CB 0.169 38.275 38.000 0.176 0.000 1.368 261 I HN 0.218 nan 8.210 nan 0.000 0.556 262 R N 5.837 126.279 120.500 -0.097 0.000 2.905 262 R HA 0.491 4.831 4.340 -0.000 0.000 0.273 262 R C 0.021 176.299 176.300 -0.037 0.000 1.033 262 R CA -0.698 55.298 56.100 -0.172 0.000 1.182 262 R CB 0.073 30.153 30.300 -0.367 0.000 1.097 262 R HN 0.608 nan 8.270 nan 0.000 0.504 263 A N 1.316 124.148 122.820 0.021 0.000 2.302 263 A HA 0.351 4.670 4.320 -0.000 0.000 0.285 263 A C -0.103 177.645 177.584 0.273 0.000 1.105 263 A CA -0.879 51.280 52.037 0.203 0.000 0.816 263 A CB 0.532 19.601 19.000 0.116 0.000 1.067 263 A HN 0.706 nan 8.150 nan 0.000 0.489 264 L N 1.693 123.074 121.223 0.264 0.000 2.525 264 L HA 0.475 4.814 4.340 -0.000 0.000 0.278 264 L C 1.092 178.067 176.870 0.174 0.000 1.218 264 L CA 1.942 56.913 54.840 0.218 0.000 0.878 264 L CB 0.269 42.375 42.059 0.078 0.000 1.127 264 L HN 1.694 nan 8.230 nan 0.000 0.492 265 G N 2.112 111.038 108.800 0.210 0.000 2.279 265 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.223 265 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.223 265 G C 0.552 175.572 174.900 0.200 0.000 1.015 265 G CA 0.117 45.360 45.100 0.238 0.000 0.621 265 G HN 0.904 nan 8.290 nan 0.000 0.506 266 S N 3.732 119.497 115.700 0.109 0.000 2.552 266 S HA 0.434 4.904 4.470 -0.000 0.000 0.289 266 S C -1.769 172.729 174.600 -0.169 0.000 1.304 266 S CA -0.064 58.109 58.200 -0.046 0.000 1.063 266 S CB 1.057 64.203 63.200 -0.091 0.000 0.848 266 S HN 0.414 nan 8.310 nan 0.000 0.499 267 P HA 0.219 nan 4.420 nan 0.000 0.271 267 P C -0.928 176.224 177.300 -0.247 0.000 1.220 267 P CA 0.053 62.830 63.100 -0.538 0.000 0.768 267 P CB 0.164 31.562 31.700 -0.503 0.000 0.848 268 I N 3.612 124.084 120.570 -0.164 0.000 2.406 268 I HA 0.408 4.578 4.170 -0.000 0.000 0.290 268 I C 1.364 177.462 176.117 -0.032 0.000 0.999 268 I CA -0.755 60.518 61.300 -0.045 0.000 1.124 268 I CB 1.598 39.628 38.000 0.049 0.000 1.289 268 I HN 0.399 nan 8.210 nan 0.000 0.441 269 R N 4.125 124.608 120.500 -0.028 0.000 3.862 269 R HA -0.205 4.135 4.340 -0.000 0.000 0.470 269 R C 0.568 176.855 176.300 -0.023 0.000 0.879 269 R CA 1.556 57.647 56.100 -0.014 0.000 1.508 269 R CB -1.350 28.955 30.300 0.009 0.000 2.170 269 R HN 1.236 nan 8.270 nan 0.000 0.496 270 G N -3.348 105.424 108.800 -0.046 0.000 1.775 270 G HA2 0.138 4.098 3.960 -0.000 0.000 0.059 270 G HA3 0.138 4.098 3.960 -0.000 0.000 0.059 270 G C 0.454 175.316 174.900 -0.064 0.000 1.152 270 G CA -0.100 44.975 45.100 -0.043 0.000 1.107 270 G HN 0.842 nan 8.290 nan 0.000 0.323 271 G N -0.233 108.567 108.800 -0.001 0.000 4.008 271 G HA2 0.433 4.392 3.960 -0.000 0.000 0.278 271 G HA3 0.433 4.392 3.960 -0.000 0.000 0.278 271 G C 0.642 175.645 174.900 0.171 0.000 1.021 271 G CA 0.874 46.016 45.100 0.069 0.000 0.833 271 G HN 0.306 nan 8.290 nan 0.000 0.454 272 E N 0.748 121.006 120.200 0.096 0.000 2.482 272 E HA 0.308 4.658 4.350 -0.000 0.000 0.196 272 E C 0.860 177.543 176.600 0.139 0.000 1.047 272 E CA 0.704 57.164 56.400 0.101 0.000 0.869 272 E CB 0.685 30.419 29.700 0.056 0.000 0.836 272 E HN 0.482 nan 8.360 nan 0.000 0.520 273 A N 0.278 123.213 122.820 0.192 0.000 2.583 273 A HA 0.520 4.839 4.320 -0.000 0.000 0.298 273 A C -1.599 176.168 177.584 0.306 0.000 1.055 273 A CA -0.745 51.433 52.037 0.235 0.000 0.714 273 A CB 0.551 19.628 19.000 0.129 0.000 1.277 273 A HN -0.018 nan 8.150 nan 0.000 0.406 274 F N 1.462 121.436 119.950 0.040 0.000 2.458 274 F HA 0.506 5.033 4.527 -0.001 0.000 0.336 274 F C 0.807 176.661 175.800 0.091 0.000 1.114 274 F CA -0.432 57.605 58.000 0.061 0.000 0.987 274 F CB 1.425 40.449 39.000 0.039 0.000 1.130 274 F HN 0.805 nan 8.300 nan 0.000 0.458 275 H N 0.902 120.047 119.070 0.125 0.000 3.119 275 H HA -0.044 4.512 4.556 -0.000 0.000 0.334 275 H C 1.113 176.506 175.328 0.109 0.000 1.042 275 H CA 1.193 57.303 56.048 0.104 0.000 1.354 275 H CB 0.862 30.667 29.762 0.072 0.000 1.285 275 H HN 0.704 nan 8.280 nan 0.000 0.601 276 T N 2.155 116.453 114.554 -0.426 0.000 3.044 276 T HA 0.326 4.676 4.350 -0.000 0.000 0.255 276 T C 0.177 174.699 174.700 -0.298 0.000 1.073 276 T CA 0.835 62.751 62.100 -0.308 0.000 1.125 276 T CB -0.299 68.385 68.868 -0.308 0.000 0.908 276 T HN 1.034 nan 8.240 nan 0.000 0.480 277 G N -0.921 107.627 108.800 -0.419 0.000 2.355 277 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.619 277 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.619 277 G C 0.485 175.400 174.900 0.026 0.000 1.337 277 G CA -0.429 44.613 45.100 -0.096 0.000 0.993 277 G HN 0.134 nan 8.290 nan 0.000 0.599 278 C N 0.252 119.544 119.300 -0.012 0.000 2.507 278 C HA 0.182 4.642 4.460 -0.000 0.000 0.280 278 C C 2.895 177.699 174.990 -0.311 0.000 1.345 278 C CA 0.874 59.848 59.018 -0.073 0.000 1.736 278 C CB -1.229 26.241 27.740 -0.449 0.000 2.060 278 C HN 0.644 nan 8.230 nan 0.000 0.498 279 I N 2.463 122.788 120.570 -0.408 0.000 2.093 279 I HA -0.206 3.963 4.170 -0.000 0.000 0.239 279 I C -0.249 175.760 176.117 -0.179 0.000 1.026 279 I CA 2.258 63.368 61.300 -0.315 0.000 1.295 279 I CB -2.814 35.049 38.000 -0.228 0.000 1.007 279 I HN 0.165 nan 8.210 nan 0.000 0.401 280 P HA -0.198 nan 4.420 nan 0.000 0.218 280 P C 1.940 178.998 177.300 -0.403 0.000 1.154 280 P CA 1.790 64.666 63.100 -0.374 0.000 0.872 280 P CB -0.194 31.155 31.700 -0.584 0.000 0.790 281 F N -3.113 116.778 119.950 -0.098 0.000 2.206 281 F HA -0.121 4.407 4.527 0.000 0.000 0.298 281 F C 2.378 178.089 175.800 -0.148 0.000 1.090 281 F CA 1.000 58.897 58.000 -0.173 0.000 1.323 281 F CB -1.479 37.414 39.000 -0.178 0.000 1.028 281 F HN -0.108 nan 8.300 nan 0.000 0.492 282 Y N 0.702 121.027 120.300 0.043 0.000 2.165 282 Y HA -0.213 4.337 4.550 -0.001 0.000 0.286 282 Y C 2.394 178.387 175.900 0.154 0.000 1.155 282 Y CA 0.806 59.020 58.100 0.190 0.000 1.164 282 Y CB -1.244 37.352 38.460 0.227 0.000 0.978 282 Y HN 0.029 nan 8.280 nan 0.000 0.513 283 K N -1.017 119.524 120.400 0.235 0.000 2.103 283 K HA -0.242 4.077 4.320 -0.000 0.000 0.207 283 K C 2.036 178.736 176.600 0.166 0.000 1.048 283 K CA 1.647 58.028 56.287 0.157 0.000 0.930 283 K CB -0.275 32.263 32.500 0.064 0.000 0.716 283 K HN 0.273 nan 8.250 nan 0.000 0.444 284 H N -0.895 118.177 119.070 0.004 0.000 2.423 284 H HA -0.064 4.491 4.556 -0.001 0.000 0.297 284 H C 1.275 176.674 175.328 0.119 0.000 1.075 284 H CA 1.486 57.535 56.048 0.002 0.000 1.342 284 H CB 0.039 29.753 29.762 -0.079 0.000 1.395 284 H HN 0.102 nan 8.280 nan 0.000 0.530 285 F N 0.290 120.320 119.950 0.133 0.000 2.325 285 F HA -0.019 4.507 4.527 -0.001 0.000 0.299 285 F C 2.675 178.490 175.800 0.026 0.000 1.090 285 F CA 1.031 59.054 58.000 0.039 0.000 1.392 285 F CB -0.721 38.330 39.000 0.085 0.000 1.053 285 F HN 0.308 nan 8.300 nan 0.000 0.521 286 Q N 0.467 120.413 119.800 0.243 0.000 2.016 286 Q HA -0.176 4.164 4.340 -0.000 0.000 0.200 286 Q C 2.196 178.269 176.000 0.122 0.000 0.978 286 Q CA 2.711 58.618 55.803 0.173 0.000 0.833 286 Q CB -0.195 28.651 28.738 0.181 0.000 0.895 286 Q HN 0.456 nan 8.270 nan 0.000 0.427 287 T N -0.942 113.672 114.554 0.100 0.000 2.759 287 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 287 T C 1.870 176.588 174.700 0.030 0.000 1.042 287 T CA 1.197 63.338 62.100 0.068 0.000 1.140 287 T CB -0.624 68.291 68.868 0.078 0.000 0.864 287 T HN 0.388 nan 8.240 nan 0.000 0.455 288 A N 1.397 124.212 122.820 -0.010 0.000 1.865 288 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 288 A C 2.683 180.291 177.584 0.039 0.000 1.191 288 A CA 1.761 53.796 52.037 -0.004 0.000 0.623 288 A CB -1.249 17.753 19.000 0.005 0.000 0.826 288 A HN 0.392 nan 8.150 nan 0.000 0.444 289 V N -0.260 119.690 119.914 0.060 0.000 2.332 289 V HA -0.209 3.910 4.120 -0.000 0.000 0.248 289 V C 2.274 178.398 176.094 0.049 0.000 1.055 289 V CA 2.419 64.753 62.300 0.056 0.000 1.038 289 V CB -0.533 31.326 31.823 0.060 0.000 0.651 289 V HN 0.443 nan 8.190 nan 0.000 0.450 290 K N 0.363 120.795 120.400 0.052 0.000 2.458 290 K HA 0.072 4.391 4.320 -0.000 0.000 0.194 290 K C 2.092 178.712 176.600 0.034 0.000 1.024 290 K CA 0.691 57.002 56.287 0.040 0.000 1.108 290 K CB -0.326 32.202 32.500 0.047 0.000 0.846 290 K HN 0.595 nan 8.250 nan 0.000 0.518 291 S N -0.895 114.826 115.700 0.035 0.000 2.402 291 S HA -0.199 4.270 4.470 -0.000 0.000 0.233 291 S C 1.265 175.880 174.600 0.025 0.000 1.030 291 S CA 1.258 59.477 58.200 0.031 0.000 1.003 291 S CB -0.455 62.763 63.200 0.030 0.000 0.813 291 S HN 0.312 nan 8.310 nan 0.000 0.477 292 C N 2.394 121.709 119.300 0.024 0.000 2.513 292 C HA 0.671 5.131 4.460 -0.000 0.000 0.281 292 C C 0.605 175.605 174.990 0.016 0.000 1.501 292 C CA -1.046 57.983 59.018 0.019 0.000 1.749 292 C CB -1.581 26.169 27.740 0.017 0.000 2.955 292 C HN 0.438 nan 8.230 nan 0.000 0.532 293 S N -0.029 115.680 115.700 0.014 0.000 2.726 293 S HA 0.387 4.857 4.470 -0.000 0.000 0.308 293 S C -0.533 174.070 174.600 0.005 0.000 1.115 293 S CA -0.473 57.731 58.200 0.008 0.000 0.965 293 S CB 0.953 64.153 63.200 0.000 0.000 1.145 293 S HN 0.455 nan 8.310 nan 0.000 0.532 294 Q N 1.008 120.809 119.800 0.001 0.000 2.369 294 Q HA 0.359 4.699 4.340 -0.000 0.000 0.247 294 Q C 1.030 177.030 176.000 -0.001 0.000 1.083 294 Q CA 0.664 56.468 55.803 0.002 0.000 0.905 294 Q CB 0.377 29.116 28.738 0.003 0.000 1.305 294 Q HN 1.094 nan 8.270 nan 0.000 0.465 295 G N 3.019 111.822 108.800 0.005 0.000 4.365 295 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.214 295 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.214 295 G C 0.470 175.376 174.900 0.011 0.000 1.450 295 G CA 0.110 45.215 45.100 0.008 0.000 0.937 295 G HN 1.044 nan 8.290 nan 0.000 0.625 296 G N -1.809 106.990 108.800 -0.002 0.000 4.820 296 G HA2 0.520 4.480 3.960 -0.000 0.000 0.223 296 G HA3 0.520 4.480 3.960 -0.000 0.000 0.223 296 G C 0.290 175.153 174.900 -0.061 0.000 1.029 296 G CA 0.815 45.914 45.100 -0.001 0.000 1.144 296 G HN 1.458 nan 8.290 nan 0.000 0.618 297 V N 0.073 119.945 119.914 -0.071 0.000 3.264 297 V HA 0.330 4.449 4.120 -0.000 0.000 0.217 297 V C 1.112 177.152 176.094 -0.089 0.000 1.236 297 V CA 0.097 62.322 62.300 -0.126 0.000 1.287 297 V CB -0.182 31.588 31.823 -0.088 0.000 1.241 297 V HN 0.222 nan 8.190 nan 0.000 0.518 298 R N 2.282 122.756 120.500 -0.044 0.000 2.474 298 R HA 0.424 4.764 4.340 -0.000 0.000 0.339 298 R C 0.541 176.837 176.300 -0.006 0.000 1.033 298 R CA 1.100 57.188 56.100 -0.020 0.000 0.997 298 R CB -0.849 29.447 30.300 -0.007 0.000 0.963 298 R HN 0.726 nan 8.270 nan 0.000 0.438 299 G N 1.038 109.838 108.800 -0.000 0.000 2.710 299 G HA2 0.119 4.079 3.960 -0.000 0.000 0.668 299 G HA3 0.119 4.079 3.960 -0.000 0.000 0.668 299 G C 0.028 174.939 174.900 0.019 0.000 1.320 299 G CA -0.214 44.896 45.100 0.017 0.000 0.860 299 G HN 1.000 nan 8.290 nan 0.000 0.538 300 G N -1.504 107.315 108.800 0.032 0.000 3.038 300 G HA2 0.493 4.453 3.960 -0.000 0.000 0.241 300 G HA3 0.493 4.453 3.960 -0.000 0.000 0.241 300 G C 0.345 175.268 174.900 0.038 0.000 0.968 300 G CA 0.997 46.120 45.100 0.037 0.000 0.949 300 G HN 2.608 nan 8.290 nan 0.000 0.394 301 A N 1.512 124.358 122.820 0.044 0.000 2.337 301 A HA 1.172 5.492 4.320 -0.000 0.000 0.331 301 A C 0.421 178.024 177.584 0.032 0.000 1.137 301 A CA 0.332 52.397 52.037 0.046 0.000 0.807 301 A CB 1.958 20.999 19.000 0.068 0.000 1.250 301 A HN 2.623 nan 8.150 nan 0.000 0.468 302 A N 0.457 123.285 122.820 0.013 0.000 2.572 302 A HA 0.824 5.143 4.320 -0.000 0.000 0.295 302 A C -0.608 176.941 177.584 -0.058 0.000 1.072 302 A CA -0.446 51.584 52.037 -0.013 0.000 0.691 302 A CB 1.407 20.394 19.000 -0.022 0.000 1.291 302 A HN 0.894 nan 8.150 nan 0.000 0.404 303 T N 1.686 116.203 114.554 -0.062 0.000 2.881 303 T HA 0.523 4.872 4.350 -0.000 0.000 0.291 303 T C -0.897 173.647 174.700 -0.259 0.000 0.990 303 T CA -0.124 61.874 62.100 -0.171 0.000 0.976 303 T CB 0.789 69.621 68.868 -0.059 0.000 0.970 303 T HN 0.584 nan 8.240 nan 0.000 0.438 304 L N 3.896 124.908 121.223 -0.352 0.000 2.309 304 L HA 0.736 5.076 4.340 -0.000 0.000 0.282 304 L C -1.356 175.339 176.870 -0.292 0.000 1.036 304 L CA -0.664 54.072 54.840 -0.175 0.000 0.806 304 L CB 0.666 42.693 42.059 -0.053 0.000 1.220 304 L HN 0.526 nan 8.230 nan 0.000 0.429 305 F N 3.786 123.773 119.950 0.061 0.000 2.492 305 F HA 0.607 5.134 4.527 0.001 0.000 0.327 305 F C -0.624 175.267 175.800 0.152 0.000 1.079 305 F CA -0.464 57.553 58.000 0.028 0.000 0.967 305 F CB 1.590 40.628 39.000 0.064 0.000 1.169 305 F HN 0.334 nan 8.300 nan 0.000 0.472 306 Y N 0.296 120.777 120.300 0.302 0.000 2.592 306 Y HA 0.663 5.213 4.550 -0.001 0.000 0.334 306 Y C -3.393 172.567 175.900 0.099 0.000 1.136 306 Y CA -3.688 54.533 58.100 0.202 0.000 1.042 306 Y CB 0.548 39.076 38.460 0.115 0.000 1.325 306 Y HN 0.234 nan 8.280 nan 0.000 0.457 307 P HA 0.084 nan 4.420 nan 0.000 0.272 307 P C 0.461 177.659 177.300 -0.171 0.000 1.223 307 P CA -0.282 62.648 63.100 -0.284 0.000 0.784 307 P CB 1.221 32.190 31.700 -1.218 0.000 0.923 308 M N 2.123 121.610 119.600 -0.189 0.000 2.492 308 M HA 0.008 4.488 4.480 -0.000 0.000 0.262 308 M C 0.938 177.258 176.300 0.034 0.000 1.090 308 M CA 1.174 56.453 55.300 -0.035 0.000 1.110 308 M CB -0.180 32.373 32.600 -0.079 0.000 1.407 308 M HN 0.453 nan 8.290 nan 0.000 0.470 309 W N -0.526 120.795 121.300 0.036 0.000 3.290 309 W HA 0.152 4.812 4.660 -0.000 0.000 0.287 309 W C 0.296 176.907 176.519 0.153 0.000 1.288 309 W CA -0.488 56.919 57.345 0.103 0.000 1.725 309 W CB -1.333 28.219 29.460 0.154 0.000 1.103 309 W HN 0.063 nan 8.180 nan 0.000 0.670 310 H N 2.255 121.266 119.070 -0.098 0.000 2.948 310 H HA -0.095 4.461 4.556 -0.000 0.000 0.351 310 H C 0.963 176.332 175.328 0.069 0.000 1.079 310 H CA 0.904 56.929 56.048 -0.038 0.000 1.407 310 H CB 1.670 31.351 29.762 -0.135 0.000 1.373 310 H HN 0.114 nan 8.280 nan 0.000 0.605 311 L N 3.641 124.958 121.223 0.156 0.000 2.275 311 L HA -0.089 4.250 4.340 -0.000 0.000 0.215 311 L C 1.747 178.713 176.870 0.159 0.000 1.119 311 L CA 1.537 56.460 54.840 0.137 0.000 0.790 311 L CB -0.093 41.997 42.059 0.051 0.000 0.919 311 L HN 0.678 nan 8.230 nan 0.000 0.443 312 E N -1.557 118.809 120.200 0.277 0.000 2.474 312 E HA -0.050 4.299 4.350 -0.000 0.000 0.195 312 E C 2.037 178.556 176.600 -0.136 0.000 1.039 312 E CA 0.246 56.651 56.400 0.008 0.000 0.881 312 E CB 0.290 29.929 29.700 -0.102 0.000 0.970 312 E HN 0.344 nan 8.360 nan 0.000 0.486 313 V N 1.907 121.769 119.914 -0.087 0.000 2.313 313 V HA -0.364 3.756 4.120 -0.000 0.000 0.253 313 V C 1.867 177.888 176.094 -0.122 0.000 1.070 313 V CA 2.219 64.434 62.300 -0.141 0.000 1.057 313 V CB -0.116 31.710 31.823 0.004 0.000 0.653 313 V HN 0.296 nan 8.190 nan 0.000 0.450 314 E N -0.531 119.626 120.200 -0.072 0.000 2.153 314 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 314 E C 2.288 178.831 176.600 -0.095 0.000 0.988 314 E CA 1.446 57.809 56.400 -0.063 0.000 0.811 314 E CB -0.163 29.514 29.700 -0.038 0.000 0.746 314 E HN 0.637 nan 8.360 nan 0.000 0.466 315 S N 0.570 116.191 115.700 -0.132 0.000 2.446 315 S HA 0.030 4.500 4.470 -0.000 0.000 0.225 315 S C 1.948 176.415 174.600 -0.222 0.000 1.016 315 S CA 0.371 58.479 58.200 -0.154 0.000 0.943 315 S CB 0.086 63.192 63.200 -0.157 0.000 0.786 315 S HN 0.173 nan 8.310 nan 0.000 0.508 316 L N 0.639 121.672 121.223 -0.317 0.000 2.068 316 L HA 0.011 4.350 4.340 -0.000 0.000 0.204 316 L C 2.106 178.801 176.870 -0.292 0.000 1.076 316 L CA 0.480 55.051 54.840 -0.449 0.000 0.753 316 L CB -0.604 40.905 42.059 -0.916 0.000 0.910 316 L HN 0.252 nan 8.230 nan 0.000 0.439 317 L N 0.470 121.611 121.223 -0.137 0.000 2.081 317 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 317 L C 2.055 178.890 176.870 -0.057 0.000 1.080 317 L CA 1.738 56.561 54.840 -0.029 0.000 0.754 317 L CB -0.745 41.309 42.059 -0.008 0.000 0.893 317 L HN 0.266 nan 8.230 nan 0.000 0.433 318 V N -4.237 115.628 119.914 -0.081 0.000 3.110 318 V HA 0.142 4.262 4.120 -0.000 0.000 0.368 318 V C 1.702 177.758 176.094 -0.063 0.000 1.332 318 V CA 0.015 62.283 62.300 -0.054 0.000 1.287 318 V CB -0.537 31.259 31.823 -0.045 0.000 1.277 318 V HN 0.227 nan 8.190 nan 0.000 0.502 319 L N -0.116 121.043 121.223 -0.107 0.000 2.291 319 L HA 0.050 4.390 4.340 -0.000 0.000 0.214 319 L C 2.463 179.362 176.870 0.048 0.000 1.120 319 L CA 1.429 56.224 54.840 -0.075 0.000 0.799 319 L CB -0.115 41.803 42.059 -0.235 0.000 0.925 319 L HN 0.392 nan 8.230 nan 0.000 0.446 320 K N -1.108 119.341 120.400 0.082 0.000 2.308 320 K HA 0.016 4.336 4.320 -0.000 0.000 0.197 320 K C 0.670 177.290 176.600 0.033 0.000 1.049 320 K CA -0.268 56.073 56.287 0.090 0.000 0.991 320 K CB -0.050 32.523 32.500 0.120 0.000 0.836 320 K HN 0.053 nan 8.250 nan 0.000 0.500 321 N N 3.330 122.040 118.700 0.017 0.000 2.236 321 N HA -0.123 4.617 4.740 -0.000 0.000 0.274 321 N C 0.678 176.187 175.510 -0.001 0.000 1.339 321 N CA 0.157 53.210 53.050 0.005 0.000 0.845 321 N CB 0.335 38.820 38.487 -0.005 0.000 1.091 321 N HN 0.196 nan 8.380 nan 0.000 0.489 322 N N 3.907 122.608 118.700 0.002 0.000 2.120 322 N HA -0.235 4.505 4.740 -0.000 0.000 0.188 322 N C 0.496 176.002 175.510 -0.006 0.000 1.024 322 N CA 1.092 54.140 53.050 -0.003 0.000 0.852 322 N CB -0.312 38.177 38.487 0.004 0.000 1.003 322 N HN 0.551 nan 8.380 nan 0.000 0.424 323 R N 1.121 121.618 120.500 -0.005 0.000 2.605 323 R HA 0.334 4.673 4.340 -0.000 0.000 0.271 323 R C -0.494 175.798 176.300 -0.012 0.000 1.418 323 R CA 0.301 56.397 56.100 -0.008 0.000 1.102 323 R CB -0.818 29.479 30.300 -0.006 0.000 1.131 323 R HN 0.457 nan 8.270 nan 0.000 0.554 324 G N 0.948 109.739 108.800 -0.015 0.000 2.466 324 G HA2 0.099 4.059 3.960 -0.000 0.000 0.291 324 G HA3 0.099 4.059 3.960 -0.000 0.000 0.291 324 G C -1.308 173.579 174.900 -0.022 0.000 1.460 324 G CA -0.679 44.409 45.100 -0.020 0.000 0.791 324 G HN 0.304 nan 8.290 nan 0.000 0.505 325 V N 1.046 120.945 119.914 -0.025 0.000 2.599 325 V HA 0.203 4.323 4.120 -0.000 0.000 0.300 325 V C 1.781 177.858 176.094 -0.029 0.000 1.034 325 V CA 1.370 63.654 62.300 -0.027 0.000 1.115 325 V CB 1.346 33.151 31.823 -0.030 0.000 0.934 325 V HN 0.999 nan 8.190 nan 0.000 0.485 326 E N 5.122 125.307 120.200 -0.025 0.000 2.097 326 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 326 E C 1.748 178.329 176.600 -0.031 0.000 1.000 326 E CA 1.995 58.380 56.400 -0.025 0.000 0.804 326 E CB -0.598 29.091 29.700 -0.018 0.000 0.740 326 E HN 0.984 nan 8.360 nan 0.000 0.454 327 G N 0.890 109.668 108.800 -0.036 0.000 2.503 327 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.221 327 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.221 327 G C 0.877 175.743 174.900 -0.057 0.000 1.131 327 G CA 1.223 46.295 45.100 -0.047 0.000 0.756 327 G HN 0.428 nan 8.290 nan 0.000 0.572 328 N N 0.120 118.787 118.700 -0.055 0.000 2.671 328 N HA 0.324 5.063 4.740 -0.000 0.000 0.303 328 N C -0.580 174.896 175.510 -0.056 0.000 1.351 328 N CA -0.248 52.762 53.050 -0.067 0.000 0.991 328 N CB 0.724 39.169 38.487 -0.072 0.000 1.307 328 N HN -0.056 nan 8.380 nan 0.000 0.512 329 R N 0.605 121.082 120.500 -0.038 0.000 2.533 329 R HA 0.363 4.703 4.340 -0.000 0.000 0.288 329 R C -1.367 174.938 176.300 0.009 0.000 1.039 329 R CA -0.601 55.487 56.100 -0.021 0.000 0.909 329 R CB 1.805 32.088 30.300 -0.029 0.000 1.195 329 R HN -0.099 nan 8.270 nan 0.000 0.438 330 V N 5.160 125.114 119.914 0.066 0.000 2.266 330 V HA 0.299 4.418 4.120 -0.000 0.000 0.266 330 V C 1.435 177.604 176.094 0.126 0.000 1.036 330 V CA -0.342 62.038 62.300 0.133 0.000 0.828 330 V CB 0.934 32.925 31.823 0.281 0.000 1.081 330 V HN 0.600 nan 8.190 nan 0.000 0.449 331 R N 0.519 120.980 120.500 -0.066 0.000 2.148 331 R HA -0.009 4.331 4.340 -0.000 0.000 0.223 331 R C 0.762 176.974 176.300 -0.147 0.000 1.088 331 R CA 0.831 56.841 56.100 -0.150 0.000 0.985 331 R CB 0.097 30.202 30.300 -0.325 0.000 0.880 331 R HN 0.670 nan 8.270 nan 0.000 0.451 332 H N -0.563 118.549 119.070 0.071 0.000 2.640 332 H HA 0.317 4.873 4.556 -0.001 0.000 0.312 332 H C -0.018 175.302 175.328 -0.014 0.000 1.110 332 H CA 0.267 56.334 56.048 0.033 0.000 1.098 332 H CB -0.102 29.684 29.762 0.040 0.000 1.485 332 H HN 0.060 nan 8.280 nan 0.000 0.526 333 M N 0.564 120.154 119.600 -0.017 0.000 2.433 333 M HA 0.202 4.682 4.480 -0.000 0.000 0.290 333 M C -0.966 175.001 176.300 -0.555 0.000 1.173 333 M CA -0.802 54.362 55.300 -0.227 0.000 0.905 333 M CB 2.958 35.407 32.600 -0.252 0.000 1.692 333 M HN -0.039 nan 8.290 nan 0.000 0.462 334 D N 1.205 121.319 120.400 -0.477 0.000 2.283 334 D HA 0.491 5.131 4.640 -0.000 0.000 0.248 334 D C -1.330 174.471 176.300 -0.832 0.000 1.072 334 D CA 0.357 54.035 54.000 -0.538 0.000 0.929 334 D CB 0.968 41.649 40.800 -0.198 0.000 1.182 334 D HN 0.265 nan 8.370 nan 0.000 0.433 335 Y N -0.904 119.222 120.300 -0.290 0.000 2.485 335 Y HA 0.565 5.114 4.550 -0.001 0.000 0.345 335 Y C 0.805 176.447 175.900 -0.430 0.000 0.998 335 Y CA -1.141 56.774 58.100 -0.309 0.000 1.059 335 Y CB 2.340 40.734 38.460 -0.110 0.000 1.234 335 Y HN 0.342 nan 8.280 nan 0.000 0.461 336 G N 1.244 109.759 108.800 -0.475 0.000 2.644 336 G HA2 0.531 4.491 3.960 -0.000 0.000 0.300 336 G HA3 0.531 4.491 3.960 -0.000 0.000 0.300 336 G C -1.642 173.068 174.900 -0.317 0.000 1.395 336 G CA -0.620 44.260 45.100 -0.366 0.000 0.964 336 G HN 0.445 nan 8.290 nan 0.000 0.511 337 V N 2.889 122.674 119.914 -0.214 0.000 2.461 337 V HA 0.227 4.346 4.120 -0.000 0.000 0.275 337 V C 0.253 176.340 176.094 -0.011 0.000 1.047 337 V CA -0.419 61.736 62.300 -0.242 0.000 0.955 337 V CB 1.173 32.901 31.823 -0.157 0.000 0.988 337 V HN 0.727 nan 8.190 nan 0.000 0.471 338 Q N 4.886 124.709 119.800 0.039 0.000 2.296 338 Q HA 0.610 4.950 4.340 -0.000 0.000 0.257 338 Q C -0.907 175.178 176.000 0.141 0.000 0.942 338 Q CA -0.086 55.798 55.803 0.134 0.000 0.939 338 Q CB 1.608 30.493 28.738 0.244 0.000 1.198 338 Q HN 0.629 nan 8.270 nan 0.000 0.429 339 I N 2.400 122.998 120.570 0.048 0.000 2.740 339 I HA 0.413 4.583 4.170 -0.000 0.000 0.303 339 I C -0.287 175.757 176.117 -0.122 0.000 1.044 339 I CA -0.927 60.347 61.300 -0.042 0.000 1.064 339 I CB 1.888 39.758 38.000 -0.218 0.000 1.249 339 I HN 0.660 nan 8.210 nan 0.000 0.433 340 N N 2.968 121.575 118.700 -0.155 0.000 2.831 340 N HA 0.325 5.065 4.740 -0.000 0.000 0.276 340 N C 0.183 175.614 175.510 -0.131 0.000 1.416 340 N CA -0.852 52.081 53.050 -0.194 0.000 0.799 340 N CB 1.024 39.280 38.487 -0.384 0.000 1.554 340 N HN 0.322 nan 8.380 nan 0.000 0.541 341 K N -0.524 119.840 120.400 -0.061 0.000 2.059 341 K HA -0.135 4.185 4.320 -0.000 0.000 0.212 341 K C 1.605 178.214 176.600 0.013 0.000 1.050 341 K CA 1.241 57.516 56.287 -0.021 0.000 0.927 341 K CB -0.511 32.037 32.500 0.080 0.000 0.714 341 K HN 0.528 nan 8.250 nan 0.000 0.447 342 L N 1.591 122.834 121.223 0.033 0.000 2.013 342 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 342 L C 2.292 179.201 176.870 0.064 0.000 1.073 342 L CA 1.825 56.711 54.840 0.075 0.000 0.753 342 L CB -0.732 41.410 42.059 0.138 0.000 0.890 342 L HN 0.195 nan 8.230 nan 0.000 0.432 343 M N -1.480 118.138 119.600 0.030 0.000 2.082 343 M HA -0.273 4.207 4.480 -0.000 0.000 0.258 343 M C 2.444 178.796 176.300 0.086 0.000 1.069 343 M CA 1.877 57.218 55.300 0.067 0.000 1.102 343 M CB -1.571 31.029 32.600 -0.001 0.000 1.336 343 M HN 0.273 nan 8.290 nan 0.000 0.404 344 Y N 0.721 121.046 120.300 0.041 0.000 2.181 344 Y HA -0.155 4.395 4.550 -0.001 0.000 0.288 344 Y C 2.791 178.606 175.900 -0.141 0.000 1.146 344 Y CA 1.663 59.675 58.100 -0.145 0.000 1.164 344 Y CB -1.525 36.754 38.460 -0.302 0.000 0.982 344 Y HN 0.287 nan 8.280 nan 0.000 0.515 345 T N 0.220 114.822 114.554 0.080 0.000 2.684 345 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 345 T C 2.046 176.773 174.700 0.045 0.000 1.036 345 T CA 1.343 63.472 62.100 0.048 0.000 1.148 345 T CB -0.140 68.763 68.868 0.057 0.000 0.863 345 T HN 0.215 nan 8.240 nan 0.000 0.436 346 R N 0.701 121.246 120.500 0.075 0.000 2.103 346 R HA -0.074 4.266 4.340 -0.000 0.000 0.242 346 R C 2.401 178.732 176.300 0.051 0.000 1.142 346 R CA 1.027 57.180 56.100 0.089 0.000 0.960 346 R CB -1.201 29.188 30.300 0.147 0.000 0.858 346 R HN 0.346 nan 8.270 nan 0.000 0.439 347 L N 1.058 122.276 121.223 -0.008 0.000 2.046 347 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 347 L C 2.183 179.006 176.870 -0.079 0.000 1.077 347 L CA 1.558 56.330 54.840 -0.113 0.000 0.747 347 L CB -0.406 41.368 42.059 -0.474 0.000 0.896 347 L HN 0.078 nan 8.230 nan 0.000 0.432 348 L N -0.761 120.426 121.223 -0.060 0.000 2.072 348 L HA -0.166 4.174 4.340 -0.000 0.000 0.205 348 L C 2.366 179.229 176.870 -0.012 0.000 1.079 348 L CA 1.256 56.073 54.840 -0.038 0.000 0.752 348 L CB -0.509 41.532 42.059 -0.030 0.000 0.906 348 L HN 0.204 nan 8.230 nan 0.000 0.436 349 K N 0.086 120.488 120.400 0.004 0.000 2.486 349 K HA 0.048 4.368 4.320 -0.000 0.000 0.194 349 K C 1.124 177.735 176.600 0.019 0.000 1.033 349 K CA 0.565 56.861 56.287 0.015 0.000 1.004 349 K CB 0.037 32.552 32.500 0.026 0.000 0.798 349 K HN 0.424 nan 8.250 nan 0.000 0.495 350 G N 2.044 110.854 108.800 0.017 0.000 2.179 350 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 350 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 350 G C -0.123 174.800 174.900 0.038 0.000 1.010 350 G CA 0.514 45.629 45.100 0.024 0.000 0.736 350 G HN 0.406 nan 8.290 nan 0.000 0.513 351 E N -0.367 119.862 120.200 0.049 0.000 3.601 351 E HA 0.488 4.837 4.350 -0.000 0.000 0.273 351 E C -0.171 176.474 176.600 0.075 0.000 1.368 351 E CA -0.612 55.823 56.400 0.058 0.000 1.286 351 E CB 0.424 30.163 29.700 0.064 0.000 1.383 351 E HN 0.229 nan 8.360 nan 0.000 0.746 352 D N -0.235 120.213 120.400 0.080 0.000 2.326 352 D HA 0.433 5.072 4.640 -0.000 0.000 0.248 352 D C -0.693 175.686 176.300 0.131 0.000 1.001 352 D CA -0.328 53.725 54.000 0.088 0.000 0.961 352 D CB 1.145 41.979 40.800 0.056 0.000 1.183 352 D HN 0.173 nan 8.370 nan 0.000 0.502 353 I N 0.552 121.206 120.570 0.141 0.000 2.433 353 I HA 0.207 4.376 4.170 -0.000 0.000 0.292 353 I C -0.167 176.044 176.117 0.157 0.000 1.001 353 I CA -0.439 60.985 61.300 0.206 0.000 1.119 353 I CB 1.879 40.008 38.000 0.213 0.000 1.289 353 I HN 0.072 nan 8.210 nan 0.000 0.438 354 T N 7.037 121.722 114.554 0.218 0.000 2.767 354 T HA 0.516 4.866 4.350 -0.000 0.000 0.288 354 T C -0.145 174.541 174.700 -0.023 0.000 0.963 354 T CA -0.506 61.569 62.100 -0.040 0.000 1.019 354 T CB 0.593 69.311 68.868 -0.250 0.000 0.923 354 T HN 0.253 nan 8.240 nan 0.000 0.468 355 L N 3.797 124.906 121.223 -0.190 0.000 2.289 355 L HA 0.642 4.982 4.340 -0.000 0.000 0.285 355 L C -0.716 175.975 176.870 -0.298 0.000 1.049 355 L CA -0.719 54.104 54.840 -0.029 0.000 0.804 355 L CB 0.497 42.568 42.059 0.021 0.000 1.195 355 L HN 0.537 nan 8.230 nan 0.000 0.428 356 F N -0.013 120.085 119.950 0.247 0.000 2.611 356 F HA 0.402 4.929 4.527 -0.000 0.000 0.324 356 F C 0.440 176.288 175.800 0.080 0.000 1.061 356 F CA -0.719 57.356 58.000 0.125 0.000 0.954 356 F CB 2.140 41.171 39.000 0.052 0.000 1.301 356 F HN 0.296 nan 8.300 nan 0.000 0.482 357 S N 2.241 118.047 115.700 0.177 0.000 2.475 357 S HA 0.307 4.777 4.470 -0.000 0.000 0.281 357 S C -1.756 172.876 174.600 0.053 0.000 1.198 357 S CA -1.630 56.550 58.200 -0.034 0.000 1.063 357 S CB 1.057 64.225 63.200 -0.054 0.000 0.972 357 S HN 0.295 nan 8.310 nan 0.000 0.486 358 P HA -0.185 nan 4.420 nan 0.000 0.216 358 P C 1.747 179.062 177.300 0.025 0.000 1.157 358 P CA 1.752 64.935 63.100 0.138 0.000 0.880 358 P CB -0.206 31.516 31.700 0.037 0.000 0.791 359 S N -0.685 114.985 115.700 -0.051 0.000 2.387 359 S HA -0.204 4.266 4.470 -0.000 0.000 0.230 359 S C 1.481 176.026 174.600 -0.092 0.000 1.035 359 S CA 1.778 59.931 58.200 -0.078 0.000 1.014 359 S CB -1.361 61.773 63.200 -0.111 0.000 0.836 359 S HN 0.112 nan 8.310 nan 0.000 0.466 360 D N 1.295 121.635 120.400 -0.099 0.000 2.349 360 D HA 0.121 4.760 4.640 -0.000 0.000 0.224 360 D C 0.430 176.544 176.300 -0.309 0.000 1.029 360 D CA 0.485 54.397 54.000 -0.148 0.000 0.879 360 D CB 0.432 41.177 40.800 -0.091 0.000 0.906 360 D HN 0.557 nan 8.370 nan 0.000 0.528 361 V N -1.071 118.621 119.914 -0.369 0.000 2.320 361 V HA 0.402 4.522 4.120 -0.000 0.000 0.268 361 V C -2.869 173.000 176.094 -0.376 0.000 1.021 361 V CA -2.334 59.499 62.300 -0.779 0.000 0.813 361 V CB 1.013 32.238 31.823 -0.997 0.000 1.054 361 V HN -0.277 nan 8.190 nan 0.000 0.444 362 P HA 0.245 nan 4.420 nan 0.000 0.262 362 P C 1.290 178.660 177.300 0.116 0.000 1.182 362 P CA 1.891 64.989 63.100 -0.003 0.000 0.761 362 P CB 0.814 32.527 31.700 0.022 0.000 0.795 363 G N 2.541 111.422 108.800 0.134 0.000 2.184 363 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.264 363 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.264 363 G C 0.765 175.796 174.900 0.219 0.000 0.975 363 G CA 0.203 45.406 45.100 0.172 0.000 0.642 363 G HN 0.534 nan 8.290 nan 0.000 0.536 364 L N -1.009 120.342 121.223 0.213 0.000 2.044 364 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 364 L C 2.398 179.544 176.870 0.459 0.000 1.075 364 L CA 2.461 57.415 54.840 0.190 0.000 0.747 364 L CB -0.570 41.429 42.059 -0.099 0.000 0.903 364 L HN 0.421 nan 8.230 nan 0.000 0.435 365 Y N 1.314 121.880 120.300 0.444 0.000 2.081 365 Y HA -0.343 4.206 4.550 -0.001 0.000 0.280 365 Y C 2.440 178.719 175.900 0.632 0.000 1.163 365 Y CA 2.219 60.694 58.100 0.625 0.000 1.135 365 Y CB -0.189 38.568 38.460 0.495 0.000 0.970 365 Y HN 0.309 nan 8.280 nan 0.000 0.498 366 D N -0.123 120.634 120.400 0.596 0.000 2.123 366 D HA -0.202 4.437 4.640 -0.000 0.000 0.196 366 D C 2.263 178.796 176.300 0.387 0.000 0.992 366 D CA 1.491 55.764 54.000 0.454 0.000 0.833 366 D CB -0.616 40.371 40.800 0.312 0.000 0.954 366 D HN 0.493 nan 8.370 nan 0.000 0.455 367 A N 0.700 123.740 122.820 0.367 0.000 1.902 367 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 367 A C 2.062 179.836 177.584 0.317 0.000 1.181 367 A CA 0.903 53.137 52.037 0.327 0.000 0.623 367 A CB -1.013 18.188 19.000 0.335 0.000 0.818 367 A HN 0.196 nan 8.150 nan 0.000 0.443 368 F N 0.158 120.200 119.950 0.153 0.000 2.085 368 F HA -0.276 4.251 4.527 -0.001 0.000 0.299 368 F C 1.774 177.269 175.800 -0.508 0.000 1.096 368 F CA 1.981 59.725 58.000 -0.427 0.000 1.227 368 F CB -0.592 38.147 39.000 -0.435 0.000 0.983 368 F HN 0.256 nan 8.300 nan 0.000 0.482 369 F N -0.663 119.184 119.950 -0.172 0.000 2.220 369 F HA 0.180 4.706 4.527 -0.001 0.000 0.290 369 F C 2.494 178.221 175.800 -0.122 0.000 1.080 369 F CA 0.915 58.769 58.000 -0.244 0.000 1.318 369 F CB -1.393 37.508 39.000 -0.165 0.000 1.063 369 F HN -0.037 nan 8.300 nan 0.000 0.498 370 A N -1.604 121.322 122.820 0.177 0.000 1.935 370 A HA -0.030 4.290 4.320 -0.000 0.000 0.214 370 A C 0.269 177.898 177.584 0.075 0.000 1.178 370 A CA 1.374 53.477 52.037 0.110 0.000 0.640 370 A CB -0.215 18.857 19.000 0.118 0.000 0.825 370 A HN 0.244 nan 8.150 nan 0.000 0.447 371 D N -1.440 119.013 120.400 0.088 0.000 2.479 371 D HA 0.273 4.913 4.640 -0.000 0.000 0.246 371 D C 0.391 176.753 176.300 0.103 0.000 1.336 371 D CA -0.390 53.658 54.000 0.080 0.000 0.967 371 D CB 1.036 41.886 40.800 0.084 0.000 1.275 371 D HN -0.015 nan 8.370 nan 0.000 0.577 372 Q N 1.819 121.660 119.800 0.067 0.000 2.119 372 Q HA -0.110 4.229 4.340 -0.000 0.000 0.201 372 Q C 1.268 177.354 176.000 0.144 0.000 0.972 372 Q CA 1.086 56.945 55.803 0.094 0.000 0.847 372 Q CB 0.269 29.031 28.738 0.040 0.000 0.903 372 Q HN 0.618 nan 8.270 nan 0.000 0.433 373 E N 0.895 121.151 120.200 0.093 0.000 2.023 373 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 373 E C 1.956 178.601 176.600 0.074 0.000 1.003 373 E CA 1.397 57.840 56.400 0.072 0.000 0.809 373 E CB -0.136 29.590 29.700 0.043 0.000 0.755 373 E HN 0.389 nan 8.360 nan 0.000 0.449 374 E N 0.533 120.780 120.200 0.079 0.000 2.077 374 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 374 E C 1.916 178.557 176.600 0.069 0.000 0.989 374 E CA 0.839 57.273 56.400 0.057 0.000 0.800 374 E CB -0.472 29.270 29.700 0.069 0.000 0.746 374 E HN 0.205 nan 8.360 nan 0.000 0.452 375 F N 1.521 121.481 119.950 0.015 0.000 2.043 375 F HA -0.239 4.287 4.527 -0.001 0.000 0.297 375 F C 2.257 178.059 175.800 0.004 0.000 1.121 375 F CA 2.444 60.454 58.000 0.017 0.000 1.199 375 F CB -0.622 38.403 39.000 0.041 0.000 0.968 375 F HN 0.144 nan 8.300 nan 0.000 0.478 376 E N 0.158 120.419 120.200 0.102 0.000 2.065 376 E HA -0.343 4.006 4.350 -0.000 0.000 0.201 376 E C 2.533 179.082 176.600 -0.085 0.000 1.016 376 E CA 1.899 58.309 56.400 0.015 0.000 0.818 376 E CB -0.381 29.378 29.700 0.099 0.000 0.749 376 E HN 0.427 nan 8.360 nan 0.000 0.453 377 R N 0.016 120.469 120.500 -0.078 0.000 2.097 377 R HA -0.214 4.126 4.340 -0.000 0.000 0.236 377 R C 2.516 178.671 176.300 -0.243 0.000 1.135 377 R CA 2.113 58.138 56.100 -0.125 0.000 0.934 377 R CB -0.425 29.818 30.300 -0.094 0.000 0.846 377 R HN 0.234 nan 8.270 nan 0.000 0.431 378 L N -0.919 120.118 121.223 -0.309 0.000 2.046 378 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 378 L C 2.478 178.996 176.870 -0.587 0.000 1.077 378 L CA 1.350 55.867 54.840 -0.538 0.000 0.747 378 L CB -0.796 41.023 42.059 -0.401 0.000 0.896 378 L HN 0.231 nan 8.230 nan 0.000 0.432 379 Y N 1.453 121.363 120.300 -0.650 0.000 2.128 379 Y HA -0.330 4.220 4.550 -0.001 0.000 0.284 379 Y C 2.933 178.631 175.900 -0.336 0.000 1.154 379 Y CA 2.135 59.862 58.100 -0.622 0.000 1.149 379 Y CB -0.602 37.351 38.460 -0.845 0.000 0.976 379 Y HN 0.354 nan 8.280 nan 0.000 0.505 380 T N -1.501 112.922 114.554 -0.219 0.000 2.643 380 T HA -0.254 4.096 4.350 -0.000 0.000 0.264 380 T C 2.014 176.574 174.700 -0.233 0.000 1.045 380 T CA 1.652 63.641 62.100 -0.184 0.000 1.155 380 T CB -0.670 68.141 68.868 -0.096 0.000 0.863 380 T HN 0.322 nan 8.240 nan 0.000 0.420 381 K N 0.152 120.372 120.400 -0.300 0.000 2.015 381 K HA -0.231 4.089 4.320 -0.000 0.000 0.216 381 K C 2.222 178.656 176.600 -0.276 0.000 1.052 381 K CA 1.974 58.066 56.287 -0.324 0.000 0.937 381 K CB -0.477 31.744 32.500 -0.464 0.000 0.719 381 K HN 0.418 nan 8.250 nan 0.000 0.446 382 Y N 1.415 121.543 120.300 -0.288 0.000 2.274 382 Y HA -0.140 4.410 4.550 -0.000 0.000 0.290 382 Y C 2.224 178.041 175.900 -0.138 0.000 1.145 382 Y CA 1.170 59.080 58.100 -0.317 0.000 1.203 382 Y CB -0.524 37.526 38.460 -0.683 0.000 0.984 382 Y HN 0.295 nan 8.280 nan 0.000 0.533 383 E N 0.123 120.305 120.200 -0.030 0.000 2.070 383 E HA -0.259 4.091 4.350 -0.000 0.000 0.197 383 E C 1.995 178.606 176.600 0.017 0.000 1.004 383 E CA 1.716 58.130 56.400 0.024 0.000 0.805 383 E CB -0.066 29.550 29.700 -0.140 0.000 0.744 383 E HN 0.356 nan 8.360 nan 0.000 0.451 384 K N 0.876 121.263 120.400 -0.020 0.000 2.031 384 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 384 K C 0.606 177.212 176.600 0.011 0.000 1.049 384 K CA 0.435 56.713 56.287 -0.014 0.000 0.939 384 K CB -0.091 32.389 32.500 -0.035 0.000 0.717 384 K HN -0.006 nan 8.250 nan 0.000 0.438 385 D N 1.553 121.969 120.400 0.028 0.000 2.661 385 D HA -0.115 4.525 4.640 -0.000 0.000 0.244 385 D C -0.351 175.979 176.300 0.051 0.000 1.196 385 D CA 0.508 54.537 54.000 0.049 0.000 0.881 385 D CB 0.383 41.246 40.800 0.105 0.000 1.141 385 D HN 0.153 nan 8.370 nan 0.000 0.530 386 D N 1.144 121.560 120.400 0.027 0.000 2.224 386 D HA -0.122 4.518 4.640 -0.000 0.000 0.205 386 D C 1.963 178.276 176.300 0.021 0.000 0.965 386 D CA 0.864 54.877 54.000 0.020 0.000 0.852 386 D CB 0.257 41.063 40.800 0.009 0.000 0.947 386 D HN 0.340 nan 8.370 nan 0.000 0.494 387 S N 0.840 116.553 115.700 0.021 0.000 2.382 387 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 387 S C 1.031 175.639 174.600 0.013 0.000 1.027 387 S CA 0.421 58.629 58.200 0.013 0.000 0.991 387 S CB -0.269 62.936 63.200 0.007 0.000 0.823 387 S HN 0.161 nan 8.310 nan 0.000 0.469 388 I N 3.083 123.670 120.570 0.029 0.000 2.668 388 I HA 0.126 4.295 4.170 -0.000 0.000 0.285 388 I C 0.868 177.020 176.117 0.058 0.000 1.168 388 I CA 0.037 61.363 61.300 0.044 0.000 1.424 388 I CB -0.416 37.642 38.000 0.096 0.000 1.377 388 I HN 0.265 nan 8.210 nan 0.000 0.560 389 R N 7.582 128.104 120.500 0.036 0.000 2.491 389 R HA 0.300 4.640 4.340 -0.000 0.000 0.283 389 R C -0.333 175.951 176.300 -0.026 0.000 1.072 389 R CA -0.021 56.084 56.100 0.008 0.000 1.048 389 R CB 0.630 30.933 30.300 0.005 0.000 0.983 389 R HN 0.881 nan 8.270 nan 0.000 0.450 390 K N 2.084 122.413 120.400 -0.118 0.000 2.617 390 K HA 0.276 4.595 4.320 -0.000 0.000 0.293 390 K C -1.781 174.679 176.600 -0.235 0.000 1.034 390 K CA -1.131 54.960 56.287 -0.327 0.000 0.884 390 K CB 1.516 33.683 32.500 -0.555 0.000 1.541 390 K HN 0.512 nan 8.250 nan 0.000 0.409 391 Q N 1.043 120.677 119.800 -0.276 0.000 2.320 391 Q HA 0.291 4.631 4.340 -0.000 0.000 0.272 391 Q C -1.383 174.534 176.000 -0.140 0.000 1.023 391 Q CA -0.829 54.883 55.803 -0.152 0.000 0.855 391 Q CB 2.010 30.692 28.738 -0.092 0.000 1.367 391 Q HN 0.600 nan 8.270 nan 0.000 0.406 392 R N 1.394 121.842 120.500 -0.087 0.000 2.428 392 R HA 0.597 4.937 4.340 -0.000 0.000 0.294 392 R C -0.231 176.063 176.300 -0.011 0.000 1.000 392 R CA -0.374 55.697 56.100 -0.049 0.000 0.960 392 R CB 1.485 31.763 30.300 -0.036 0.000 1.076 392 R HN 0.509 nan 8.270 nan 0.000 0.475 393 V N -1.169 118.756 119.914 0.019 0.000 3.007 393 V HA 0.492 4.612 4.120 -0.000 0.000 0.311 393 V C -0.187 175.942 176.094 0.059 0.000 1.120 393 V CA -1.388 60.933 62.300 0.035 0.000 0.980 393 V CB 2.156 34.003 31.823 0.039 0.000 1.033 393 V HN 0.570 nan 8.190 nan 0.000 0.429 394 K N 1.911 122.346 120.400 0.058 0.000 2.412 394 K HA 0.546 4.865 4.320 -0.000 0.000 0.281 394 K C 1.351 178.020 176.600 0.114 0.000 1.027 394 K CA 0.652 56.984 56.287 0.074 0.000 0.989 394 K CB 1.261 33.796 32.500 0.059 0.000 0.935 394 K HN 1.000 nan 8.250 nan 0.000 0.475 395 A N 3.919 126.824 122.820 0.141 0.000 1.903 395 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 395 A C 1.866 179.622 177.584 0.287 0.000 1.191 395 A CA 2.193 54.370 52.037 0.233 0.000 0.638 395 A CB -0.739 18.376 19.000 0.192 0.000 0.823 395 A HN 0.611 nan 8.150 nan 0.000 0.451 396 V N -0.074 119.939 119.914 0.165 0.000 2.332 396 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 396 V C 2.347 178.533 176.094 0.152 0.000 1.055 396 V CA 2.436 64.820 62.300 0.140 0.000 1.038 396 V CB -1.093 30.775 31.823 0.075 0.000 0.651 396 V HN 0.657 nan 8.190 nan 0.000 0.450 397 E N -0.077 120.193 120.200 0.118 0.000 2.028 397 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 397 E C 2.142 178.799 176.600 0.095 0.000 0.988 397 E CA 1.252 57.705 56.400 0.088 0.000 0.799 397 E CB -0.287 29.449 29.700 0.059 0.000 0.755 397 E HN 0.398 nan 8.360 nan 0.000 0.447 398 L N 0.524 121.808 121.223 0.102 0.000 1.971 398 L HA -0.212 4.128 4.340 -0.000 0.000 0.215 398 L C 2.070 178.955 176.870 0.024 0.000 1.072 398 L CA 1.774 56.640 54.840 0.042 0.000 0.758 398 L CB -0.694 41.376 42.059 0.018 0.000 0.889 398 L HN 0.059 nan 8.230 nan 0.000 0.433 399 F N -0.440 119.535 119.950 0.042 0.000 2.065 399 F HA -0.296 4.231 4.527 -0.001 0.000 0.298 399 F C 2.725 178.552 175.800 0.045 0.000 1.112 399 F CA 1.986 60.014 58.000 0.048 0.000 1.212 399 F CB -0.982 38.052 39.000 0.057 0.000 0.975 399 F HN 0.077 nan 8.300 nan 0.000 0.476 400 S N 0.188 116.020 115.700 0.219 0.000 2.365 400 S HA -0.251 4.218 4.470 -0.000 0.000 0.225 400 S C 1.994 176.640 174.600 0.075 0.000 1.039 400 S CA 1.560 59.833 58.200 0.122 0.000 1.033 400 S CB -0.746 62.506 63.200 0.087 0.000 0.887 400 S HN 0.308 nan 8.310 nan 0.000 0.447 401 L N 1.482 122.739 121.223 0.056 0.000 2.042 401 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 401 L C 2.264 179.148 176.870 0.022 0.000 1.076 401 L CA 1.955 56.812 54.840 0.027 0.000 0.749 401 L CB -0.493 41.574 42.059 0.013 0.000 0.893 401 L HN 0.406 nan 8.230 nan 0.000 0.432 402 M N -1.730 117.880 119.600 0.017 0.000 2.077 402 M HA -0.225 4.254 4.480 -0.000 0.000 0.261 402 M C 2.095 178.424 176.300 0.048 0.000 1.070 402 M CA 1.844 57.152 55.300 0.013 0.000 1.125 402 M CB -0.058 32.516 32.600 -0.044 0.000 1.339 402 M HN 0.272 nan 8.290 nan 0.000 0.409 403 M N 0.396 120.044 119.600 0.080 0.000 2.117 403 M HA -0.222 4.257 4.480 -0.000 0.000 0.262 403 M C 2.146 178.474 176.300 0.047 0.000 1.065 403 M CA 1.842 57.194 55.300 0.087 0.000 1.114 403 M CB -1.709 30.954 32.600 0.105 0.000 1.361 403 M HN 0.508 nan 8.290 nan 0.000 0.408 404 Q N 0.282 120.101 119.800 0.033 0.000 1.985 404 Q HA -0.225 4.115 4.340 -0.000 0.000 0.207 404 Q C 1.908 177.918 176.000 0.017 0.000 0.996 404 Q CA 1.792 57.603 55.803 0.014 0.000 0.851 404 Q CB 0.034 28.779 28.738 0.013 0.000 0.921 404 Q HN 0.329 nan 8.270 nan 0.000 0.418 405 E N 0.258 120.471 120.200 0.021 0.000 2.118 405 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 405 E C 1.900 178.517 176.600 0.029 0.000 0.992 405 E CA 1.098 57.512 56.400 0.022 0.000 0.804 405 E CB -0.323 29.389 29.700 0.020 0.000 0.741 405 E HN 0.355 nan 8.360 nan 0.000 0.458 406 R N 0.455 120.980 120.500 0.041 0.000 2.073 406 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 406 R C 2.201 178.542 176.300 0.068 0.000 1.134 406 R CA 1.556 57.691 56.100 0.058 0.000 0.952 406 R CB -0.208 30.149 30.300 0.095 0.000 0.850 406 R HN 0.137 nan 8.270 nan 0.000 0.433 407 A N 0.461 123.315 122.820 0.057 0.000 1.858 407 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 407 A C 2.234 179.841 177.584 0.039 0.000 1.190 407 A CA 2.017 54.083 52.037 0.048 0.000 0.617 407 A CB -0.717 18.281 19.000 -0.003 0.000 0.827 407 A HN 0.504 nan 8.150 nan 0.000 0.443 408 S N -0.243 115.471 115.700 0.023 0.000 2.359 408 S HA -0.198 4.272 4.470 -0.000 0.000 0.223 408 S C 2.148 176.763 174.600 0.024 0.000 1.039 408 S CA 2.246 60.457 58.200 0.018 0.000 1.042 408 S CB -0.837 62.370 63.200 0.013 0.000 0.915 408 S HN 0.912 nan 8.310 nan 0.000 0.439 409 T N -2.374 112.197 114.554 0.028 0.000 3.031 409 T HA 0.422 4.772 4.350 -0.000 0.000 0.254 409 T C 1.694 176.415 174.700 0.035 0.000 1.060 409 T CA 1.023 63.139 62.100 0.027 0.000 1.135 409 T CB -0.246 68.635 68.868 0.023 0.000 0.896 409 T HN 0.752 nan 8.240 nan 0.000 0.472 410 G N 2.169 111.001 108.800 0.053 0.000 2.179 410 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 410 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 410 G C 0.723 175.701 174.900 0.131 0.000 0.977 410 G CA 0.160 45.322 45.100 0.102 0.000 0.641 410 G HN 0.577 nan 8.290 nan 0.000 0.533 411 R N -0.145 120.338 120.500 -0.028 0.000 2.662 411 R HA 0.377 4.717 4.340 -0.000 0.000 0.396 411 R C 0.117 176.029 176.300 -0.646 0.000 1.096 411 R CA -0.250 55.657 56.100 -0.323 0.000 1.081 411 R CB 0.423 30.621 30.300 -0.170 0.000 1.382 411 R HN 0.375 nan 8.270 nan 0.000 0.580 412 I N 2.238 122.600 120.570 -0.347 0.000 2.371 412 I HA 0.281 4.451 4.170 -0.000 0.000 0.282 412 I C -0.408 175.643 176.117 -0.110 0.000 1.031 412 I CA -1.232 59.929 61.300 -0.232 0.000 1.180 412 I CB 0.199 38.178 38.000 -0.036 0.000 1.336 412 I HN -0.071 nan 8.210 nan 0.000 0.467 413 Y N 6.084 126.407 120.300 0.039 0.000 2.354 413 Y HA 0.546 5.096 4.550 0.000 0.000 0.322 413 Y C 0.361 176.307 175.900 0.077 0.000 1.253 413 Y CA -1.255 56.887 58.100 0.071 0.000 1.272 413 Y CB 1.065 39.565 38.460 0.067 0.000 1.255 413 Y HN 0.326 nan 8.280 nan 0.000 0.500 414 I N 1.448 122.209 120.570 0.319 0.000 2.474 414 I HA 0.347 4.517 4.170 -0.000 0.000 0.294 414 I C -0.615 175.659 176.117 0.262 0.000 1.005 414 I CA -0.578 60.871 61.300 0.249 0.000 1.113 414 I CB 1.826 39.984 38.000 0.263 0.000 1.289 414 I HN 0.486 nan 8.210 nan 0.000 0.436 415 Q N 5.400 125.340 119.800 0.233 0.000 2.303 415 Q HA 0.369 4.709 4.340 -0.000 0.000 0.267 415 Q C -1.442 174.649 176.000 0.152 0.000 1.011 415 Q CA -0.724 55.204 55.803 0.209 0.000 0.740 415 Q CB 1.228 30.107 28.738 0.233 0.000 1.250 415 Q HN 0.533 nan 8.270 nan 0.000 0.458 416 N N 4.297 123.100 118.700 0.172 0.000 2.508 416 N HA 0.018 4.758 4.740 -0.000 0.000 0.253 416 N C 1.355 176.879 175.510 0.024 0.000 1.145 416 N CA 0.135 53.269 53.050 0.140 0.000 0.973 416 N CB 1.287 39.929 38.487 0.260 0.000 1.305 416 N HN 0.525 nan 8.380 nan 0.000 0.506 417 V N 0.299 120.136 119.914 -0.128 0.000 2.282 417 V HA -0.320 3.799 4.120 -0.000 0.000 0.249 417 V C 1.840 177.828 176.094 -0.177 0.000 1.057 417 V CA 2.003 64.172 62.300 -0.218 0.000 1.032 417 V CB -0.557 30.855 31.823 -0.685 0.000 0.645 417 V HN 0.434 nan 8.190 nan 0.000 0.447 418 D N 0.084 120.343 120.400 -0.236 0.000 2.087 418 D HA -0.287 4.352 4.640 -0.000 0.000 0.192 418 D C 1.963 178.289 176.300 0.043 0.000 0.993 418 D CA 2.377 56.303 54.000 -0.124 0.000 0.828 418 D CB -1.053 39.683 40.800 -0.107 0.000 0.968 418 D HN 0.540 nan 8.370 nan 0.000 0.448 419 H N 0.171 119.246 119.070 0.009 0.000 2.321 419 H HA -0.089 4.466 4.556 -0.000 0.000 0.295 419 H C 2.563 177.903 175.328 0.020 0.000 1.102 419 H CA 1.016 57.059 56.048 -0.010 0.000 1.266 419 H CB -1.125 28.611 29.762 -0.043 0.000 1.363 419 H HN 0.306 nan 8.280 nan 0.000 0.492 420 C N 0.749 120.136 119.300 0.145 0.000 2.403 420 C HA -0.118 4.341 4.460 -0.000 0.000 0.279 420 C C 2.327 177.355 174.990 0.063 0.000 1.269 420 C CA 1.095 60.162 59.018 0.082 0.000 1.774 420 C CB -0.599 27.174 27.740 0.055 0.000 1.993 420 C HN 0.611 nan 8.230 nan 0.000 0.496 421 N N -0.660 118.075 118.700 0.059 0.000 2.294 421 N HA -0.034 4.706 4.740 -0.000 0.000 0.186 421 N C 1.771 177.309 175.510 0.047 0.000 1.107 421 N CA 1.318 54.399 53.050 0.053 0.000 0.884 421 N CB -0.135 38.382 38.487 0.050 0.000 1.030 421 N HN 0.695 nan 8.380 nan 0.000 0.482 422 T N -2.089 112.502 114.554 0.062 0.000 2.978 422 T HA -0.070 4.280 4.350 -0.000 0.000 0.262 422 T C 0.845 175.587 174.700 0.071 0.000 1.063 422 T CA 0.948 63.080 62.100 0.054 0.000 1.140 422 T CB -0.216 68.689 68.868 0.060 0.000 0.886 422 T HN 0.109 nan 8.240 nan 0.000 0.470 423 H N 1.472 120.518 119.070 -0.040 0.000 2.360 423 H HA 0.639 5.195 4.556 -0.001 0.000 0.233 423 H C -0.401 174.893 175.328 -0.057 0.000 1.473 423 H CA -0.665 55.339 56.048 -0.074 0.000 1.352 423 H CB 0.024 29.724 29.762 -0.104 0.000 1.493 423 H HN 0.405 nan 8.280 nan 0.000 0.533 424 S N 1.767 117.353 115.700 -0.189 0.000 2.697 424 S HA 0.476 4.946 4.470 -0.000 0.000 0.289 424 S C -2.331 172.110 174.600 -0.265 0.000 1.149 424 S CA -1.413 56.665 58.200 -0.203 0.000 0.850 424 S CB 1.915 65.107 63.200 -0.013 0.000 1.151 424 S HN 0.181 nan 8.310 nan 0.000 0.491 425 P HA 0.291 nan 4.420 nan 0.000 0.235 425 P C -0.456 176.523 177.300 -0.535 0.000 1.177 425 P CA 0.451 63.242 63.100 -0.514 0.000 0.785 425 P CB -0.139 31.266 31.700 -0.493 0.000 0.885 426 F N 0.014 119.923 119.950 -0.068 0.000 2.440 426 F HA 0.361 4.888 4.527 -0.000 0.000 0.328 426 F C 0.913 176.675 175.800 -0.064 0.000 1.070 426 F CA -1.207 56.763 58.000 -0.050 0.000 1.011 426 F CB 0.431 39.416 39.000 -0.025 0.000 1.226 426 F HN -0.314 nan 8.300 nan 0.000 0.491 427 D N 3.360 123.849 120.400 0.149 0.000 2.316 427 D HA 0.193 4.833 4.640 -0.000 0.000 0.245 427 D C -1.734 174.603 176.300 0.061 0.000 1.171 427 D CA -2.356 51.680 54.000 0.060 0.000 0.856 427 D CB 1.520 42.334 40.800 0.023 0.000 1.090 427 D HN 0.087 nan 8.370 nan 0.000 0.476 428 P HA -0.128 nan 4.420 nan 0.000 0.218 428 P C 0.984 178.299 177.300 0.026 0.000 1.148 428 P CA 1.013 64.136 63.100 0.038 0.000 0.822 428 P CB 0.171 31.898 31.700 0.045 0.000 0.784 429 A N -0.708 122.126 122.820 0.022 0.000 1.930 429 A HA -0.123 4.196 4.320 -0.000 0.000 0.217 429 A C 2.156 179.737 177.584 -0.005 0.000 1.175 429 A CA 1.489 53.535 52.037 0.015 0.000 0.627 429 A CB -1.332 17.675 19.000 0.011 0.000 0.815 429 A HN 0.188 nan 8.150 nan 0.000 0.443 430 I N -1.789 118.773 120.570 -0.014 0.000 2.556 430 I HA 0.232 4.402 4.170 -0.000 0.000 0.251 430 I C 1.087 177.163 176.117 -0.068 0.000 1.105 430 I CA 1.014 62.288 61.300 -0.043 0.000 1.436 430 I CB 0.156 38.129 38.000 -0.045 0.000 1.139 430 I HN 0.204 nan 8.210 nan 0.000 0.438 431 A N 2.158 124.945 122.820 -0.055 0.000 2.876 431 A HA 0.557 4.876 4.320 -0.000 0.000 0.309 431 A C -2.776 174.722 177.584 -0.144 0.000 1.168 431 A CA -1.050 50.909 52.037 -0.131 0.000 0.762 431 A CB -0.003 18.885 19.000 -0.186 0.000 1.262 431 A HN -0.102 nan 8.150 nan 0.000 0.435 432 P HA 0.366 nan 4.420 nan 0.000 0.281 432 P C -0.245 176.938 177.300 -0.196 0.000 1.249 432 P CA -0.192 62.844 63.100 -0.106 0.000 0.810 432 P CB 1.551 33.204 31.700 -0.079 0.000 1.008 433 V N 4.597 124.429 119.914 -0.137 0.000 2.406 433 V HA 0.249 4.369 4.120 -0.000 0.000 0.272 433 V C 1.140 177.095 176.094 -0.231 0.000 1.043 433 V CA 0.066 62.264 62.300 -0.171 0.000 0.915 433 V CB 0.381 32.164 31.823 -0.066 0.000 0.988 433 V HN 0.506 nan 8.190 nan 0.000 0.466 434 R N 3.852 124.119 120.500 -0.389 0.000 2.690 434 R HA 0.351 4.691 4.340 -0.000 0.000 0.419 434 R C -0.073 176.035 176.300 -0.319 0.000 1.090 434 R CA -0.219 55.500 56.100 -0.635 0.000 1.064 434 R CB 0.535 30.097 30.300 -1.229 0.000 1.391 434 R HN 0.876 nan 8.270 nan 0.000 0.586 435 Q N -2.086 117.508 119.800 -0.342 0.000 3.083 435 Q HA 0.284 4.624 4.340 -0.000 0.000 0.310 435 Q C -1.720 173.843 176.000 -0.729 0.000 0.880 435 Q CA -0.687 54.701 55.803 -0.692 0.000 0.809 435 Q CB 0.862 29.278 28.738 -0.538 0.000 1.596 435 Q HN 0.022 nan 8.270 nan 0.000 0.487 436 S N -0.171 114.839 115.700 -1.150 0.000 2.900 436 S HA 0.641 5.111 4.470 -0.000 0.000 0.320 436 S C -0.959 173.554 174.600 -0.145 0.000 1.130 436 S CA -0.014 57.929 58.200 -0.428 0.000 0.863 436 S CB 1.168 64.264 63.200 -0.172 0.000 1.295 436 S HN 0.822 nan 8.310 nan 0.000 0.596 437 N N 0.536 119.241 118.700 0.008 0.000 2.717 437 N HA 0.224 4.964 4.740 -0.000 0.000 0.314 437 N C 1.025 176.605 175.510 0.117 0.000 1.324 437 N CA -0.584 52.496 53.050 0.050 0.000 0.902 437 N CB -0.723 37.746 38.487 -0.030 0.000 1.126 437 N HN 0.469 nan 8.380 nan 0.000 0.579 438 L N 0.387 121.635 121.223 0.042 0.000 1.989 438 L HA -0.033 4.306 4.340 -0.000 0.000 0.211 438 L C 1.511 178.344 176.870 -0.061 0.000 1.071 438 L CA 1.769 56.631 54.840 0.036 0.000 0.749 438 L CB -0.702 41.374 42.059 0.028 0.000 0.890 438 L HN 0.716 nan 8.230 nan 0.000 0.431 439 C N 0.781 119.943 119.300 -0.231 0.000 2.480 439 C HA 0.342 4.802 4.460 -0.000 0.000 0.317 439 C C 0.941 175.380 174.990 -0.919 0.000 1.300 439 C CA -1.047 57.538 59.018 -0.722 0.000 1.706 439 C CB -1.486 25.922 27.740 -0.553 0.000 1.840 439 C HN 0.542 nan 8.230 nan 0.000 0.596 440 L N 2.347 123.303 121.223 -0.444 0.000 3.737 440 L HA -0.186 4.154 4.340 -0.000 0.000 0.418 440 L C 1.608 178.343 176.870 -0.225 0.000 1.216 440 L CA 1.646 56.328 54.840 -0.263 0.000 0.915 440 L CB -1.662 40.214 42.059 -0.305 0.000 1.834 440 L HN 0.704 nan 8.230 nan 0.000 0.943 441 E N -1.408 118.674 120.200 -0.197 0.000 2.541 441 E HA 0.113 4.463 4.350 -0.000 0.000 0.219 441 E C 0.708 177.262 176.600 -0.077 0.000 0.922 441 E CA -0.163 56.159 56.400 -0.131 0.000 1.095 441 E CB 0.708 30.324 29.700 -0.140 0.000 1.112 441 E HN 0.389 nan 8.360 nan 0.000 0.516 442 I N 2.191 122.717 120.570 -0.074 0.000 2.385 442 I HA 0.487 4.657 4.170 -0.000 0.000 0.294 442 I C -0.193 175.892 176.117 -0.053 0.000 0.988 442 I CA -0.857 60.414 61.300 -0.048 0.000 1.265 442 I CB 1.281 39.252 38.000 -0.048 0.000 1.388 442 I HN 0.110 nan 8.210 nan 0.000 0.480 443 A N 8.203 131.011 122.820 -0.020 0.000 2.702 443 A HA 0.749 5.069 4.320 -0.000 0.000 0.305 443 A C -0.882 176.716 177.584 0.023 0.000 1.213 443 A CA -0.378 51.645 52.037 -0.023 0.000 0.745 443 A CB 0.541 19.543 19.000 0.002 0.000 1.161 443 A HN 0.617 nan 8.150 nan 0.000 0.445 444 L N 2.041 123.231 121.223 -0.055 0.000 2.350 444 L HA 0.639 4.979 4.340 -0.000 0.000 0.260 444 L C -2.504 174.222 176.870 -0.241 0.000 1.015 444 L CA -2.561 52.216 54.840 -0.105 0.000 0.821 444 L CB 2.910 44.941 42.059 -0.047 0.000 1.370 444 L HN 0.341 nan 8.230 nan 0.000 0.416 445 P HA 0.275 nan 4.420 nan 0.000 0.279 445 P C -1.050 176.119 177.300 -0.217 0.000 1.239 445 P CA -0.247 62.635 63.100 -0.364 0.000 0.789 445 P CB 1.069 32.461 31.700 -0.513 0.000 0.933 446 T N -0.706 113.740 114.554 -0.179 0.000 2.900 446 T HA 0.699 5.049 4.350 -0.000 0.000 0.303 446 T C -0.842 173.801 174.700 -0.094 0.000 1.142 446 T CA -0.998 61.033 62.100 -0.116 0.000 1.007 446 T CB 1.838 70.635 68.868 -0.118 0.000 1.156 446 T HN 0.193 nan 8.240 nan 0.000 0.490 447 K N 1.744 122.112 120.400 -0.054 0.000 2.443 447 K HA 0.570 4.890 4.320 -0.000 0.000 0.252 447 K C -2.890 173.698 176.600 -0.020 0.000 0.933 447 K CA -2.262 54.001 56.287 -0.039 0.000 0.792 447 K CB 2.310 34.790 32.500 -0.034 0.000 1.185 447 K HN 0.399 nan 8.250 nan 0.000 0.425 448 P HA 0.046 nan 4.420 nan 0.000 0.269 448 P C -0.853 176.451 177.300 0.008 0.000 1.215 448 P CA -0.362 62.735 63.100 -0.004 0.000 0.780 448 P CB 0.563 32.261 31.700 -0.004 0.000 0.898 449 L N 2.755 123.989 121.223 0.019 0.000 2.375 449 L HA 0.365 4.704 4.340 -0.000 0.000 0.268 449 L C 1.591 178.480 176.870 0.031 0.000 1.058 449 L CA 0.206 55.063 54.840 0.029 0.000 0.803 449 L CB 0.253 42.336 42.059 0.041 0.000 1.212 449 L HN 0.288 nan 8.230 nan 0.000 0.451 450 N N 0.525 119.243 118.700 0.031 0.000 2.184 450 N HA 0.117 4.856 4.740 -0.000 0.000 0.206 450 N C -0.857 174.676 175.510 0.038 0.000 1.151 450 N CA 0.236 53.304 53.050 0.030 0.000 0.878 450 N CB 0.901 39.401 38.487 0.022 0.000 1.014 450 N HN 0.682 nan 8.380 nan 0.000 0.512 451 D N -0.745 119.680 120.400 0.043 0.000 2.766 451 D HA -0.033 4.607 4.640 -0.000 0.000 0.244 451 D C 1.011 177.341 176.300 0.050 0.000 1.198 451 D CA -0.361 53.667 54.000 0.046 0.000 0.739 451 D CB 1.309 42.132 40.800 0.038 0.000 1.379 451 D HN -0.257 nan 8.370 nan 0.000 0.437 452 V N 2.109 122.055 119.914 0.054 0.000 2.317 452 V HA -0.212 3.908 4.120 -0.000 0.000 0.251 452 V C 1.766 177.889 176.094 0.049 0.000 1.065 452 V CA 1.675 64.008 62.300 0.055 0.000 1.049 452 V CB -0.607 31.246 31.823 0.049 0.000 0.651 452 V HN 0.574 nan 8.190 nan 0.000 0.450 453 N N 0.005 118.728 118.700 0.040 0.000 2.336 453 N HA 0.022 4.762 4.740 -0.000 0.000 0.189 453 N C 0.462 175.993 175.510 0.035 0.000 1.113 453 N CA 0.085 53.156 53.050 0.035 0.000 0.858 453 N CB -0.150 38.353 38.487 0.027 0.000 0.970 453 N HN 0.567 nan 8.380 nan 0.000 0.471 454 D N 1.952 122.374 120.400 0.037 0.000 2.581 454 D HA -0.099 4.541 4.640 -0.000 0.000 0.238 454 D C 1.002 177.324 176.300 0.036 0.000 1.145 454 D CA 0.524 54.544 54.000 0.033 0.000 0.866 454 D CB 0.790 41.610 40.800 0.033 0.000 1.151 454 D HN 0.023 nan 8.370 nan 0.000 0.500 455 E N 3.002 123.222 120.200 0.034 0.000 2.435 455 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 455 E C 0.559 177.188 176.600 0.048 0.000 1.029 455 E CA 0.451 56.875 56.400 0.039 0.000 0.865 455 E CB -0.074 29.646 29.700 0.035 0.000 0.833 455 E HN 0.574 nan 8.360 nan 0.000 0.510 456 N N 0.169 118.891 118.700 0.038 0.000 2.270 456 N HA 0.079 4.819 4.740 -0.000 0.000 0.198 456 N C 0.519 176.048 175.510 0.031 0.000 1.117 456 N CA 0.103 53.173 53.050 0.033 0.000 0.845 456 N CB 0.921 39.416 38.487 0.013 0.000 0.980 456 N HN -0.012 nan 8.380 nan 0.000 0.486 457 G N 0.058 108.881 108.800 0.038 0.000 2.528 457 G HA2 0.362 4.322 3.960 -0.000 0.000 0.289 457 G HA3 0.362 4.322 3.960 -0.000 0.000 0.289 457 G C -0.843 174.088 174.900 0.052 0.000 1.192 457 G CA -0.289 44.830 45.100 0.033 0.000 0.921 457 G HN 0.120 nan 8.290 nan 0.000 0.512 458 E N -0.458 119.764 120.200 0.037 0.000 2.256 458 E HA 0.511 4.861 4.350 -0.000 0.000 0.268 458 E C -1.309 175.299 176.600 0.013 0.000 0.877 458 E CA -0.624 55.807 56.400 0.052 0.000 0.757 458 E CB 1.910 31.656 29.700 0.076 0.000 1.183 458 E HN 0.306 nan 8.360 nan 0.000 0.418 459 I N 3.276 123.854 120.570 0.013 0.000 2.447 459 I HA 0.437 4.607 4.170 -0.000 0.000 0.287 459 I C -0.134 175.962 176.117 -0.035 0.000 1.023 459 I CA -0.580 60.708 61.300 -0.020 0.000 1.083 459 I CB 1.739 39.740 38.000 0.002 0.000 1.245 459 I HN 0.593 nan 8.210 nan 0.000 0.434 460 A N 7.434 130.216 122.820 -0.064 0.000 2.304 460 A HA 0.838 5.157 4.320 -0.000 0.000 0.271 460 A C -0.713 176.835 177.584 -0.059 0.000 1.091 460 A CA -0.184 51.821 52.037 -0.053 0.000 0.812 460 A CB 0.647 19.606 19.000 -0.068 0.000 1.056 460 A HN 0.683 nan 8.150 nan 0.000 0.489 461 L N -0.038 121.173 121.223 -0.020 0.000 2.354 461 L HA 0.393 4.733 4.340 -0.000 0.000 0.264 461 L C -1.006 175.866 176.870 0.003 0.000 1.008 461 L CA -0.660 54.174 54.840 -0.011 0.000 0.819 461 L CB 2.287 44.384 42.059 0.064 0.000 1.339 461 L HN 0.715 nan 8.230 nan 0.000 0.420 462 c N 0.866 119.463 118.600 -0.005 0.000 2.200 462 c HA 0.429 4.999 4.570 -0.000 0.000 0.328 462 c C 0.420 174.523 174.090 0.022 0.000 1.148 462 c CA -0.670 55.661 56.329 0.003 0.000 1.624 462 c CB -0.539 41.965 42.510 -0.009 0.000 2.167 462 c HN 0.627 nan 8.230 nan 0.000 0.484 463 T N 5.515 120.083 114.554 0.024 0.000 2.853 463 T HA 0.500 4.849 4.350 -0.000 0.000 0.317 463 T C -0.015 174.687 174.700 0.004 0.000 1.059 463 T CA -0.037 62.077 62.100 0.023 0.000 0.954 463 T CB 0.135 69.021 68.868 0.030 0.000 0.994 463 T HN 0.431 nan 8.240 nan 0.000 0.479 464 L N 1.664 122.887 121.223 0.000 0.000 2.286 464 L HA 0.894 5.233 4.340 -0.000 0.000 0.265 464 L C 0.354 177.209 176.870 -0.025 0.000 1.012 464 L CA -0.861 53.971 54.840 -0.013 0.000 0.818 464 L CB 2.055 44.112 42.059 -0.004 0.000 1.337 464 L HN 0.530 nan 8.230 nan 0.000 0.438 465 S N -0.754 114.914 115.700 -0.053 0.000 2.656 465 S HA 0.843 5.313 4.470 -0.000 0.000 0.265 465 S C -1.917 172.594 174.600 -0.148 0.000 1.132 465 S CA -0.158 57.993 58.200 -0.081 0.000 0.819 465 S CB 1.943 65.081 63.200 -0.104 0.000 1.119 465 S HN 0.876 nan 8.310 nan 0.000 0.476 466 A N 0.787 123.491 122.820 -0.193 0.000 2.604 466 A HA 0.775 5.094 4.320 -0.000 0.000 0.295 466 A C -2.061 175.380 177.584 -0.239 0.000 1.067 466 A CA -0.562 51.340 52.037 -0.226 0.000 0.683 466 A CB 0.616 19.588 19.000 -0.046 0.000 1.281 466 A HN 0.464 nan 8.150 nan 0.000 0.407 467 F N 1.577 121.534 119.950 0.011 0.000 2.385 467 F HA 0.430 4.957 4.527 -0.000 0.000 0.336 467 F C 0.869 176.671 175.800 0.002 0.000 1.100 467 F CA -0.670 57.322 58.000 -0.014 0.000 1.116 467 F CB 1.253 40.218 39.000 -0.057 0.000 1.166 467 F HN 0.578 nan 8.300 nan 0.000 0.511 468 N N 3.758 122.590 118.700 0.220 0.000 2.469 468 N HA 0.159 4.899 4.740 -0.000 0.000 0.239 468 N C 0.565 176.151 175.510 0.128 0.000 1.053 468 N CA 0.029 53.179 53.050 0.167 0.000 0.937 468 N CB 0.478 39.067 38.487 0.171 0.000 1.163 468 N HN 0.691 nan 8.380 nan 0.000 0.509 469 L N 1.989 123.261 121.223 0.081 0.000 2.456 469 L HA 0.031 4.371 4.340 -0.000 0.000 0.224 469 L C 1.979 178.933 176.870 0.141 0.000 1.148 469 L CA 0.914 55.731 54.840 -0.038 0.000 0.825 469 L CB -0.053 41.809 42.059 -0.329 0.000 0.937 469 L HN 0.566 nan 8.230 nan 0.000 0.450 470 G N -0.915 108.031 108.800 0.244 0.000 2.777 470 G HA2 0.070 4.030 3.960 -0.000 0.000 0.211 470 G HA3 0.070 4.030 3.960 -0.000 0.000 0.211 470 G C 1.464 176.529 174.900 0.275 0.000 1.149 470 G CA 0.600 45.905 45.100 0.341 0.000 0.785 470 G HN 0.408 nan 8.290 nan 0.000 0.536 471 A N 0.198 123.133 122.820 0.192 0.000 2.267 471 A HA 0.535 4.855 4.320 -0.000 0.000 0.213 471 A C 0.978 178.607 177.584 0.075 0.000 1.192 471 A CA -0.153 51.967 52.037 0.138 0.000 0.851 471 A CB -0.208 18.870 19.000 0.131 0.000 0.881 471 A HN 0.529 nan 8.150 nan 0.000 0.494 472 I N -3.840 116.768 120.570 0.063 0.000 2.498 472 I HA 0.427 4.596 4.170 -0.000 0.000 0.301 472 I C 0.361 176.504 176.117 0.043 0.000 0.984 472 I CA -0.867 60.443 61.300 0.016 0.000 1.204 472 I CB 1.111 39.088 38.000 -0.038 0.000 1.362 472 I HN -0.070 nan 8.210 nan 0.000 0.471 473 N N 3.562 122.270 118.700 0.014 0.000 2.387 473 N HA -0.001 4.738 4.740 -0.000 0.000 0.176 473 N C -0.283 175.242 175.510 0.025 0.000 1.022 473 N CA 0.589 53.650 53.050 0.018 0.000 0.883 473 N CB -0.155 38.328 38.487 -0.007 0.000 1.019 473 N HN 0.874 nan 8.380 nan 0.000 0.435 474 N N -0.848 117.855 118.700 0.005 0.000 2.284 474 N HA 0.273 5.013 4.740 -0.000 0.000 0.289 474 N C 0.337 175.844 175.510 -0.005 0.000 1.179 474 N CA -0.644 52.413 53.050 0.011 0.000 0.774 474 N CB 1.573 40.058 38.487 -0.004 0.000 1.548 474 N HN -0.251 nan 8.380 nan 0.000 0.473 475 L N -0.354 120.880 121.223 0.018 0.000 2.261 475 L HA -0.121 4.219 4.340 -0.000 0.000 0.216 475 L C 0.665 177.560 176.870 0.042 0.000 1.114 475 L CA 1.024 55.873 54.840 0.015 0.000 0.777 475 L CB -0.427 41.667 42.059 0.058 0.000 0.910 475 L HN 0.698 nan 8.230 nan 0.000 0.440 476 D N 0.171 120.599 120.400 0.046 0.000 2.371 476 D HA -0.105 4.534 4.640 -0.000 0.000 0.221 476 D C 1.786 177.958 176.300 -0.212 0.000 0.986 476 D CA 0.635 54.630 54.000 -0.008 0.000 0.899 476 D CB 0.099 40.934 40.800 0.058 0.000 0.902 476 D HN 0.495 nan 8.370 nan 0.000 0.530 477 E N 0.056 120.142 120.200 -0.191 0.000 2.358 477 E HA 0.000 4.350 4.350 -0.000 0.000 0.195 477 E C 2.059 178.458 176.600 -0.335 0.000 1.010 477 E CA 0.040 56.306 56.400 -0.223 0.000 0.856 477 E CB 0.162 29.770 29.700 -0.152 0.000 0.795 477 E HN 0.305 nan 8.360 nan 0.000 0.504 478 L N 1.085 122.049 121.223 -0.432 0.000 2.131 478 L HA -0.198 4.141 4.340 -0.000 0.000 0.210 478 L C 2.616 179.093 176.870 -0.655 0.000 1.092 478 L CA 1.162 55.660 54.840 -0.570 0.000 0.759 478 L CB -0.421 41.342 42.059 -0.494 0.000 0.903 478 L HN 0.196 nan 8.230 nan 0.000 0.435 479 E N 0.666 120.203 120.200 -1.105 0.000 2.086 479 E HA -0.308 4.041 4.350 -0.000 0.000 0.205 479 E C 1.937 178.316 176.600 -0.368 0.000 1.027 479 E CA 2.138 57.972 56.400 -0.943 0.000 0.830 479 E CB 0.122 29.277 29.700 -0.909 0.000 0.751 479 E HN 0.431 nan 8.360 nan 0.000 0.456 480 E N 0.602 120.631 120.200 -0.285 0.000 2.031 480 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 480 E C 2.212 178.773 176.600 -0.066 0.000 0.994 480 E CA 1.270 57.584 56.400 -0.143 0.000 0.800 480 E CB -0.349 29.271 29.700 -0.133 0.000 0.752 480 E HN 0.313 nan 8.360 nan 0.000 0.447 481 L N 0.509 121.677 121.223 -0.092 0.000 2.021 481 L HA -0.292 4.048 4.340 -0.000 0.000 0.215 481 L C 2.460 179.471 176.870 0.235 0.000 1.074 481 L CA 1.431 56.307 54.840 0.061 0.000 0.760 481 L CB -0.792 41.265 42.059 -0.003 0.000 0.889 481 L HN 0.165 nan 8.230 nan 0.000 0.433 482 A N 0.330 123.231 122.820 0.135 0.000 1.883 482 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 482 A C 2.249 179.936 177.584 0.172 0.000 1.186 482 A CA 1.867 54.056 52.037 0.253 0.000 0.624 482 A CB -0.772 18.297 19.000 0.115 0.000 0.822 482 A HN 0.364 nan 8.150 nan 0.000 0.444 483 I N -0.459 120.172 120.570 0.102 0.000 2.118 483 I HA -0.278 3.892 4.170 -0.000 0.000 0.241 483 I C 2.270 178.512 176.117 0.207 0.000 1.070 483 I CA 1.101 62.478 61.300 0.127 0.000 1.327 483 I CB -0.295 37.765 38.000 0.100 0.000 1.034 483 I HN 0.245 nan 8.210 nan 0.000 0.405 484 L N 0.417 121.787 121.223 0.245 0.000 2.027 484 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 484 L C 2.826 179.928 176.870 0.387 0.000 1.074 484 L CA 2.165 57.237 54.840 0.387 0.000 0.745 484 L CB -2.069 40.245 42.059 0.425 0.000 0.898 484 L HN 0.225 nan 8.230 nan 0.000 0.433 485 A N -0.292 122.709 122.820 0.301 0.000 1.873 485 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 485 A C 2.488 180.136 177.584 0.106 0.000 1.193 485 A CA 2.310 54.466 52.037 0.198 0.000 0.629 485 A CB -1.003 18.044 19.000 0.077 0.000 0.826 485 A HN 0.215 nan 8.150 nan 0.000 0.447 486 V N -0.223 119.750 119.914 0.098 0.000 2.343 486 V HA -0.262 3.857 4.120 -0.000 0.000 0.247 486 V C 2.663 178.763 176.094 0.011 0.000 1.051 486 V CA 2.298 64.624 62.300 0.042 0.000 1.036 486 V CB -0.818 31.032 31.823 0.044 0.000 0.654 486 V HN 0.518 nan 8.190 nan 0.000 0.451 487 R N -0.125 120.403 120.500 0.046 0.000 2.096 487 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 487 R C 2.375 178.522 176.300 -0.255 0.000 1.127 487 R CA 1.442 57.537 56.100 -0.009 0.000 0.968 487 R CB -0.483 29.891 30.300 0.123 0.000 0.861 487 R HN 0.543 nan 8.270 nan 0.000 0.440 488 A N 0.771 123.408 122.820 -0.306 0.000 1.929 488 A HA -0.044 4.275 4.320 -0.000 0.000 0.216 488 A C 2.086 179.423 177.584 -0.411 0.000 1.176 488 A CA 0.854 52.484 52.037 -0.679 0.000 0.628 488 A CB -0.286 18.292 19.000 -0.703 0.000 0.816 488 A HN 0.153 nan 8.150 nan 0.000 0.444 489 L N -0.892 120.211 121.223 -0.200 0.000 2.109 489 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 489 L C 2.295 179.096 176.870 -0.116 0.000 1.086 489 L CA 1.639 56.399 54.840 -0.133 0.000 0.760 489 L CB -0.532 41.488 42.059 -0.065 0.000 0.910 489 L HN 0.394 nan 8.230 nan 0.000 0.437 490 D N 0.159 120.494 120.400 -0.110 0.000 2.117 490 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 490 D C 2.163 178.407 176.300 -0.094 0.000 0.987 490 D CA 1.304 55.257 54.000 -0.079 0.000 0.829 490 D CB 0.185 40.948 40.800 -0.061 0.000 0.961 490 D HN 0.258 nan 8.370 nan 0.000 0.460 491 A N -0.131 122.584 122.820 -0.176 0.000 1.969 491 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 491 A C 2.074 179.576 177.584 -0.136 0.000 1.169 491 A CA 0.997 52.926 52.037 -0.180 0.000 0.635 491 A CB -0.732 18.050 19.000 -0.363 0.000 0.810 491 A HN 0.380 nan 8.150 nan 0.000 0.445 492 L N 0.028 121.142 121.223 -0.181 0.000 2.046 492 L HA -0.127 4.212 4.340 -0.000 0.000 0.208 492 L C 2.196 179.098 176.870 0.053 0.000 1.077 492 L CA 1.704 56.483 54.840 -0.103 0.000 0.747 492 L CB -0.511 41.442 42.059 -0.176 0.000 0.896 492 L HN 0.407 nan 8.230 nan 0.000 0.432 493 L N -0.520 120.736 121.223 0.054 0.000 2.081 493 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 493 L C 1.851 178.843 176.870 0.204 0.000 1.080 493 L CA 1.374 56.306 54.840 0.154 0.000 0.754 493 L CB -0.888 41.238 42.059 0.112 0.000 0.893 493 L HN 0.308 nan 8.230 nan 0.000 0.433 494 D N -1.786 118.689 120.400 0.124 0.000 2.347 494 D HA -0.120 4.519 4.640 -0.000 0.000 0.213 494 D C 1.732 178.118 176.300 0.145 0.000 0.985 494 D CA 0.678 54.749 54.000 0.119 0.000 0.879 494 D CB 0.180 41.014 40.800 0.057 0.000 0.919 494 D HN 0.339 nan 8.370 nan 0.000 0.526 495 Y N 1.611 121.915 120.300 0.006 0.000 2.389 495 Y HA 0.029 4.579 4.550 -0.001 0.000 0.292 495 Y C 1.111 177.042 175.900 0.050 0.000 1.117 495 Y CA 0.268 58.365 58.100 -0.006 0.000 1.195 495 Y CB 0.219 38.643 38.460 -0.059 0.000 1.076 495 Y HN -0.096 nan 8.280 nan 0.000 0.548 496 Q N 0.640 120.528 119.800 0.148 0.000 2.317 496 Q HA 0.215 4.555 4.340 -0.000 0.000 0.229 496 Q C -1.007 174.843 176.000 -0.250 0.000 0.984 496 Q CA -0.685 55.138 55.803 0.033 0.000 0.911 496 Q CB 0.896 29.728 28.738 0.156 0.000 1.217 496 Q HN 0.093 nan 8.270 nan 0.000 0.501 497 D N 0.132 120.322 120.400 -0.350 0.000 2.229 497 D HA 0.279 4.919 4.640 -0.000 0.000 0.249 497 D C -1.289 174.685 176.300 -0.544 0.000 1.027 497 D CA -0.218 53.584 54.000 -0.331 0.000 0.923 497 D CB 0.852 41.515 40.800 -0.228 0.000 1.174 497 D HN 0.453 nan 8.370 nan 0.000 0.443 498 Y N 1.145 121.424 120.300 -0.035 0.000 2.376 498 Y HA 0.230 4.779 4.550 -0.001 0.000 0.326 498 Y C -1.245 174.626 175.900 -0.048 0.000 0.970 498 Y CA -1.471 56.625 58.100 -0.008 0.000 1.248 498 Y CB 1.535 40.005 38.460 0.016 0.000 1.117 498 Y HN 0.210 nan 8.280 nan 0.000 0.476 499 P HA -0.079 nan 4.420 nan 0.000 0.216 499 P C -0.075 177.209 177.300 -0.026 0.000 1.153 499 P CA 1.289 64.326 63.100 -0.105 0.000 0.848 499 P CB 0.726 32.242 31.700 -0.307 0.000 0.787 500 I N 0.026 120.622 120.570 0.044 0.000 2.412 500 I HA 0.221 4.391 4.170 -0.000 0.000 0.296 500 I C -1.524 174.658 176.117 0.109 0.000 0.987 500 I CA -2.569 58.782 61.300 0.085 0.000 1.180 500 I CB 1.789 39.871 38.000 0.137 0.000 1.340 500 I HN -0.233 nan 8.210 nan 0.000 0.455 501 P HA -0.241 nan 4.420 nan 0.000 0.216 501 P C 1.365 178.687 177.300 0.037 0.000 1.153 501 P CA 1.441 64.567 63.100 0.043 0.000 0.858 501 P CB 0.116 31.836 31.700 0.033 0.000 0.789 502 A N -0.357 122.499 122.820 0.060 0.000 2.024 502 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 502 A C 2.278 179.893 177.584 0.051 0.000 1.164 502 A CA 2.012 54.084 52.037 0.058 0.000 0.643 502 A CB -1.387 17.652 19.000 0.065 0.000 0.806 502 A HN 0.242 nan 8.150 nan 0.000 0.451 503 A N -0.619 122.257 122.820 0.093 0.000 1.975 503 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 503 A C 2.062 179.620 177.584 -0.043 0.000 1.170 503 A CA 1.517 53.625 52.037 0.118 0.000 0.656 503 A CB -0.290 18.907 19.000 0.327 0.000 0.821 503 A HN 0.493 nan 8.150 nan 0.000 0.449 504 K N -0.357 119.932 120.400 -0.186 0.000 2.097 504 K HA -0.086 4.233 4.320 -0.000 0.000 0.205 504 K C 2.280 178.624 176.600 -0.426 0.000 1.050 504 K CA 0.808 56.703 56.287 -0.653 0.000 0.938 504 K CB -0.136 32.092 32.500 -0.454 0.000 0.718 504 K HN 0.309 nan 8.250 nan 0.000 0.442 505 R N -0.337 120.037 120.500 -0.210 0.000 2.080 505 R HA -0.131 4.209 4.340 -0.000 0.000 0.236 505 R C 2.382 178.483 176.300 -0.331 0.000 1.137 505 R CA 1.809 57.807 56.100 -0.169 0.000 0.943 505 R CB -0.797 29.532 30.300 0.049 0.000 0.846 505 R HN 0.379 nan 8.270 nan 0.000 0.431 506 G N 0.434 109.125 108.800 -0.183 0.000 2.421 506 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 506 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 506 G C 1.590 176.338 174.900 -0.252 0.000 1.171 506 G CA 0.904 45.900 45.100 -0.174 0.000 0.775 506 G HN 0.440 nan 8.290 nan 0.000 0.543 507 A N 0.721 123.403 122.820 -0.229 0.000 1.865 507 A HA -0.050 4.269 4.320 -0.000 0.000 0.217 507 A C 2.463 179.891 177.584 -0.261 0.000 1.191 507 A CA 2.260 54.183 52.037 -0.190 0.000 0.623 507 A CB -0.353 18.530 19.000 -0.195 0.000 0.826 507 A HN 0.308 nan 8.150 nan 0.000 0.444 508 M N -0.721 118.648 119.600 -0.384 0.000 2.156 508 M HA -0.029 4.451 4.480 -0.000 0.000 0.264 508 M C 2.385 178.393 176.300 -0.486 0.000 1.067 508 M CA 1.367 56.453 55.300 -0.356 0.000 1.131 508 M CB -1.938 30.461 32.600 -0.336 0.000 1.368 508 M HN 0.468 nan 8.290 nan 0.000 0.416 509 G N 1.620 109.913 108.800 -0.845 0.000 2.514 509 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 509 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 509 G C 1.675 176.140 174.900 -0.725 0.000 1.198 509 G CA 0.883 45.050 45.100 -1.555 0.000 0.780 509 G HN 0.539 nan 8.290 nan 0.000 0.565 510 R N -0.719 119.564 120.500 -0.361 0.000 2.335 510 R HA 0.292 4.632 4.340 -0.000 0.000 0.210 510 R C 0.326 176.638 176.300 0.020 0.000 0.892 510 R CA -0.289 55.815 56.100 0.006 0.000 1.048 510 R CB 0.325 30.753 30.300 0.214 0.000 1.067 510 R HN 0.166 nan 8.270 nan 0.000 0.524 511 R N 2.417 122.883 120.500 -0.057 0.000 3.092 511 R HA -0.125 4.214 4.340 -0.000 0.000 0.245 511 R C -0.624 175.694 176.300 0.030 0.000 0.881 511 R CA 1.076 57.163 56.100 -0.020 0.000 0.614 511 R CB -1.961 28.320 30.300 -0.032 0.000 1.128 511 R HN 0.427 nan 8.270 nan 0.000 0.483 512 T N -1.135 113.452 114.554 0.055 0.000 2.856 512 T HA 0.655 5.005 4.350 -0.000 0.000 0.292 512 T C 0.649 175.381 174.700 0.052 0.000 0.980 512 T CA -0.867 61.282 62.100 0.083 0.000 1.091 512 T CB 1.813 70.757 68.868 0.128 0.000 0.936 512 T HN 0.247 nan 8.240 nan 0.000 0.503 513 L N 1.519 122.768 121.223 0.043 0.000 2.301 513 L HA 0.807 5.147 4.340 -0.000 0.000 0.264 513 L C 0.563 177.447 176.870 0.023 0.000 1.016 513 L CA -1.299 53.554 54.840 0.022 0.000 0.821 513 L CB 2.321 44.383 42.059 0.005 0.000 1.346 513 L HN 0.965 nan 8.230 nan 0.000 0.429 514 G N 1.917 110.719 108.800 0.004 0.000 3.712 514 G HA2 0.566 4.526 3.960 -0.000 0.000 0.327 514 G HA3 0.566 4.526 3.960 -0.000 0.000 0.327 514 G C -0.936 173.947 174.900 -0.027 0.000 1.566 514 G CA -0.112 44.987 45.100 -0.001 0.000 0.953 514 G HN 0.313 nan 8.290 nan 0.000 0.488 515 I N 1.917 122.465 120.570 -0.036 0.000 2.359 515 I HA 0.654 4.823 4.170 -0.000 0.000 0.294 515 I C 0.930 177.015 176.117 -0.055 0.000 0.987 515 I CA -0.319 60.916 61.300 -0.108 0.000 1.225 515 I CB 2.053 39.935 38.000 -0.196 0.000 1.366 515 I HN 0.430 nan 8.210 nan 0.000 0.466 516 G N 5.002 113.760 108.800 -0.070 0.000 3.243 516 G HA2 0.779 4.739 3.960 -0.000 0.000 0.248 516 G HA3 0.779 4.739 3.960 -0.000 0.000 0.248 516 G C -0.910 174.014 174.900 0.040 0.000 1.267 516 G CA -0.415 44.701 45.100 0.026 0.000 0.906 516 G HN 0.512 nan 8.290 nan 0.000 0.592 517 V N -1.701 118.268 119.914 0.091 0.000 3.102 517 V HA 0.879 4.998 4.120 -0.000 0.000 0.312 517 V C -0.400 175.767 176.094 0.122 0.000 1.135 517 V CA -1.059 61.307 62.300 0.110 0.000 1.022 517 V CB 1.415 33.292 31.823 0.089 0.000 1.056 517 V HN 1.187 nan 8.190 nan 0.000 0.436 518 I N -1.184 119.472 120.570 0.144 0.000 2.934 518 I HA 0.777 4.946 4.170 -0.000 0.000 0.306 518 I C 0.158 176.408 176.117 0.222 0.000 1.110 518 I CA -0.633 60.772 61.300 0.175 0.000 1.019 518 I CB 2.267 40.355 38.000 0.147 0.000 1.227 518 I HN 0.708 nan 8.210 nan 0.000 0.434 519 N N 1.317 120.180 118.700 0.271 0.000 2.869 519 N HA -0.241 4.499 4.740 -0.000 0.000 0.249 519 N C 0.095 175.843 175.510 0.396 0.000 1.104 519 N CA 1.026 54.283 53.050 0.344 0.000 0.760 519 N CB -1.142 37.555 38.487 0.350 0.000 1.108 519 N HN 0.865 nan 8.380 nan 0.000 0.555 520 F N 0.828 120.911 119.950 0.222 0.000 2.102 520 F HA 0.050 4.577 4.527 -0.001 0.000 0.298 520 F C 2.165 178.134 175.800 0.282 0.000 1.105 520 F CA 2.104 60.224 58.000 0.200 0.000 1.239 520 F CB -0.699 38.418 39.000 0.194 0.000 0.991 520 F HN 0.199 nan 8.300 nan 0.000 0.474 521 A N -0.282 122.721 122.820 0.304 0.000 1.883 521 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 521 A C 2.188 179.910 177.584 0.230 0.000 1.186 521 A CA 1.882 54.091 52.037 0.286 0.000 0.624 521 A CB -1.839 17.466 19.000 0.510 0.000 0.822 521 A HN 0.602 nan 8.150 nan 0.000 0.444 522 Y N -0.879 119.571 120.300 0.250 0.000 2.128 522 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 522 Y C 2.183 178.119 175.900 0.060 0.000 1.154 522 Y CA 1.731 59.931 58.100 0.167 0.000 1.149 522 Y CB -1.067 37.564 38.460 0.284 0.000 0.976 522 Y HN 0.461 nan 8.280 nan 0.000 0.505 523 Y N 0.254 120.410 120.300 -0.239 0.000 2.097 523 Y HA -0.296 4.254 4.550 -0.001 0.000 0.282 523 Y C 2.264 177.968 175.900 -0.325 0.000 1.152 523 Y CA 2.287 60.187 58.100 -0.334 0.000 1.136 523 Y CB -0.670 37.674 38.460 -0.193 0.000 0.975 523 Y HN 0.172 nan 8.280 nan 0.000 0.498 524 L N -0.213 120.802 121.223 -0.347 0.000 2.012 524 L HA -0.283 4.056 4.340 -0.000 0.000 0.210 524 L C 2.835 179.525 176.870 -0.301 0.000 1.073 524 L CA 1.360 55.943 54.840 -0.428 0.000 0.748 524 L CB -1.253 40.481 42.059 -0.541 0.000 0.891 524 L HN 0.403 nan 8.230 nan 0.000 0.431 525 A N 0.042 122.687 122.820 -0.292 0.000 1.908 525 A HA -0.232 4.087 4.320 -0.000 0.000 0.218 525 A C 2.317 179.728 177.584 -0.289 0.000 1.181 525 A CA 1.744 53.583 52.037 -0.330 0.000 0.627 525 A CB -0.403 18.215 19.000 -0.636 0.000 0.818 525 A HN 0.337 nan 8.150 nan 0.000 0.445 526 K N -1.147 119.061 120.400 -0.320 0.000 2.103 526 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 526 K C 1.343 177.736 176.600 -0.345 0.000 1.048 526 K CA 1.650 57.749 56.287 -0.314 0.000 0.930 526 K CB -0.309 31.957 32.500 -0.390 0.000 0.716 526 K HN 0.674 nan 8.250 nan 0.000 0.444 527 H N -0.669 118.160 119.070 -0.402 0.000 2.533 527 H HA 0.141 4.697 4.556 -0.000 0.000 0.271 527 H C 0.771 175.954 175.328 -0.242 0.000 1.000 527 H CA 0.471 56.317 56.048 -0.335 0.000 1.149 527 H CB 0.180 29.684 29.762 -0.430 0.000 1.375 527 H HN 0.418 nan 8.280 nan 0.000 0.582 528 G N 1.186 109.899 108.800 -0.146 0.000 2.273 528 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.280 528 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.280 528 G C -0.024 174.819 174.900 -0.094 0.000 1.047 528 G CA 0.153 45.180 45.100 -0.121 0.000 0.869 528 G HN 0.273 nan 8.290 nan 0.000 0.502 529 K N -0.558 119.776 120.400 -0.111 0.000 2.258 529 K HA 0.747 5.066 4.320 -0.000 0.000 0.236 529 K C 0.627 177.176 176.600 -0.086 0.000 1.008 529 K CA -0.755 55.473 56.287 -0.097 0.000 0.869 529 K CB 1.685 34.109 32.500 -0.127 0.000 1.171 529 K HN 0.394 nan 8.250 nan 0.000 0.447 530 R N -0.159 120.314 120.500 -0.045 0.000 2.888 530 R HA 0.344 4.684 4.340 -0.000 0.000 0.264 530 R C 0.656 176.984 176.300 0.047 0.000 1.045 530 R CA -0.798 55.326 56.100 0.040 0.000 0.962 530 R CB 0.307 30.659 30.300 0.087 0.000 1.210 530 R HN 0.474 nan 8.270 nan 0.000 0.479 531 Y N 0.622 120.948 120.300 0.044 0.000 2.201 531 Y HA -0.140 4.410 4.550 0.000 0.000 0.292 531 Y C 2.628 178.577 175.900 0.082 0.000 1.119 531 Y CA 2.009 60.162 58.100 0.089 0.000 1.127 531 Y CB -0.097 38.451 38.460 0.147 0.000 1.019 531 Y HN 0.629 nan 8.280 nan 0.000 0.514 532 S N -0.265 115.585 115.700 0.250 0.000 2.474 532 S HA -0.127 4.343 4.470 -0.000 0.000 0.235 532 S C 1.068 175.731 174.600 0.106 0.000 0.997 532 S CA 1.234 59.529 58.200 0.159 0.000 0.949 532 S CB -0.516 62.756 63.200 0.120 0.000 0.766 532 S HN 0.619 nan 8.310 nan 0.000 0.517 533 D N -0.085 120.365 120.400 0.084 0.000 2.379 533 D HA 0.299 4.938 4.640 -0.000 0.000 0.208 533 D C 1.361 177.684 176.300 0.039 0.000 1.065 533 D CA 0.518 54.552 54.000 0.056 0.000 0.848 533 D CB -0.578 40.249 40.800 0.045 0.000 0.949 533 D HN 0.490 nan 8.370 nan 0.000 0.509 534 G N 0.342 109.162 108.800 0.034 0.000 2.141 534 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.242 534 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.242 534 G C 1.152 176.056 174.900 0.006 0.000 0.982 534 G CA 0.752 45.859 45.100 0.012 0.000 0.662 534 G HN 0.606 nan 8.290 nan 0.000 0.527 535 S N -0.760 114.943 115.700 0.005 0.000 2.428 535 S HA 0.397 4.866 4.470 -0.000 0.000 0.230 535 S C 2.350 176.940 174.600 -0.016 0.000 1.014 535 S CA 1.282 59.478 58.200 -0.006 0.000 0.957 535 S CB 0.027 63.221 63.200 -0.010 0.000 0.784 535 S HN 1.631 nan 8.310 nan 0.000 0.499 536 A N 1.784 124.589 122.820 -0.024 0.000 2.178 536 A HA 0.211 4.530 4.320 -0.000 0.000 0.211 536 A C 1.791 179.394 177.584 0.032 0.000 1.157 536 A CA 0.478 52.499 52.037 -0.026 0.000 0.780 536 A CB -0.622 18.323 19.000 -0.092 0.000 0.828 536 A HN 0.464 nan 8.150 nan 0.000 0.476 537 N N 1.638 120.354 118.700 0.027 0.000 2.036 537 N HA -0.201 4.539 4.740 -0.000 0.000 0.199 537 N C 1.348 176.911 175.510 0.089 0.000 1.036 537 N CA 2.027 55.104 53.050 0.045 0.000 0.870 537 N CB -0.365 38.126 38.487 0.008 0.000 1.055 537 N HN 0.454 nan 8.380 nan 0.000 0.436 538 N N 0.040 118.778 118.700 0.062 0.000 2.244 538 N HA -0.066 4.674 4.740 -0.000 0.000 0.183 538 N C 1.638 177.227 175.510 0.132 0.000 1.016 538 N CA 0.291 53.390 53.050 0.081 0.000 0.866 538 N CB -0.366 38.142 38.487 0.034 0.000 0.980 538 N HN 0.200 nan 8.380 nan 0.000 0.430 539 L N 1.147 122.430 121.223 0.099 0.000 2.093 539 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 539 L C 1.791 178.772 176.870 0.184 0.000 1.085 539 L CA 1.652 56.550 54.840 0.097 0.000 0.755 539 L CB -1.075 40.992 42.059 0.013 0.000 0.904 539 L HN 0.045 nan 8.230 nan 0.000 0.435 540 T N -1.435 113.264 114.554 0.242 0.000 2.821 540 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 540 T C 1.840 176.752 174.700 0.353 0.000 1.046 540 T CA 1.407 63.728 62.100 0.369 0.000 1.139 540 T CB -0.513 68.568 68.868 0.355 0.000 0.871 540 T HN 0.501 nan 8.240 nan 0.000 0.454 541 H N 1.612 120.796 119.070 0.190 0.000 2.353 541 H HA 0.026 4.582 4.556 -0.001 0.000 0.300 541 H C 2.402 177.793 175.328 0.105 0.000 1.090 541 H CA 1.557 57.722 56.048 0.195 0.000 1.327 541 H CB -0.102 29.756 29.762 0.160 0.000 1.383 541 H HN 0.266 nan 8.280 nan 0.000 0.508 542 K N -0.117 120.453 120.400 0.282 0.000 2.057 542 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 542 K C 2.038 178.649 176.600 0.019 0.000 1.049 542 K CA 1.657 58.060 56.287 0.192 0.000 0.931 542 K CB 0.077 32.673 32.500 0.160 0.000 0.714 542 K HN 0.243 nan 8.250 nan 0.000 0.440 543 T N 0.557 115.102 114.554 -0.015 0.000 2.701 543 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 543 T C 1.544 175.994 174.700 -0.416 0.000 1.040 543 T CA 1.428 63.407 62.100 -0.202 0.000 1.147 543 T CB -0.305 68.405 68.868 -0.264 0.000 0.865 543 T HN 0.160 nan 8.240 nan 0.000 0.426 544 F N 1.365 121.158 119.950 -0.261 0.000 2.407 544 F HA 0.084 4.610 4.527 -0.000 0.000 0.299 544 F C 2.444 177.788 175.800 -0.759 0.000 1.097 544 F CA 0.499 58.273 58.000 -0.378 0.000 1.422 544 F CB -0.260 38.586 39.000 -0.257 0.000 1.067 544 F HN 0.213 nan 8.300 nan 0.000 0.539 545 E N 0.608 120.263 120.200 -0.907 0.000 2.031 545 E HA -0.240 4.109 4.350 -0.000 0.000 0.193 545 E C 2.449 178.891 176.600 -0.263 0.000 0.994 545 E CA 1.134 56.990 56.400 -0.906 0.000 0.800 545 E CB -0.187 29.271 29.700 -0.402 0.000 0.752 545 E HN 0.298 nan 8.360 nan 0.000 0.447 546 A N 1.311 124.002 122.820 -0.215 0.000 1.859 546 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 546 A C 2.212 179.659 177.584 -0.228 0.000 1.198 546 A CA 1.918 53.768 52.037 -0.311 0.000 0.629 546 A CB -0.960 17.990 19.000 -0.083 0.000 0.830 546 A HN 0.347 nan 8.150 nan 0.000 0.446 547 I N -0.972 119.489 120.570 -0.182 0.000 2.068 547 I HA -0.365 3.804 4.170 -0.000 0.000 0.238 547 I C 2.826 178.962 176.117 0.031 0.000 1.046 547 I CA 2.244 63.487 61.300 -0.095 0.000 1.306 547 I CB -0.354 37.579 38.000 -0.112 0.000 1.023 547 I HN 0.440 nan 8.210 nan 0.000 0.399 548 Q N -0.198 119.656 119.800 0.089 0.000 2.084 548 Q HA -0.266 4.073 4.340 -0.000 0.000 0.202 548 Q C 2.058 178.131 176.000 0.121 0.000 0.978 548 Q CA 1.839 57.771 55.803 0.216 0.000 0.844 548 Q CB -0.574 28.423 28.738 0.431 0.000 0.898 548 Q HN 0.572 nan 8.270 nan 0.000 0.426 549 Y N -0.485 119.713 120.300 -0.170 0.000 2.053 549 Y HA -0.333 4.217 4.550 -0.001 0.000 0.277 549 Y C 1.671 177.255 175.900 -0.527 0.000 1.159 549 Y CA 2.230 59.929 58.100 -0.668 0.000 1.125 549 Y CB -0.679 37.110 38.460 -1.119 0.000 0.969 549 Y HN 0.206 nan 8.280 nan 0.000 0.492 550 Y N -0.010 120.089 120.300 -0.335 0.000 2.274 550 Y HA -0.221 4.328 4.550 -0.001 0.000 0.290 550 Y C 2.354 178.115 175.900 -0.231 0.000 1.145 550 Y CA 1.435 59.338 58.100 -0.328 0.000 1.203 550 Y CB -0.883 37.444 38.460 -0.221 0.000 0.984 550 Y HN 0.188 nan 8.280 nan 0.000 0.533 551 L N -1.115 120.118 121.223 0.016 0.000 2.005 551 L HA -0.233 4.106 4.340 -0.000 0.000 0.207 551 L C 2.362 179.189 176.870 -0.070 0.000 1.072 551 L CA 1.149 56.013 54.840 0.040 0.000 0.744 551 L CB -0.801 41.326 42.059 0.114 0.000 0.895 551 L HN 0.177 nan 8.230 nan 0.000 0.433 552 L N -0.239 120.900 121.223 -0.140 0.000 2.013 552 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 552 L C 2.733 179.439 176.870 -0.274 0.000 1.073 552 L CA 1.512 56.223 54.840 -0.215 0.000 0.753 552 L CB -0.459 41.477 42.059 -0.206 0.000 0.890 552 L HN 0.264 nan 8.230 nan 0.000 0.432 553 K N -0.104 120.057 120.400 -0.399 0.000 2.020 553 K HA -0.241 4.079 4.320 -0.000 0.000 0.212 553 K C 2.120 178.611 176.600 -0.183 0.000 1.050 553 K CA 1.652 57.725 56.287 -0.357 0.000 0.929 553 K CB -0.194 32.035 32.500 -0.452 0.000 0.714 553 K HN 0.303 nan 8.250 nan 0.000 0.443 554 A N 0.164 122.916 122.820 -0.114 0.000 1.908 554 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 554 A C 2.216 179.764 177.584 -0.060 0.000 1.181 554 A CA 2.235 54.243 52.037 -0.049 0.000 0.627 554 A CB -0.932 18.073 19.000 0.008 0.000 0.818 554 A HN 0.407 nan 8.150 nan 0.000 0.445 555 S N -0.512 115.137 115.700 -0.085 0.000 2.368 555 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 555 S C 2.075 176.598 174.600 -0.129 0.000 1.030 555 S CA 1.415 59.555 58.200 -0.100 0.000 0.999 555 S CB -0.577 62.549 63.200 -0.123 0.000 0.844 555 S HN 0.762 nan 8.310 nan 0.000 0.459 556 N N 0.080 118.690 118.700 -0.150 0.000 2.120 556 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 556 N C 1.549 176.975 175.510 -0.141 0.000 1.024 556 N CA 1.140 54.098 53.050 -0.152 0.000 0.852 556 N CB -0.073 38.324 38.487 -0.149 0.000 1.003 556 N HN 0.344 nan 8.380 nan 0.000 0.424 557 E N 1.131 121.258 120.200 -0.122 0.000 2.058 557 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 557 E C 2.076 178.625 176.600 -0.084 0.000 0.997 557 E CA 0.542 56.880 56.400 -0.104 0.000 0.801 557 E CB -0.503 29.159 29.700 -0.064 0.000 0.746 557 E HN 0.344 nan 8.360 nan 0.000 0.450 558 L N 0.892 122.076 121.223 -0.065 0.000 2.083 558 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 558 L C 2.247 179.067 176.870 -0.083 0.000 1.083 558 L CA 1.867 56.674 54.840 -0.056 0.000 0.752 558 L CB -0.614 41.421 42.059 -0.040 0.000 0.899 558 L HN 0.064 nan 8.230 nan 0.000 0.433 559 A N -0.669 122.086 122.820 -0.109 0.000 1.883 559 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 559 A C 2.323 179.852 177.584 -0.093 0.000 1.186 559 A CA 2.058 54.020 52.037 -0.124 0.000 0.624 559 A CB -0.518 18.375 19.000 -0.178 0.000 0.822 559 A HN 0.468 nan 8.150 nan 0.000 0.444 560 K N -0.704 119.634 120.400 -0.104 0.000 2.009 560 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 560 K C 2.200 178.757 176.600 -0.073 0.000 1.049 560 K CA 1.747 57.973 56.287 -0.101 0.000 0.929 560 K CB -0.249 32.126 32.500 -0.210 0.000 0.714 560 K HN 0.749 nan 8.250 nan 0.000 0.440 561 E N 0.990 121.144 120.200 -0.077 0.000 2.031 561 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 561 E C 1.499 178.054 176.600 -0.075 0.000 0.994 561 E CA 1.482 57.841 56.400 -0.068 0.000 0.800 561 E CB 0.204 29.866 29.700 -0.062 0.000 0.752 561 E HN 0.311 nan 8.360 nan 0.000 0.447 562 Q N -0.921 118.831 119.800 -0.080 0.000 2.189 562 Q HA 0.269 4.609 4.340 -0.000 0.000 0.223 562 Q C -0.390 175.568 176.000 -0.069 0.000 0.828 562 Q CA 0.188 55.941 55.803 -0.083 0.000 0.967 562 Q CB 2.059 30.737 28.738 -0.099 0.000 1.139 562 Q HN 0.323 nan 8.270 nan 0.000 0.497 563 G N 1.346 110.106 108.800 -0.068 0.000 2.907 563 G HA2 0.035 3.995 3.960 -0.000 0.000 0.686 563 G HA3 0.035 3.995 3.960 -0.000 0.000 0.686 563 G C -0.391 174.456 174.900 -0.089 0.000 1.115 563 G CA -0.573 44.488 45.100 -0.064 0.000 0.760 563 G HN 0.310 nan 8.290 nan 0.000 0.620 564 A N 1.557 124.304 122.820 -0.122 0.000 2.448 564 A HA 0.572 4.892 4.320 -0.000 0.000 0.239 564 A C 1.715 179.257 177.584 -0.071 0.000 1.080 564 A CA 0.611 52.536 52.037 -0.187 0.000 0.779 564 A CB -0.291 18.494 19.000 -0.358 0.000 1.026 564 A HN 2.562 nan 8.150 nan 0.000 0.499 565 C N 0.832 120.116 119.300 -0.026 0.000 2.657 565 C HA 0.348 4.808 4.460 -0.000 0.000 0.420 565 C C -0.941 174.114 174.990 0.108 0.000 1.323 565 C CA -0.929 58.106 59.018 0.030 0.000 1.894 565 C CB -0.408 27.373 27.740 0.069 0.000 2.681 565 C HN 0.703 nan 8.230 nan 0.000 0.613 566 P HA -0.137 nan 4.420 nan 0.000 0.215 566 P C 0.628 178.143 177.300 0.360 0.000 1.163 566 P CA 1.901 65.076 63.100 0.125 0.000 0.894 566 P CB -0.139 31.553 31.700 -0.013 0.000 0.791 567 W N -1.352 120.018 121.300 0.116 0.000 3.221 567 W HA 0.296 4.956 4.660 -0.001 0.000 0.436 567 W C 1.251 177.872 176.519 0.170 0.000 0.913 567 W CA -1.326 56.091 57.345 0.120 0.000 2.004 567 W CB -1.886 27.628 29.460 0.090 0.000 1.007 567 W HN -0.057 nan 8.180 nan 0.000 0.838 568 F N 2.441 122.535 119.950 0.240 0.000 2.293 568 F HA -0.200 4.326 4.527 -0.000 0.000 0.300 568 F C 1.825 177.719 175.800 0.156 0.000 1.086 568 F CA 1.857 59.957 58.000 0.166 0.000 1.375 568 F CB -0.394 38.666 39.000 0.101 0.000 1.045 568 F HN 0.097 nan 8.300 nan 0.000 0.516 569 N N -0.118 118.626 118.700 0.073 0.000 2.573 569 N HA -0.167 4.573 4.740 -0.000 0.000 0.187 569 N C 0.974 176.450 175.510 -0.056 0.000 1.107 569 N CA 1.282 54.316 53.050 -0.027 0.000 0.918 569 N CB -0.638 37.891 38.487 0.070 0.000 0.966 569 N HN 0.504 nan 8.380 nan 0.000 0.448 570 E N -0.065 120.135 120.200 -0.000 0.000 2.472 570 E HA -0.017 4.333 4.350 -0.000 0.000 0.196 570 E C 0.233 176.862 176.600 0.047 0.000 1.033 570 E CA 0.336 56.758 56.400 0.038 0.000 0.886 570 E CB 0.093 29.849 29.700 0.093 0.000 0.944 570 E HN 0.516 nan 8.360 nan 0.000 0.492 571 T N -0.154 114.343 114.554 -0.094 0.000 2.882 571 T HA 0.083 4.432 4.350 -0.000 0.000 0.287 571 T C 1.513 176.089 174.700 -0.206 0.000 1.014 571 T CA -0.004 61.988 62.100 -0.180 0.000 1.049 571 T CB 1.499 70.196 68.868 -0.284 0.000 1.001 571 T HN 0.028 nan 8.240 nan 0.000 0.525 572 T N -1.431 112.995 114.554 -0.213 0.000 2.985 572 T HA -0.079 4.270 4.350 -0.000 0.000 0.266 572 T C 1.481 176.067 174.700 -0.189 0.000 1.076 572 T CA 0.511 62.491 62.100 -0.200 0.000 1.135 572 T CB -0.799 67.928 68.868 -0.234 0.000 0.890 572 T HN 0.603 nan 8.240 nan 0.000 0.480 573 Y N 2.337 122.537 120.300 -0.166 0.000 2.165 573 Y HA 0.075 4.624 4.550 -0.001 0.000 0.286 573 Y C 3.034 178.892 175.900 -0.070 0.000 1.155 573 Y CA 0.658 58.719 58.100 -0.065 0.000 1.164 573 Y CB -1.046 37.420 38.460 0.010 0.000 0.978 573 Y HN 0.345 nan 8.280 nan 0.000 0.513 574 A N -0.053 122.611 122.820 -0.259 0.000 2.019 574 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 574 A C 1.881 179.458 177.584 -0.011 0.000 1.164 574 A CA 1.487 53.374 52.037 -0.250 0.000 0.644 574 A CB -0.455 18.169 19.000 -0.626 0.000 0.805 574 A HN 0.411 nan 8.150 nan 0.000 0.449 575 K N -0.994 119.386 120.400 -0.033 0.000 2.469 575 K HA 0.266 4.585 4.320 -0.000 0.000 0.201 575 K C 0.804 177.423 176.600 0.032 0.000 1.028 575 K CA 0.388 56.675 56.287 -0.001 0.000 1.170 575 K CB -0.095 32.388 32.500 -0.028 0.000 0.874 575 K HN 0.598 nan 8.250 nan 0.000 0.507 576 G N 2.102 110.949 108.800 0.077 0.000 2.176 576 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.252 576 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.252 576 G C 0.010 174.958 174.900 0.080 0.000 1.024 576 G CA -0.094 45.069 45.100 0.105 0.000 0.755 576 G HN 0.319 nan 8.290 nan 0.000 0.507 577 I N 0.530 121.116 120.570 0.026 0.000 2.336 577 I HA 0.525 4.694 4.170 -0.000 0.000 0.292 577 I C 0.733 176.799 176.117 -0.086 0.000 0.991 577 I CA -0.857 60.424 61.300 -0.032 0.000 1.227 577 I CB 1.203 39.151 38.000 -0.088 0.000 1.366 577 I HN -0.020 nan 8.210 nan 0.000 0.466 578 L N 7.149 128.367 121.223 -0.008 0.000 2.304 578 L HA 0.489 4.829 4.340 -0.000 0.000 0.268 578 L C -1.621 175.223 176.870 -0.044 0.000 1.010 578 L CA -1.653 53.204 54.840 0.029 0.000 0.813 578 L CB 0.863 43.069 42.059 0.246 0.000 1.315 578 L HN 0.285 nan 8.230 nan 0.000 0.445 579 P HA -0.181 nan 4.420 nan 0.000 0.216 579 P C 1.585 178.869 177.300 -0.027 0.000 1.150 579 P CA 1.417 64.520 63.100 0.007 0.000 0.843 579 P CB -0.066 31.658 31.700 0.040 0.000 0.787 580 I N -3.264 117.182 120.570 -0.206 0.000 2.916 580 I HA -0.114 4.055 4.170 -0.000 0.000 0.267 580 I C 0.698 176.845 176.117 0.051 0.000 1.263 580 I CA 1.775 62.949 61.300 -0.209 0.000 1.471 580 I CB -0.698 37.036 38.000 -0.442 0.000 1.089 580 I HN -0.143 nan 8.210 nan 0.000 0.468 581 D N 1.562 121.965 120.400 0.004 0.000 2.327 581 D HA -0.013 4.627 4.640 -0.000 0.000 0.205 581 D C 1.821 178.060 176.300 -0.102 0.000 0.989 581 D CA 1.573 55.552 54.000 -0.034 0.000 0.873 581 D CB 0.399 41.183 40.800 -0.027 0.000 0.955 581 D HN 0.563 nan 8.370 nan 0.000 0.515 582 T N -1.868 112.655 114.554 -0.052 0.000 3.084 582 T HA 0.101 4.451 4.350 -0.000 0.000 0.270 582 T C 0.749 175.296 174.700 -0.256 0.000 1.008 582 T CA -0.704 61.340 62.100 -0.093 0.000 0.900 582 T CB -0.637 68.268 68.868 0.061 0.000 1.084 582 T HN 0.096 nan 8.240 nan 0.000 0.538 583 Y N 1.328 121.358 120.300 -0.451 0.000 2.385 583 Y HA 0.600 5.150 4.550 -0.001 0.000 0.346 583 Y C 0.455 176.047 175.900 -0.513 0.000 1.270 583 Y CA -1.836 55.756 58.100 -0.847 0.000 1.472 583 Y CB 0.481 38.523 38.460 -0.695 0.000 1.354 583 Y HN -0.128 nan 8.280 nan 0.000 0.611 584 K N 3.134 123.287 120.400 -0.411 0.000 2.363 584 K HA 0.032 4.352 4.320 -0.000 0.000 0.289 584 K C 0.988 177.456 176.600 -0.221 0.000 1.063 584 K CA -0.235 55.846 56.287 -0.344 0.000 0.967 584 K CB 0.530 32.802 32.500 -0.380 0.000 0.987 584 K HN 0.773 nan 8.250 nan 0.000 0.473 585 K N 2.863 123.066 120.400 -0.328 0.000 2.228 585 K HA -0.232 4.087 4.320 -0.000 0.000 0.205 585 K C 0.005 176.569 176.600 -0.060 0.000 1.045 585 K CA 1.999 58.145 56.287 -0.235 0.000 0.931 585 K CB -0.195 32.168 32.500 -0.229 0.000 0.727 585 K HN 0.633 nan 8.250 nan 0.000 0.458 586 D N 1.460 121.819 120.400 -0.069 0.000 2.264 586 D HA -0.042 4.598 4.640 -0.000 0.000 0.208 586 D C 1.945 178.312 176.300 0.113 0.000 0.966 586 D CA 0.671 54.648 54.000 -0.039 0.000 0.864 586 D CB -0.174 40.506 40.800 -0.200 0.000 0.933 586 D HN 0.167 nan 8.370 nan 0.000 0.499 587 L N 0.690 122.025 121.223 0.187 0.000 2.189 587 L HA -0.193 4.147 4.340 -0.000 0.000 0.214 587 L C 1.577 178.539 176.870 0.154 0.000 1.097 587 L CA 0.939 55.916 54.840 0.229 0.000 0.764 587 L CB -0.354 41.797 42.059 0.152 0.000 0.900 587 L HN 0.026 nan 8.230 nan 0.000 0.436 588 D N -0.513 119.976 120.400 0.149 0.000 2.221 588 D HA -0.172 4.467 4.640 -0.000 0.000 0.204 588 D C 2.230 178.565 176.300 0.057 0.000 0.982 588 D CA 1.895 55.947 54.000 0.087 0.000 0.857 588 D CB -0.125 40.724 40.800 0.082 0.000 0.934 588 D HN 0.420 nan 8.370 nan 0.000 0.475 589 T N -1.297 113.307 114.554 0.084 0.000 3.085 589 T HA -0.032 4.318 4.350 -0.000 0.000 0.263 589 T C 1.801 176.556 174.700 0.092 0.000 1.127 589 T CA 0.267 62.415 62.100 0.079 0.000 1.103 589 T CB -0.380 68.540 68.868 0.086 0.000 0.921 589 T HN 0.392 nan 8.240 nan 0.000 0.510 590 I N -1.778 118.853 120.570 0.103 0.000 4.025 590 I HA 0.771 4.941 4.170 -0.000 0.000 0.336 590 I C 0.261 176.379 176.117 0.003 0.000 1.390 590 I CA -1.084 60.246 61.300 0.051 0.000 1.099 590 I CB 0.235 38.237 38.000 0.002 0.000 1.049 590 I HN 0.245 nan 8.210 nan 0.000 0.394 591 A N 2.451 125.265 122.820 -0.011 0.000 2.547 591 A HA 0.417 4.737 4.320 -0.000 0.000 0.298 591 A C -0.228 177.283 177.584 -0.122 0.000 1.062 591 A CA -0.696 51.304 52.037 -0.061 0.000 0.748 591 A CB 0.645 19.612 19.000 -0.055 0.000 1.288 591 A HN 0.333 nan 8.150 nan 0.000 0.396 592 N N 1.231 119.856 118.700 -0.126 0.000 2.184 592 N HA 0.053 4.793 4.740 -0.000 0.000 0.206 592 N C 0.043 175.440 175.510 -0.188 0.000 1.151 592 N CA -0.215 52.754 53.050 -0.135 0.000 0.878 592 N CB 0.680 39.124 38.487 -0.072 0.000 1.014 592 N HN 0.656 nan 8.380 nan 0.000 0.512 593 E N 3.671 123.722 120.200 -0.248 0.000 2.558 593 E HA 0.082 4.432 4.350 -0.000 0.000 0.255 593 E C -2.144 174.291 176.600 -0.276 0.000 0.968 593 E CA -1.062 55.220 56.400 -0.196 0.000 0.939 593 E CB 0.628 30.278 29.700 -0.082 0.000 0.921 593 E HN 0.255 nan 8.360 nan 0.000 0.477 594 P HA 0.125 nan 4.420 nan 0.000 0.278 594 P C -0.641 176.505 177.300 -0.256 0.000 1.258 594 P CA -0.340 62.630 63.100 -0.216 0.000 0.811 594 P CB 0.602 32.155 31.700 -0.244 0.000 1.063 595 L N 2.569 123.723 121.223 -0.115 0.000 2.360 595 L HA 0.149 4.489 4.340 -0.000 0.000 0.276 595 L C 1.743 178.531 176.870 -0.137 0.000 1.121 595 L CA -0.268 54.585 54.840 0.021 0.000 0.845 595 L CB -0.044 42.088 42.059 0.123 0.000 1.143 595 L HN 0.455 nan 8.230 nan 0.000 0.452 596 H N 2.594 121.700 119.070 0.060 0.000 2.553 596 H HA 0.124 4.679 4.556 -0.001 0.000 0.265 596 H C -0.476 174.552 175.328 -0.500 0.000 0.964 596 H CA 0.300 56.214 56.048 -0.224 0.000 1.156 596 H CB 0.303 29.857 29.762 -0.348 0.000 1.411 596 H HN 0.425 nan 8.280 nan 0.000 0.558 597 Y N 0.408 120.704 120.300 -0.007 0.000 2.528 597 Y HA 0.161 4.711 4.550 -0.000 0.000 0.335 597 Y C 0.513 176.303 175.900 -0.183 0.000 1.093 597 Y CA -1.192 56.671 58.100 -0.396 0.000 1.134 597 Y CB 1.178 38.898 38.460 -1.235 0.000 1.253 597 Y HN -0.130 nan 8.280 nan 0.000 0.478 598 D N 1.339 121.678 120.400 -0.101 0.000 2.470 598 D HA 0.022 4.661 4.640 -0.000 0.000 0.226 598 D C -0.142 176.243 176.300 0.140 0.000 1.196 598 D CA 0.139 54.184 54.000 0.074 0.000 0.979 598 D CB 0.020 40.868 40.800 0.080 0.000 1.059 598 D HN 0.532 nan 8.370 nan 0.000 0.515 599 W N 1.643 123.050 121.300 0.178 0.000 2.518 599 W HA -0.012 4.648 4.660 -0.001 0.000 0.273 599 W C 2.055 178.677 176.519 0.172 0.000 1.247 599 W CA -0.084 57.395 57.345 0.223 0.000 1.288 599 W CB 0.341 29.921 29.460 0.200 0.000 1.107 599 W HN 0.326 nan 8.180 nan 0.000 0.586 600 E N 0.145 120.538 120.200 0.322 0.000 2.106 600 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 600 E C 2.248 178.947 176.600 0.166 0.000 0.984 600 E CA 1.427 57.957 56.400 0.215 0.000 0.806 600 E CB -0.939 28.858 29.700 0.162 0.000 0.750 600 E HN 0.245 nan 8.360 nan 0.000 0.458 601 A N 1.073 123.981 122.820 0.147 0.000 1.969 601 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 601 A C 2.237 179.882 177.584 0.103 0.000 1.169 601 A CA 0.997 53.101 52.037 0.112 0.000 0.635 601 A CB -0.445 18.614 19.000 0.098 0.000 0.810 601 A HN 0.221 nan 8.150 nan 0.000 0.445 602 L N -0.513 120.775 121.223 0.108 0.000 2.095 602 L HA -0.008 4.332 4.340 -0.000 0.000 0.204 602 L C 2.426 179.365 176.870 0.115 0.000 1.080 602 L CA 1.838 56.709 54.840 0.052 0.000 0.759 602 L CB -0.463 41.566 42.059 -0.051 0.000 0.914 602 L HN 0.430 nan 8.230 nan 0.000 0.439 603 R N -0.436 120.175 120.500 0.186 0.000 2.094 603 R HA -0.210 4.129 4.340 -0.000 0.000 0.239 603 R C 2.109 178.504 176.300 0.159 0.000 1.137 603 R CA 1.902 58.125 56.100 0.205 0.000 0.943 603 R CB -0.233 30.194 30.300 0.212 0.000 0.850 603 R HN 0.396 nan 8.270 nan 0.000 0.433 604 E N 0.251 120.529 120.200 0.131 0.000 2.021 604 E HA -0.198 4.151 4.350 -0.000 0.000 0.200 604 E C 1.937 178.605 176.600 0.112 0.000 1.015 604 E CA 1.493 57.956 56.400 0.107 0.000 0.824 604 E CB -0.783 28.972 29.700 0.092 0.000 0.762 604 E HN 0.236 nan 8.360 nan 0.000 0.454 605 S N 0.284 116.060 115.700 0.126 0.000 2.372 605 S HA -0.200 4.270 4.470 -0.000 0.000 0.227 605 S C 2.144 176.849 174.600 0.175 0.000 1.044 605 S CA 1.484 59.793 58.200 0.183 0.000 1.050 605 S CB -0.361 62.903 63.200 0.107 0.000 0.901 605 S HN 0.196 nan 8.310 nan 0.000 0.447 606 I N 0.992 121.634 120.570 0.120 0.000 2.127 606 I HA -0.217 3.952 4.170 -0.000 0.000 0.241 606 I C 2.647 178.867 176.117 0.173 0.000 1.075 606 I CA 1.538 62.913 61.300 0.124 0.000 1.334 606 I CB -0.395 37.712 38.000 0.179 0.000 1.040 606 I HN 0.265 nan 8.210 nan 0.000 0.405 607 K N 0.272 120.781 120.400 0.181 0.000 2.034 607 K HA -0.230 4.090 4.320 -0.000 0.000 0.214 607 K C 2.147 178.800 176.600 0.088 0.000 1.051 607 K CA 2.427 58.814 56.287 0.166 0.000 0.931 607 K CB -0.212 32.359 32.500 0.119 0.000 0.715 607 K HN 0.339 nan 8.250 nan 0.000 0.446 608 T N -0.477 114.072 114.554 -0.008 0.000 2.643 608 T HA -0.124 4.225 4.350 -0.000 0.000 0.264 608 T C 1.343 175.850 174.700 -0.322 0.000 1.045 608 T CA 1.752 63.730 62.100 -0.205 0.000 1.155 608 T CB -0.301 68.353 68.868 -0.357 0.000 0.863 608 T HN 0.423 nan 8.240 nan 0.000 0.420 609 H N 0.027 119.075 119.070 -0.036 0.000 2.575 609 H HA 0.489 5.044 4.556 -0.000 0.000 0.267 609 H C 1.366 176.560 175.328 -0.225 0.000 0.966 609 H CA 0.115 56.105 56.048 -0.097 0.000 1.165 609 H CB -0.133 29.574 29.762 -0.091 0.000 1.433 609 H HN 0.563 nan 8.280 nan 0.000 0.544 610 G N 0.505 109.180 108.800 -0.207 0.000 2.752 610 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.234 610 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.234 610 G C -0.727 173.731 174.900 -0.736 0.000 1.367 610 G CA -0.375 44.218 45.100 -0.845 0.000 0.879 610 G HN 0.224 nan 8.290 nan 0.000 0.563 611 L N -0.566 119.958 121.223 -1.165 0.000 2.342 611 L HA 0.639 4.979 4.340 -0.000 0.000 0.271 611 L C 1.485 178.155 176.870 -0.334 0.000 1.008 611 L CA -0.870 53.688 54.840 -0.469 0.000 0.818 611 L CB 1.960 43.900 42.059 -0.198 0.000 1.296 611 L HN 0.748 nan 8.230 nan 0.000 0.427 612 R N 1.559 121.946 120.500 -0.189 0.000 2.090 612 R HA 0.018 4.358 4.340 -0.000 0.000 0.228 612 R C -0.169 176.097 176.300 -0.056 0.000 1.110 612 R CA 1.237 57.267 56.100 -0.117 0.000 0.973 612 R CB 0.026 30.272 30.300 -0.090 0.000 0.869 612 R HN 0.697 nan 8.270 nan 0.000 0.440 613 N N -0.988 117.686 118.700 -0.043 0.000 2.321 613 N HA 0.208 4.948 4.740 -0.000 0.000 0.299 613 N C -0.351 175.182 175.510 0.038 0.000 1.048 613 N CA -0.336 52.717 53.050 0.004 0.000 0.836 613 N CB 2.251 40.730 38.487 -0.013 0.000 1.269 613 N HN -0.111 nan 8.380 nan 0.000 0.486 614 S N -0.376 115.385 115.700 0.101 0.000 2.414 614 S HA -0.042 4.428 4.470 -0.000 0.000 0.227 614 S C 0.868 175.464 174.600 -0.007 0.000 1.022 614 S CA 0.744 58.998 58.200 0.091 0.000 0.958 614 S CB -0.151 63.151 63.200 0.169 0.000 0.797 614 S HN 0.825 nan 8.310 nan 0.000 0.493 615 T N -1.246 113.332 114.554 0.040 0.000 2.893 615 T HA 0.751 5.101 4.350 -0.000 0.000 0.291 615 T C 0.218 174.944 174.700 0.043 0.000 1.028 615 T CA -0.787 61.341 62.100 0.046 0.000 0.995 615 T CB 1.802 70.729 68.868 0.098 0.000 1.051 615 T HN -0.022 nan 8.240 nan 0.000 0.470 616 L N 1.375 122.627 121.223 0.049 0.000 2.758 616 L HA 0.339 4.679 4.340 -0.000 0.000 0.234 616 L C 0.988 177.889 176.870 0.052 0.000 1.049 616 L CA -0.081 54.783 54.840 0.040 0.000 0.908 616 L CB 0.433 42.511 42.059 0.031 0.000 1.362 616 L HN 0.873 nan 8.230 nan 0.000 0.499 617 S N -0.083 115.663 115.700 0.076 0.000 2.578 617 S HA 0.895 5.364 4.470 -0.000 0.000 0.301 617 S C -0.451 174.181 174.600 0.053 0.000 1.091 617 S CA -0.317 57.931 58.200 0.080 0.000 1.032 617 S CB 2.477 65.759 63.200 0.137 0.000 1.064 617 S HN 0.157 nan 8.310 nan 0.000 0.508 618 A N 1.740 124.582 122.820 0.036 0.000 2.565 618 A HA 0.577 4.896 4.320 -0.000 0.000 0.298 618 A C -1.355 176.230 177.584 0.002 0.000 1.062 618 A CA -0.828 51.214 52.037 0.009 0.000 0.723 618 A CB 0.755 19.753 19.000 -0.003 0.000 1.282 618 A HN 0.844 nan 8.150 nan 0.000 0.400 619 L N 4.329 125.541 121.223 -0.019 0.000 2.321 619 L HA 0.426 4.766 4.340 -0.000 0.000 0.272 619 L C 0.423 177.274 176.870 -0.031 0.000 1.050 619 L CA -0.540 54.291 54.840 -0.015 0.000 0.893 619 L CB 0.824 42.857 42.059 -0.043 0.000 1.272 619 L HN 0.825 nan 8.230 nan 0.000 0.435 620 M N 2.769 122.355 119.600 -0.023 0.000 2.342 620 M HA 0.642 5.122 4.480 -0.000 0.000 0.332 620 M C -2.663 173.641 176.300 0.005 0.000 1.166 620 M CA -2.086 53.190 55.300 -0.040 0.000 1.086 620 M CB 0.198 32.778 32.600 -0.033 0.000 1.541 620 M HN 0.028 nan 8.290 nan 0.000 0.462 621 P HA 0.344 nan 4.420 nan 0.000 0.274 621 P C -1.197 176.151 177.300 0.080 0.000 1.246 621 P CA -0.295 62.850 63.100 0.075 0.000 0.795 621 P CB 0.632 32.401 31.700 0.116 0.000 1.006 622 S N -1.419 114.342 115.700 0.103 0.000 2.536 622 S HA 0.233 4.703 4.470 -0.000 0.000 0.246 622 S C 0.319 174.979 174.600 0.100 0.000 1.077 622 S CA -0.565 57.694 58.200 0.098 0.000 1.091 622 S CB 1.261 64.516 63.200 0.092 0.000 1.148 622 S HN 0.419 nan 8.310 nan 0.000 0.447 623 E N 3.366 123.625 120.200 0.098 0.000 2.024 623 E HA 0.009 4.359 4.350 -0.000 0.000 0.190 623 E C 1.686 178.325 176.600 0.064 0.000 0.974 623 E CA 2.124 58.572 56.400 0.081 0.000 0.810 623 E CB -0.660 29.088 29.700 0.080 0.000 0.775 623 E HN 0.673 nan 8.360 nan 0.000 0.453 624 T N 0.423 115.020 114.554 0.072 0.000 2.580 624 T HA -0.191 4.159 4.350 -0.000 0.000 0.265 624 T C 2.036 176.771 174.700 0.058 0.000 1.063 624 T CA 1.974 64.107 62.100 0.055 0.000 1.170 624 T CB -0.734 68.198 68.868 0.106 0.000 0.863 624 T HN 0.167 nan 8.240 nan 0.000 0.418 625 S N 1.998 117.771 115.700 0.120 0.000 2.372 625 S HA -0.177 4.293 4.470 -0.000 0.000 0.227 625 S C 2.454 177.115 174.600 0.101 0.000 1.044 625 S CA 1.583 59.872 58.200 0.148 0.000 1.050 625 S CB -0.726 62.565 63.200 0.153 0.000 0.901 625 S HN 0.480 nan 8.310 nan 0.000 0.447 626 S N 1.768 117.516 115.700 0.081 0.000 2.382 626 S HA -0.149 4.321 4.470 -0.000 0.000 0.228 626 S C 2.065 176.676 174.600 0.018 0.000 1.027 626 S CA 1.037 59.275 58.200 0.062 0.000 0.991 626 S CB -0.373 62.873 63.200 0.077 0.000 0.823 626 S HN 0.551 nan 8.310 nan 0.000 0.469 627 Q N 0.584 120.385 119.800 0.002 0.000 2.050 627 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 627 Q C 2.199 178.167 176.000 -0.053 0.000 0.980 627 Q CA 1.117 56.899 55.803 -0.034 0.000 0.840 627 Q CB -0.400 28.308 28.738 -0.051 0.000 0.898 627 Q HN 0.469 nan 8.270 nan 0.000 0.424 628 I N 0.987 121.530 120.570 -0.045 0.000 2.194 628 I HA -0.228 3.942 4.170 -0.000 0.000 0.246 628 I C 1.713 177.776 176.117 -0.090 0.000 1.093 628 I CA 1.397 62.701 61.300 0.007 0.000 1.355 628 I CB -0.931 37.125 38.000 0.093 0.000 1.046 628 I HN 0.089 nan 8.210 nan 0.000 0.413 629 S N 0.809 116.393 115.700 -0.193 0.000 2.671 629 S HA 0.015 4.485 4.470 -0.000 0.000 0.220 629 S C 0.615 175.004 174.600 -0.351 0.000 0.951 629 S CA -0.212 57.669 58.200 -0.531 0.000 0.932 629 S CB -0.780 62.310 63.200 -0.184 0.000 0.777 629 S HN 0.510 nan 8.310 nan 0.000 0.508 630 N N 1.972 120.557 118.700 -0.192 0.000 2.652 630 N HA -0.218 4.522 4.740 -0.000 0.000 0.281 630 N C -0.496 174.973 175.510 -0.068 0.000 1.084 630 N CA 0.814 53.805 53.050 -0.100 0.000 0.775 630 N CB -1.226 37.221 38.487 -0.067 0.000 0.923 630 N HN 0.635 nan 8.380 nan 0.000 0.558 631 A N 0.901 123.710 122.820 -0.018 0.000 2.566 631 A HA 0.760 5.080 4.320 -0.000 0.000 0.292 631 A C 0.224 177.860 177.584 0.087 0.000 1.112 631 A CA -0.153 51.914 52.037 0.051 0.000 0.707 631 A CB 0.764 19.819 19.000 0.092 0.000 1.302 631 A HN 0.746 nan 8.150 nan 0.000 0.409 632 T N -0.564 114.087 114.554 0.162 0.000 2.899 632 T HA 0.360 4.710 4.350 -0.000 0.000 0.295 632 T C 0.023 174.830 174.700 0.178 0.000 1.033 632 T CA -0.302 61.902 62.100 0.174 0.000 1.084 632 T CB -0.253 68.775 68.868 0.267 0.000 0.979 632 T HN 0.565 nan 8.240 nan 0.000 0.532 633 N N 1.831 120.621 118.700 0.151 0.000 2.475 633 N HA 0.447 5.187 4.740 -0.000 0.000 0.267 633 N C 1.424 177.050 175.510 0.194 0.000 1.169 633 N CA 0.426 53.566 53.050 0.150 0.000 0.947 633 N CB 0.378 38.939 38.487 0.122 0.000 1.061 633 N HN 1.062 nan 8.380 nan 0.000 0.466 634 G N 2.463 111.371 108.800 0.180 0.000 2.648 634 G HA2 -0.372 3.587 3.960 -0.000 0.000 0.357 634 G HA3 -0.372 3.587 3.960 -0.000 0.000 0.357 634 G C 0.921 175.986 174.900 0.276 0.000 1.342 634 G CA 1.023 46.236 45.100 0.188 0.000 0.978 634 G HN 0.762 nan 8.290 nan 0.000 0.532 635 I N -1.523 119.209 120.570 0.270 0.000 3.419 635 I HA 0.313 4.483 4.170 -0.000 0.000 0.286 635 I C 0.495 176.969 176.117 0.596 0.000 1.268 635 I CA 0.361 61.907 61.300 0.410 0.000 1.414 635 I CB -0.182 37.902 38.000 0.140 0.000 1.074 635 I HN 0.102 nan 8.210 nan 0.000 0.457 636 E N 4.081 124.527 120.200 0.410 0.000 2.413 636 E HA 0.202 4.552 4.350 -0.000 0.000 0.263 636 E C -2.154 174.587 176.600 0.236 0.000 1.015 636 E CA -2.160 54.425 56.400 0.309 0.000 0.916 636 E CB -0.049 29.752 29.700 0.168 0.000 0.947 636 E HN 0.196 nan 8.360 nan 0.000 0.440 637 P HA 0.213 nan 4.420 nan 0.000 0.275 637 P C -2.512 174.724 177.300 -0.107 0.000 1.228 637 P CA -1.509 61.508 63.100 -0.138 0.000 0.786 637 P CB -0.093 31.228 31.700 -0.631 0.000 0.927 638 P HA 0.284 nan 4.420 nan 0.000 0.275 638 P C 0.853 178.038 177.300 -0.193 0.000 1.228 638 P CA -0.220 62.812 63.100 -0.113 0.000 0.786 638 P CB 1.034 32.648 31.700 -0.144 0.000 0.927 639 R N 0.776 121.179 120.500 -0.163 0.000 2.115 639 R HA 0.151 4.491 4.340 -0.000 0.000 0.226 639 R C 1.156 177.380 176.300 -0.127 0.000 1.100 639 R CA 1.187 57.196 56.100 -0.151 0.000 0.980 639 R CB -0.099 30.169 30.300 -0.053 0.000 0.875 639 R HN 0.707 nan 8.270 nan 0.000 0.445 640 G N -2.610 106.087 108.800 -0.173 0.000 2.600 640 G HA2 0.214 4.174 3.960 -0.000 0.000 0.293 640 G HA3 0.214 4.174 3.960 -0.000 0.000 0.293 640 G C -0.766 173.964 174.900 -0.284 0.000 1.408 640 G CA -0.706 44.256 45.100 -0.230 0.000 0.782 640 G HN -0.005 nan 8.290 nan 0.000 0.482 641 Y N -0.924 119.334 120.300 -0.071 0.000 2.457 641 Y HA 0.296 4.846 4.550 -0.000 0.000 0.292 641 Y C 1.284 177.066 175.900 -0.197 0.000 1.125 641 Y CA 0.315 58.332 58.100 -0.139 0.000 1.254 641 Y CB 0.358 38.744 38.460 -0.123 0.000 1.012 641 Y HN 0.123 nan 8.280 nan 0.000 0.555 642 V N -0.356 119.549 119.914 -0.016 0.000 2.531 642 V HA 0.307 4.427 4.120 -0.000 0.000 0.301 642 V C -0.238 175.831 176.094 -0.043 0.000 1.034 642 V CA -1.065 61.200 62.300 -0.058 0.000 0.865 642 V CB 1.796 33.576 31.823 -0.071 0.000 0.995 642 V HN -0.070 nan 8.190 nan 0.000 0.424 643 S N 4.488 120.162 115.700 -0.044 0.000 2.525 643 S HA 0.745 5.215 4.470 -0.000 0.000 0.278 643 S C -0.488 174.099 174.600 -0.022 0.000 1.234 643 S CA -0.288 57.894 58.200 -0.030 0.000 1.058 643 S CB 0.642 63.824 63.200 -0.030 0.000 0.983 643 S HN 0.515 nan 8.310 nan 0.000 0.495 644 I N 3.429 123.991 120.570 -0.013 0.000 2.474 644 I HA 0.523 4.693 4.170 -0.000 0.000 0.294 644 I C -0.258 175.856 176.117 -0.005 0.000 1.005 644 I CA -0.377 60.918 61.300 -0.009 0.000 1.113 644 I CB 1.893 39.889 38.000 -0.007 0.000 1.289 644 I HN 0.444 nan 8.210 nan 0.000 0.436 645 K N 4.601 124.999 120.400 -0.004 0.000 2.498 645 K HA 0.834 5.154 4.320 -0.000 0.000 0.254 645 K C -1.413 175.186 176.600 -0.001 0.000 0.933 645 K CA -0.571 55.713 56.287 -0.004 0.000 0.806 645 K CB 1.946 34.438 32.500 -0.013 0.000 1.301 645 K HN 0.640 nan 8.250 nan 0.000 0.432 646 A N 1.728 124.549 122.820 0.001 0.000 2.304 646 A HA 0.640 4.960 4.320 -0.000 0.000 0.301 646 A C -0.576 177.009 177.584 0.002 0.000 1.132 646 A CA -0.231 51.809 52.037 0.004 0.000 0.819 646 A CB 1.121 20.124 19.000 0.005 0.000 1.094 646 A HN 0.696 nan 8.150 nan 0.000 0.492 647 S N 0.440 116.144 115.700 0.007 0.000 2.638 647 S HA 0.422 4.892 4.470 -0.000 0.000 0.274 647 S C 0.724 175.332 174.600 0.014 0.000 1.157 647 S CA 0.046 58.248 58.200 0.004 0.000 0.826 647 S CB 1.209 64.406 63.200 -0.006 0.000 1.139 647 S HN 0.910 nan 8.310 nan 0.000 0.474 648 K N 0.527 120.935 120.400 0.014 0.000 2.148 648 K HA 0.021 4.341 4.320 -0.000 0.000 0.204 648 K C 0.468 177.086 176.600 0.030 0.000 1.050 648 K CA 1.655 57.954 56.287 0.020 0.000 0.942 648 K CB -0.427 32.085 32.500 0.020 0.000 0.724 648 K HN 0.550 nan 8.250 nan 0.000 0.446 649 D N 1.136 121.558 120.400 0.037 0.000 2.363 649 D HA 0.092 4.732 4.640 -0.000 0.000 0.226 649 D C 0.783 177.124 176.300 0.068 0.000 1.020 649 D CA 1.085 55.119 54.000 0.058 0.000 0.892 649 D CB 0.650 41.493 40.800 0.073 0.000 0.900 649 D HN 0.537 nan 8.370 nan 0.000 0.531 650 G N 0.397 109.229 108.800 0.052 0.000 2.334 650 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.315 650 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.315 650 G C -1.202 173.726 174.900 0.047 0.000 1.284 650 G CA -1.034 44.096 45.100 0.051 0.000 0.985 650 G HN 0.082 nan 8.290 nan 0.000 0.504 651 I N 0.983 121.578 120.570 0.041 0.000 2.371 651 I HA 0.360 4.529 4.170 -0.000 0.000 0.290 651 I C 0.408 176.560 176.117 0.059 0.000 1.028 651 I CA -0.384 60.935 61.300 0.032 0.000 1.345 651 I CB 0.991 38.998 38.000 0.012 0.000 1.407 651 I HN 0.279 nan 8.210 nan 0.000 0.501 652 L N 7.544 128.793 121.223 0.043 0.000 2.275 652 L HA 0.484 4.824 4.340 -0.000 0.000 0.288 652 L C 0.087 176.976 176.870 0.032 0.000 1.046 652 L CA -0.415 54.458 54.840 0.054 0.000 0.805 652 L CB 0.782 42.836 42.059 -0.009 0.000 1.193 652 L HN 0.552 nan 8.230 nan 0.000 0.426 653 R N 2.951 123.483 120.500 0.053 0.000 2.494 653 R HA 0.459 4.799 4.340 -0.000 0.000 0.305 653 R C -0.991 175.308 176.300 -0.001 0.000 0.959 653 R CA -0.603 55.502 56.100 0.009 0.000 0.864 653 R CB 2.377 32.671 30.300 -0.010 0.000 1.159 653 R HN 0.536 nan 8.270 nan 0.000 0.446 654 Q N 2.709 122.490 119.800 -0.032 0.000 2.292 654 Q HA 0.343 4.683 4.340 -0.000 0.000 0.270 654 Q C -1.382 174.577 176.000 -0.068 0.000 1.024 654 Q CA -0.710 55.063 55.803 -0.051 0.000 0.768 654 Q CB 2.242 30.952 28.738 -0.047 0.000 1.250 654 Q HN 0.375 nan 8.270 nan 0.000 0.447 655 V N 3.631 123.495 119.914 -0.085 0.000 2.509 655 V HA 0.303 4.422 4.120 -0.000 0.000 0.284 655 V C 0.513 176.572 176.094 -0.058 0.000 1.047 655 V CA -0.870 61.372 62.300 -0.097 0.000 0.952 655 V CB 1.050 32.800 31.823 -0.123 0.000 0.988 655 V HN 0.671 nan 8.190 nan 0.000 0.469 656 V N 2.971 122.855 119.914 -0.050 0.000 2.814 656 V HA 0.150 4.269 4.120 -0.000 0.000 0.307 656 V C -2.033 174.081 176.094 0.034 0.000 1.089 656 V CA -1.351 60.917 62.300 -0.052 0.000 1.212 656 V CB -0.670 31.014 31.823 -0.233 0.000 0.912 656 V HN 0.790 nan 8.190 nan 0.000 0.497 657 P HA 0.083 nan 4.420 nan 0.000 0.263 657 P C 0.105 177.382 177.300 -0.037 0.000 1.195 657 P CA 0.672 63.669 63.100 -0.171 0.000 0.762 657 P CB 0.097 31.419 31.700 -0.630 0.000 0.799 658 D N 1.887 122.324 120.400 0.062 0.000 2.723 658 D HA -0.270 4.369 4.640 -0.000 0.000 0.236 658 D C 0.379 176.842 176.300 0.272 0.000 1.138 658 D CA 0.546 54.647 54.000 0.168 0.000 0.676 658 D CB -1.583 39.372 40.800 0.260 0.000 1.069 658 D HN 0.484 nan 8.370 nan 0.000 0.430 659 Y N 0.571 120.966 120.300 0.158 0.000 2.165 659 Y HA -0.184 4.366 4.550 -0.000 0.000 0.286 659 Y C 2.183 178.201 175.900 0.197 0.000 1.155 659 Y CA 2.611 60.835 58.100 0.207 0.000 1.164 659 Y CB -0.238 38.269 38.460 0.079 0.000 0.978 659 Y HN 0.304 nan 8.280 nan 0.000 0.513 660 E N -0.999 119.207 120.200 0.011 0.000 2.187 660 E HA -0.294 4.056 4.350 -0.000 0.000 0.199 660 E C 1.252 177.765 176.600 -0.145 0.000 1.004 660 E CA 2.260 58.556 56.400 -0.173 0.000 0.813 660 E CB -0.219 29.273 29.700 -0.346 0.000 0.736 660 E HN 0.819 nan 8.360 nan 0.000 0.468 661 H N -2.318 116.801 119.070 0.082 0.000 3.058 661 H HA 0.266 4.822 4.556 -0.000 0.000 0.258 661 H C 0.921 176.213 175.328 -0.061 0.000 1.015 661 H CA 0.025 56.086 56.048 0.020 0.000 1.210 661 H CB 0.849 30.623 29.762 0.020 0.000 1.481 661 H HN 0.055 nan 8.280 nan 0.000 0.492 662 L N 1.512 122.792 121.223 0.095 0.000 3.016 662 L HA 0.071 4.410 4.340 -0.000 0.000 0.267 662 L C 1.825 178.737 176.870 0.071 0.000 1.182 662 L CA -0.108 54.746 54.840 0.023 0.000 0.997 662 L CB 0.069 42.182 42.059 0.090 0.000 1.354 662 L HN 0.474 nan 8.230 nan 0.000 0.569 663 H N -0.647 118.393 119.070 -0.049 0.000 2.357 663 H HA -0.211 4.345 4.556 -0.001 0.000 0.296 663 H C 0.658 176.103 175.328 0.197 0.000 1.108 663 H CA 1.719 57.723 56.048 -0.075 0.000 1.273 663 H CB -0.378 28.843 29.762 -0.903 0.000 1.367 663 H HN 0.316 nan 8.280 nan 0.000 0.498 664 D N 0.953 121.128 120.400 -0.374 0.000 2.317 664 D HA 0.121 4.760 4.640 -0.000 0.000 0.211 664 D C 2.144 178.434 176.300 -0.016 0.000 0.966 664 D CA 0.964 54.891 54.000 -0.120 0.000 0.876 664 D CB 0.002 40.648 40.800 -0.255 0.000 0.927 664 D HN 0.578 nan 8.370 nan 0.000 0.519 665 A N -0.144 122.648 122.820 -0.046 0.000 2.021 665 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 665 A C 0.605 178.182 177.584 -0.013 0.000 1.163 665 A CA 0.111 52.106 52.037 -0.069 0.000 0.676 665 A CB -0.328 18.575 19.000 -0.162 0.000 0.818 665 A HN 0.069 nan 8.150 nan 0.000 0.453 666 Y N 0.461 120.839 120.300 0.129 0.000 2.550 666 Y HA 0.265 4.815 4.550 -0.000 0.000 0.343 666 Y C 0.750 176.725 175.900 0.124 0.000 1.245 666 Y CA 0.507 58.703 58.100 0.159 0.000 1.462 666 Y CB 0.413 39.005 38.460 0.220 0.000 1.340 666 Y HN 0.368 nan 8.280 nan 0.000 0.604 667 E N 3.603 123.984 120.200 0.301 0.000 2.186 667 E HA 0.378 4.728 4.350 -0.000 0.000 0.255 667 E C -1.510 175.132 176.600 0.069 0.000 0.881 667 E CA -0.455 56.051 56.400 0.177 0.000 0.752 667 E CB 0.495 30.310 29.700 0.192 0.000 1.176 667 E HN 0.586 nan 8.360 nan 0.000 0.421 668 L N 4.587 125.800 121.223 -0.017 0.000 2.436 668 L HA 0.120 4.460 4.340 -0.000 0.000 0.265 668 L C 1.617 178.363 176.870 -0.207 0.000 1.168 668 L CA -0.482 54.273 54.840 -0.142 0.000 0.815 668 L CB 0.392 42.337 42.059 -0.189 0.000 1.109 668 L HN 0.719 nan 8.230 nan 0.000 0.462 669 L N 1.754 122.761 121.223 -0.359 0.000 2.034 669 L HA -0.219 4.121 4.340 -0.000 0.000 0.217 669 L C 1.527 178.032 176.870 -0.608 0.000 1.077 669 L CA 2.180 56.649 54.840 -0.618 0.000 0.769 669 L CB -0.384 41.124 42.059 -0.918 0.000 0.890 669 L HN 0.573 nan 8.230 nan 0.000 0.435 670 W N -0.677 120.575 121.300 -0.081 0.000 3.388 670 W HA 0.151 4.812 4.660 0.001 0.000 0.324 670 W C 1.953 178.453 176.519 -0.031 0.000 1.250 670 W CA -0.226 57.089 57.345 -0.051 0.000 1.809 670 W CB -0.024 29.415 29.460 -0.035 0.000 1.083 670 W HN 0.198 nan 8.180 nan 0.000 0.685 671 E N 0.354 120.613 120.200 0.098 0.000 2.318 671 E HA 0.022 4.372 4.350 -0.000 0.000 0.193 671 E C 0.996 177.634 176.600 0.064 0.000 0.998 671 E CA 0.290 56.741 56.400 0.084 0.000 0.859 671 E CB 0.040 29.778 29.700 0.064 0.000 0.812 671 E HN 0.230 nan 8.360 nan 0.000 0.492 672 M N 2.191 121.804 119.600 0.023 0.000 2.238 672 M HA 0.028 4.508 4.480 -0.000 0.000 0.350 672 M C -1.638 174.696 176.300 0.057 0.000 1.321 672 M CA -1.208 54.106 55.300 0.023 0.000 1.097 672 M CB 0.232 32.804 32.600 -0.045 0.000 1.713 672 M HN -0.157 nan 8.290 nan 0.000 0.455 673 P HA 0.051 nan 4.420 nan 0.000 0.220 673 P C 0.513 177.856 177.300 0.072 0.000 1.152 673 P CA 0.828 63.962 63.100 0.057 0.000 0.812 673 P CB 0.354 32.084 31.700 0.050 0.000 0.792 674 G N -1.415 107.431 108.800 0.077 0.000 2.634 674 G HA2 0.187 4.147 3.960 -0.000 0.000 0.309 674 G HA3 0.187 4.147 3.960 -0.000 0.000 0.309 674 G C -0.261 174.673 174.900 0.055 0.000 1.299 674 G CA -0.343 44.815 45.100 0.097 0.000 0.798 674 G HN -0.186 nan 8.290 nan 0.000 0.490 675 N N 0.178 118.919 118.700 0.068 0.000 2.299 675 N HA 0.049 4.789 4.740 -0.000 0.000 0.187 675 N C 0.991 176.593 175.510 0.154 0.000 1.099 675 N CA 0.218 53.306 53.050 0.063 0.000 0.867 675 N CB 0.554 39.053 38.487 0.019 0.000 0.974 675 N HN 0.496 nan 8.380 nan 0.000 0.477 676 D N 0.955 121.442 120.400 0.145 0.000 2.087 676 D HA -0.127 4.513 4.640 -0.000 0.000 0.192 676 D C 1.939 178.302 176.300 0.105 0.000 0.993 676 D CA 1.358 55.438 54.000 0.133 0.000 0.828 676 D CB -0.257 40.617 40.800 0.124 0.000 0.968 676 D HN 0.235 nan 8.370 nan 0.000 0.448 677 G N 0.401 109.274 108.800 0.121 0.000 2.529 677 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.219 677 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.219 677 G C 1.580 176.580 174.900 0.167 0.000 1.177 677 G CA 1.085 46.259 45.100 0.122 0.000 0.773 677 G HN 0.318 nan 8.290 nan 0.000 0.573 678 Y N 1.032 121.405 120.300 0.122 0.000 2.181 678 Y HA -0.030 4.520 4.550 0.000 0.000 0.288 678 Y C 2.630 178.580 175.900 0.085 0.000 1.146 678 Y CA 1.482 59.685 58.100 0.172 0.000 1.164 678 Y CB -0.222 38.322 38.460 0.140 0.000 0.982 678 Y HN 0.118 nan 8.280 nan 0.000 0.515 679 L N -0.032 121.311 121.223 0.200 0.000 2.131 679 L HA -0.261 4.078 4.340 -0.000 0.000 0.210 679 L C 2.485 179.280 176.870 -0.125 0.000 1.092 679 L CA 1.504 56.390 54.840 0.077 0.000 0.759 679 L CB -0.528 41.633 42.059 0.170 0.000 0.903 679 L HN 0.367 nan 8.230 nan 0.000 0.435 680 Q N -0.317 119.349 119.800 -0.224 0.000 2.083 680 Q HA -0.154 4.186 4.340 -0.000 0.000 0.198 680 Q C 2.399 178.235 176.000 -0.273 0.000 0.969 680 Q CA 1.146 56.680 55.803 -0.448 0.000 0.838 680 Q CB -0.051 28.422 28.738 -0.441 0.000 0.900 680 Q HN 0.512 nan 8.270 nan 0.000 0.436 681 L N 0.003 121.121 121.223 -0.174 0.000 2.017 681 L HA -0.200 4.139 4.340 -0.000 0.000 0.208 681 L C 2.402 179.124 176.870 -0.246 0.000 1.073 681 L CA 0.853 55.607 54.840 -0.143 0.000 0.745 681 L CB -0.616 41.410 42.059 -0.055 0.000 0.894 681 L HN 0.110 nan 8.230 nan 0.000 0.432 682 V N 0.425 120.146 119.914 -0.322 0.000 2.282 682 V HA -0.275 3.844 4.120 -0.000 0.000 0.249 682 V C 2.633 178.593 176.094 -0.223 0.000 1.057 682 V CA 2.197 64.302 62.300 -0.325 0.000 1.032 682 V CB -1.311 30.320 31.823 -0.320 0.000 0.645 682 V HN 0.600 nan 8.190 nan 0.000 0.447 683 G N -0.545 108.159 108.800 -0.160 0.000 2.422 683 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 683 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 683 G C 1.572 176.403 174.900 -0.116 0.000 1.146 683 G CA 0.957 46.002 45.100 -0.092 0.000 0.769 683 G HN 0.492 nan 8.290 nan 0.000 0.547 684 I N 0.431 120.921 120.570 -0.134 0.000 2.226 684 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 684 I C 2.942 178.987 176.117 -0.119 0.000 1.100 684 I CA 1.052 62.304 61.300 -0.079 0.000 1.374 684 I CB -0.202 37.794 38.000 -0.006 0.000 1.057 684 I HN 0.203 nan 8.210 nan 0.000 0.413 685 M N -0.285 119.133 119.600 -0.302 0.000 2.117 685 M HA -0.264 4.216 4.480 -0.000 0.000 0.262 685 M C 2.351 178.490 176.300 -0.269 0.000 1.065 685 M CA 1.740 56.695 55.300 -0.574 0.000 1.114 685 M CB -0.491 31.552 32.600 -0.929 0.000 1.361 685 M HN 0.137 nan 8.290 nan 0.000 0.408 686 Q N 1.088 120.779 119.800 -0.180 0.000 2.291 686 Q HA -0.147 4.193 4.340 -0.000 0.000 0.206 686 Q C 1.757 177.784 176.000 0.046 0.000 0.976 686 Q CA 1.510 57.279 55.803 -0.056 0.000 0.875 686 Q CB -0.279 28.436 28.738 -0.039 0.000 0.927 686 Q HN 0.385 nan 8.270 nan 0.000 0.450 687 K N -0.954 119.378 120.400 -0.113 0.000 2.063 687 K HA -0.172 4.147 4.320 -0.000 0.000 0.208 687 K C 0.930 177.327 176.600 -0.338 0.000 1.048 687 K CA 1.652 57.729 56.287 -0.351 0.000 0.928 687 K CB -0.121 31.917 32.500 -0.771 0.000 0.713 687 K HN 0.311 nan 8.250 nan 0.000 0.442 688 F N 0.676 120.604 119.950 -0.037 0.000 2.678 688 F HA 0.222 4.748 4.527 -0.001 0.000 0.291 688 F C 0.734 176.573 175.800 0.065 0.000 1.123 688 F CA -0.591 57.423 58.000 0.023 0.000 1.395 688 F CB 0.203 39.230 39.000 0.044 0.000 1.121 688 F HN -0.163 nan 8.300 nan 0.000 0.592 689 I N 1.981 122.660 120.570 0.182 0.000 2.618 689 I HA -0.093 4.077 4.170 -0.000 0.000 0.284 689 I C 1.091 177.228 176.117 0.033 0.000 1.146 689 I CA 0.258 61.621 61.300 0.105 0.000 1.425 689 I CB 0.204 38.216 38.000 0.021 0.000 1.383 689 I HN 0.187 nan 8.210 nan 0.000 0.562 690 D N 4.276 124.711 120.400 0.057 0.000 2.144 690 D HA -0.128 4.511 4.640 -0.000 0.000 0.199 690 D C 1.357 177.636 176.300 -0.035 0.000 0.984 690 D CA 1.497 55.505 54.000 0.012 0.000 0.834 690 D CB 0.575 41.425 40.800 0.084 0.000 0.955 690 D HN 0.627 nan 8.370 nan 0.000 0.465 691 Q N -0.625 119.174 119.800 -0.001 0.000 3.081 691 Q HA 0.305 4.644 4.340 -0.000 0.000 0.219 691 Q C 0.131 176.123 176.000 -0.015 0.000 1.169 691 Q CA -0.369 55.435 55.803 0.002 0.000 0.309 691 Q CB 0.960 29.711 28.738 0.022 0.000 5.821 691 Q HN -0.085 nan 8.270 nan 0.000 0.320 692 S N -1.040 114.650 115.700 -0.017 0.000 2.732 692 S HA 0.672 5.142 4.470 -0.000 0.000 0.293 692 S C -1.546 173.026 174.600 -0.046 0.000 1.159 692 S CA -0.701 57.484 58.200 -0.025 0.000 0.847 692 S CB 0.888 64.077 63.200 -0.018 0.000 1.169 692 S HN 0.327 nan 8.310 nan 0.000 0.501 693 I N 1.551 122.090 120.570 -0.051 0.000 2.569 693 I HA 0.352 4.522 4.170 -0.000 0.000 0.296 693 I C -0.329 175.750 176.117 -0.063 0.000 1.028 693 I CA -0.651 60.609 61.300 -0.067 0.000 1.082 693 I CB 2.424 40.371 38.000 -0.087 0.000 1.264 693 I HN 0.479 nan 8.210 nan 0.000 0.429 694 S N 4.667 120.319 115.700 -0.081 0.000 4.087 694 S HA 0.434 4.903 4.470 -0.000 0.000 0.213 694 S C 0.297 174.958 174.600 0.102 0.000 1.415 694 S CA -0.664 57.468 58.200 -0.113 0.000 0.893 694 S CB -0.123 62.911 63.200 -0.276 0.000 1.529 694 S HN 0.643 nan 8.310 nan 0.000 0.457 695 A N 3.095 126.002 122.820 0.146 0.000 2.401 695 A HA 0.389 4.709 4.320 -0.000 0.000 0.259 695 A C 0.444 178.231 177.584 0.338 0.000 1.103 695 A CA -0.526 51.684 52.037 0.288 0.000 0.789 695 A CB 0.284 19.424 19.000 0.234 0.000 1.035 695 A HN 0.696 nan 8.150 nan 0.000 0.491 696 N N -0.204 118.709 118.700 0.354 0.000 2.432 696 N HA 0.623 5.363 4.740 -0.000 0.000 0.292 696 N C -0.851 174.687 175.510 0.046 0.000 1.193 696 N CA -0.392 52.765 53.050 0.178 0.000 0.878 696 N CB 1.925 40.456 38.487 0.073 0.000 1.252 696 N HN 0.732 nan 8.380 nan 0.000 0.520 697 T N -1.139 113.434 114.554 0.031 0.000 2.841 697 T HA 0.427 4.777 4.350 -0.000 0.000 0.285 697 T C -0.919 173.660 174.700 -0.202 0.000 0.991 697 T CA -1.049 61.001 62.100 -0.082 0.000 0.966 697 T CB 0.975 69.900 68.868 0.095 0.000 0.962 697 T HN 0.352 nan 8.240 nan 0.000 0.438 698 N N 2.504 120.947 118.700 -0.429 0.000 2.342 698 N HA 0.407 5.147 4.740 -0.000 0.000 0.293 698 N C -1.624 173.662 175.510 -0.374 0.000 1.026 698 N CA -0.560 52.317 53.050 -0.288 0.000 0.857 698 N CB 2.071 40.305 38.487 -0.422 0.000 1.256 698 N HN 0.588 nan 8.380 nan 0.000 0.484 699 Y N -0.281 120.249 120.300 0.384 0.000 2.425 699 Y HA 0.239 4.789 4.550 -0.000 0.000 0.344 699 Y C -0.328 175.779 175.900 0.346 0.000 0.969 699 Y CA -0.985 57.338 58.100 0.371 0.000 1.052 699 Y CB 1.836 40.422 38.460 0.210 0.000 1.215 699 Y HN 0.379 nan 8.280 nan 0.000 0.451 700 D N 4.257 124.945 120.400 0.480 0.000 2.414 700 D HA 0.344 4.984 4.640 -0.000 0.000 0.232 700 D C -2.165 174.306 176.300 0.285 0.000 1.070 700 D CA -2.611 51.481 54.000 0.153 0.000 0.839 700 D CB 2.173 43.010 40.800 0.062 0.000 1.079 700 D HN 0.172 nan 8.370 nan 0.000 0.521 701 P HA -0.096 nan 4.420 nan 0.000 0.218 701 P C 1.165 178.577 177.300 0.186 0.000 1.148 701 P CA 0.804 64.040 63.100 0.227 0.000 0.822 701 P CB 0.312 32.059 31.700 0.079 0.000 0.784 702 S N -0.014 115.722 115.700 0.061 0.000 2.400 702 S HA -0.141 4.329 4.470 -0.000 0.000 0.232 702 S C 1.700 176.290 174.600 -0.016 0.000 1.025 702 S CA 1.059 59.267 58.200 0.013 0.000 0.993 702 S CB -0.720 62.460 63.200 -0.033 0.000 0.808 702 S HN 0.289 nan 8.310 nan 0.000 0.478 703 R N -0.041 120.409 120.500 -0.083 0.000 2.323 703 R HA 0.176 4.515 4.340 -0.000 0.000 0.198 703 R C -0.609 175.376 176.300 -0.525 0.000 0.988 703 R CA 0.355 56.271 56.100 -0.307 0.000 1.041 703 R CB -0.097 29.930 30.300 -0.454 0.000 0.926 703 R HN 0.342 nan 8.270 nan 0.000 0.476 704 F N 0.990 120.964 119.950 0.040 0.000 2.492 704 F HA 0.352 4.879 4.527 -0.000 0.000 0.327 704 F C -1.926 173.887 175.800 0.021 0.000 1.079 704 F CA -3.494 54.527 58.000 0.035 0.000 0.967 704 F CB 0.799 39.819 39.000 0.033 0.000 1.169 704 F HN -0.254 nan 8.300 nan 0.000 0.472 705 P HA 0.094 nan 4.420 nan 0.000 0.266 705 P C 0.022 177.384 177.300 0.102 0.000 1.215 705 P CA 0.440 63.608 63.100 0.112 0.000 0.763 705 P CB 0.828 32.584 31.700 0.094 0.000 0.806 706 S N 1.970 117.712 115.700 0.070 0.000 3.361 706 S HA -0.137 4.332 4.470 -0.000 0.000 0.288 706 S C 1.072 175.707 174.600 0.057 0.000 1.269 706 S CA 0.979 59.211 58.200 0.052 0.000 0.976 706 S CB -2.116 61.108 63.200 0.041 0.000 1.162 706 S HN 1.117 nan 8.310 nan 0.000 0.643 707 G N 1.644 110.496 108.800 0.087 0.000 2.338 707 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.296 707 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.296 707 G C -0.353 174.588 174.900 0.068 0.000 1.040 707 G CA 0.936 46.091 45.100 0.091 0.000 1.004 707 G HN 1.161 nan 8.290 nan 0.000 0.509 708 K N -0.954 119.488 120.400 0.069 0.000 2.601 708 K HA 0.579 4.899 4.320 -0.000 0.000 0.249 708 K C -0.228 176.277 176.600 -0.159 0.000 0.966 708 K CA -1.140 55.131 56.287 -0.027 0.000 0.827 708 K CB 2.205 34.691 32.500 -0.023 0.000 1.178 708 K HN 0.208 nan 8.250 nan 0.000 0.437 709 V N 3.162 122.890 119.914 -0.311 0.000 2.458 709 V HA 0.085 4.204 4.120 -0.000 0.000 0.287 709 V C -1.743 174.067 176.094 -0.473 0.000 1.009 709 V CA -1.093 60.802 62.300 -0.676 0.000 1.091 709 V CB -0.573 30.879 31.823 -0.619 0.000 0.960 709 V HN 0.737 nan 8.190 nan 0.000 0.476 710 P HA 0.133 nan 4.420 nan 0.000 0.271 710 P C 0.504 177.681 177.300 -0.206 0.000 1.216 710 P CA -0.454 62.504 63.100 -0.237 0.000 0.771 710 P CB 0.785 32.410 31.700 -0.125 0.000 0.864 711 M N 2.999 122.529 119.600 -0.117 0.000 2.159 711 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 711 M C 2.023 178.297 176.300 -0.044 0.000 1.063 711 M CA 1.836 57.091 55.300 -0.075 0.000 1.110 711 M CB -1.059 31.522 32.600 -0.031 0.000 1.374 711 M HN 0.341 nan 8.290 nan 0.000 0.411 712 Q N -0.101 119.683 119.800 -0.027 0.000 2.112 712 Q HA -0.268 4.072 4.340 -0.000 0.000 0.206 712 Q C 2.066 178.075 176.000 0.015 0.000 0.987 712 Q CA 2.310 58.116 55.803 0.004 0.000 0.858 712 Q CB -0.417 28.333 28.738 0.020 0.000 0.905 712 Q HN 0.630 nan 8.270 nan 0.000 0.420 713 Q N -0.637 119.158 119.800 -0.009 0.000 2.311 713 Q HA 0.031 4.371 4.340 -0.000 0.000 0.203 713 Q C 1.664 177.679 176.000 0.024 0.000 0.954 713 Q CA 1.080 56.903 55.803 0.034 0.000 0.885 713 Q CB -0.031 28.728 28.738 0.036 0.000 0.963 713 Q HN 0.563 nan 8.270 nan 0.000 0.471 714 L N -0.770 120.411 121.223 -0.070 0.000 2.179 714 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 714 L C 1.987 178.916 176.870 0.098 0.000 1.096 714 L CA 0.607 55.426 54.840 -0.035 0.000 0.779 714 L CB -0.255 41.734 42.059 -0.117 0.000 0.922 714 L HN 0.231 nan 8.230 nan 0.000 0.443 715 L N -0.272 120.996 121.223 0.076 0.000 2.131 715 L HA -0.150 4.189 4.340 -0.000 0.000 0.206 715 L C 2.607 179.530 176.870 0.088 0.000 1.087 715 L CA 0.706 55.601 54.840 0.092 0.000 0.767 715 L CB -0.386 41.698 42.059 0.042 0.000 0.917 715 L HN 0.160 nan 8.230 nan 0.000 0.441 716 K N 0.780 121.233 120.400 0.088 0.000 2.009 716 K HA -0.224 4.095 4.320 -0.000 0.000 0.210 716 K C 1.684 178.368 176.600 0.141 0.000 1.049 716 K CA 1.992 58.339 56.287 0.100 0.000 0.929 716 K CB -0.319 32.247 32.500 0.110 0.000 0.714 716 K HN 0.129 nan 8.250 nan 0.000 0.440 717 D N 0.114 120.632 120.400 0.196 0.000 2.144 717 D HA -0.147 4.492 4.640 -0.000 0.000 0.199 717 D C 1.832 178.267 176.300 0.224 0.000 0.984 717 D CA 0.978 55.122 54.000 0.239 0.000 0.834 717 D CB -0.253 40.746 40.800 0.333 0.000 0.955 717 D HN 0.183 nan 8.370 nan 0.000 0.465 718 L N 0.662 122.013 121.223 0.214 0.000 2.046 718 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 718 L C 2.146 179.090 176.870 0.124 0.000 1.077 718 L CA 1.442 56.415 54.840 0.221 0.000 0.747 718 L CB -0.638 41.585 42.059 0.273 0.000 0.896 718 L HN 0.014 nan 8.230 nan 0.000 0.432 719 L N -1.656 119.592 121.223 0.042 0.000 2.056 719 L HA -0.164 4.175 4.340 -0.000 0.000 0.207 719 L C 2.322 179.206 176.870 0.023 0.000 1.078 719 L CA 1.449 56.241 54.840 -0.080 0.000 0.749 719 L CB -1.184 40.823 42.059 -0.087 0.000 0.901 719 L HN 0.218 nan 8.230 nan 0.000 0.433 720 T N 0.330 114.947 114.554 0.104 0.000 2.597 720 T HA -0.302 4.048 4.350 -0.000 0.000 0.267 720 T C 2.062 176.916 174.700 0.257 0.000 1.053 720 T CA 1.742 63.953 62.100 0.185 0.000 1.165 720 T CB -0.423 68.603 68.868 0.265 0.000 0.863 720 T HN 0.467 nan 8.240 nan 0.000 0.427 721 A N 0.626 123.601 122.820 0.259 0.000 1.884 721 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 721 A C 2.101 179.824 177.584 0.232 0.000 1.197 721 A CA 2.343 54.539 52.037 0.266 0.000 0.637 721 A CB -1.355 17.796 19.000 0.252 0.000 0.827 721 A HN 0.641 nan 8.150 nan 0.000 0.450 722 Y N 0.594 120.927 120.300 0.056 0.000 2.128 722 Y HA -0.270 4.279 4.550 -0.000 0.000 0.284 722 Y C 2.433 178.382 175.900 0.081 0.000 1.154 722 Y CA 2.569 60.694 58.100 0.041 0.000 1.149 722 Y CB -0.272 37.998 38.460 -0.317 0.000 0.976 722 Y HN 0.375 nan 8.280 nan 0.000 0.505 723 K N -0.607 119.804 120.400 0.018 0.000 2.113 723 K HA -0.210 4.109 4.320 -0.000 0.000 0.208 723 K C 1.001 177.346 176.600 -0.426 0.000 1.047 723 K CA 1.862 58.011 56.287 -0.229 0.000 0.928 723 K CB -0.466 31.806 32.500 -0.381 0.000 0.716 723 K HN 0.347 nan 8.250 nan 0.000 0.446 724 F N 0.063 119.977 119.950 -0.061 0.000 2.664 724 F HA 0.273 4.800 4.527 -0.001 0.000 0.301 724 F C 1.229 176.913 175.800 -0.193 0.000 1.126 724 F CA 0.392 58.333 58.000 -0.098 0.000 1.373 724 F CB 0.729 39.702 39.000 -0.044 0.000 1.042 724 F HN 0.268 nan 8.300 nan 0.000 0.535 725 G N 0.374 109.040 108.800 -0.224 0.000 2.143 725 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 725 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 725 G C 0.105 174.878 174.900 -0.211 0.000 0.991 725 G CA 0.038 44.801 45.100 -0.561 0.000 0.689 725 G HN 0.141 nan 8.290 nan 0.000 0.522 726 V N 0.174 120.104 119.914 0.027 0.000 2.599 726 V HA 0.152 4.271 4.120 -0.000 0.000 0.300 726 V C 1.712 177.921 176.094 0.192 0.000 1.034 726 V CA 1.258 63.621 62.300 0.105 0.000 1.115 726 V CB 1.265 33.175 31.823 0.146 0.000 0.934 726 V HN 0.442 nan 8.190 nan 0.000 0.485 727 K N 1.907 122.393 120.400 0.144 0.000 2.067 727 K HA 0.056 4.376 4.320 -0.000 0.000 0.203 727 K C 0.772 177.472 176.600 0.167 0.000 1.048 727 K CA 1.162 57.549 56.287 0.168 0.000 0.954 727 K CB 0.183 32.746 32.500 0.105 0.000 0.737 727 K HN 0.927 nan 8.250 nan 0.000 0.444 728 T N -1.802 112.836 114.554 0.140 0.000 2.887 728 T HA 0.622 4.971 4.350 -0.000 0.000 0.292 728 T C -0.784 174.020 174.700 0.174 0.000 1.087 728 T CA -0.964 61.228 62.100 0.154 0.000 1.009 728 T CB 1.689 70.615 68.868 0.098 0.000 1.203 728 T HN -0.104 nan 8.240 nan 0.000 0.518 729 L N 1.798 123.145 121.223 0.208 0.000 2.441 729 L HA 0.471 4.811 4.340 -0.000 0.000 0.270 729 L C -0.868 176.157 176.870 0.259 0.000 0.973 729 L CA -0.957 54.028 54.840 0.242 0.000 0.842 729 L CB 1.801 44.027 42.059 0.277 0.000 1.239 729 L HN 0.702 nan 8.230 nan 0.000 0.406 730 Y N 3.099 123.402 120.300 0.004 0.000 2.958 730 Y HA 0.289 4.839 4.550 0.000 0.000 0.480 730 Y C 0.465 176.432 175.900 0.110 0.000 1.384 730 Y CA -0.343 57.620 58.100 -0.228 0.000 1.949 730 Y CB 0.133 38.396 38.460 -0.328 0.000 1.690 730 Y HN 0.272 nan 8.280 nan 0.000 0.720 731 Y N 1.309 121.450 120.300 -0.266 0.000 2.554 731 Y HA 0.055 4.605 4.550 -0.000 0.000 0.353 731 Y C 0.628 176.570 175.900 0.070 0.000 1.269 731 Y CA 0.353 58.383 58.100 -0.117 0.000 1.494 731 Y CB 0.000 38.317 38.460 -0.239 0.000 1.365 731 Y HN 0.259 nan 8.280 nan 0.000 0.664 732 Q N 2.449 122.427 119.800 0.296 0.000 2.533 732 Q HA 0.202 4.541 4.340 -0.000 0.000 0.251 732 Q C -1.567 174.547 176.000 0.189 0.000 0.966 732 Q CA -0.638 55.307 55.803 0.237 0.000 0.714 732 Q CB 0.451 29.348 28.738 0.266 0.000 1.284 732 Q HN 0.679 nan 8.270 nan 0.000 0.478 733 N N 2.110 120.903 118.700 0.155 0.000 2.430 733 N HA 0.179 4.919 4.740 -0.000 0.000 0.265 733 N C -0.814 174.907 175.510 0.352 0.000 1.100 733 N CA 0.245 53.411 53.050 0.194 0.000 0.961 733 N CB 1.269 39.847 38.487 0.152 0.000 1.075 733 N HN 0.287 nan 8.380 nan 0.000 0.478 734 T N 1.578 116.289 114.554 0.262 0.000 3.250 734 T HA 0.182 4.532 4.350 -0.000 0.000 0.391 734 T C 0.609 175.328 174.700 0.031 0.000 1.502 734 T CA -0.666 61.554 62.100 0.200 0.000 1.320 734 T CB 0.682 69.634 68.868 0.140 0.000 1.102 734 T HN 0.322 nan 8.240 nan 0.000 0.610 735 R N 2.328 122.715 120.500 -0.188 0.000 2.481 735 R HA -0.052 4.287 4.340 -0.000 0.000 0.291 735 R C -1.070 175.027 176.300 -0.338 0.000 0.934 735 R CA 0.831 56.593 56.100 -0.562 0.000 1.116 735 R CB 0.149 29.437 30.300 -1.686 0.000 0.895 735 R HN 0.408 nan 8.270 nan 0.000 0.410 736 D N 3.562 123.826 120.400 -0.227 0.000 2.364 736 D HA 0.217 4.857 4.640 -0.000 0.000 0.251 736 D C 0.051 176.275 176.300 -0.125 0.000 1.282 736 D CA -0.181 53.727 54.000 -0.152 0.000 0.927 736 D CB 1.407 42.158 40.800 -0.081 0.000 1.267 736 D HN 0.710 nan 8.370 nan 0.000 0.531 737 G N 0.000 108.705 108.800 -0.158 0.000 5.446 737 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 737 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 737 G CA 0.000 45.036 45.100 -0.106 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925