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 2x40_1_A DATA FIRST_RESID 2 DATA SEQUENCE EKVNEILSQL TLEEKVKLVV GVGLPGLFGN PHSRVAGAAG ETHPVPRVGL DATA SEQUENCE PAFVLADGPA GLRINPTREN DENTYYTTAF PVEIMLASTW NRELLEEVGK DATA SEQUENCE AMGEEVREYG VDVLLAPAMN IHRNPLCGRN FEYYSEDPVL SGEMASSFVK DATA SEQUENCE GVQSQGVGAC IKHFVANNQE TNRMVVDTIV SERALREIYL RGFEIAVKKS DATA SEQUENCE KPWSVMSAYN KLNGKYCSQN EWLLKKVLRE EWGFEGFVMS DWYAGDNPVE DATA SEQUENCE QLKAGNDLIM PGKAYQVNTE RRDEIEEIME ALKEGKLSEE VLDECVRNIL DATA SEQUENCE KVLVNAPSFK NYRYSNKPDL EKHAKVAYEA GAEGVVLLRN EEALPLSENS DATA SEQUENCE KIALFGTGQI ETIKGGTGSG DTHPRYAISI LEGIKERGLN FDEELAKTYE DATA SEQUENCE DYIKKMRETE EYKPRXXXXX XXIKPKLPEN FLSEKEIHKL AKKNDVAVIV DATA SEQUENCE ISRISGEGYD RKPVKGDFYL SDDETDLIKT VSREFHEQGK KVIVLLNIGS DATA SEQUENCE PVEVVSWRDL VDGILLVWQA GQETGRIVAD VLTGRINPSG KLPTTFPRDY DATA SEQUENCE SDVPSWTFPG EPKDNPQKVV YEEDIYVGYR YYDTFGVEPA YEFGYGLSYT DATA SEQUENCE TFEYSDLNVS FDGETLRVQY RIENTGGRAG KEVSQVYIKA PKGKIDKPFQ DATA SEQUENCE ELKAFHKTRL LNPGESEEVV LEIPVRDLAS FNGEEWVVEA GEYEVRVGAS DATA SEQUENCE SRNIKLKGTF SVGEERRFKP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.589 176.600 -0.018 0.000 1.382 2 E CA 0.000 56.384 56.400 -0.027 0.000 0.976 2 E CB 0.000 29.685 29.700 -0.025 0.000 0.812 3 K N 1.527 121.916 120.400 -0.018 0.000 2.057 3 K HA 0.003 4.255 4.320 -0.115 0.000 0.206 3 K C 2.134 178.722 176.600 -0.019 0.000 1.050 3 K CA 1.463 57.753 56.287 0.005 0.000 0.935 3 K CB 0.017 32.531 32.500 0.023 0.000 0.715 3 K HN -0.056 nan 8.250 nan 0.000 0.439 4 V N 2.518 122.390 119.914 -0.069 0.000 2.255 4 V HA -0.275 3.776 4.120 -0.115 0.000 0.247 4 V C 1.596 177.659 176.094 -0.052 0.000 1.051 4 V CA 1.952 64.198 62.300 -0.089 0.000 1.018 4 V CB -0.563 31.185 31.823 -0.124 0.000 0.641 4 V HN 0.343 nan 8.190 nan 0.000 0.445 5 N N -0.194 118.480 118.700 -0.044 0.000 2.453 5 N HA -0.142 4.529 4.740 -0.115 0.000 0.183 5 N C 1.720 177.221 175.510 -0.014 0.000 1.041 5 N CA 1.122 54.154 53.050 -0.030 0.000 0.900 5 N CB -0.297 38.173 38.487 -0.029 0.000 0.961 5 N HN 0.658 nan 8.380 nan 0.000 0.443 6 E N 1.413 121.609 120.200 -0.006 0.000 2.015 6 E HA -0.026 4.255 4.350 -0.115 0.000 0.191 6 E C 1.796 178.406 176.600 0.015 0.000 0.991 6 E CA 1.012 57.417 56.400 0.009 0.000 0.802 6 E CB -0.400 29.313 29.700 0.021 0.000 0.759 6 E HN 0.308 nan 8.360 nan 0.000 0.447 7 I N 0.350 120.935 120.570 0.024 0.000 2.163 7 I HA -0.242 3.859 4.170 -0.115 0.000 0.243 7 I C 2.415 178.541 176.117 0.015 0.000 1.085 7 I CA 0.815 62.136 61.300 0.035 0.000 1.347 7 I CB -0.474 37.558 38.000 0.053 0.000 1.044 7 I HN 0.208 nan 8.210 nan 0.000 0.408 8 L N 1.349 122.570 121.223 -0.002 0.000 2.013 8 L HA -0.252 4.019 4.340 -0.115 0.000 0.212 8 L C 2.809 179.676 176.870 -0.005 0.000 1.073 8 L CA 2.414 57.248 54.840 -0.010 0.000 0.753 8 L CB -0.795 41.251 42.059 -0.023 0.000 0.890 8 L HN 0.412 nan 8.230 nan 0.000 0.432 9 S N -2.202 113.496 115.700 -0.003 0.000 2.474 9 S HA -0.145 4.256 4.470 -0.115 0.000 0.235 9 S C 1.726 176.328 174.600 0.002 0.000 0.997 9 S CA 0.634 58.833 58.200 -0.002 0.000 0.949 9 S CB -0.328 62.871 63.200 -0.001 0.000 0.766 9 S HN 0.549 nan 8.310 nan 0.000 0.517 10 Q N 0.826 120.630 119.800 0.007 0.000 2.204 10 Q HA 0.344 4.615 4.340 -0.115 0.000 0.198 10 Q C 0.692 176.697 176.000 0.008 0.000 0.946 10 Q CA 0.172 55.981 55.803 0.010 0.000 0.859 10 Q CB -0.383 28.366 28.738 0.017 0.000 0.946 10 Q HN 0.559 nan 8.270 nan 0.000 0.474 11 L N 2.684 123.911 121.223 0.008 0.000 2.525 11 L HA 0.003 4.274 4.340 -0.115 0.000 0.278 11 L C 0.999 177.868 176.870 -0.001 0.000 1.218 11 L CA -0.064 54.779 54.840 0.005 0.000 0.878 11 L CB 0.099 42.160 42.059 0.004 0.000 1.127 11 L HN 0.138 nan 8.230 nan 0.000 0.492 12 T N -0.065 114.487 114.554 -0.003 0.000 2.788 12 T HA 0.130 4.411 4.350 -0.115 0.000 0.287 12 T C 0.989 175.683 174.700 -0.011 0.000 1.007 12 T CA -0.773 61.322 62.100 -0.007 0.000 1.005 12 T CB 1.078 69.941 68.868 -0.008 0.000 1.012 12 T HN 0.466 nan 8.240 nan 0.000 0.530 13 L N 0.474 121.689 121.223 -0.012 0.000 2.042 13 L HA -0.015 4.256 4.340 -0.115 0.000 0.210 13 L C 2.675 179.532 176.870 -0.021 0.000 1.076 13 L CA 2.052 56.883 54.840 -0.015 0.000 0.749 13 L CB -1.052 40.999 42.059 -0.013 0.000 0.893 13 L HN 0.969 nan 8.230 nan 0.000 0.432 14 E N -0.884 119.301 120.200 -0.025 0.000 2.152 14 E HA -0.213 4.068 4.350 -0.115 0.000 0.192 14 E C 1.926 178.496 176.600 -0.051 0.000 0.983 14 E CA 0.975 57.352 56.400 -0.038 0.000 0.818 14 E CB 0.053 29.730 29.700 -0.039 0.000 0.758 14 E HN 0.644 nan 8.360 nan 0.000 0.467 15 E N 0.405 120.583 120.200 -0.036 0.000 2.106 15 E HA -0.165 4.116 4.350 -0.115 0.000 0.192 15 E C 1.986 178.570 176.600 -0.026 0.000 0.984 15 E CA 0.940 57.321 56.400 -0.032 0.000 0.806 15 E CB 0.091 29.785 29.700 -0.010 0.000 0.750 15 E HN 0.133 nan 8.360 nan 0.000 0.458 16 K N 0.418 120.805 120.400 -0.021 0.000 2.097 16 K HA -0.119 4.133 4.320 -0.115 0.000 0.206 16 K C 2.148 178.733 176.600 -0.024 0.000 1.049 16 K CA 1.091 57.367 56.287 -0.018 0.000 0.933 16 K CB -0.039 32.451 32.500 -0.017 0.000 0.717 16 K HN -0.013 nan 8.250 nan 0.000 0.442 17 V N 1.797 121.691 119.914 -0.034 0.000 2.307 17 V HA -0.237 3.814 4.120 -0.115 0.000 0.245 17 V C 2.001 178.060 176.094 -0.058 0.000 1.045 17 V CA 1.651 63.928 62.300 -0.038 0.000 1.024 17 V CB -0.371 31.427 31.823 -0.041 0.000 0.651 17 V HN 0.278 nan 8.190 nan 0.000 0.449 18 K N -0.059 120.270 120.400 -0.119 0.000 2.074 18 K HA -0.181 4.070 4.320 -0.115 0.000 0.209 18 K C 2.091 178.689 176.600 -0.004 0.000 1.048 18 K CA 1.511 57.645 56.287 -0.255 0.000 0.926 18 K CB -0.388 31.885 32.500 -0.378 0.000 0.713 18 K HN 0.343 nan 8.250 nan 0.000 0.444 19 L N 0.864 122.101 121.223 0.024 0.000 2.191 19 L HA -0.132 4.139 4.340 -0.115 0.000 0.212 19 L C 2.104 179.000 176.870 0.044 0.000 1.103 19 L CA 0.836 55.716 54.840 0.068 0.000 0.769 19 L CB -0.337 41.739 42.059 0.028 0.000 0.908 19 L HN 0.143 nan 8.230 nan 0.000 0.438 20 V N -3.724 116.204 119.914 0.023 0.000 3.649 20 V HA 0.181 4.232 4.120 -0.115 0.000 0.275 20 V C 0.556 176.665 176.094 0.025 0.000 1.281 20 V CA -0.236 62.068 62.300 0.007 0.000 1.143 20 V CB -0.008 31.814 31.823 -0.002 0.000 0.892 20 V HN 0.004 nan 8.190 nan 0.000 0.441 21 V N 0.908 120.867 119.914 0.074 0.000 2.604 21 V HA 0.825 4.876 4.120 -0.115 0.000 0.305 21 V C 1.057 177.210 176.094 0.099 0.000 1.043 21 V CA -0.144 62.201 62.300 0.074 0.000 0.888 21 V CB 1.092 32.974 31.823 0.098 0.000 0.995 21 V HN 0.400 nan 8.190 nan 0.000 0.429 22 G N 1.405 110.171 108.800 -0.056 0.000 2.699 22 G HA2 0.325 4.216 3.960 -0.115 0.000 0.246 22 G HA3 0.325 4.216 3.960 -0.115 0.000 0.246 22 G C 0.831 175.602 174.900 -0.214 0.000 1.219 22 G CA 0.285 45.287 45.100 -0.163 0.000 0.866 22 G HN 1.339 nan 8.290 nan 0.000 0.572 23 V N -1.465 118.242 119.914 -0.345 0.000 3.514 23 V HA 0.586 4.637 4.120 -0.115 0.000 0.301 23 V C 1.065 177.076 176.094 -0.138 0.000 1.346 23 V CA 0.347 62.420 62.300 -0.380 0.000 1.156 23 V CB -1.210 30.356 31.823 -0.429 0.000 1.029 23 V HN 2.131 nan 8.190 nan 0.000 0.428 24 G N 0.311 109.032 108.800 -0.132 0.000 2.662 24 G HA2 -0.012 3.879 3.960 -0.115 0.000 0.686 24 G HA3 -0.012 3.879 3.960 -0.115 0.000 0.686 24 G C -1.024 173.863 174.900 -0.021 0.000 1.271 24 G CA -0.379 44.681 45.100 -0.067 0.000 0.816 24 G HN 0.762 nan 8.290 nan 0.000 0.608 25 L N 2.571 123.863 121.223 0.114 0.000 2.456 25 L HA 0.504 4.775 4.340 -0.115 0.000 0.277 25 L C -1.620 175.313 176.870 0.104 0.000 1.124 25 L CA -1.464 53.481 54.840 0.175 0.000 0.880 25 L CB 0.242 42.545 42.059 0.407 0.000 1.192 25 L HN 0.388 nan 8.230 nan 0.000 0.463 26 P HA 0.236 nan 4.420 nan 0.000 0.268 26 P C 0.689 177.940 177.300 -0.082 0.000 1.205 26 P CA 0.614 63.717 63.100 0.005 0.000 0.771 26 P CB 0.814 32.543 31.700 0.049 0.000 0.858 27 G N 1.484 110.138 108.800 -0.244 0.000 2.212 27 G HA2 -0.250 3.642 3.960 -0.115 0.000 0.266 27 G HA3 -0.250 3.642 3.960 -0.115 0.000 0.266 27 G C -0.114 174.560 174.900 -0.378 0.000 0.978 27 G CA -0.041 44.731 45.100 -0.547 0.000 0.632 27 G HN 0.463 nan 8.290 nan 0.000 0.537 28 L N -0.624 120.404 121.223 -0.325 0.000 2.322 28 L HA 0.765 5.036 4.340 -0.115 0.000 0.269 28 L C 1.459 178.032 176.870 -0.496 0.000 1.012 28 L CA -1.089 53.402 54.840 -0.583 0.000 0.815 28 L CB 0.852 42.330 42.059 -0.968 0.000 1.295 28 L HN 0.204 nan 8.230 nan 0.000 0.438 29 F N 0.034 119.975 119.950 -0.015 0.000 2.157 29 F HA -0.298 4.160 4.527 -0.115 0.000 0.312 29 F C 1.621 177.412 175.800 -0.015 0.000 0.144 29 F CA 1.093 59.088 58.000 -0.010 0.000 0.896 29 F CB -1.780 37.213 39.000 -0.011 0.000 4.054 29 F HN 0.597 nan 8.300 nan 0.000 0.189 30 G N 0.764 109.705 108.800 0.234 0.000 2.776 30 G HA2 -0.023 3.868 3.960 -0.115 0.000 0.209 30 G HA3 -0.023 3.868 3.960 -0.115 0.000 0.209 30 G C 0.252 175.194 174.900 0.070 0.000 1.145 30 G CA 0.439 45.610 45.100 0.119 0.000 0.791 30 G HN 0.477 nan 8.290 nan 0.000 0.530 31 N N 1.494 120.233 118.700 0.065 0.000 2.520 31 N HA 0.290 4.961 4.740 -0.115 0.000 0.273 31 N C -2.712 172.754 175.510 -0.073 0.000 1.155 31 N CA -1.299 51.761 53.050 0.018 0.000 0.967 31 N CB 1.339 39.857 38.487 0.052 0.000 1.092 31 N HN -0.009 nan 8.380 nan 0.000 0.457 32 P HA 0.086 nan 4.420 nan 0.000 0.275 32 P C -0.103 177.152 177.300 -0.075 0.000 1.228 32 P CA 0.016 63.085 63.100 -0.052 0.000 0.786 32 P CB 0.416 32.124 31.700 0.013 0.000 0.927 33 H N 0.153 119.223 119.070 0.000 0.000 2.972 33 H HA 0.041 4.528 4.556 -0.115 0.000 0.343 33 H C 0.996 176.323 175.328 -0.002 0.000 1.054 33 H CA 0.538 56.581 56.048 -0.008 0.000 1.412 33 H CB 0.453 30.200 29.762 -0.024 0.000 1.385 33 H HN 0.477 nan 8.280 nan 0.000 0.600 34 S N 2.744 118.517 115.700 0.121 0.000 2.584 34 S HA 0.003 4.404 4.470 -0.115 0.000 0.270 34 S C 1.471 176.111 174.600 0.067 0.000 1.346 34 S CA -0.539 57.707 58.200 0.077 0.000 1.018 34 S CB 0.901 64.141 63.200 0.068 0.000 0.899 34 S HN 0.777 nan 8.310 nan 0.000 0.542 35 R N 0.613 121.147 120.500 0.056 0.000 2.211 35 R HA -0.037 4.235 4.340 -0.115 0.000 0.240 35 R C -0.005 176.309 176.300 0.024 0.000 1.144 35 R CA 1.247 57.380 56.100 0.055 0.000 0.992 35 R CB -0.895 29.458 30.300 0.089 0.000 0.869 35 R HN 0.415 nan 8.270 nan 0.000 0.462 36 V N 2.114 122.030 119.914 0.004 0.000 2.192 36 V HA 0.376 4.427 4.120 -0.115 0.000 0.264 36 V C 0.323 176.375 176.094 -0.071 0.000 1.155 36 V CA -0.788 61.477 62.300 -0.059 0.000 1.005 36 V CB 0.431 32.226 31.823 -0.047 0.000 1.201 36 V HN 0.424 nan 8.190 nan 0.000 0.468 37 A N 2.650 125.398 122.820 -0.120 0.000 2.591 37 A HA 0.411 4.662 4.320 -0.115 0.000 0.244 37 A C 1.637 179.187 177.584 -0.057 0.000 1.031 37 A CA 1.212 53.200 52.037 -0.083 0.000 0.767 37 A CB -0.424 18.424 19.000 -0.252 0.000 0.942 37 A HN 1.941 nan 8.150 nan 0.000 0.514 38 G N 1.046 109.874 108.800 0.045 0.000 2.232 38 G HA2 0.186 4.077 3.960 -0.115 0.000 0.226 38 G HA3 0.186 4.077 3.960 -0.115 0.000 0.226 38 G C 0.708 175.644 174.900 0.060 0.000 0.996 38 G CA 0.442 45.571 45.100 0.047 0.000 0.626 38 G HN 2.321 nan 8.290 nan 0.000 0.509 39 A N 0.549 123.403 122.820 0.056 0.000 2.555 39 A HA 0.657 4.908 4.320 -0.115 0.000 0.233 39 A C 1.831 179.496 177.584 0.136 0.000 1.060 39 A CA 1.212 53.298 52.037 0.081 0.000 0.759 39 A CB 0.287 19.335 19.000 0.080 0.000 0.995 39 A HN 1.849 nan 8.150 nan 0.000 0.506 40 A N 1.784 124.704 122.820 0.167 0.000 1.968 40 A HA 0.454 4.705 4.320 -0.115 0.000 0.217 40 A C 1.251 179.158 177.584 0.538 0.000 1.169 40 A CA 1.726 53.940 52.037 0.296 0.000 0.638 40 A CB -0.447 18.599 19.000 0.075 0.000 0.812 40 A HN 2.275 nan 8.150 nan 0.000 0.446 41 G N -1.798 107.231 108.800 0.383 0.000 2.506 41 G HA2 0.528 4.419 3.960 -0.115 0.000 0.292 41 G HA3 0.528 4.419 3.960 -0.115 0.000 0.292 41 G C -1.661 173.328 174.900 0.149 0.000 1.425 41 G CA -0.607 44.633 45.100 0.233 0.000 0.788 41 G HN 0.139 nan 8.290 nan 0.000 0.490 42 E N -0.709 119.523 120.200 0.053 0.000 2.393 42 E HA 0.594 4.875 4.350 -0.115 0.000 0.273 42 E C -0.414 176.179 176.600 -0.012 0.000 0.918 42 E CA -0.860 55.571 56.400 0.051 0.000 0.773 42 E CB 2.482 32.195 29.700 0.022 0.000 1.275 42 E HN 0.684 nan 8.360 nan 0.000 0.451 43 T N -1.579 113.009 114.554 0.057 0.000 2.902 43 T HA 0.326 4.607 4.350 -0.115 0.000 0.280 43 T C -0.059 174.627 174.700 -0.023 0.000 0.992 43 T CA -0.652 61.475 62.100 0.044 0.000 1.015 43 T CB 0.538 69.529 68.868 0.205 0.000 1.044 43 T HN 0.358 nan 8.240 nan 0.000 0.520 44 H N 2.138 121.241 119.070 0.054 0.000 2.848 44 H HA 0.335 4.822 4.556 -0.115 0.000 0.317 44 H C -2.072 173.278 175.328 0.037 0.000 1.046 44 H CA -0.849 55.221 56.048 0.037 0.000 1.470 44 H CB 0.230 30.008 29.762 0.027 0.000 1.483 44 H HN 0.472 nan 8.280 nan 0.000 0.548 45 P HA 0.051 nan 4.420 nan 0.000 0.274 45 P C -0.713 176.632 177.300 0.074 0.000 1.231 45 P CA -0.364 62.770 63.100 0.057 0.000 0.790 45 P CB 1.036 32.747 31.700 0.019 0.000 0.951 46 V N 3.154 123.098 119.914 0.051 0.000 2.384 46 V HA 0.141 4.193 4.120 -0.115 0.000 0.257 46 V C -1.711 174.399 176.094 0.026 0.000 0.969 46 V CA -1.155 61.171 62.300 0.043 0.000 0.910 46 V CB 0.853 32.706 31.823 0.051 0.000 1.150 46 V HN 0.426 nan 8.190 nan 0.000 0.481 47 P HA -0.219 nan 4.420 nan 0.000 0.218 47 P C 1.837 179.138 177.300 0.001 0.000 1.152 47 P CA 1.629 64.728 63.100 -0.002 0.000 0.857 47 P CB 0.194 31.894 31.700 -0.001 0.000 0.787 48 R N -0.493 120.012 120.500 0.008 0.000 2.249 48 R HA -0.182 4.089 4.340 -0.115 0.000 0.229 48 R C 1.783 178.089 176.300 0.012 0.000 1.104 48 R CA 2.498 58.604 56.100 0.009 0.000 0.876 48 R CB -1.728 28.580 30.300 0.012 0.000 0.871 48 R HN 0.180 nan 8.270 nan 0.000 0.426 49 V N -1.732 118.197 119.914 0.025 0.000 3.602 49 V HA 0.292 4.343 4.120 -0.115 0.000 0.289 49 V C 0.777 176.896 176.094 0.042 0.000 1.265 49 V CA 0.464 62.786 62.300 0.037 0.000 1.202 49 V CB -0.415 31.439 31.823 0.053 0.000 1.012 49 V HN 0.686 nan 8.190 nan 0.000 0.431 50 G N 0.608 109.415 108.800 0.011 0.000 2.272 50 G HA2 -0.233 3.658 3.960 -0.115 0.000 0.280 50 G HA3 -0.233 3.658 3.960 -0.115 0.000 0.280 50 G C -0.296 174.599 174.900 -0.009 0.000 1.067 50 G CA 0.436 45.517 45.100 -0.031 0.000 0.902 50 G HN 0.596 nan 8.290 nan 0.000 0.500 51 L N 1.365 122.612 121.223 0.040 0.000 2.272 51 L HA 0.487 4.758 4.340 -0.115 0.000 0.289 51 L C -1.665 175.179 176.870 -0.044 0.000 1.032 51 L CA -2.180 52.707 54.840 0.079 0.000 0.810 51 L CB 2.011 44.159 42.059 0.148 0.000 1.205 51 L HN 0.057 nan 8.230 nan 0.000 0.422 52 P HA 0.252 nan 4.420 nan 0.000 0.281 52 P C -1.054 176.006 177.300 -0.400 0.000 1.264 52 P CA -0.703 62.227 63.100 -0.285 0.000 0.824 52 P CB 1.242 32.734 31.700 -0.346 0.000 1.092 53 A N 1.897 124.582 122.820 -0.225 0.000 2.451 53 A HA 0.362 4.614 4.320 -0.115 0.000 0.266 53 A C -0.301 177.170 177.584 -0.189 0.000 1.119 53 A CA -0.100 51.855 52.037 -0.135 0.000 0.786 53 A CB -1.130 17.846 19.000 -0.039 0.000 1.061 53 A HN 0.373 nan 8.150 nan 0.000 0.503 54 F N 1.890 121.891 119.950 0.086 0.000 2.384 54 F HA 0.435 4.893 4.527 -0.114 0.000 0.338 54 F C 0.434 176.297 175.800 0.105 0.000 1.103 54 F CA -0.230 57.838 58.000 0.112 0.000 1.157 54 F CB 1.607 40.677 39.000 0.117 0.000 1.167 54 F HN 0.280 nan 8.300 nan 0.000 0.529 55 V N 4.909 125.007 119.914 0.306 0.000 2.459 55 V HA 0.386 4.437 4.120 -0.115 0.000 0.295 55 V C -0.327 175.897 176.094 0.217 0.000 1.029 55 V CA -0.793 61.629 62.300 0.204 0.000 0.874 55 V CB 1.521 33.420 31.823 0.126 0.000 0.985 55 V HN 0.412 nan 8.190 nan 0.000 0.438 56 L N 4.017 125.370 121.223 0.216 0.000 2.329 56 L HA 0.928 5.200 4.340 -0.115 0.000 0.279 56 L C 0.076 177.047 176.870 0.169 0.000 1.014 56 L CA -0.256 54.718 54.840 0.224 0.000 0.814 56 L CB 1.494 43.754 42.059 0.334 0.000 1.257 56 L HN 0.829 nan 8.230 nan 0.000 0.424 57 A N 2.089 124.969 122.820 0.100 0.000 2.549 57 A HA 0.611 4.862 4.320 -0.115 0.000 0.297 57 A C -0.793 176.786 177.584 -0.007 0.000 1.061 57 A CA -0.705 51.361 52.037 0.047 0.000 0.690 57 A CB 1.419 20.447 19.000 0.046 0.000 1.287 57 A HN 0.653 nan 8.150 nan 0.000 0.402 58 D N -0.047 120.323 120.400 -0.049 0.000 2.363 58 D HA 0.538 5.109 4.640 -0.115 0.000 0.240 58 D C 0.561 176.847 176.300 -0.022 0.000 1.236 58 D CA 1.276 55.236 54.000 -0.067 0.000 0.927 58 D CB 1.434 42.179 40.800 -0.091 0.000 1.150 58 D HN 0.939 nan 8.370 nan 0.000 0.458 59 G N -0.854 107.934 108.800 -0.020 0.000 2.548 59 G HA2 0.302 4.193 3.960 -0.115 0.000 0.301 59 G HA3 0.302 4.193 3.960 -0.115 0.000 0.301 59 G C -2.432 172.432 174.900 -0.060 0.000 1.349 59 G CA -0.714 44.354 45.100 -0.054 0.000 0.792 59 G HN 0.108 nan 8.290 nan 0.000 0.481 60 P HA -0.015 nan 4.420 nan 0.000 0.218 60 P C 1.516 178.713 177.300 -0.171 0.000 1.146 60 P CA 2.121 65.084 63.100 -0.228 0.000 0.813 60 P CB 0.263 31.783 31.700 -0.301 0.000 0.778 61 A N -1.551 121.242 122.820 -0.046 0.000 2.308 61 A HA 0.554 4.805 4.320 -0.115 0.000 0.217 61 A C 0.923 178.611 177.584 0.174 0.000 1.216 61 A CA 0.619 52.690 52.037 0.055 0.000 0.864 61 A CB -0.422 18.633 19.000 0.092 0.000 0.902 61 A HN 0.295 nan 8.150 nan 0.000 0.499 62 G N -1.241 107.637 108.800 0.130 0.000 2.317 62 G HA2 0.338 4.230 3.960 -0.115 0.000 0.445 62 G HA3 0.338 4.230 3.960 -0.115 0.000 0.445 62 G C -0.898 174.074 174.900 0.119 0.000 1.486 62 G CA -0.583 44.654 45.100 0.228 0.000 0.991 62 G HN 0.868 nan 8.290 nan 0.000 0.660 63 L N 0.886 122.193 121.223 0.140 0.000 2.628 63 L HA 0.423 4.694 4.340 -0.115 0.000 0.274 63 L C 1.045 177.944 176.870 0.048 0.000 1.209 63 L CA 0.473 55.369 54.840 0.093 0.000 0.930 63 L CB 0.186 42.329 42.059 0.140 0.000 1.183 63 L HN 0.620 nan 8.230 nan 0.000 0.492 64 R N 7.377 127.884 120.500 0.012 0.000 2.233 64 R HA 0.562 4.833 4.340 -0.115 0.000 0.334 64 R C -0.840 175.473 176.300 0.021 0.000 1.037 64 R CA -0.377 55.715 56.100 -0.012 0.000 0.920 64 R CB 0.078 30.351 30.300 -0.046 0.000 1.137 64 R HN 0.828 nan 8.270 nan 0.000 0.492 65 I N -0.195 120.392 120.570 0.029 0.000 3.174 65 I HA 0.496 4.598 4.170 -0.115 0.000 0.313 65 I C -0.957 175.176 176.117 0.026 0.000 1.155 65 I CA -1.556 59.740 61.300 -0.007 0.000 0.977 65 I CB 2.038 39.963 38.000 -0.125 0.000 1.248 65 I HN 0.253 nan 8.210 nan 0.000 0.453 66 N N 3.584 122.254 118.700 -0.050 0.000 2.468 66 N HA 0.193 4.864 4.740 -0.115 0.000 0.265 66 N C -1.962 173.473 175.510 -0.125 0.000 1.199 66 N CA -1.560 51.437 53.050 -0.088 0.000 0.928 66 N CB 0.667 39.076 38.487 -0.129 0.000 1.059 66 N HN 0.472 nan 8.380 nan 0.000 0.467 67 P HA -0.086 nan 4.420 nan 0.000 0.215 67 P C 0.479 177.684 177.300 -0.159 0.000 1.157 67 P CA 1.417 64.344 63.100 -0.288 0.000 0.863 67 P CB 0.122 31.567 31.700 -0.425 0.000 0.787 68 T N -2.319 112.168 114.554 -0.112 0.000 2.943 68 T HA 0.600 4.881 4.350 -0.115 0.000 0.284 68 T C -0.195 174.482 174.700 -0.038 0.000 1.015 68 T CA -0.892 61.196 62.100 -0.021 0.000 1.042 68 T CB 1.677 70.520 68.868 -0.042 0.000 1.055 68 T HN -0.152 nan 8.240 nan 0.000 0.500 69 R N 1.049 121.554 120.500 0.008 0.000 2.628 69 R HA 0.360 4.631 4.340 -0.115 0.000 0.288 69 R C -0.597 175.670 176.300 -0.054 0.000 0.980 69 R CA -0.822 55.224 56.100 -0.090 0.000 0.891 69 R CB 2.010 32.232 30.300 -0.130 0.000 1.188 69 R HN 0.738 nan 8.270 nan 0.000 0.450 70 E N 1.514 121.653 120.200 -0.101 0.000 2.452 70 E HA -0.082 4.199 4.350 -0.115 0.000 0.261 70 E C -0.414 176.171 176.600 -0.025 0.000 0.987 70 E CA 0.385 56.752 56.400 -0.055 0.000 0.926 70 E CB 0.137 29.801 29.700 -0.061 0.000 0.934 70 E HN 0.533 nan 8.360 nan 0.000 0.452 71 N N 1.768 120.465 118.700 -0.004 0.000 2.740 71 N HA -0.192 4.479 4.740 -0.115 0.000 0.248 71 N C -1.359 174.163 175.510 0.021 0.000 1.062 71 N CA 0.482 53.537 53.050 0.008 0.000 0.704 71 N CB -0.398 38.094 38.487 0.007 0.000 0.968 71 N HN 0.410 nan 8.380 nan 0.000 0.547 72 D N -0.477 119.942 120.400 0.031 0.000 2.936 72 D HA 0.207 4.778 4.640 -0.115 0.000 0.238 72 D C 0.359 176.689 176.300 0.051 0.000 1.248 72 D CA -0.429 53.608 54.000 0.062 0.000 0.903 72 D CB 1.667 42.538 40.800 0.117 0.000 1.544 72 D HN 0.102 nan 8.370 nan 0.000 0.543 73 E N 1.986 122.209 120.200 0.038 0.000 2.371 73 E HA 0.051 4.333 4.350 -0.115 0.000 0.194 73 E C 0.234 176.829 176.600 -0.007 0.000 1.012 73 E CA 0.336 56.746 56.400 0.017 0.000 0.860 73 E CB 0.194 29.901 29.700 0.011 0.000 0.811 73 E HN 0.301 nan 8.360 nan 0.000 0.502 74 N N -0.496 118.194 118.700 -0.017 0.000 2.408 74 N HA 0.164 4.835 4.740 -0.115 0.000 0.260 74 N C -0.724 174.599 175.510 -0.311 0.000 1.242 74 N CA 0.204 53.158 53.050 -0.161 0.000 0.959 74 N CB 1.311 39.672 38.487 -0.210 0.000 1.201 74 N HN -0.070 nan 8.380 nan 0.000 0.511 75 T N 0.708 114.948 114.554 -0.522 0.000 2.908 75 T HA 0.520 4.801 4.350 -0.115 0.000 0.290 75 T C -0.948 173.277 174.700 -0.792 0.000 1.034 75 T CA -0.233 61.572 62.100 -0.490 0.000 1.010 75 T CB 0.490 69.270 68.868 -0.147 0.000 1.068 75 T HN 0.342 nan 8.240 nan 0.000 0.481 76 Y N 1.075 121.234 120.300 -0.235 0.000 2.685 76 Y HA 0.366 4.847 4.550 -0.115 0.000 0.284 76 Y C -0.467 175.240 175.900 -0.322 0.000 0.944 76 Y CA -1.020 56.936 58.100 -0.240 0.000 1.107 76 Y CB -0.157 38.089 38.460 -0.357 0.000 1.188 76 Y HN 0.584 nan 8.280 nan 0.000 0.635 77 Y N 0.314 120.672 120.300 0.097 0.000 2.357 77 Y HA 0.406 4.887 4.550 -0.115 0.000 0.340 77 Y C 1.032 177.006 175.900 0.124 0.000 1.260 77 Y CA 0.284 58.433 58.100 0.082 0.000 1.425 77 Y CB 0.999 39.502 38.460 0.072 0.000 1.326 77 Y HN 0.054 nan 8.280 nan 0.000 0.580 78 T N 0.584 115.305 114.554 0.278 0.000 2.916 78 T HA 0.262 4.543 4.350 -0.115 0.000 0.292 78 T C -0.701 174.080 174.700 0.136 0.000 1.055 78 T CA -0.952 61.285 62.100 0.229 0.000 1.009 78 T CB 1.234 70.200 68.868 0.163 0.000 1.118 78 T HN 0.459 nan 8.240 nan 0.000 0.497 79 T N 2.661 117.297 114.554 0.137 0.000 2.779 79 T HA 0.458 4.739 4.350 -0.115 0.000 0.296 79 T C 0.219 174.869 174.700 -0.083 0.000 0.938 79 T CA -0.502 61.554 62.100 -0.073 0.000 1.119 79 T CB 0.393 69.144 68.868 -0.195 0.000 0.891 79 T HN 0.678 nan 8.240 nan 0.000 0.526 80 A N 4.644 127.364 122.820 -0.167 0.000 2.391 80 A HA 0.611 4.862 4.320 -0.115 0.000 0.316 80 A C -0.123 177.399 177.584 -0.103 0.000 1.381 80 A CA -0.665 51.338 52.037 -0.058 0.000 0.998 80 A CB -0.398 18.561 19.000 -0.067 0.000 1.147 80 A HN 0.746 nan 8.150 nan 0.000 0.545 81 F N 2.687 122.649 119.950 0.019 0.000 2.378 81 F HA 0.383 4.842 4.527 -0.114 0.000 0.319 81 F C -1.608 174.205 175.800 0.022 0.000 1.155 81 F CA -1.863 56.155 58.000 0.030 0.000 1.157 81 F CB 0.360 39.383 39.000 0.039 0.000 1.252 81 F HN 0.361 nan 8.300 nan 0.000 0.550 82 P HA -0.008 nan 4.420 nan 0.000 0.269 82 P C -0.773 176.594 177.300 0.112 0.000 1.211 82 P CA -0.246 62.936 63.100 0.137 0.000 0.781 82 P CB 0.197 31.971 31.700 0.124 0.000 0.877 83 V N -0.164 119.800 119.914 0.082 0.000 3.051 83 V HA 0.061 4.113 4.120 -0.115 0.000 0.306 83 V C 1.398 177.448 176.094 -0.073 0.000 1.083 83 V CA 0.015 62.354 62.300 0.064 0.000 1.104 83 V CB -0.035 31.912 31.823 0.206 0.000 1.027 83 V HN 0.542 nan 8.190 nan 0.000 0.483 84 E N 1.470 121.566 120.200 -0.174 0.000 2.130 84 E HA -0.218 4.063 4.350 -0.115 0.000 0.196 84 E C 1.779 178.251 176.600 -0.213 0.000 0.998 84 E CA 1.855 58.091 56.400 -0.274 0.000 0.806 84 E CB -0.101 29.255 29.700 -0.573 0.000 0.738 84 E HN 0.835 nan 8.360 nan 0.000 0.459 85 I N 0.610 121.014 120.570 -0.278 0.000 2.454 85 I HA -0.260 3.841 4.170 -0.115 0.000 0.254 85 I C 2.387 178.092 176.117 -0.687 0.000 1.156 85 I CA 0.810 61.864 61.300 -0.410 0.000 1.433 85 I CB 0.079 37.754 38.000 -0.543 0.000 1.082 85 I HN 0.164 nan 8.210 nan 0.000 0.432 86 M N -0.012 119.218 119.600 -0.617 0.000 2.248 86 M HA -0.112 4.299 4.480 -0.115 0.000 0.265 86 M C 2.044 178.274 176.300 -0.116 0.000 1.079 86 M CA 1.455 56.478 55.300 -0.461 0.000 1.150 86 M CB 0.049 32.552 32.600 -0.161 0.000 1.366 86 M HN 0.177 nan 8.290 nan 0.000 0.433 87 L N 0.367 121.548 121.223 -0.069 0.000 2.013 87 L HA -0.203 4.068 4.340 -0.115 0.000 0.212 87 L C 2.757 179.616 176.870 -0.019 0.000 1.073 87 L CA 1.462 56.304 54.840 0.003 0.000 0.753 87 L CB -1.202 40.876 42.059 0.032 0.000 0.890 87 L HN 0.415 nan 8.230 nan 0.000 0.432 88 A N -0.627 122.174 122.820 -0.033 0.000 1.933 88 A HA -0.179 4.072 4.320 -0.115 0.000 0.218 88 A C 2.436 179.909 177.584 -0.184 0.000 1.175 88 A CA 1.937 53.882 52.037 -0.153 0.000 0.628 88 A CB -0.564 18.384 19.000 -0.087 0.000 0.814 88 A HN 0.399 nan 8.150 nan 0.000 0.444 89 S N -0.203 115.492 115.700 -0.008 0.000 2.469 89 S HA -0.131 4.270 4.470 -0.115 0.000 0.238 89 S C 2.051 176.842 174.600 0.318 0.000 0.998 89 S CA 1.625 59.969 58.200 0.240 0.000 0.957 89 S CB -0.626 62.802 63.200 0.381 0.000 0.764 89 S HN 0.923 nan 8.310 nan 0.000 0.514 90 T N -2.523 112.132 114.554 0.169 0.000 2.951 90 T HA -0.164 4.117 4.350 -0.115 0.000 0.268 90 T C 0.557 175.417 174.700 0.267 0.000 1.073 90 T CA 0.761 62.959 62.100 0.163 0.000 1.134 90 T CB -0.715 68.205 68.868 0.088 0.000 0.884 90 T HN 0.490 nan 8.240 nan 0.000 0.479 91 W N 1.605 122.845 121.300 -0.100 0.000 5.271 91 W HA -0.141 4.450 4.660 -0.116 0.000 0.364 91 W C -0.063 176.483 176.519 0.045 0.000 1.342 91 W CA 0.339 57.605 57.345 -0.132 0.000 0.899 91 W CB -2.523 26.828 29.460 -0.181 0.000 2.450 91 W HN 0.386 nan 8.180 nan 0.000 1.508 92 N N 0.439 119.238 118.700 0.164 0.000 2.569 92 N HA 0.298 4.970 4.740 -0.115 0.000 0.254 92 N C 1.231 176.776 175.510 0.059 0.000 1.004 92 N CA -0.468 52.647 53.050 0.109 0.000 0.904 92 N CB 0.590 39.115 38.487 0.062 0.000 1.165 92 N HN 0.162 nan 8.380 nan 0.000 0.513 93 R N 1.589 122.125 120.500 0.060 0.000 2.083 93 R HA -0.160 4.112 4.340 -0.115 0.000 0.237 93 R C 1.395 177.682 176.300 -0.022 0.000 1.137 93 R CA 1.476 57.575 56.100 -0.001 0.000 0.951 93 R CB -0.014 30.259 30.300 -0.046 0.000 0.851 93 R HN 0.648 nan 8.270 nan 0.000 0.434 94 E N 0.798 120.981 120.200 -0.029 0.000 2.070 94 E HA -0.240 4.041 4.350 -0.115 0.000 0.197 94 E C 1.947 178.542 176.600 -0.008 0.000 1.004 94 E CA 1.223 57.606 56.400 -0.028 0.000 0.805 94 E CB -0.029 29.651 29.700 -0.034 0.000 0.744 94 E HN 0.107 nan 8.360 nan 0.000 0.451 95 L N 0.912 122.141 121.223 0.009 0.000 2.046 95 L HA -0.173 4.098 4.340 -0.115 0.000 0.208 95 L C 2.209 179.100 176.870 0.035 0.000 1.077 95 L CA 1.429 56.288 54.840 0.032 0.000 0.747 95 L CB -0.569 41.518 42.059 0.046 0.000 0.896 95 L HN 0.279 nan 8.230 nan 0.000 0.432 96 L N -0.396 120.843 121.223 0.026 0.000 2.083 96 L HA -0.235 4.036 4.340 -0.115 0.000 0.209 96 L C 2.537 179.429 176.870 0.037 0.000 1.083 96 L CA 1.880 56.750 54.840 0.051 0.000 0.752 96 L CB -0.967 41.102 42.059 0.017 0.000 0.899 96 L HN 0.519 nan 8.230 nan 0.000 0.433 97 E N -0.462 119.727 120.200 -0.018 0.000 2.077 97 E HA -0.224 4.057 4.350 -0.115 0.000 0.193 97 E C 1.934 178.484 176.600 -0.084 0.000 0.989 97 E CA 0.978 57.335 56.400 -0.072 0.000 0.800 97 E CB 0.279 29.937 29.700 -0.069 0.000 0.746 97 E HN 0.338 nan 8.360 nan 0.000 0.452 98 E N 0.148 120.327 120.200 -0.035 0.000 2.085 98 E HA -0.167 4.114 4.350 -0.115 0.000 0.194 98 E C 2.255 178.836 176.600 -0.031 0.000 0.994 98 E CA 0.947 57.338 56.400 -0.016 0.000 0.801 98 E CB -0.319 29.402 29.700 0.034 0.000 0.743 98 E HN 0.198 nan 8.360 nan 0.000 0.453 99 V N 0.850 120.753 119.914 -0.018 0.000 2.407 99 V HA -0.206 3.845 4.120 -0.115 0.000 0.248 99 V C 2.385 178.322 176.094 -0.261 0.000 1.055 99 V CA 1.950 64.187 62.300 -0.105 0.000 1.049 99 V CB -1.055 30.730 31.823 -0.062 0.000 0.662 99 V HN 0.333 nan 8.190 nan 0.000 0.455 100 G N -0.225 108.409 108.800 -0.278 0.000 2.408 100 G HA2 -0.213 3.678 3.960 -0.115 0.000 0.217 100 G HA3 -0.213 3.678 3.960 -0.115 0.000 0.217 100 G C 1.658 176.279 174.900 -0.464 0.000 1.150 100 G CA 0.712 45.411 45.100 -0.668 0.000 0.776 100 G HN 0.492 nan 8.290 nan 0.000 0.542 101 K N 0.608 120.835 120.400 -0.288 0.000 2.057 101 K HA 0.105 4.356 4.320 -0.115 0.000 0.206 101 K C 2.963 179.434 176.600 -0.216 0.000 1.050 101 K CA 0.934 57.097 56.287 -0.208 0.000 0.935 101 K CB -0.213 32.216 32.500 -0.117 0.000 0.715 101 K HN 0.249 nan 8.250 nan 0.000 0.439 102 A N 1.620 124.296 122.820 -0.240 0.000 1.858 102 A HA -0.171 4.080 4.320 -0.115 0.000 0.216 102 A C 2.203 179.518 177.584 -0.448 0.000 1.190 102 A CA 1.567 53.316 52.037 -0.480 0.000 0.617 102 A CB -0.512 18.374 19.000 -0.190 0.000 0.827 102 A HN 0.171 nan 8.150 nan 0.000 0.443 103 M N -0.663 118.767 119.600 -0.283 0.000 2.117 103 M HA -0.130 4.281 4.480 -0.115 0.000 0.262 103 M C 2.327 178.545 176.300 -0.136 0.000 1.065 103 M CA 1.448 56.653 55.300 -0.158 0.000 1.114 103 M CB -0.692 31.781 32.600 -0.212 0.000 1.361 103 M HN 0.551 nan 8.290 nan 0.000 0.408 104 G N -0.039 108.627 108.800 -0.223 0.000 2.446 104 G HA2 -0.273 3.618 3.960 -0.115 0.000 0.217 104 G HA3 -0.273 3.618 3.960 -0.115 0.000 0.217 104 G C 1.312 176.152 174.900 -0.101 0.000 1.168 104 G CA 1.212 46.195 45.100 -0.194 0.000 0.771 104 G HN 0.566 nan 8.290 nan 0.000 0.551 105 E N 0.342 120.497 120.200 -0.074 0.000 2.051 105 E HA -0.167 4.114 4.350 -0.115 0.000 0.192 105 E C 2.316 178.970 176.600 0.089 0.000 0.991 105 E CA 1.296 57.717 56.400 0.035 0.000 0.799 105 E CB -0.168 29.619 29.700 0.144 0.000 0.748 105 E HN 0.602 nan 8.360 nan 0.000 0.449 106 E N -0.180 120.097 120.200 0.129 0.000 2.058 106 E HA -0.194 4.087 4.350 -0.115 0.000 0.194 106 E C 2.189 178.906 176.600 0.194 0.000 0.997 106 E CA 1.506 58.028 56.400 0.203 0.000 0.801 106 E CB 0.041 29.934 29.700 0.321 0.000 0.746 106 E HN 0.137 nan 8.360 nan 0.000 0.450 107 V N 1.036 121.023 119.914 0.122 0.000 2.287 107 V HA -0.314 3.737 4.120 -0.115 0.000 0.248 107 V C 2.438 178.570 176.094 0.063 0.000 1.053 107 V CA 2.151 64.505 62.300 0.090 0.000 1.027 107 V CB -0.509 31.315 31.823 0.000 0.000 0.646 107 V HN 0.245 nan 8.190 nan 0.000 0.447 108 R N -0.069 120.449 120.500 0.030 0.000 2.070 108 R HA -0.165 4.106 4.340 -0.115 0.000 0.233 108 R C 2.231 178.613 176.300 0.136 0.000 1.137 108 R CA 1.684 57.809 56.100 0.042 0.000 0.945 108 R CB -0.187 30.106 30.300 -0.011 0.000 0.845 108 R HN 0.455 nan 8.270 nan 0.000 0.430 109 E N -0.296 119.967 120.200 0.106 0.000 2.347 109 E HA -0.150 4.132 4.350 -0.115 0.000 0.196 109 E C 0.953 177.556 176.600 0.005 0.000 1.008 109 E CA 0.815 57.277 56.400 0.103 0.000 0.852 109 E CB 0.035 29.718 29.700 -0.029 0.000 0.783 109 E HN 0.477 nan 8.360 nan 0.000 0.505 110 Y N -0.068 120.269 120.300 0.061 0.000 2.468 110 Y HA 0.276 4.757 4.550 -0.115 0.000 0.268 110 Y C 1.524 177.122 175.900 -0.504 0.000 1.177 110 Y CA 0.252 58.328 58.100 -0.040 0.000 1.265 110 Y CB 0.521 39.011 38.460 0.049 0.000 1.103 110 Y HN 0.097 nan 8.280 nan 0.000 0.522 111 G N 0.149 108.530 108.800 -0.698 0.000 2.137 111 G HA2 -0.238 3.653 3.960 -0.115 0.000 0.237 111 G HA3 -0.238 3.653 3.960 -0.115 0.000 0.237 111 G C -0.255 174.466 174.900 -0.298 0.000 1.002 111 G CA 0.185 44.618 45.100 -1.111 0.000 0.702 111 G HN 0.112 nan 8.290 nan 0.000 0.515 112 V N 0.588 120.446 119.914 -0.093 0.000 2.567 112 V HA 0.404 4.455 4.120 -0.115 0.000 0.289 112 V C 0.912 177.053 176.094 0.078 0.000 1.049 112 V CA -0.024 62.291 62.300 0.025 0.000 0.969 112 V CB 1.690 33.541 31.823 0.046 0.000 0.995 112 V HN 0.242 nan 8.190 nan 0.000 0.471 113 D N 1.998 122.492 120.400 0.156 0.000 2.323 113 D HA 0.116 4.687 4.640 -0.115 0.000 0.218 113 D C 0.017 176.409 176.300 0.154 0.000 0.973 113 D CA 1.034 55.175 54.000 0.235 0.000 0.890 113 D CB 1.160 42.219 40.800 0.433 0.000 1.011 113 D HN 0.330 nan 8.370 nan 0.000 0.499 114 V N 2.199 122.199 119.914 0.143 0.000 2.525 114 V HA 0.222 4.273 4.120 -0.115 0.000 0.299 114 V C -0.630 175.488 176.094 0.041 0.000 1.034 114 V CA -0.934 61.414 62.300 0.080 0.000 0.863 114 V CB 2.524 34.478 31.823 0.219 0.000 0.999 114 V HN -0.036 nan 8.190 nan 0.000 0.423 115 L N 6.214 127.414 121.223 -0.039 0.000 2.305 115 L HA 0.497 4.768 4.340 -0.115 0.000 0.281 115 L C -0.084 176.782 176.870 -0.007 0.000 1.085 115 L CA 0.236 55.066 54.840 -0.018 0.000 0.813 115 L CB 0.877 42.912 42.059 -0.040 0.000 1.157 115 L HN 0.597 nan 8.230 nan 0.000 0.436 116 L N 6.916 128.132 121.223 -0.012 0.000 2.399 116 L HA 0.621 4.892 4.340 -0.115 0.000 0.257 116 L C 0.093 176.928 176.870 -0.059 0.000 1.236 116 L CA -0.021 54.793 54.840 -0.044 0.000 1.144 116 L CB -0.865 41.130 42.059 -0.106 0.000 1.379 116 L HN 0.852 nan 8.230 nan 0.000 0.414 117 A N 3.550 126.358 122.820 -0.020 0.000 2.583 117 A HA 0.760 5.011 4.320 -0.115 0.000 0.292 117 A C -2.976 174.669 177.584 0.102 0.000 1.045 117 A CA -0.897 51.118 52.037 -0.036 0.000 0.672 117 A CB 1.701 20.688 19.000 -0.021 0.000 1.283 117 A HN 0.146 nan 8.150 nan 0.000 0.419 118 P HA 0.570 nan 4.420 nan 0.000 0.282 118 P C -0.327 176.807 177.300 -0.277 0.000 1.259 118 P CA -0.158 62.752 63.100 -0.317 0.000 0.826 118 P CB 1.666 33.140 31.700 -0.377 0.000 1.064 119 A N 3.039 125.645 122.820 -0.356 0.000 2.331 119 A HA 0.571 4.823 4.320 -0.115 0.000 0.283 119 A C 0.787 178.182 177.584 -0.314 0.000 1.142 119 A CA -0.502 51.373 52.037 -0.270 0.000 0.812 119 A CB -0.353 18.594 19.000 -0.089 0.000 1.074 119 A HN 0.716 nan 8.150 nan 0.000 0.497 120 M N 0.877 120.281 119.600 -0.326 0.000 3.615 120 M HA 0.305 4.716 4.480 -0.115 0.000 0.484 120 M C -0.734 175.282 176.300 -0.473 0.000 1.686 120 M CA -0.448 54.607 55.300 -0.408 0.000 0.713 120 M CB -0.675 31.674 32.600 -0.418 0.000 1.471 120 M HN 0.545 nan 8.290 nan 0.000 0.538 121 N N 1.659 119.970 118.700 -0.648 0.000 2.416 121 N HA 0.257 4.928 4.740 -0.115 0.000 0.246 121 N C -0.307 174.975 175.510 -0.381 0.000 1.260 121 N CA 0.017 52.759 53.050 -0.513 0.000 0.897 121 N CB 0.827 38.810 38.487 -0.840 0.000 1.110 121 N HN 0.257 nan 8.380 nan 0.000 0.439 122 I N 1.641 122.199 120.570 -0.020 0.000 2.634 122 I HA -0.057 4.044 4.170 -0.115 0.000 0.284 122 I C 0.618 176.846 176.117 0.185 0.000 1.124 122 I CA 0.125 61.447 61.300 0.038 0.000 1.417 122 I CB 0.147 38.203 38.000 0.093 0.000 1.396 122 I HN 0.511 nan 8.210 nan 0.000 0.571 123 H N 5.612 124.777 119.070 0.159 0.000 3.216 123 H HA 0.088 4.575 4.556 -0.115 0.000 0.263 123 H C 1.329 176.757 175.328 0.165 0.000 1.601 123 H CA -0.193 55.973 56.048 0.195 0.000 1.509 123 H CB 0.329 30.212 29.762 0.203 0.000 1.759 123 H HN 0.435 nan 8.280 nan 0.000 0.533 124 R N 2.137 122.809 120.500 0.287 0.000 2.073 124 R HA -0.057 4.214 4.340 -0.115 0.000 0.229 124 R C 0.173 176.527 176.300 0.089 0.000 1.120 124 R CA 0.856 57.060 56.100 0.172 0.000 0.967 124 R CB 0.366 30.731 30.300 0.108 0.000 0.862 124 R HN 0.424 nan 8.270 nan 0.000 0.436 125 N N -1.187 117.554 118.700 0.069 0.000 2.336 125 N HA 0.169 4.840 4.740 -0.115 0.000 0.290 125 N C -2.473 172.973 175.510 -0.107 0.000 1.058 125 N CA -1.787 51.209 53.050 -0.090 0.000 0.865 125 N CB 2.368 40.663 38.487 -0.319 0.000 1.581 125 N HN -0.224 nan 8.380 nan 0.000 0.480 126 P HA -0.012 nan 4.420 nan 0.000 0.219 126 P C 1.359 178.602 177.300 -0.096 0.000 1.146 126 P CA 0.951 64.020 63.100 -0.051 0.000 0.808 126 P CB 0.409 32.125 31.700 0.027 0.000 0.779 127 L N -1.647 119.412 121.223 -0.273 0.000 2.465 127 L HA -0.028 4.243 4.340 -0.115 0.000 0.224 127 L C 1.306 178.150 176.870 -0.044 0.000 1.145 127 L CA -0.096 54.587 54.840 -0.263 0.000 0.834 127 L CB -0.777 40.962 42.059 -0.535 0.000 0.944 127 L HN 0.040 nan 8.230 nan 0.000 0.451 128 C N 1.309 120.613 119.300 0.006 0.000 2.590 128 C HA 0.154 4.545 4.460 -0.115 0.000 0.411 128 C C 2.184 177.294 174.990 0.200 0.000 1.420 128 C CA -0.191 58.986 59.018 0.265 0.000 1.643 128 C CB 0.190 28.129 27.740 0.331 0.000 2.528 128 C HN 0.630 nan 8.230 nan 0.000 0.606 129 G N 4.886 113.826 108.800 0.233 0.000 2.479 129 G HA2 -0.161 3.730 3.960 -0.115 0.000 0.220 129 G HA3 -0.161 3.730 3.960 -0.115 0.000 0.220 129 G C 1.553 176.579 174.900 0.211 0.000 1.115 129 G CA 0.391 45.624 45.100 0.220 0.000 0.757 129 G HN 0.885 nan 8.290 nan 0.000 0.560 130 R N -0.144 120.386 120.500 0.051 0.000 2.509 130 R HA 0.172 4.443 4.340 -0.115 0.000 0.300 130 R C 1.360 177.221 176.300 -0.733 0.000 0.985 130 R CA -0.380 55.514 56.100 -0.343 0.000 1.092 130 R CB 0.085 30.123 30.300 -0.435 0.000 1.237 130 R HN 0.115 nan 8.270 nan 0.000 0.546 131 N N 1.626 120.193 118.700 -0.222 0.000 2.137 131 N HA -0.218 4.453 4.740 -0.115 0.000 0.190 131 N C 1.563 176.945 175.510 -0.214 0.000 1.017 131 N CA 1.570 54.528 53.050 -0.153 0.000 0.859 131 N CB -0.289 38.065 38.487 -0.221 0.000 1.002 131 N HN 0.342 nan 8.380 nan 0.000 0.428 132 F N 1.993 121.828 119.950 -0.191 0.000 2.202 132 F HA -0.106 4.353 4.527 -0.114 0.000 0.301 132 F C 1.654 177.319 175.800 -0.224 0.000 1.082 132 F CA 1.099 58.995 58.000 -0.172 0.000 1.313 132 F CB -0.706 38.235 39.000 -0.099 0.000 1.024 132 F HN 0.132 nan 8.300 nan 0.000 0.495 133 E N -1.077 118.296 120.200 -1.378 0.000 2.419 133 E HA 0.096 4.377 4.350 -0.115 0.000 0.190 133 E C -0.862 175.336 176.600 -0.670 0.000 1.040 133 E CA -0.434 55.363 56.400 -1.006 0.000 0.900 133 E CB -0.365 28.655 29.700 -1.133 0.000 1.054 133 E HN 0.384 nan 8.360 nan 0.000 0.462 134 Y N -0.684 119.401 120.300 -0.358 0.000 2.567 134 Y HA 0.274 4.757 4.550 -0.113 0.000 0.333 134 Y C 0.614 176.293 175.900 -0.370 0.000 1.106 134 Y CA -1.899 55.987 58.100 -0.356 0.000 1.157 134 Y CB 0.347 38.749 38.460 -0.095 0.000 1.277 134 Y HN -0.140 nan 8.280 nan 0.000 0.490 135 Y N -0.133 120.068 120.300 -0.166 0.000 2.163 135 Y HA 0.107 4.587 4.550 -0.116 0.000 0.288 135 Y C 1.374 177.050 175.900 -0.373 0.000 1.112 135 Y CA 1.158 59.096 58.100 -0.270 0.000 1.104 135 Y CB -0.126 38.156 38.460 -0.297 0.000 1.016 135 Y HN 0.469 nan 8.280 nan 0.000 0.497 136 S N -1.410 114.053 115.700 -0.396 0.000 2.625 136 S HA 0.222 4.623 4.470 -0.115 0.000 0.271 136 S C 0.112 174.556 174.600 -0.260 0.000 1.161 136 S CA -0.440 57.612 58.200 -0.248 0.000 0.820 136 S CB 1.076 64.239 63.200 -0.062 0.000 1.137 136 S HN 0.417 nan 8.310 nan 0.000 0.470 137 E N 0.522 120.788 120.200 0.109 0.000 2.489 137 E HA 0.135 4.416 4.350 -0.115 0.000 0.193 137 E C -0.200 176.412 176.600 0.020 0.000 1.057 137 E CA 0.090 56.569 56.400 0.132 0.000 0.866 137 E CB 0.038 29.905 29.700 0.278 0.000 0.916 137 E HN 0.467 nan 8.360 nan 0.000 0.500 138 D N 0.856 121.271 120.400 0.024 0.000 2.256 138 D HA 0.157 4.728 4.640 -0.115 0.000 0.246 138 D C -1.924 174.355 176.300 -0.036 0.000 1.042 138 D CA -2.717 51.279 54.000 -0.007 0.000 0.841 138 D CB 2.002 42.821 40.800 0.031 0.000 1.223 138 D HN -0.273 nan 8.370 nan 0.000 0.470 139 P HA -0.063 nan 4.420 nan 0.000 0.220 139 P C 1.279 178.550 177.300 -0.050 0.000 1.152 139 P CA 0.240 63.309 63.100 -0.052 0.000 0.812 139 P CB 0.314 31.999 31.700 -0.024 0.000 0.792 140 V N 0.118 120.032 119.914 0.000 0.000 2.270 140 V HA -0.193 3.858 4.120 -0.115 0.000 0.245 140 V C 2.438 178.541 176.094 0.016 0.000 1.043 140 V CA 1.505 63.825 62.300 0.034 0.000 1.014 140 V CB -1.269 30.623 31.823 0.116 0.000 0.645 140 V HN 0.034 nan 8.190 nan 0.000 0.447 141 L N 0.234 121.397 121.223 -0.099 0.000 2.012 141 L HA -0.154 4.117 4.340 -0.115 0.000 0.210 141 L C 2.632 179.277 176.870 -0.375 0.000 1.073 141 L CA 2.545 57.135 54.840 -0.417 0.000 0.748 141 L CB -0.907 40.754 42.059 -0.663 0.000 0.891 141 L HN 0.350 nan 8.230 nan 0.000 0.431 142 S N -0.747 114.798 115.700 -0.258 0.000 2.356 142 S HA -0.104 4.297 4.470 -0.115 0.000 0.223 142 S C 2.042 176.472 174.600 -0.284 0.000 1.032 142 S CA 1.214 59.270 58.200 -0.241 0.000 1.005 142 S CB -0.872 62.256 63.200 -0.121 0.000 0.867 142 S HN 0.645 nan 8.310 nan 0.000 0.449 143 G N 1.227 109.902 108.800 -0.209 0.000 2.402 143 G HA2 -0.122 3.769 3.960 -0.115 0.000 0.216 143 G HA3 -0.122 3.769 3.960 -0.115 0.000 0.216 143 G C 1.481 176.268 174.900 -0.188 0.000 1.162 143 G CA 0.653 45.633 45.100 -0.200 0.000 0.777 143 G HN 0.472 nan 8.290 nan 0.000 0.539 144 E N 0.280 120.399 120.200 -0.135 0.000 2.051 144 E HA -0.077 4.204 4.350 -0.115 0.000 0.192 144 E C 2.718 179.220 176.600 -0.163 0.000 0.991 144 E CA 0.724 57.077 56.400 -0.079 0.000 0.799 144 E CB -0.316 29.465 29.700 0.134 0.000 0.748 144 E HN 0.270 nan 8.360 nan 0.000 0.449 145 M N 0.402 119.795 119.600 -0.345 0.000 2.080 145 M HA -0.107 4.304 4.480 -0.115 0.000 0.260 145 M C 2.371 178.362 176.300 -0.516 0.000 1.068 145 M CA 1.399 56.347 55.300 -0.586 0.000 1.109 145 M CB -1.428 30.459 32.600 -1.189 0.000 1.342 145 M HN 0.048 nan 8.290 nan 0.000 0.405 146 A N -0.219 122.311 122.820 -0.484 0.000 1.902 146 A HA -0.126 4.125 4.320 -0.115 0.000 0.217 146 A C 2.522 180.093 177.584 -0.021 0.000 1.181 146 A CA 2.183 54.168 52.037 -0.086 0.000 0.623 146 A CB -0.890 18.097 19.000 -0.021 0.000 0.818 146 A HN 0.495 nan 8.150 nan 0.000 0.443 147 S N 0.259 115.902 115.700 -0.095 0.000 2.359 147 S HA -0.156 4.246 4.470 -0.115 0.000 0.224 147 S C 2.311 176.875 174.600 -0.061 0.000 1.035 147 S CA 1.648 59.802 58.200 -0.077 0.000 1.018 147 S CB -0.393 62.744 63.200 -0.103 0.000 0.876 147 S HN 0.648 nan 8.310 nan 0.000 0.448 148 S N 0.955 116.615 115.700 -0.068 0.000 2.368 148 S HA -0.068 4.333 4.470 -0.115 0.000 0.225 148 S C 1.541 176.123 174.600 -0.030 0.000 1.030 148 S CA 1.192 59.358 58.200 -0.057 0.000 0.999 148 S CB -0.451 62.714 63.200 -0.058 0.000 0.844 148 S HN 0.558 nan 8.310 nan 0.000 0.459 149 F N 2.490 122.362 119.950 -0.129 0.000 2.102 149 F HA -0.124 4.333 4.527 -0.115 0.000 0.298 149 F C 2.116 177.843 175.800 -0.122 0.000 1.105 149 F CA 1.074 59.005 58.000 -0.115 0.000 1.239 149 F CB -0.505 38.454 39.000 -0.068 0.000 0.991 149 F HN -0.041 nan 8.300 nan 0.000 0.474 150 V N 0.800 120.671 119.914 -0.071 0.000 2.343 150 V HA -0.314 3.738 4.120 -0.115 0.000 0.247 150 V C 2.335 178.293 176.094 -0.228 0.000 1.051 150 V CA 2.248 64.443 62.300 -0.174 0.000 1.036 150 V CB -0.780 31.016 31.823 -0.045 0.000 0.654 150 V HN 0.286 nan 8.190 nan 0.000 0.451 151 K N 0.355 120.657 120.400 -0.162 0.000 2.063 151 K HA -0.137 4.114 4.320 -0.115 0.000 0.208 151 K C 2.277 178.760 176.600 -0.195 0.000 1.048 151 K CA 1.561 57.761 56.287 -0.145 0.000 0.928 151 K CB -0.717 31.720 32.500 -0.105 0.000 0.713 151 K HN 0.560 nan 8.250 nan 0.000 0.442 152 G N 1.048 109.697 108.800 -0.252 0.000 2.453 152 G HA2 -0.241 3.650 3.960 -0.115 0.000 0.215 152 G HA3 -0.241 3.650 3.960 -0.115 0.000 0.215 152 G C 1.601 176.287 174.900 -0.356 0.000 1.201 152 G CA 0.937 45.866 45.100 -0.285 0.000 0.784 152 G HN 0.105 nan 8.290 nan 0.000 0.545 153 V N 0.765 120.358 119.914 -0.536 0.000 2.282 153 V HA -0.244 3.808 4.120 -0.115 0.000 0.249 153 V C 2.704 178.567 176.094 -0.385 0.000 1.057 153 V CA 2.282 64.272 62.300 -0.517 0.000 1.032 153 V CB -0.547 30.890 31.823 -0.642 0.000 0.645 153 V HN 0.474 nan 8.190 nan 0.000 0.447 154 Q N -0.100 119.489 119.800 -0.351 0.000 2.403 154 Q HA -0.000 4.271 4.340 -0.115 0.000 0.203 154 Q C 2.068 177.971 176.000 -0.163 0.000 0.932 154 Q CA 0.817 56.435 55.803 -0.308 0.000 0.945 154 Q CB 0.010 28.580 28.738 -0.280 0.000 1.045 154 Q HN 0.800 nan 8.270 nan 0.000 0.511 155 S N -0.232 115.375 115.700 -0.156 0.000 2.561 155 S HA -0.013 4.388 4.470 -0.115 0.000 0.225 155 S C 1.383 175.930 174.600 -0.088 0.000 0.977 155 S CA 0.277 58.419 58.200 -0.097 0.000 0.926 155 S CB 0.247 63.390 63.200 -0.095 0.000 0.769 155 S HN 0.198 nan 8.310 nan 0.000 0.533 156 Q N 0.495 120.218 119.800 -0.129 0.000 2.198 156 Q HA 0.319 4.590 4.340 -0.115 0.000 0.209 156 Q C 1.205 177.135 176.000 -0.117 0.000 0.848 156 Q CA 0.477 56.211 55.803 -0.115 0.000 0.974 156 Q CB 0.351 29.006 28.738 -0.137 0.000 1.115 156 Q HN 0.726 nan 8.270 nan 0.000 0.494 157 G N 0.876 109.625 108.800 -0.085 0.000 2.148 157 G HA2 -0.280 3.611 3.960 -0.115 0.000 0.254 157 G HA3 -0.280 3.611 3.960 -0.115 0.000 0.254 157 G C 0.368 175.243 174.900 -0.043 0.000 0.981 157 G CA 0.586 45.679 45.100 -0.011 0.000 0.670 157 G HN 0.368 nan 8.290 nan 0.000 0.528 158 V N -2.633 117.100 119.914 -0.303 0.000 3.113 158 V HA 1.027 5.078 4.120 -0.115 0.000 0.316 158 V C 0.689 175.971 176.094 -1.355 0.000 1.125 158 V CA -0.428 61.532 62.300 -0.567 0.000 1.026 158 V CB 1.782 33.418 31.823 -0.312 0.000 1.080 158 V HN 1.273 nan 8.190 nan 0.000 0.444 159 G N -0.077 107.820 108.800 -1.504 0.000 2.367 159 G HA2 0.730 4.621 3.960 -0.115 0.000 0.314 159 G HA3 0.730 4.621 3.960 -0.115 0.000 0.314 159 G C -0.331 174.188 174.900 -0.634 0.000 1.130 159 G CA -0.196 43.941 45.100 -1.606 0.000 0.864 159 G HN 1.495 nan 8.290 nan 0.000 0.486 160 A N 0.291 122.814 122.820 -0.495 0.000 2.295 160 A HA 0.613 4.864 4.320 -0.115 0.000 0.318 160 A C -0.246 177.291 177.584 -0.078 0.000 1.134 160 A CA -0.552 51.361 52.037 -0.208 0.000 0.827 160 A CB 1.309 20.207 19.000 -0.170 0.000 1.136 160 A HN 1.298 nan 8.150 nan 0.000 0.493 161 C N 4.347 123.629 119.300 -0.030 0.000 2.407 161 C HA 0.608 4.999 4.460 -0.115 0.000 0.328 161 C C -0.045 174.930 174.990 -0.026 0.000 1.137 161 C CA -0.934 58.068 59.018 -0.026 0.000 1.390 161 C CB -1.653 26.076 27.740 -0.019 0.000 1.989 161 C HN 0.788 nan 8.230 nan 0.000 0.432 162 I N 4.830 125.388 120.570 -0.020 0.000 2.575 162 I HA 0.603 4.704 4.170 -0.115 0.000 0.285 162 I C -0.280 175.866 176.117 0.050 0.000 1.085 162 I CA 0.309 61.606 61.300 -0.004 0.000 1.403 162 I CB 0.712 38.718 38.000 0.010 0.000 1.409 162 I HN 0.802 nan 8.210 nan 0.000 0.557 163 K N 3.529 123.949 120.400 0.035 0.000 2.579 163 K HA 0.527 4.778 4.320 -0.115 0.000 0.284 163 K C -1.682 174.880 176.600 -0.063 0.000 0.990 163 K CA -1.045 55.222 56.287 -0.033 0.000 0.880 163 K CB 1.362 33.641 32.500 -0.367 0.000 1.488 163 K HN 0.724 nan 8.250 nan 0.000 0.425 164 H N 0.421 119.685 119.070 0.322 0.000 2.476 164 H HA 0.367 4.854 4.556 -0.116 0.000 0.328 164 H C -1.592 173.807 175.328 0.117 0.000 1.073 164 H CA -0.572 55.596 56.048 0.201 0.000 1.229 164 H CB 1.042 30.878 29.762 0.123 0.000 1.432 164 H HN 0.417 nan 8.280 nan 0.000 0.477 165 F N 4.517 124.377 119.950 -0.149 0.000 2.375 165 F HA 0.445 4.903 4.527 -0.115 0.000 0.362 165 F C -0.554 175.095 175.800 -0.251 0.000 1.129 165 F CA -0.421 57.273 58.000 -0.510 0.000 1.154 165 F CB 0.080 38.774 39.000 -0.510 0.000 1.205 165 F HN 0.360 nan 8.300 nan 0.000 0.513 166 V N 4.707 124.350 119.914 -0.452 0.000 3.206 166 V HA 0.742 4.793 4.120 -0.115 0.000 0.305 166 V C -0.218 175.758 176.094 -0.196 0.000 1.257 166 V CA -0.411 61.602 62.300 -0.477 0.000 1.057 166 V CB 1.879 33.200 31.823 -0.836 0.000 1.075 166 V HN 1.246 nan 8.190 nan 0.000 0.443 167 A N 2.679 125.463 122.820 -0.061 0.000 2.791 167 A HA -0.235 4.016 4.320 -0.115 0.000 0.292 167 A C 0.543 178.132 177.584 0.008 0.000 1.487 167 A CA 1.346 53.339 52.037 -0.073 0.000 0.760 167 A CB -2.471 16.336 19.000 -0.322 0.000 1.031 167 A HN 1.269 nan 8.150 nan 0.000 0.503 168 N N -0.008 118.746 118.700 0.090 0.000 3.124 168 N HA 0.211 4.883 4.740 -0.115 0.000 0.284 168 N C 0.470 176.098 175.510 0.197 0.000 1.209 168 N CA 0.164 53.297 53.050 0.138 0.000 1.149 168 N CB -0.277 38.316 38.487 0.176 0.000 1.434 168 N HN 0.640 nan 8.380 nan 0.000 0.529 169 N N 1.131 119.957 118.700 0.210 0.000 2.235 169 N HA 0.019 4.690 4.740 -0.115 0.000 0.209 169 N C -0.808 174.902 175.510 0.334 0.000 1.122 169 N CA -0.142 53.078 53.050 0.285 0.000 0.845 169 N CB 0.548 39.199 38.487 0.274 0.000 1.004 169 N HN 0.609 nan 8.380 nan 0.000 0.499 170 Q N -1.269 118.678 119.800 0.245 0.000 2.435 170 Q HA 0.363 4.634 4.340 -0.115 0.000 0.282 170 Q C -0.634 175.430 176.000 0.106 0.000 1.020 170 Q CA -0.775 55.149 55.803 0.201 0.000 0.820 170 Q CB 1.205 29.892 28.738 -0.085 0.000 1.436 170 Q HN -0.224 nan 8.270 nan 0.000 0.395 171 E N 0.747 121.004 120.200 0.095 0.000 2.190 171 E HA 0.054 4.335 4.350 -0.115 0.000 0.191 171 E C -0.058 176.513 176.600 -0.049 0.000 0.978 171 E CA 0.662 57.078 56.400 0.028 0.000 0.839 171 E CB 0.204 29.932 29.700 0.047 0.000 0.787 171 E HN 0.711 nan 8.360 nan 0.000 0.473 172 T N 3.472 117.980 114.554 -0.077 0.000 2.778 172 T HA -0.037 4.244 4.350 -0.115 0.000 0.282 172 T C 0.348 174.984 174.700 -0.107 0.000 0.983 172 T CA 0.082 62.118 62.100 -0.107 0.000 1.193 172 T CB -0.145 68.621 68.868 -0.169 0.000 0.938 172 T HN 0.110 nan 8.240 nan 0.000 0.523 173 N N 1.407 120.052 118.700 -0.092 0.000 2.708 173 N HA -0.219 4.452 4.740 -0.115 0.000 0.249 173 N C 1.383 176.853 175.510 -0.067 0.000 1.097 173 N CA 1.018 54.021 53.050 -0.079 0.000 0.710 173 N CB -0.681 37.765 38.487 -0.069 0.000 1.032 173 N HN 0.842 nan 8.380 nan 0.000 0.551 174 R N -0.700 119.752 120.500 -0.080 0.000 2.159 174 R HA -0.060 4.211 4.340 -0.115 0.000 0.237 174 R C 1.494 177.806 176.300 0.020 0.000 1.131 174 R CA 1.667 57.746 56.100 -0.034 0.000 0.982 174 R CB -0.305 29.970 30.300 -0.042 0.000 0.868 174 R HN 0.373 nan 8.270 nan 0.000 0.453 175 M N 1.174 120.741 119.600 -0.054 0.000 2.595 175 M HA 0.004 4.415 4.480 -0.115 0.000 0.248 175 M C 1.518 177.950 176.300 0.219 0.000 1.119 175 M CA 0.752 56.081 55.300 0.049 0.000 1.079 175 M CB 0.772 33.309 32.600 -0.106 0.000 1.472 175 M HN 0.253 nan 8.290 nan 0.000 0.501 176 V N -5.441 114.543 119.914 0.116 0.000 3.350 176 V HA 0.254 4.305 4.120 -0.115 0.000 0.246 176 V C 0.870 176.952 176.094 -0.021 0.000 1.363 176 V CA -0.442 61.911 62.300 0.089 0.000 1.162 176 V CB -0.044 31.801 31.823 0.037 0.000 0.947 176 V HN 0.022 nan 8.190 nan 0.000 0.454 177 V N 3.220 123.117 119.914 -0.028 0.000 2.720 177 V HA 0.173 4.224 4.120 -0.115 0.000 0.307 177 V C -0.160 175.871 176.094 -0.106 0.000 1.071 177 V CA 0.830 63.087 62.300 -0.071 0.000 1.199 177 V CB 0.804 32.584 31.823 -0.072 0.000 0.900 177 V HN 0.703 nan 8.190 nan 0.000 0.494 178 D N 4.122 124.442 120.400 -0.133 0.000 2.317 178 D HA 0.322 4.893 4.640 -0.115 0.000 0.234 178 D C -0.336 175.859 176.300 -0.175 0.000 1.112 178 D CA -0.062 53.837 54.000 -0.168 0.000 0.840 178 D CB 1.101 41.799 40.800 -0.170 0.000 1.078 178 D HN 0.661 nan 8.370 nan 0.000 0.486 179 T N 5.219 119.643 114.554 -0.218 0.000 2.733 179 T HA 0.320 4.601 4.350 -0.115 0.000 0.294 179 T C 0.343 174.811 174.700 -0.387 0.000 0.956 179 T CA -0.692 61.220 62.100 -0.313 0.000 0.987 179 T CB 0.478 69.128 68.868 -0.363 0.000 0.920 179 T HN 0.237 nan 8.240 nan 0.000 0.470 180 I N 4.735 125.081 120.570 -0.373 0.000 2.307 180 I HA 0.418 4.519 4.170 -0.115 0.000 0.289 180 I C -0.253 175.633 176.117 -0.384 0.000 1.021 180 I CA -0.702 60.412 61.300 -0.309 0.000 1.224 180 I CB 0.537 38.422 38.000 -0.192 0.000 1.376 180 I HN 0.331 nan 8.210 nan 0.000 0.470 181 V N 4.632 124.328 119.914 -0.364 0.000 2.686 181 V HA 0.350 4.401 4.120 -0.115 0.000 0.306 181 V C 0.355 176.347 176.094 -0.169 0.000 1.065 181 V CA -0.881 61.230 62.300 -0.314 0.000 0.894 181 V CB 1.966 33.509 31.823 -0.468 0.000 1.004 181 V HN 0.844 nan 8.190 nan 0.000 0.424 182 S N 1.759 117.423 115.700 -0.059 0.000 2.573 182 S HA 0.105 4.506 4.470 -0.115 0.000 0.277 182 S C 1.023 175.612 174.600 -0.019 0.000 1.346 182 S CA 0.510 58.693 58.200 -0.028 0.000 1.034 182 S CB 1.015 64.236 63.200 0.035 0.000 0.879 182 S HN 0.935 nan 8.310 nan 0.000 0.528 183 E N 1.478 121.665 120.200 -0.021 0.000 2.160 183 E HA -0.230 4.051 4.350 -0.115 0.000 0.195 183 E C 2.224 178.856 176.600 0.052 0.000 0.991 183 E CA 1.170 57.578 56.400 0.012 0.000 0.810 183 E CB -0.089 29.653 29.700 0.071 0.000 0.742 183 E HN 0.798 nan 8.360 nan 0.000 0.466 184 R N 0.057 120.645 120.500 0.147 0.000 2.073 184 R HA -0.140 4.131 4.340 -0.115 0.000 0.234 184 R C 2.220 178.569 176.300 0.081 0.000 1.134 184 R CA 1.448 57.652 56.100 0.173 0.000 0.952 184 R CB -0.338 30.065 30.300 0.171 0.000 0.850 184 R HN 0.197 nan 8.270 nan 0.000 0.433 185 A N 1.135 124.023 122.820 0.115 0.000 1.933 185 A HA -0.106 4.145 4.320 -0.115 0.000 0.218 185 A C 2.208 179.949 177.584 0.262 0.000 1.175 185 A CA 1.109 53.254 52.037 0.180 0.000 0.628 185 A CB -0.516 18.659 19.000 0.290 0.000 0.814 185 A HN 0.361 nan 8.150 nan 0.000 0.444 186 L N -0.998 120.359 121.223 0.224 0.000 1.970 186 L HA -0.233 4.038 4.340 -0.115 0.000 0.212 186 L C 2.929 179.932 176.870 0.222 0.000 1.071 186 L CA 1.847 56.840 54.840 0.254 0.000 0.751 186 L CB -0.460 41.698 42.059 0.166 0.000 0.889 186 L HN 0.367 nan 8.230 nan 0.000 0.432 187 R N -0.485 120.061 120.500 0.076 0.000 2.115 187 R HA -0.117 4.154 4.340 -0.115 0.000 0.230 187 R C 2.029 178.502 176.300 0.289 0.000 1.111 187 R CA 1.015 57.174 56.100 0.097 0.000 0.976 187 R CB -0.090 29.953 30.300 -0.428 0.000 0.870 187 R HN 0.504 nan 8.270 nan 0.000 0.445 188 E N -0.339 119.968 120.200 0.180 0.000 2.250 188 E HA 0.006 4.287 4.350 -0.115 0.000 0.192 188 E C 1.529 178.197 176.600 0.113 0.000 0.986 188 E CA 0.569 57.114 56.400 0.241 0.000 0.849 188 E CB 0.465 30.251 29.700 0.144 0.000 0.797 188 E HN 0.210 nan 8.360 nan 0.000 0.482 189 I N -1.096 119.483 120.570 0.014 0.000 3.570 189 I HA -0.023 4.078 4.170 -0.115 0.000 0.270 189 I C 1.639 177.629 176.117 -0.211 0.000 1.162 189 I CA 0.633 61.803 61.300 -0.216 0.000 1.413 189 I CB -0.810 36.853 38.000 -0.562 0.000 1.437 189 I HN 0.031 nan 8.210 nan 0.000 0.457 190 Y N 1.275 121.687 120.300 0.186 0.000 2.301 190 Y HA 0.148 4.627 4.550 -0.120 0.000 0.295 190 Y C 2.498 178.609 175.900 0.352 0.000 1.119 190 Y CA 0.819 59.057 58.100 0.230 0.000 1.162 190 Y CB -0.413 38.154 38.460 0.178 0.000 1.046 190 Y HN -0.058 nan 8.280 nan 0.000 0.538 191 L N -0.515 120.988 121.223 0.466 0.000 2.240 191 L HA -0.075 4.196 4.340 -0.115 0.000 0.211 191 L C 2.470 179.679 176.870 0.565 0.000 1.106 191 L CA 0.666 55.866 54.840 0.601 0.000 0.793 191 L CB -0.284 42.105 42.059 0.550 0.000 0.927 191 L HN 0.046 nan 8.230 nan 0.000 0.446 192 R N 1.015 121.717 120.500 0.337 0.000 2.091 192 R HA -0.139 4.133 4.340 -0.115 0.000 0.238 192 R C 2.156 178.472 176.300 0.027 0.000 1.136 192 R CA 1.798 57.992 56.100 0.157 0.000 0.959 192 R CB -1.080 29.298 30.300 0.130 0.000 0.856 192 R HN 0.289 nan 8.270 nan 0.000 0.437 193 G N -0.940 107.891 108.800 0.051 0.000 2.421 193 G HA2 -0.237 3.654 3.960 -0.115 0.000 0.216 193 G HA3 -0.237 3.654 3.960 -0.115 0.000 0.216 193 G C 1.288 176.096 174.900 -0.153 0.000 1.171 193 G CA 0.823 45.864 45.100 -0.099 0.000 0.775 193 G HN 0.356 nan 8.290 nan 0.000 0.543 194 F N 0.937 120.891 119.950 0.006 0.000 2.171 194 F HA 0.010 4.467 4.527 -0.117 0.000 0.300 194 F C 2.564 178.143 175.800 -0.368 0.000 1.090 194 F CA 1.498 59.486 58.000 -0.019 0.000 1.293 194 F CB -0.145 39.052 39.000 0.328 0.000 1.013 194 F HN 0.226 nan 8.300 nan 0.000 0.486 195 E N 0.939 120.800 120.200 -0.564 0.000 2.058 195 E HA -0.224 4.057 4.350 -0.115 0.000 0.194 195 E C 2.261 178.432 176.600 -0.714 0.000 0.997 195 E CA 1.603 57.150 56.400 -1.422 0.000 0.801 195 E CB -0.255 28.660 29.700 -1.309 0.000 0.746 195 E HN 0.426 nan 8.360 nan 0.000 0.450 196 I N 0.929 121.248 120.570 -0.420 0.000 2.179 196 I HA -0.265 3.836 4.170 -0.115 0.000 0.242 196 I C 2.629 178.603 176.117 -0.238 0.000 1.088 196 I CA 1.095 62.219 61.300 -0.293 0.000 1.357 196 I CB -0.361 37.513 38.000 -0.211 0.000 1.051 196 I HN 0.182 nan 8.210 nan 0.000 0.409 197 A N 0.303 122.995 122.820 -0.213 0.000 1.898 197 A HA -0.134 4.118 4.320 -0.115 0.000 0.216 197 A C 2.434 179.951 177.584 -0.111 0.000 1.181 197 A CA 1.540 53.488 52.037 -0.149 0.000 0.620 197 A CB -0.925 17.990 19.000 -0.142 0.000 0.819 197 A HN 0.233 nan 8.150 nan 0.000 0.442 198 V N 0.087 119.920 119.914 -0.135 0.000 2.343 198 V HA -0.259 3.792 4.120 -0.115 0.000 0.247 198 V C 2.414 178.487 176.094 -0.035 0.000 1.051 198 V CA 2.413 64.690 62.300 -0.039 0.000 1.036 198 V CB -0.556 31.262 31.823 -0.008 0.000 0.654 198 V HN 0.563 nan 8.190 nan 0.000 0.451 199 K N -0.473 119.841 120.400 -0.144 0.000 2.186 199 K HA 0.005 4.256 4.320 -0.115 0.000 0.202 199 K C 2.079 178.619 176.600 -0.100 0.000 1.052 199 K CA 0.669 56.882 56.287 -0.123 0.000 0.965 199 K CB -0.015 32.362 32.500 -0.205 0.000 0.746 199 K HN 0.394 nan 8.250 nan 0.000 0.457 200 K N 0.134 120.466 120.400 -0.113 0.000 2.284 200 K HA 0.019 4.270 4.320 -0.115 0.000 0.198 200 K C 1.823 178.381 176.600 -0.069 0.000 1.048 200 K CA 1.211 57.439 56.287 -0.097 0.000 0.987 200 K CB 0.533 32.963 32.500 -0.116 0.000 0.800 200 K HN 0.072 nan 8.250 nan 0.000 0.486 201 S N -0.174 115.495 115.700 -0.052 0.000 2.649 201 S HA 0.138 4.539 4.470 -0.115 0.000 0.246 201 S C -0.076 174.529 174.600 0.008 0.000 1.057 201 S CA -0.486 57.694 58.200 -0.034 0.000 1.051 201 S CB 0.205 63.378 63.200 -0.046 0.000 1.018 201 S HN 0.119 nan 8.310 nan 0.000 0.569 202 K N 2.234 122.656 120.400 0.037 0.000 3.974 202 K HA -0.085 4.166 4.320 -0.115 0.000 0.280 202 K C -2.713 173.977 176.600 0.151 0.000 0.949 202 K CA 0.546 56.889 56.287 0.094 0.000 0.817 202 K CB -1.544 30.987 32.500 0.053 0.000 1.535 202 K HN 0.477 nan 8.250 nan 0.000 0.444 203 P HA -0.105 nan 4.420 nan 0.000 0.269 203 P C 0.509 178.004 177.300 0.326 0.000 1.209 203 P CA -0.111 63.100 63.100 0.184 0.000 0.776 203 P CB 0.406 32.179 31.700 0.122 0.000 0.876 204 W N 1.804 123.096 121.300 -0.015 0.000 2.350 204 W HA -0.095 4.496 4.660 -0.116 0.000 0.289 204 W C 1.251 177.680 176.519 -0.150 0.000 1.215 204 W CA 1.323 58.629 57.345 -0.066 0.000 1.236 204 W CB -1.156 28.278 29.460 -0.043 0.000 1.130 204 W HN 0.456 nan 8.180 nan 0.000 0.541 205 S N -2.399 113.364 115.700 0.105 0.000 2.596 205 S HA 0.698 5.100 4.470 -0.115 0.000 0.270 205 S C -1.282 173.264 174.600 -0.090 0.000 1.155 205 S CA -1.125 56.965 58.200 -0.183 0.000 0.827 205 S CB 2.527 65.283 63.200 -0.740 0.000 1.130 205 S HN -0.261 nan 8.310 nan 0.000 0.467 206 V N 2.139 121.936 119.914 -0.195 0.000 2.735 206 V HA 0.593 4.644 4.120 -0.115 0.000 0.310 206 V C -0.625 175.399 176.094 -0.116 0.000 1.061 206 V CA -0.675 61.477 62.300 -0.246 0.000 0.913 206 V CB 1.972 33.448 31.823 -0.578 0.000 1.005 206 V HN 1.007 nan 8.190 nan 0.000 0.428 207 M N 4.329 123.912 119.600 -0.028 0.000 2.101 207 M HA 0.451 4.862 4.480 -0.115 0.000 0.340 207 M C 0.212 176.571 176.300 0.097 0.000 1.057 207 M CA -0.374 54.961 55.300 0.057 0.000 0.984 207 M CB 1.323 33.981 32.600 0.097 0.000 1.560 207 M HN 0.829 nan 8.290 nan 0.000 0.435 208 S N 4.071 119.821 115.700 0.082 0.000 2.549 208 S HA 0.549 4.950 4.470 -0.115 0.000 0.283 208 S C 0.352 174.974 174.600 0.036 0.000 1.320 208 S CA -0.766 57.484 58.200 0.084 0.000 1.058 208 S CB 0.870 64.106 63.200 0.060 0.000 0.882 208 S HN 0.806 nan 8.310 nan 0.000 0.498 209 A N 2.371 125.217 122.820 0.043 0.000 2.386 209 A HA 0.401 4.652 4.320 -0.115 0.000 0.246 209 A C 0.519 178.097 177.584 -0.010 0.000 1.089 209 A CA -0.303 51.750 52.037 0.028 0.000 0.790 209 A CB -0.347 18.686 19.000 0.056 0.000 1.042 209 A HN 0.917 nan 8.150 nan 0.000 0.497 210 Y N 0.911 121.237 120.300 0.043 0.000 2.220 210 Y HA -0.116 4.365 4.550 -0.115 0.000 0.291 210 Y C 1.782 177.772 175.900 0.149 0.000 1.129 210 Y CA 1.546 59.682 58.100 0.060 0.000 1.161 210 Y CB -0.319 38.158 38.460 0.029 0.000 0.997 210 Y HN 0.781 nan 8.280 nan 0.000 0.522 211 N N 1.696 120.555 118.700 0.265 0.000 2.371 211 N HA -0.010 4.661 4.740 -0.115 0.000 0.243 211 N C -0.624 174.965 175.510 0.132 0.000 1.287 211 N CA -0.094 53.058 53.050 0.170 0.000 0.911 211 N CB 0.798 39.319 38.487 0.057 0.000 1.142 211 N HN 0.152 nan 8.380 nan 0.000 0.451 212 K N -0.034 120.350 120.400 -0.026 0.000 2.185 212 K HA 0.306 4.557 4.320 -0.115 0.000 0.271 212 K C -0.606 175.901 176.600 -0.154 0.000 1.013 212 K CA -0.651 55.544 56.287 -0.153 0.000 0.943 212 K CB 0.831 33.132 32.500 -0.331 0.000 0.998 212 K HN 0.382 nan 8.250 nan 0.000 0.468 213 L N 3.664 124.790 121.223 -0.161 0.000 2.342 213 L HA 0.278 4.549 4.340 -0.115 0.000 0.276 213 L C -0.695 176.041 176.870 -0.223 0.000 0.997 213 L CA 0.006 54.721 54.840 -0.208 0.000 0.838 213 L CB 0.619 42.565 42.059 -0.189 0.000 1.224 213 L HN 0.603 nan 8.230 nan 0.000 0.416 214 N N 4.402 122.952 118.700 -0.250 0.000 2.721 214 N HA -0.218 4.453 4.740 -0.115 0.000 0.249 214 N C 0.881 176.268 175.510 -0.206 0.000 1.072 214 N CA 1.315 54.219 53.050 -0.242 0.000 0.710 214 N CB -1.151 37.159 38.487 -0.296 0.000 0.993 214 N HN 1.208 nan 8.380 nan 0.000 0.547 215 G N -1.569 107.113 108.800 -0.195 0.000 2.218 215 G HA2 -0.268 3.623 3.960 -0.115 0.000 0.216 215 G HA3 -0.268 3.623 3.960 -0.115 0.000 0.216 215 G C -0.084 174.706 174.900 -0.184 0.000 0.994 215 G CA 0.340 45.333 45.100 -0.179 0.000 0.637 215 G HN 0.434 nan 8.290 nan 0.000 0.505 216 K N 0.229 120.528 120.400 -0.168 0.000 2.426 216 K HA 0.528 4.779 4.320 -0.115 0.000 0.254 216 K C -0.592 175.959 176.600 -0.083 0.000 0.936 216 K CA -1.005 55.213 56.287 -0.116 0.000 0.801 216 K CB 1.477 33.947 32.500 -0.049 0.000 1.139 216 K HN 0.078 nan 8.250 nan 0.000 0.424 217 Y N 0.986 121.269 120.300 -0.029 0.000 2.987 217 Y HA -0.233 4.249 4.550 -0.114 0.000 0.339 217 Y C 1.567 177.452 175.900 -0.025 0.000 1.272 217 Y CA 0.086 58.176 58.100 -0.016 0.000 1.562 217 Y CB 0.108 38.573 38.460 0.009 0.000 1.253 217 Y HN 0.730 nan 8.280 nan 0.000 0.604 218 C N 0.781 120.167 119.300 0.145 0.000 2.422 218 C HA -0.187 4.204 4.460 -0.115 0.000 0.279 218 C C 2.537 177.560 174.990 0.055 0.000 1.305 218 C CA 1.522 60.561 59.018 0.036 0.000 1.757 218 C CB -1.388 26.335 27.740 -0.028 0.000 1.962 218 C HN 0.978 nan 8.230 nan 0.000 0.499 219 S N -0.093 115.652 115.700 0.075 0.000 2.555 219 S HA -0.057 4.344 4.470 -0.115 0.000 0.230 219 S C 1.117 175.753 174.600 0.060 0.000 0.978 219 S CA 0.774 59.001 58.200 0.045 0.000 0.934 219 S CB -0.449 62.747 63.200 -0.007 0.000 0.766 219 S HN 0.816 nan 8.310 nan 0.000 0.533 220 Q N 0.555 120.414 119.800 0.097 0.000 2.112 220 Q HA 0.306 4.577 4.340 -0.115 0.000 0.222 220 Q C -0.616 175.432 176.000 0.079 0.000 0.798 220 Q CA -0.292 55.567 55.803 0.093 0.000 1.060 220 Q CB 0.382 29.200 28.738 0.134 0.000 1.184 220 Q HN 0.330 nan 8.270 nan 0.000 0.475 221 N N 1.840 120.582 118.700 0.070 0.000 2.558 221 N HA 0.019 4.690 4.740 -0.115 0.000 0.233 221 N C 0.357 175.914 175.510 0.078 0.000 1.038 221 N CA 0.253 53.345 53.050 0.069 0.000 0.934 221 N CB 1.114 39.635 38.487 0.056 0.000 1.175 221 N HN 0.250 nan 8.380 nan 0.000 0.512 222 E N 2.833 123.083 120.200 0.084 0.000 2.110 222 E HA -0.188 4.093 4.350 -0.115 0.000 0.193 222 E C 1.259 177.906 176.600 0.079 0.000 0.988 222 E CA 1.102 57.544 56.400 0.069 0.000 0.804 222 E CB -0.026 29.712 29.700 0.064 0.000 0.745 222 E HN 0.726 nan 8.360 nan 0.000 0.458 223 W N 0.707 121.969 121.300 -0.063 0.000 2.338 223 W HA -0.233 4.353 4.660 -0.124 0.000 0.304 223 W C 1.886 178.330 176.519 -0.124 0.000 1.212 223 W CA 1.551 58.845 57.345 -0.085 0.000 1.264 223 W CB -0.263 29.142 29.460 -0.091 0.000 1.142 223 W HN 0.219 nan 8.180 nan 0.000 0.512 224 L N 0.181 121.402 121.223 -0.004 0.000 2.049 224 L HA -0.003 4.268 4.340 -0.115 0.000 0.203 224 L C 2.265 179.030 176.870 -0.175 0.000 1.074 224 L CA 1.905 56.601 54.840 -0.239 0.000 0.749 224 L CB -0.931 41.054 42.059 -0.123 0.000 0.907 224 L HN 0.038 nan 8.230 nan 0.000 0.439 225 L N -1.255 119.938 121.223 -0.049 0.000 2.270 225 L HA -0.044 4.227 4.340 -0.115 0.000 0.210 225 L C 2.305 179.148 176.870 -0.045 0.000 1.104 225 L CA 0.840 55.680 54.840 -0.001 0.000 0.804 225 L CB -0.350 41.735 42.059 0.042 0.000 0.937 225 L HN 0.247 nan 8.230 nan 0.000 0.450 226 K N 0.023 120.378 120.400 -0.075 0.000 2.267 226 K HA 0.057 4.308 4.320 -0.115 0.000 0.213 226 K C 2.077 178.587 176.600 -0.150 0.000 1.060 226 K CA 0.131 56.376 56.287 -0.069 0.000 0.935 226 K CB 0.261 32.745 32.500 -0.026 0.000 1.096 226 K HN 0.013 nan 8.250 nan 0.000 0.468 227 K N 0.828 121.103 120.400 -0.208 0.000 2.009 227 K HA -0.120 4.131 4.320 -0.115 0.000 0.210 227 K C 2.108 178.440 176.600 -0.448 0.000 1.049 227 K CA 1.548 57.666 56.287 -0.282 0.000 0.929 227 K CB -0.167 32.153 32.500 -0.300 0.000 0.714 227 K HN -0.067 nan 8.250 nan 0.000 0.440 228 V N 1.236 120.718 119.914 -0.719 0.000 2.256 228 V HA -0.188 3.863 4.120 -0.115 0.000 0.240 228 V C 2.163 177.682 176.094 -0.959 0.000 1.036 228 V CA 1.161 62.884 62.300 -0.962 0.000 1.008 228 V CB -0.455 30.615 31.823 -1.254 0.000 0.648 228 V HN 0.203 nan 8.190 nan 0.000 0.453 229 L N -0.099 120.712 121.223 -0.686 0.000 1.971 229 L HA -0.184 4.087 4.340 -0.115 0.000 0.215 229 L C 2.484 179.294 176.870 -0.099 0.000 1.072 229 L CA 2.227 56.804 54.840 -0.439 0.000 0.758 229 L CB -0.611 41.276 42.059 -0.286 0.000 0.889 229 L HN 0.184 nan 8.230 nan 0.000 0.433 230 R N -0.643 119.822 120.500 -0.058 0.000 2.048 230 R HA 0.063 4.335 4.340 -0.115 0.000 0.221 230 R C 2.199 178.509 176.300 0.016 0.000 1.174 230 R CA 1.328 57.458 56.100 0.050 0.000 0.971 230 R CB -0.490 29.838 30.300 0.048 0.000 0.863 230 R HN 0.404 nan 8.270 nan 0.000 0.439 231 E N 0.318 120.493 120.200 -0.042 0.000 2.153 231 E HA -0.181 4.100 4.350 -0.115 0.000 0.194 231 E C 1.659 178.260 176.600 0.002 0.000 0.988 231 E CA 1.200 57.587 56.400 -0.021 0.000 0.811 231 E CB 0.084 29.762 29.700 -0.037 0.000 0.746 231 E HN 0.417 nan 8.360 nan 0.000 0.466 232 E N -0.457 119.719 120.200 -0.040 0.000 2.079 232 E HA -0.064 4.217 4.350 -0.115 0.000 0.191 232 E C 1.744 178.487 176.600 0.237 0.000 0.961 232 E CA 0.447 56.880 56.400 0.056 0.000 0.823 232 E CB 0.047 29.726 29.700 -0.035 0.000 0.789 232 E HN 0.287 nan 8.360 nan 0.000 0.459 233 W N 0.181 121.478 121.300 -0.005 0.000 2.658 233 W HA 0.242 4.828 4.660 -0.122 0.000 0.263 233 W C 1.153 177.684 176.519 0.020 0.000 1.274 233 W CA 0.980 58.325 57.345 0.000 0.000 1.343 233 W CB -0.325 29.130 29.460 -0.008 0.000 1.106 233 W HN 0.216 nan 8.180 nan 0.000 0.615 234 G N 0.530 109.476 108.800 0.244 0.000 2.212 234 G HA2 -0.306 3.585 3.960 -0.115 0.000 0.255 234 G HA3 -0.306 3.585 3.960 -0.115 0.000 0.255 234 G C -0.192 174.813 174.900 0.175 0.000 1.062 234 G CA -0.366 44.825 45.100 0.152 0.000 0.815 234 G HN 0.100 nan 8.290 nan 0.000 0.497 235 F N 0.854 120.843 119.950 0.065 0.000 2.578 235 F HA 0.451 4.910 4.527 -0.114 0.000 0.376 235 F C 1.062 176.862 175.800 -0.001 0.000 1.085 235 F CA 0.213 58.230 58.000 0.029 0.000 1.260 235 F CB 0.674 39.682 39.000 0.012 0.000 1.095 235 F HN 0.216 nan 8.300 nan 0.000 0.573 236 E N 3.384 123.171 120.200 -0.689 0.000 2.660 236 E HA 0.210 4.491 4.350 -0.115 0.000 0.216 236 E C 0.711 176.864 176.600 -0.746 0.000 0.986 236 E CA -0.253 55.816 56.400 -0.552 0.000 1.037 236 E CB 0.603 30.135 29.700 -0.280 0.000 1.041 236 E HN 0.822 nan 8.360 nan 0.000 0.480 237 G N 0.803 108.675 108.800 -1.546 0.000 2.606 237 G HA2 0.479 4.370 3.960 -0.115 0.000 0.262 237 G HA3 0.479 4.370 3.960 -0.115 0.000 0.262 237 G C -0.332 174.316 174.900 -0.420 0.000 1.394 237 G CA -0.571 43.998 45.100 -0.885 0.000 1.044 237 G HN 0.131 nan 8.290 nan 0.000 0.553 238 F N -1.984 117.945 119.950 -0.034 0.000 2.575 238 F HA 0.797 5.255 4.527 -0.114 0.000 0.330 238 F C -0.571 175.425 175.800 0.327 0.000 1.056 238 F CA -1.494 56.589 58.000 0.139 0.000 0.964 238 F CB 1.667 40.680 39.000 0.022 0.000 1.258 238 F HN 0.280 nan 8.300 nan 0.000 0.484 239 V N 3.452 123.557 119.914 0.318 0.000 2.513 239 V HA 0.456 4.507 4.120 -0.115 0.000 0.299 239 V C 0.103 176.334 176.094 0.228 0.000 1.035 239 V CA -0.780 61.605 62.300 0.142 0.000 0.889 239 V CB 1.527 33.414 31.823 0.107 0.000 0.988 239 V HN 0.912 nan 8.190 nan 0.000 0.440 240 M N 3.028 122.721 119.600 0.154 0.000 2.664 240 M HA 0.767 5.178 4.480 -0.115 0.000 0.314 240 M C -0.059 176.315 176.300 0.124 0.000 1.200 240 M CA -0.423 54.997 55.300 0.200 0.000 0.916 240 M CB 2.183 34.952 32.600 0.281 0.000 1.717 240 M HN 0.565 nan 8.290 nan 0.000 0.470 241 S N 0.305 116.053 115.700 0.080 0.000 2.601 241 S HA 0.249 4.650 4.470 -0.115 0.000 0.271 241 S C -0.230 174.422 174.600 0.088 0.000 1.305 241 S CA -0.695 57.521 58.200 0.028 0.000 1.022 241 S CB 1.009 64.186 63.200 -0.038 0.000 0.940 241 S HN 0.789 nan 8.310 nan 0.000 0.525 242 D N 0.447 120.832 120.400 -0.024 0.000 2.354 242 D HA -0.001 4.570 4.640 -0.115 0.000 0.238 242 D C -0.322 176.050 176.300 0.121 0.000 1.250 242 D CA -0.306 53.666 54.000 -0.047 0.000 0.911 242 D CB 0.370 40.724 40.800 -0.745 0.000 1.163 242 D HN 0.686 nan 8.370 nan 0.000 0.456 243 W N 2.844 124.035 121.300 -0.181 0.000 2.655 243 W HA 0.021 4.612 4.660 -0.116 0.000 0.333 243 W C 0.202 176.785 176.519 0.105 0.000 1.382 243 W CA -0.403 56.872 57.345 -0.117 0.000 1.398 243 W CB -0.254 29.206 29.460 -0.001 0.000 1.481 243 W HN 0.595 nan 8.180 nan 0.000 0.526 244 Y N -0.152 120.226 120.300 0.130 0.000 4.879 244 Y HA -0.290 4.191 4.550 -0.115 0.000 0.247 244 Y C 1.013 176.981 175.900 0.114 0.000 0.985 244 Y CA 0.170 58.324 58.100 0.091 0.000 2.000 244 Y CB -1.822 36.711 38.460 0.121 0.000 1.519 244 Y HN 0.473 nan 8.280 nan 0.000 0.613 245 A N 1.212 124.143 122.820 0.186 0.000 2.386 245 A HA 0.570 4.822 4.320 -0.115 0.000 0.246 245 A C 1.344 178.836 177.584 -0.154 0.000 1.089 245 A CA 0.840 52.923 52.037 0.076 0.000 0.790 245 A CB -0.359 18.556 19.000 -0.142 0.000 1.042 245 A HN 1.708 nan 8.150 nan 0.000 0.497 246 G N 0.317 108.812 108.800 -0.508 0.000 2.750 246 G HA2 0.055 3.946 3.960 -0.115 0.000 0.228 246 G HA3 0.055 3.946 3.960 -0.115 0.000 0.228 246 G C -0.201 174.371 174.900 -0.547 0.000 1.367 246 G CA 0.987 45.596 45.100 -0.819 0.000 0.871 246 G HN 2.006 nan 8.290 nan 0.000 0.560 247 D N -1.597 118.643 120.400 -0.266 0.000 2.523 247 D HA 0.200 4.771 4.640 -0.115 0.000 0.269 247 D C 0.181 176.489 176.300 0.012 0.000 1.374 247 D CA 0.272 54.240 54.000 -0.052 0.000 0.820 247 D CB 0.057 40.907 40.800 0.083 0.000 1.211 247 D HN 0.599 nan 8.370 nan 0.000 0.502 248 N N 0.623 119.326 118.700 0.005 0.000 2.599 248 N HA 0.241 4.912 4.740 -0.115 0.000 0.283 248 N C -2.457 173.062 175.510 0.015 0.000 1.160 248 N CA -1.262 51.802 53.050 0.024 0.000 0.869 248 N CB 2.491 41.005 38.487 0.046 0.000 1.448 248 N HN -0.299 nan 8.380 nan 0.000 0.535 249 P HA -0.131 nan 4.420 nan 0.000 0.215 249 P C 1.490 178.799 177.300 0.014 0.000 1.153 249 P CA 0.881 63.987 63.100 0.009 0.000 0.853 249 P CB 0.451 32.159 31.700 0.014 0.000 0.788 250 V N -0.524 119.400 119.914 0.017 0.000 2.453 250 V HA -0.130 3.921 4.120 -0.115 0.000 0.247 250 V C 2.030 178.138 176.094 0.022 0.000 1.048 250 V CA 1.855 64.166 62.300 0.017 0.000 1.049 250 V CB -1.059 30.772 31.823 0.015 0.000 0.672 250 V HN -0.073 nan 8.190 nan 0.000 0.457 251 E N 0.369 120.586 120.200 0.028 0.000 2.153 251 E HA -0.219 4.062 4.350 -0.115 0.000 0.194 251 E C 2.284 178.907 176.600 0.039 0.000 0.988 251 E CA 1.722 58.143 56.400 0.036 0.000 0.811 251 E CB -0.251 29.478 29.700 0.048 0.000 0.746 251 E HN 0.802 nan 8.360 nan 0.000 0.466 252 Q N 0.072 119.891 119.800 0.032 0.000 2.050 252 Q HA -0.075 4.196 4.340 -0.115 0.000 0.202 252 Q C 2.461 178.482 176.000 0.034 0.000 0.980 252 Q CA 0.983 56.805 55.803 0.031 0.000 0.840 252 Q CB -0.124 28.623 28.738 0.015 0.000 0.898 252 Q HN 0.266 nan 8.270 nan 0.000 0.424 253 L N 0.504 121.745 121.223 0.028 0.000 2.141 253 L HA -0.168 4.104 4.340 -0.115 0.000 0.209 253 L C 2.197 179.085 176.870 0.029 0.000 1.094 253 L CA 1.090 55.947 54.840 0.029 0.000 0.763 253 L CB -0.270 41.801 42.059 0.020 0.000 0.908 253 L HN 0.112 nan 8.230 nan 0.000 0.437 254 K N 0.122 120.539 120.400 0.028 0.000 2.211 254 K HA -0.048 4.203 4.320 -0.115 0.000 0.203 254 K C 2.065 178.684 176.600 0.032 0.000 1.050 254 K CA 1.107 57.410 56.287 0.027 0.000 0.945 254 K CB -0.099 32.416 32.500 0.025 0.000 0.732 254 K HN 0.271 nan 8.250 nan 0.000 0.451 255 A N 0.077 122.919 122.820 0.038 0.000 2.123 255 A HA 0.181 4.432 4.320 -0.115 0.000 0.214 255 A C 1.404 179.012 177.584 0.041 0.000 1.152 255 A CA 0.986 53.048 52.037 0.042 0.000 0.728 255 A CB -0.005 19.025 19.000 0.050 0.000 0.814 255 A HN 0.385 nan 8.150 nan 0.000 0.464 256 G N -0.700 108.128 108.800 0.046 0.000 2.154 256 G HA2 -0.222 3.669 3.960 -0.115 0.000 0.186 256 G HA3 -0.222 3.669 3.960 -0.115 0.000 0.186 256 G C -0.030 174.918 174.900 0.080 0.000 1.000 256 G CA 0.097 45.232 45.100 0.058 0.000 0.664 256 G HN 0.639 nan 8.290 nan 0.000 0.513 257 N N 1.026 119.769 118.700 0.072 0.000 2.415 257 N HA 0.380 5.051 4.740 -0.115 0.000 0.250 257 N C 1.225 176.789 175.510 0.090 0.000 1.127 257 N CA 0.097 53.197 53.050 0.084 0.000 0.945 257 N CB 0.375 38.899 38.487 0.061 0.000 1.196 257 N HN 0.209 nan 8.380 nan 0.000 0.499 258 D N 1.938 122.421 120.400 0.137 0.000 2.120 258 D HA -0.092 4.479 4.640 -0.115 0.000 0.202 258 D C 0.129 176.479 176.300 0.084 0.000 0.972 258 D CA 0.871 54.940 54.000 0.114 0.000 0.837 258 D CB 0.309 41.204 40.800 0.159 0.000 0.989 258 D HN 0.322 nan 8.370 nan 0.000 0.469 259 L N 1.493 122.800 121.223 0.140 0.000 2.298 259 L HA 0.349 4.620 4.340 -0.115 0.000 0.284 259 L C -0.809 176.087 176.870 0.044 0.000 1.013 259 L CA -0.436 54.455 54.840 0.085 0.000 0.824 259 L CB 1.265 43.409 42.059 0.142 0.000 1.221 259 L HN -0.171 nan 8.230 nan 0.000 0.418 260 I N 6.372 126.934 120.570 -0.014 0.000 2.352 260 I HA 0.338 4.439 4.170 -0.115 0.000 0.290 260 I C -0.133 175.873 176.117 -0.186 0.000 1.036 260 I CA 0.058 61.314 61.300 -0.073 0.000 1.336 260 I CB 0.743 38.712 38.000 -0.052 0.000 1.407 260 I HN 0.482 nan 8.210 nan 0.000 0.497 261 M N 8.658 128.063 119.600 -0.326 0.000 2.530 261 M HA 0.371 4.782 4.480 -0.115 0.000 0.307 261 M C -2.173 173.534 176.300 -0.988 0.000 1.161 261 M CA -2.009 52.859 55.300 -0.720 0.000 0.903 261 M CB 2.208 34.196 32.600 -1.020 0.000 1.711 261 M HN 0.213 nan 8.290 nan 0.000 0.451 262 P HA 0.213 nan 4.420 nan 0.000 0.261 262 P C 0.383 177.353 177.300 -0.550 0.000 1.268 262 P CA 0.516 62.939 63.100 -1.128 0.000 0.833 262 P CB 0.665 31.649 31.700 -1.194 0.000 1.231 263 G N 1.349 109.899 108.800 -0.417 0.000 2.662 263 G HA2 -0.152 3.739 3.960 -0.115 0.000 0.686 263 G HA3 -0.152 3.739 3.960 -0.115 0.000 0.686 263 G C -0.628 174.185 174.900 -0.145 0.000 1.271 263 G CA -0.495 44.492 45.100 -0.190 0.000 0.816 263 G HN 0.084 nan 8.290 nan 0.000 0.608 264 K N -1.423 118.901 120.400 -0.127 0.000 3.148 264 K HA -0.209 4.042 4.320 -0.115 0.000 0.267 264 K C 1.808 178.127 176.600 -0.468 0.000 0.996 264 K CA 1.194 57.222 56.287 -0.433 0.000 0.737 264 K CB -1.521 30.691 32.500 -0.479 0.000 1.308 264 K HN 1.931 nan 8.250 nan 0.000 0.470 265 A N 0.460 123.207 122.820 -0.122 0.000 2.131 265 A HA -0.188 4.063 4.320 -0.115 0.000 0.220 265 A C 1.643 179.124 177.584 -0.171 0.000 1.158 265 A CA 1.541 53.594 52.037 0.027 0.000 0.665 265 A CB -0.767 18.315 19.000 0.137 0.000 0.795 265 A HN 0.674 nan 8.150 nan 0.000 0.460 266 Y N -1.256 119.007 120.300 -0.062 0.000 2.639 266 Y HA 0.002 4.483 4.550 -0.115 0.000 0.297 266 Y C 1.833 177.618 175.900 -0.191 0.000 1.151 266 Y CA 1.011 59.049 58.100 -0.104 0.000 1.335 266 Y CB -0.623 37.797 38.460 -0.067 0.000 0.994 266 Y HN 0.372 nan 8.280 nan 0.000 0.548 267 Q N 0.604 120.073 119.800 -0.552 0.000 2.432 267 Q HA 0.022 4.293 4.340 -0.115 0.000 0.205 267 Q C 1.644 177.208 176.000 -0.727 0.000 0.945 267 Q CA 1.224 56.629 55.803 -0.664 0.000 0.924 267 Q CB 0.395 28.527 28.738 -1.009 0.000 1.016 267 Q HN 0.665 nan 8.270 nan 0.000 0.503 268 V N -4.342 115.211 119.914 -0.602 0.000 3.485 268 V HA 0.303 4.354 4.120 -0.115 0.000 0.280 268 V C 0.142 176.062 176.094 -0.290 0.000 1.495 268 V CA -0.421 61.587 62.300 -0.487 0.000 1.018 268 V CB 0.666 32.087 31.823 -0.670 0.000 0.818 268 V HN 0.096 nan 8.190 nan 0.000 0.436 269 N N 1.058 119.621 118.700 -0.228 0.000 2.540 269 N HA 0.225 4.896 4.740 -0.115 0.000 0.275 269 N C 0.688 176.165 175.510 -0.055 0.000 1.053 269 N CA 0.484 53.463 53.050 -0.118 0.000 0.876 269 N CB 2.154 40.583 38.487 -0.097 0.000 1.284 269 N HN 0.234 nan 8.380 nan 0.000 0.518 270 T N 1.554 116.084 114.554 -0.041 0.000 2.869 270 T HA -0.141 4.140 4.350 -0.115 0.000 0.270 270 T C 1.085 175.784 174.700 -0.001 0.000 1.082 270 T CA 1.350 63.441 62.100 -0.015 0.000 1.123 270 T CB 0.258 69.115 68.868 -0.018 0.000 0.856 270 T HN 0.496 nan 8.240 nan 0.000 0.499 271 E N 0.221 120.419 120.200 -0.003 0.000 2.170 271 E HA 0.103 4.384 4.350 -0.115 0.000 0.191 271 E C 0.904 177.515 176.600 0.017 0.000 0.981 271 E CA 0.319 56.721 56.400 0.004 0.000 0.830 271 E CB 0.136 29.838 29.700 0.003 0.000 0.775 271 E HN 0.255 nan 8.360 nan 0.000 0.470 272 R N 1.384 121.901 120.500 0.029 0.000 2.594 272 R HA 0.252 4.523 4.340 -0.115 0.000 0.272 272 R C 0.262 176.612 176.300 0.083 0.000 1.074 272 R CA 0.042 56.174 56.100 0.052 0.000 1.105 272 R CB 0.388 30.722 30.300 0.056 0.000 1.008 272 R HN 0.085 nan 8.270 nan 0.000 0.472 273 R N 0.440 120.982 120.500 0.070 0.000 2.549 273 R HA 0.069 4.340 4.340 -0.115 0.000 0.267 273 R C -0.259 176.131 176.300 0.150 0.000 1.045 273 R CA -0.716 55.419 56.100 0.059 0.000 1.115 273 R CB 0.524 30.835 30.300 0.019 0.000 1.121 273 R HN 0.529 nan 8.270 nan 0.000 0.543 274 D N 1.518 121.995 120.400 0.128 0.000 2.472 274 D HA -0.079 4.492 4.640 -0.115 0.000 0.248 274 D C 1.021 177.401 176.300 0.134 0.000 1.174 274 D CA 0.233 54.384 54.000 0.251 0.000 0.883 274 D CB 0.884 41.746 40.800 0.104 0.000 1.149 274 D HN 0.449 nan 8.370 nan 0.000 0.488 275 E N 4.201 124.481 120.200 0.132 0.000 2.153 275 E HA -0.194 4.088 4.350 -0.115 0.000 0.194 275 E C 1.949 178.576 176.600 0.045 0.000 0.988 275 E CA 0.859 57.300 56.400 0.069 0.000 0.811 275 E CB -0.229 29.500 29.700 0.048 0.000 0.746 275 E HN 0.660 nan 8.360 nan 0.000 0.466 276 I N 1.520 122.121 120.570 0.051 0.000 2.202 276 I HA -0.235 3.866 4.170 -0.115 0.000 0.242 276 I C 2.474 178.594 176.117 0.005 0.000 1.091 276 I CA 1.292 62.600 61.300 0.014 0.000 1.368 276 I CB -0.357 37.639 38.000 -0.007 0.000 1.058 276 I HN 0.063 nan 8.210 nan 0.000 0.410 277 E N 0.679 120.885 120.200 0.011 0.000 2.070 277 E HA -0.317 3.964 4.350 -0.115 0.000 0.197 277 E C 2.086 178.686 176.600 -0.002 0.000 1.004 277 E CA 1.751 58.148 56.400 -0.004 0.000 0.805 277 E CB -0.160 29.532 29.700 -0.015 0.000 0.744 277 E HN 0.475 nan 8.360 nan 0.000 0.451 278 E N 0.660 120.865 120.200 0.008 0.000 2.072 278 E HA -0.184 4.097 4.350 -0.115 0.000 0.191 278 E C 2.093 178.697 176.600 0.006 0.000 0.985 278 E CA 0.840 57.245 56.400 0.008 0.000 0.801 278 E CB -0.003 29.707 29.700 0.017 0.000 0.750 278 E HN 0.223 nan 8.360 nan 0.000 0.452 279 I N 0.482 121.055 120.570 0.006 0.000 2.202 279 I HA -0.272 3.829 4.170 -0.115 0.000 0.242 279 I C 2.481 178.596 176.117 -0.003 0.000 1.091 279 I CA 0.681 61.983 61.300 0.002 0.000 1.368 279 I CB -0.254 37.747 38.000 0.001 0.000 1.058 279 I HN 0.261 nan 8.210 nan 0.000 0.410 280 M N 0.178 119.773 119.600 -0.008 0.000 2.106 280 M HA -0.268 4.143 4.480 -0.115 0.000 0.259 280 M C 2.232 178.527 176.300 -0.008 0.000 1.068 280 M CA 1.734 57.027 55.300 -0.011 0.000 1.100 280 M CB -1.243 31.348 32.600 -0.015 0.000 1.351 280 M HN 0.327 nan 8.290 nan 0.000 0.404 281 E N -0.088 120.109 120.200 -0.007 0.000 2.077 281 E HA -0.138 4.143 4.350 -0.115 0.000 0.193 281 E C 1.948 178.546 176.600 -0.003 0.000 0.989 281 E CA 1.310 57.706 56.400 -0.006 0.000 0.800 281 E CB 0.099 29.796 29.700 -0.005 0.000 0.746 281 E HN 0.449 nan 8.360 nan 0.000 0.452 282 A N 0.808 123.627 122.820 -0.001 0.000 1.969 282 A HA -0.094 4.157 4.320 -0.115 0.000 0.218 282 A C 2.155 179.739 177.584 -0.000 0.000 1.169 282 A CA 0.800 52.838 52.037 0.001 0.000 0.635 282 A CB -0.470 18.533 19.000 0.004 0.000 0.810 282 A HN 0.287 nan 8.150 nan 0.000 0.445 283 L N -0.741 120.481 121.223 -0.002 0.000 2.056 283 L HA -0.156 4.115 4.340 -0.115 0.000 0.207 283 L C 2.545 179.413 176.870 -0.004 0.000 1.078 283 L CA 1.694 56.532 54.840 -0.003 0.000 0.749 283 L CB -0.274 41.781 42.059 -0.005 0.000 0.901 283 L HN 0.347 nan 8.230 nan 0.000 0.433 284 K N 0.752 121.149 120.400 -0.005 0.000 2.147 284 K HA -0.185 4.066 4.320 -0.115 0.000 0.205 284 K C 1.577 178.175 176.600 -0.004 0.000 1.049 284 K CA 1.621 57.905 56.287 -0.005 0.000 0.936 284 K CB -0.006 32.490 32.500 -0.006 0.000 0.722 284 K HN 0.354 nan 8.250 nan 0.000 0.446 285 E N -1.601 118.597 120.200 -0.003 0.000 2.481 285 E HA 0.166 4.447 4.350 -0.115 0.000 0.198 285 E C 0.358 176.957 176.600 -0.001 0.000 1.027 285 E CA 0.330 56.729 56.400 -0.002 0.000 0.900 285 E CB 0.525 30.224 29.700 -0.002 0.000 0.993 285 E HN 0.468 nan 8.360 nan 0.000 0.482 286 G N 2.461 111.261 108.800 -0.000 0.000 2.147 286 G HA2 -0.338 3.553 3.960 -0.115 0.000 0.244 286 G HA3 -0.338 3.553 3.960 -0.115 0.000 0.244 286 G C 0.817 175.719 174.900 0.002 0.000 1.005 286 G CA 0.664 45.765 45.100 0.001 0.000 0.713 286 G HN 0.221 nan 8.290 nan 0.000 0.515 287 K N -1.383 119.019 120.400 0.003 0.000 2.228 287 K HA 0.254 4.506 4.320 -0.115 0.000 0.202 287 K C 0.783 177.387 176.600 0.006 0.000 1.051 287 K CA 0.743 57.033 56.287 0.005 0.000 0.960 287 K CB 0.376 32.879 32.500 0.005 0.000 0.743 287 K HN 0.416 nan 8.250 nan 0.000 0.458 288 L N 0.867 122.093 121.223 0.004 0.000 2.410 288 L HA 0.200 4.471 4.340 -0.115 0.000 0.270 288 L C -0.651 176.220 176.870 0.002 0.000 0.983 288 L CA -0.515 54.327 54.840 0.005 0.000 0.822 288 L CB 2.003 44.065 42.059 0.005 0.000 1.285 288 L HN -0.005 nan 8.230 nan 0.000 0.409 289 S N 1.969 117.670 115.700 0.003 0.000 2.610 289 S HA 0.282 4.683 4.470 -0.115 0.000 0.273 289 S C 0.787 175.386 174.600 -0.001 0.000 1.274 289 S CA -0.254 57.946 58.200 0.001 0.000 1.023 289 S CB 1.269 64.470 63.200 0.002 0.000 0.962 289 S HN 0.818 nan 8.310 nan 0.000 0.523 290 E N 1.135 121.334 120.200 -0.003 0.000 2.204 290 E HA -0.197 4.084 4.350 -0.115 0.000 0.195 290 E C 1.612 178.209 176.600 -0.005 0.000 0.990 290 E CA 1.297 57.694 56.400 -0.005 0.000 0.821 290 E CB -0.028 29.668 29.700 -0.006 0.000 0.750 290 E HN 0.826 nan 8.360 nan 0.000 0.477 291 E N 0.293 120.490 120.200 -0.004 0.000 2.051 291 E HA -0.164 4.117 4.350 -0.115 0.000 0.192 291 E C 2.261 178.858 176.600 -0.004 0.000 0.991 291 E CA 1.148 57.545 56.400 -0.004 0.000 0.799 291 E CB -0.537 29.161 29.700 -0.003 0.000 0.748 291 E HN 0.210 nan 8.360 nan 0.000 0.449 292 V N 1.757 121.671 119.914 -0.000 0.000 2.343 292 V HA -0.230 3.821 4.120 -0.115 0.000 0.247 292 V C 2.534 178.629 176.094 0.001 0.000 1.051 292 V CA 1.557 63.859 62.300 0.003 0.000 1.036 292 V CB -0.634 31.193 31.823 0.007 0.000 0.654 292 V HN 0.130 nan 8.190 nan 0.000 0.451 293 L N 0.506 121.728 121.223 -0.002 0.000 2.042 293 L HA -0.185 4.087 4.340 -0.115 0.000 0.210 293 L C 2.098 178.962 176.870 -0.011 0.000 1.076 293 L CA 2.101 56.938 54.840 -0.005 0.000 0.749 293 L CB -0.951 41.104 42.059 -0.007 0.000 0.893 293 L HN 0.300 nan 8.230 nan 0.000 0.432 294 D N -0.384 120.009 120.400 -0.013 0.000 2.123 294 D HA -0.251 4.320 4.640 -0.115 0.000 0.196 294 D C 2.087 178.373 176.300 -0.023 0.000 0.992 294 D CA 1.557 55.546 54.000 -0.018 0.000 0.833 294 D CB -0.099 40.692 40.800 -0.016 0.000 0.954 294 D HN 0.561 nan 8.370 nan 0.000 0.455 295 E N -0.187 120.003 120.200 -0.016 0.000 2.153 295 E HA -0.149 4.132 4.350 -0.115 0.000 0.194 295 E C 1.977 178.568 176.600 -0.015 0.000 0.988 295 E CA 0.702 57.093 56.400 -0.016 0.000 0.811 295 E CB 0.086 29.782 29.700 -0.006 0.000 0.746 295 E HN 0.230 nan 8.360 nan 0.000 0.466 296 C N -0.182 119.113 119.300 -0.009 0.000 2.462 296 C HA -0.098 4.293 4.460 -0.115 0.000 0.278 296 C C 2.666 177.632 174.990 -0.040 0.000 1.253 296 C CA 0.558 59.574 59.018 -0.004 0.000 1.713 296 C CB -0.838 26.904 27.740 0.003 0.000 2.049 296 C HN 0.314 nan 8.230 nan 0.000 0.477 297 V N 1.045 120.930 119.914 -0.049 0.000 2.332 297 V HA -0.240 3.812 4.120 -0.115 0.000 0.248 297 V C 2.626 178.659 176.094 -0.101 0.000 1.055 297 V CA 2.135 64.389 62.300 -0.075 0.000 1.038 297 V CB -0.840 30.953 31.823 -0.050 0.000 0.651 297 V HN 0.503 nan 8.190 nan 0.000 0.450 298 R N 0.315 120.767 120.500 -0.079 0.000 2.073 298 R HA -0.188 4.083 4.340 -0.115 0.000 0.234 298 R C 2.307 178.537 176.300 -0.117 0.000 1.134 298 R CA 1.960 58.004 56.100 -0.093 0.000 0.952 298 R CB -0.292 29.967 30.300 -0.069 0.000 0.850 298 R HN 0.534 nan 8.270 nan 0.000 0.433 299 N N 0.788 119.437 118.700 -0.085 0.000 2.069 299 N HA -0.184 4.487 4.740 -0.115 0.000 0.191 299 N C 1.881 177.327 175.510 -0.106 0.000 1.031 299 N CA 1.648 54.661 53.050 -0.062 0.000 0.852 299 N CB -0.308 38.195 38.487 0.027 0.000 1.018 299 N HN 0.310 nan 8.380 nan 0.000 0.423 300 I N 0.289 120.714 120.570 -0.243 0.000 2.142 300 I HA -0.249 3.852 4.170 -0.115 0.000 0.240 300 I C 1.862 177.677 176.117 -0.503 0.000 1.078 300 I CA 0.861 61.787 61.300 -0.623 0.000 1.343 300 I CB -0.270 37.369 38.000 -0.602 0.000 1.046 300 I HN 0.032 nan 8.210 nan 0.000 0.405 301 L N 0.662 121.681 121.223 -0.339 0.000 2.046 301 L HA -0.171 4.100 4.340 -0.115 0.000 0.208 301 L C 2.435 179.098 176.870 -0.345 0.000 1.077 301 L CA 1.714 56.363 54.840 -0.319 0.000 0.747 301 L CB -0.918 41.018 42.059 -0.205 0.000 0.896 301 L HN 0.116 nan 8.230 nan 0.000 0.432 302 K N -0.672 119.563 120.400 -0.275 0.000 2.160 302 K HA -0.128 4.123 4.320 -0.115 0.000 0.206 302 K C 2.058 178.444 176.600 -0.357 0.000 1.047 302 K CA 1.206 57.330 56.287 -0.270 0.000 0.930 302 K CB -0.579 31.795 32.500 -0.211 0.000 0.720 302 K HN 0.237 nan 8.250 nan 0.000 0.450 303 V N 1.111 120.795 119.914 -0.383 0.000 2.341 303 V HA -0.096 3.955 4.120 -0.115 0.000 0.240 303 V C 2.247 177.912 176.094 -0.715 0.000 1.035 303 V CA 1.002 62.982 62.300 -0.533 0.000 1.033 303 V CB -0.270 31.421 31.823 -0.220 0.000 0.678 303 V HN 0.155 nan 8.190 nan 0.000 0.464 304 L N 1.177 122.013 121.223 -0.645 0.000 2.551 304 L HA -0.044 4.227 4.340 -0.115 0.000 0.228 304 L C 2.279 178.810 176.870 -0.564 0.000 1.153 304 L CA 0.748 55.122 54.840 -0.777 0.000 0.851 304 L CB -0.540 40.681 42.059 -1.398 0.000 0.959 304 L HN 0.454 nan 8.230 nan 0.000 0.451 305 V N -3.580 115.955 119.914 -0.632 0.000 3.141 305 V HA -0.072 3.979 4.120 -0.115 0.000 0.265 305 V C 1.579 177.423 176.094 -0.417 0.000 1.126 305 V CA 1.315 63.054 62.300 -0.935 0.000 1.141 305 V CB -0.659 30.551 31.823 -1.021 0.000 0.743 305 V HN 0.472 nan 8.190 nan 0.000 0.492 306 N N 1.347 119.836 118.700 -0.351 0.000 2.336 306 N HA 0.333 5.004 4.740 -0.115 0.000 0.189 306 N C 0.782 176.325 175.510 0.054 0.000 1.113 306 N CA 0.792 53.733 53.050 -0.182 0.000 0.858 306 N CB 0.530 38.805 38.487 -0.353 0.000 0.970 306 N HN 0.666 nan 8.380 nan 0.000 0.471 307 A N 1.671 124.568 122.820 0.129 0.000 2.351 307 A HA 0.357 4.609 4.320 -0.115 0.000 0.257 307 A C -1.234 176.611 177.584 0.435 0.000 1.087 307 A CA -1.032 51.278 52.037 0.456 0.000 0.798 307 A CB 0.505 19.820 19.000 0.524 0.000 1.033 307 A HN -0.091 nan 8.150 nan 0.000 0.488 308 P HA -0.119 nan 4.420 nan 0.000 0.216 308 P C 1.678 179.196 177.300 0.362 0.000 1.150 308 P CA 1.787 65.046 63.100 0.264 0.000 0.837 308 P CB 0.169 31.954 31.700 0.142 0.000 0.786 309 S N -1.443 114.486 115.700 0.382 0.000 2.370 309 S HA -0.173 4.229 4.470 -0.115 0.000 0.226 309 S C 1.596 176.307 174.600 0.186 0.000 1.033 309 S CA 0.987 59.337 58.200 0.250 0.000 1.011 309 S CB -1.166 62.105 63.200 0.117 0.000 0.852 309 S HN 0.148 nan 8.310 nan 0.000 0.457 310 F N 1.903 121.985 119.950 0.221 0.000 2.161 310 F HA -0.051 4.407 4.527 -0.114 0.000 0.300 310 F C 1.482 177.355 175.800 0.123 0.000 1.089 310 F CA 1.237 59.342 58.000 0.175 0.000 1.282 310 F CB 0.047 39.239 39.000 0.319 0.000 1.010 310 F HN 0.018 nan 8.300 nan 0.000 0.485 311 K N 0.983 121.491 120.400 0.179 0.000 2.684 311 K HA 0.058 4.309 4.320 -0.115 0.000 0.215 311 K C -0.082 176.574 176.600 0.093 0.000 1.073 311 K CA 0.055 56.389 56.287 0.078 0.000 1.197 311 K CB -0.308 32.306 32.500 0.190 0.000 0.955 311 K HN 0.183 nan 8.250 nan 0.000 0.473 312 N N 0.776 119.509 118.700 0.055 0.000 2.678 312 N HA -0.285 4.387 4.740 -0.115 0.000 0.249 312 N C -0.481 175.101 175.510 0.120 0.000 1.119 312 N CA 0.864 53.946 53.050 0.054 0.000 0.718 312 N CB -1.881 36.593 38.487 -0.022 0.000 1.060 312 N HN 0.465 nan 8.380 nan 0.000 0.552 313 Y N 1.404 121.762 120.300 0.096 0.000 2.802 313 Y HA -0.088 4.393 4.550 -0.114 0.000 0.333 313 Y C 1.151 177.120 175.900 0.115 0.000 1.244 313 Y CA 0.015 58.186 58.100 0.118 0.000 1.558 313 Y CB 0.417 38.980 38.460 0.171 0.000 1.233 313 Y HN 0.056 nan 8.280 nan 0.000 0.547 314 R N 7.850 128.023 120.500 -0.545 0.000 2.248 314 R HA 0.114 4.385 4.340 -0.115 0.000 0.337 314 R C -1.339 174.484 176.300 -0.794 0.000 1.085 314 R CA -0.385 55.370 56.100 -0.574 0.000 0.934 314 R CB -0.129 29.935 30.300 -0.393 0.000 1.034 314 R HN 0.745 nan 8.270 nan 0.000 0.465 315 Y N 1.369 121.458 120.300 -0.352 0.000 2.335 315 Y HA 0.257 4.738 4.550 -0.114 0.000 0.323 315 Y C 1.151 177.004 175.900 -0.079 0.000 1.224 315 Y CA -0.720 57.294 58.100 -0.144 0.000 1.241 315 Y CB 1.284 39.820 38.460 0.126 0.000 1.235 315 Y HN 0.491 nan 8.280 nan 0.000 0.492 316 S N -0.096 115.659 115.700 0.091 0.000 2.501 316 S HA -0.067 4.334 4.470 -0.115 0.000 0.220 316 S C 0.480 175.121 174.600 0.069 0.000 0.997 316 S CA 0.447 58.658 58.200 0.018 0.000 0.919 316 S CB -0.558 62.642 63.200 -0.000 0.000 0.778 316 S HN 0.863 nan 8.310 nan 0.000 0.523 317 N N 1.477 120.268 118.700 0.152 0.000 2.714 317 N HA -0.117 4.554 4.740 -0.115 0.000 0.250 317 N C -0.996 174.493 175.510 -0.035 0.000 1.117 317 N CA 1.105 54.256 53.050 0.169 0.000 0.719 317 N CB -1.077 37.669 38.487 0.432 0.000 1.081 317 N HN 0.647 nan 8.380 nan 0.000 0.557 318 K N -0.424 119.883 120.400 -0.154 0.000 3.088 318 K HA 0.190 4.442 4.320 -0.115 0.000 0.193 318 K C -2.490 174.042 176.600 -0.113 0.000 1.176 318 K CA -0.811 55.416 56.287 -0.100 0.000 0.907 318 K CB 2.250 34.730 32.500 -0.034 0.000 1.139 318 K HN 0.036 nan 8.250 nan 0.000 0.597 319 P HA 0.031 nan 4.420 nan 0.000 0.274 319 P C -0.407 176.833 177.300 -0.099 0.000 1.260 319 P CA -0.210 62.841 63.100 -0.083 0.000 0.793 319 P CB 0.754 32.449 31.700 -0.008 0.000 1.048 320 D N 1.097 121.363 120.400 -0.224 0.000 2.508 320 D HA 0.034 4.605 4.640 -0.115 0.000 0.224 320 D C 1.249 177.257 176.300 -0.487 0.000 1.171 320 D CA -0.243 53.568 54.000 -0.315 0.000 1.006 320 D CB -0.217 40.404 40.800 -0.297 0.000 1.073 320 D HN -0.009 nan 8.370 nan 0.000 0.513 321 L N 2.585 123.698 121.223 -0.183 0.000 2.012 321 L HA -0.166 4.105 4.340 -0.115 0.000 0.210 321 L C 2.011 178.845 176.870 -0.060 0.000 1.073 321 L CA 1.565 56.368 54.840 -0.063 0.000 0.748 321 L CB -0.992 41.100 42.059 0.056 0.000 0.891 321 L HN 0.363 nan 8.230 nan 0.000 0.431 322 E N -0.257 119.912 120.200 -0.051 0.000 2.058 322 E HA -0.249 4.032 4.350 -0.115 0.000 0.194 322 E C 2.230 178.819 176.600 -0.018 0.000 0.997 322 E CA 1.441 57.832 56.400 -0.015 0.000 0.801 322 E CB -0.162 29.530 29.700 -0.013 0.000 0.746 322 E HN 0.336 nan 8.360 nan 0.000 0.450 323 K N -0.078 120.280 120.400 -0.070 0.000 2.097 323 K HA -0.192 4.059 4.320 -0.115 0.000 0.206 323 K C 1.735 178.409 176.600 0.123 0.000 1.049 323 K CA 1.582 57.865 56.287 -0.006 0.000 0.933 323 K CB -0.101 32.378 32.500 -0.035 0.000 0.717 323 K HN 0.384 nan 8.250 nan 0.000 0.442 324 H N -1.082 118.029 119.070 0.067 0.000 2.436 324 H HA 0.044 4.531 4.556 -0.114 0.000 0.294 324 H C 2.012 177.337 175.328 -0.005 0.000 1.048 324 H CA 0.405 56.506 56.048 0.089 0.000 1.353 324 H CB 0.148 29.987 29.762 0.128 0.000 1.414 324 H HN 0.328 nan 8.280 nan 0.000 0.536 325 A N 1.652 124.521 122.820 0.081 0.000 1.978 325 A HA -0.186 4.065 4.320 -0.115 0.000 0.220 325 A C 2.095 179.722 177.584 0.073 0.000 1.170 325 A CA 1.370 53.413 52.037 0.011 0.000 0.636 325 A CB -0.231 18.801 19.000 0.054 0.000 0.810 325 A HN 0.292 nan 8.150 nan 0.000 0.448 326 K N -0.481 119.975 120.400 0.094 0.000 2.097 326 K HA -0.038 4.213 4.320 -0.115 0.000 0.205 326 K C 1.853 178.565 176.600 0.187 0.000 1.050 326 K CA 1.286 57.638 56.287 0.109 0.000 0.938 326 K CB -0.266 32.273 32.500 0.064 0.000 0.718 326 K HN 0.358 nan 8.250 nan 0.000 0.442 327 V N 1.326 121.358 119.914 0.195 0.000 2.427 327 V HA -0.217 3.834 4.120 -0.115 0.000 0.248 327 V C 2.352 178.608 176.094 0.269 0.000 1.051 327 V CA 1.955 64.404 62.300 0.248 0.000 1.048 327 V CB -0.598 31.411 31.823 0.311 0.000 0.666 327 V HN 0.310 nan 8.190 nan 0.000 0.456 328 A N -0.859 122.045 122.820 0.139 0.000 1.930 328 A HA -0.247 4.004 4.320 -0.115 0.000 0.217 328 A C 2.158 179.817 177.584 0.124 0.000 1.175 328 A CA 1.941 53.996 52.037 0.030 0.000 0.627 328 A CB -0.716 18.044 19.000 -0.401 0.000 0.815 328 A HN 0.669 nan 8.150 nan 0.000 0.443 329 Y N 0.485 120.806 120.300 0.034 0.000 2.163 329 Y HA -0.179 4.303 4.550 -0.114 0.000 0.288 329 Y C 2.380 178.323 175.900 0.072 0.000 1.136 329 Y CA 2.031 60.162 58.100 0.051 0.000 1.147 329 Y CB -0.041 38.447 38.460 0.046 0.000 0.987 329 Y HN 0.272 nan 8.280 nan 0.000 0.509 330 E N 0.738 121.111 120.200 0.289 0.000 2.058 330 E HA -0.258 4.023 4.350 -0.115 0.000 0.194 330 E C 2.431 179.071 176.600 0.067 0.000 0.997 330 E CA 1.238 57.741 56.400 0.171 0.000 0.801 330 E CB -0.842 28.980 29.700 0.203 0.000 0.746 330 E HN 0.605 nan 8.360 nan 0.000 0.450 331 A N 0.990 123.882 122.820 0.119 0.000 1.873 331 A HA -0.176 4.075 4.320 -0.115 0.000 0.218 331 A C 2.525 180.145 177.584 0.060 0.000 1.193 331 A CA 2.436 54.543 52.037 0.116 0.000 0.629 331 A CB -1.262 17.862 19.000 0.206 0.000 0.826 331 A HN 0.369 nan 8.150 nan 0.000 0.447 332 G N -0.873 107.939 108.800 0.020 0.000 2.418 332 G HA2 0.024 3.915 3.960 -0.115 0.000 0.217 332 G HA3 0.024 3.915 3.960 -0.115 0.000 0.217 332 G C 1.751 176.604 174.900 -0.079 0.000 1.158 332 G CA 1.480 46.571 45.100 -0.015 0.000 0.771 332 G HN 0.876 nan 8.290 nan 0.000 0.545 333 A N 0.845 123.543 122.820 -0.203 0.000 1.908 333 A HA -0.065 4.186 4.320 -0.115 0.000 0.218 333 A C 2.103 179.643 177.584 -0.074 0.000 1.181 333 A CA 1.825 53.735 52.037 -0.212 0.000 0.627 333 A CB -0.313 18.517 19.000 -0.282 0.000 0.818 333 A HN 0.456 nan 8.150 nan 0.000 0.445 334 E N -1.206 118.981 120.200 -0.022 0.000 2.489 334 E HA 0.056 4.337 4.350 -0.115 0.000 0.193 334 E C 1.523 178.152 176.600 0.048 0.000 1.057 334 E CA 0.361 56.769 56.400 0.013 0.000 0.866 334 E CB 0.053 29.772 29.700 0.032 0.000 0.916 334 E HN 0.608 nan 8.360 nan 0.000 0.500 335 G N 0.718 109.560 108.800 0.069 0.000 3.044 335 G HA2 0.075 3.966 3.960 -0.115 0.000 0.223 335 G HA3 0.075 3.966 3.960 -0.115 0.000 0.223 335 G C 0.607 175.646 174.900 0.232 0.000 1.123 335 G CA -0.215 44.976 45.100 0.151 0.000 0.765 335 G HN -0.045 nan 8.290 nan 0.000 0.546 336 V N 1.550 121.531 119.914 0.111 0.000 2.637 336 V HA 0.226 4.277 4.120 -0.115 0.000 0.296 336 V C 0.038 176.122 176.094 -0.016 0.000 1.046 336 V CA -0.163 62.169 62.300 0.052 0.000 1.066 336 V CB 1.619 33.424 31.823 -0.029 0.000 0.968 336 V HN -0.030 nan 8.190 nan 0.000 0.483 337 V N 6.445 126.303 119.914 -0.093 0.000 2.357 337 V HA 0.307 4.358 4.120 -0.115 0.000 0.284 337 V C -0.152 175.801 176.094 -0.235 0.000 1.018 337 V CA -0.627 61.579 62.300 -0.156 0.000 0.841 337 V CB 1.476 33.208 31.823 -0.150 0.000 0.991 337 V HN 0.659 nan 8.190 nan 0.000 0.437 338 L N 5.976 127.056 121.223 -0.238 0.000 2.325 338 L HA 0.335 4.607 4.340 -0.115 0.000 0.284 338 L C 0.652 177.373 176.870 -0.247 0.000 1.089 338 L CA 0.751 55.457 54.840 -0.223 0.000 0.836 338 L CB 0.386 42.306 42.059 -0.232 0.000 1.184 338 L HN 0.608 nan 8.230 nan 0.000 0.444 339 L N 4.114 125.192 121.223 -0.242 0.000 2.357 339 L HA 0.312 4.583 4.340 -0.115 0.000 0.211 339 L C 0.888 177.712 176.870 -0.078 0.000 1.075 339 L CA 0.115 54.773 54.840 -0.303 0.000 0.830 339 L CB -0.001 41.645 42.059 -0.690 0.000 0.996 339 L HN 0.618 nan 8.230 nan 0.000 0.467 340 R N 0.128 120.611 120.500 -0.029 0.000 2.566 340 R HA 0.286 4.557 4.340 -0.115 0.000 0.271 340 R C -1.616 174.720 176.300 0.060 0.000 1.071 340 R CA -0.438 55.700 56.100 0.063 0.000 0.915 340 R CB 1.494 31.849 30.300 0.091 0.000 1.228 340 R HN -0.154 nan 8.270 nan 0.000 0.449 341 N N 2.580 121.323 118.700 0.073 0.000 2.751 341 N HA 0.075 4.746 4.740 -0.115 0.000 0.238 341 N C -1.546 174.002 175.510 0.063 0.000 1.351 341 N CA -0.304 52.792 53.050 0.077 0.000 0.751 341 N CB 1.146 39.693 38.487 0.101 0.000 1.342 341 N HN 0.503 nan 8.380 nan 0.000 0.540 342 E N 2.052 122.287 120.200 0.058 0.000 1.892 342 E HA 0.085 4.367 4.350 -0.115 0.000 0.271 342 E C -0.351 176.266 176.600 0.028 0.000 1.146 342 E CA -0.017 56.408 56.400 0.042 0.000 1.096 342 E CB -0.305 29.421 29.700 0.044 0.000 1.155 342 E HN 0.533 nan 8.360 nan 0.000 0.458 343 E N 0.237 120.449 120.200 0.021 0.000 2.269 343 E HA -0.286 3.996 4.350 -0.115 0.000 0.223 343 E C 0.385 176.987 176.600 0.003 0.000 1.244 343 E CA 0.569 56.971 56.400 0.004 0.000 0.713 343 E CB -1.096 28.601 29.700 -0.005 0.000 1.178 343 E HN 0.518 nan 8.360 nan 0.000 0.370 344 A N -0.280 122.549 122.820 0.015 0.000 2.138 344 A HA 0.400 4.651 4.320 -0.115 0.000 0.203 344 A C 0.559 178.141 177.584 -0.004 0.000 1.286 344 A CA 0.161 52.210 52.037 0.019 0.000 0.929 344 A CB 0.815 19.844 19.000 0.048 0.000 0.975 344 A HN 0.145 nan 8.150 nan 0.000 0.480 345 L N 0.865 122.077 121.223 -0.019 0.000 2.354 345 L HA 0.462 4.733 4.340 -0.115 0.000 0.264 345 L C -2.540 174.074 176.870 -0.427 0.000 1.008 345 L CA -2.407 52.368 54.840 -0.108 0.000 0.819 345 L CB 2.647 44.779 42.059 0.123 0.000 1.339 345 L HN 0.017 nan 8.230 nan 0.000 0.420 346 P HA 0.203 nan 4.420 nan 0.000 0.276 346 P C -0.846 176.331 177.300 -0.204 0.000 1.261 346 P CA -0.479 62.331 63.100 -0.482 0.000 0.800 346 P CB 0.780 32.149 31.700 -0.553 0.000 1.066 347 L N 0.615 121.782 121.223 -0.094 0.000 2.456 347 L HA 0.083 4.354 4.340 -0.115 0.000 0.272 347 L C 1.169 178.012 176.870 -0.045 0.000 1.189 347 L CA -0.104 54.711 54.840 -0.043 0.000 0.846 347 L CB -0.143 41.914 42.059 -0.003 0.000 1.111 347 L HN 0.396 nan 8.230 nan 0.000 0.475 348 S N 1.250 116.932 115.700 -0.030 0.000 2.576 348 S HA -0.063 4.338 4.470 -0.115 0.000 0.272 348 S C 1.021 175.615 174.600 -0.009 0.000 1.352 348 S CA -0.471 57.714 58.200 -0.024 0.000 1.021 348 S CB 1.142 64.334 63.200 -0.014 0.000 0.887 348 S HN 0.679 nan 8.310 nan 0.000 0.542 349 E N 2.766 122.960 120.200 -0.009 0.000 2.049 349 E HA -0.256 4.025 4.350 -0.115 0.000 0.198 349 E C 1.960 178.564 176.600 0.008 0.000 1.007 349 E CA 2.129 58.529 56.400 0.000 0.000 0.809 349 E CB -0.281 29.418 29.700 -0.001 0.000 0.749 349 E HN 0.743 nan 8.360 nan 0.000 0.450 350 N N 0.256 118.960 118.700 0.006 0.000 2.120 350 N HA -0.116 4.555 4.740 -0.115 0.000 0.188 350 N C 0.300 175.821 175.510 0.018 0.000 1.024 350 N CA 0.912 53.967 53.050 0.009 0.000 0.852 350 N CB -0.854 37.635 38.487 0.005 0.000 1.003 350 N HN -0.073 nan 8.380 nan 0.000 0.424 351 S N 1.259 116.972 115.700 0.021 0.000 3.566 351 S HA -0.116 4.286 4.470 -0.115 0.000 0.426 351 S C -0.057 174.571 174.600 0.047 0.000 1.154 351 S CA 0.531 58.753 58.200 0.035 0.000 0.946 351 S CB -0.114 63.107 63.200 0.035 0.000 0.666 351 S HN 0.342 nan 8.310 nan 0.000 0.494 352 K N 3.390 123.823 120.400 0.055 0.000 2.264 352 K HA 0.405 4.656 4.320 -0.115 0.000 0.277 352 K C -0.390 176.267 176.600 0.094 0.000 1.067 352 K CA -0.120 56.202 56.287 0.059 0.000 0.900 352 K CB 0.790 33.313 32.500 0.038 0.000 1.124 352 K HN 0.470 nan 8.250 nan 0.000 0.469 353 I N 2.538 123.168 120.570 0.100 0.000 2.342 353 I HA 0.202 4.303 4.170 -0.115 0.000 0.291 353 I C 0.166 176.334 176.117 0.085 0.000 1.010 353 I CA -0.622 60.738 61.300 0.099 0.000 1.308 353 I CB 1.498 39.549 38.000 0.086 0.000 1.400 353 I HN 0.612 nan 8.210 nan 0.000 0.488 354 A N 7.503 130.361 122.820 0.064 0.000 2.260 354 A HA 0.526 4.777 4.320 -0.115 0.000 0.312 354 A C -0.705 176.679 177.584 -0.333 0.000 1.321 354 A CA -0.408 51.574 52.037 -0.091 0.000 0.928 354 A CB 0.388 19.462 19.000 0.122 0.000 1.158 354 A HN 0.585 nan 8.150 nan 0.000 0.542 355 L N 4.064 125.045 121.223 -0.404 0.000 2.257 355 L HA 0.689 4.960 4.340 -0.115 0.000 0.290 355 L C -1.097 175.389 176.870 -0.639 0.000 1.044 355 L CA -0.088 54.524 54.840 -0.380 0.000 0.810 355 L CB -0.268 41.635 42.059 -0.260 0.000 1.193 355 L HN 0.576 nan 8.230 nan 0.000 0.425 356 F N 2.764 122.586 119.950 -0.213 0.000 2.557 356 F HA 0.844 5.302 4.527 -0.115 0.000 0.336 356 F C 0.947 176.585 175.800 -0.271 0.000 1.058 356 F CA -0.266 57.611 58.000 -0.205 0.000 0.988 356 F CB 1.649 40.606 39.000 -0.072 0.000 1.275 356 F HN 0.656 nan 8.300 nan 0.000 0.488 357 G N 0.558 109.419 108.800 0.102 0.000 3.190 357 G HA2 -0.172 3.719 3.960 -0.115 0.000 0.686 357 G HA3 -0.172 3.719 3.960 -0.115 0.000 0.686 357 G C 0.211 175.118 174.900 0.012 0.000 1.033 357 G CA -0.340 44.806 45.100 0.076 0.000 0.797 357 G HN 0.873 nan 8.290 nan 0.000 0.567 358 T N 1.142 115.844 114.554 0.247 0.000 3.007 358 T HA 0.062 4.343 4.350 -0.115 0.000 0.270 358 T C 2.420 177.173 174.700 0.088 0.000 1.107 358 T CA 2.492 64.756 62.100 0.273 0.000 1.118 358 T CB -0.379 68.672 68.868 0.305 0.000 0.889 358 T HN 1.499 nan 8.240 nan 0.000 0.506 359 G N 0.847 109.665 108.800 0.029 0.000 2.848 359 G HA2 -0.070 3.821 3.960 -0.115 0.000 0.208 359 G HA3 -0.070 3.821 3.960 -0.115 0.000 0.208 359 G C 1.345 176.218 174.900 -0.044 0.000 1.152 359 G CA 0.438 45.535 45.100 -0.004 0.000 0.789 359 G HN 0.697 nan 8.290 nan 0.000 0.531 360 Q N -0.530 119.212 119.800 -0.097 0.000 2.291 360 Q HA 0.085 4.356 4.340 -0.115 0.000 0.205 360 Q C 1.917 177.855 176.000 -0.103 0.000 0.970 360 Q CA 0.977 56.698 55.803 -0.137 0.000 0.876 360 Q CB -0.173 28.414 28.738 -0.251 0.000 0.935 360 Q HN 0.523 nan 8.270 nan 0.000 0.455 361 I N 0.228 120.761 120.570 -0.062 0.000 3.565 361 I HA 0.011 4.112 4.170 -0.115 0.000 0.287 361 I C 0.633 176.745 176.117 -0.009 0.000 1.193 361 I CA -0.045 61.237 61.300 -0.030 0.000 1.402 361 I CB 0.539 38.541 38.000 0.003 0.000 1.284 361 I HN 0.084 nan 8.210 nan 0.000 0.454 362 E N 2.447 122.649 120.200 0.003 0.000 2.261 362 E HA 0.123 4.404 4.350 -0.115 0.000 0.308 362 E C -0.474 176.126 176.600 -0.001 0.000 1.400 362 E CA -0.079 56.325 56.400 0.007 0.000 1.542 362 E CB -0.062 29.648 29.700 0.017 0.000 1.369 362 E HN 0.180 nan 8.360 nan 0.000 0.493 363 T N 2.243 116.793 114.554 -0.007 0.000 2.834 363 T HA 0.093 4.374 4.350 -0.115 0.000 0.298 363 T C 0.505 175.203 174.700 -0.003 0.000 0.966 363 T CA -0.255 61.840 62.100 -0.007 0.000 1.141 363 T CB 0.484 69.347 68.868 -0.009 0.000 0.905 363 T HN 0.156 nan 8.240 nan 0.000 0.535 364 I N 5.022 125.589 120.570 -0.005 0.000 2.363 364 I HA 0.151 4.253 4.170 -0.115 0.000 0.292 364 I C 1.446 177.557 176.117 -0.009 0.000 1.075 364 I CA -0.283 61.008 61.300 -0.016 0.000 1.333 364 I CB 0.816 38.800 38.000 -0.026 0.000 1.415 364 I HN 0.774 nan 8.210 nan 0.000 0.502 365 K N 4.900 125.289 120.400 -0.018 0.000 2.361 365 K HA 0.367 4.618 4.320 -0.115 0.000 0.196 365 K C 0.612 177.201 176.600 -0.018 0.000 1.039 365 K CA 0.298 56.582 56.287 -0.006 0.000 1.001 365 K CB 0.528 33.023 32.500 -0.008 0.000 0.795 365 K HN 0.692 nan 8.250 nan 0.000 0.495 366 G N -0.319 108.434 108.800 -0.079 0.000 2.328 366 G HA2 0.346 4.237 3.960 -0.115 0.000 0.299 366 G HA3 0.346 4.237 3.960 -0.115 0.000 0.299 366 G C -0.781 173.904 174.900 -0.360 0.000 1.435 366 G CA -0.702 44.297 45.100 -0.168 0.000 0.865 366 G HN 0.229 nan 8.290 nan 0.000 0.601 367 G N -0.847 107.417 108.800 -0.893 0.000 2.651 367 G HA2 0.651 4.542 3.960 -0.115 0.000 0.260 367 G HA3 0.651 4.542 3.960 -0.115 0.000 0.260 367 G C 0.720 175.409 174.900 -0.353 0.000 1.216 367 G CA 0.790 45.294 45.100 -0.993 0.000 0.913 367 G HN 1.521 nan 8.290 nan 0.000 0.535 368 T N -2.839 111.632 114.554 -0.139 0.000 2.862 368 T HA 0.753 5.034 4.350 -0.115 0.000 0.276 368 T C 0.779 175.569 174.700 0.150 0.000 0.974 368 T CA 0.471 62.592 62.100 0.036 0.000 0.966 368 T CB 1.289 70.195 68.868 0.065 0.000 1.072 368 T HN 2.328 nan 8.240 nan 0.000 0.538 369 G N 0.481 109.360 108.800 0.133 0.000 2.428 369 G HA2 -0.088 3.803 3.960 -0.115 0.000 0.202 369 G HA3 -0.088 3.803 3.960 -0.115 0.000 0.202 369 G C 0.753 175.704 174.900 0.085 0.000 1.247 369 G CA 0.469 45.645 45.100 0.126 0.000 1.020 369 G HN 1.714 nan 8.290 nan 0.000 0.529 370 S N -0.466 115.267 115.700 0.054 0.000 2.507 370 S HA 0.240 4.642 4.470 -0.115 0.000 0.235 370 S C 2.087 176.684 174.600 -0.005 0.000 0.988 370 S CA 1.664 59.863 58.200 -0.002 0.000 0.944 370 S CB 0.097 63.256 63.200 -0.069 0.000 0.762 370 S HN 2.063 nan 8.310 nan 0.000 0.526 371 G N 0.455 109.284 108.800 0.048 0.000 3.042 371 G HA2 0.143 4.034 3.960 -0.115 0.000 0.212 371 G HA3 0.143 4.034 3.960 -0.115 0.000 0.212 371 G C 0.062 175.008 174.900 0.078 0.000 1.166 371 G CA -0.251 44.884 45.100 0.058 0.000 0.767 371 G HN 0.448 nan 8.290 nan 0.000 0.546 372 D N 0.791 121.209 120.400 0.030 0.000 2.377 372 D HA 0.501 5.073 4.640 -0.115 0.000 0.245 372 D C 0.557 176.748 176.300 -0.182 0.000 1.196 372 D CA 0.269 54.240 54.000 -0.048 0.000 0.962 372 D CB 1.200 41.977 40.800 -0.038 0.000 1.127 372 D HN 0.159 nan 8.370 nan 0.000 0.471 373 T N -1.869 112.515 114.554 -0.283 0.000 2.868 373 T HA 0.535 4.816 4.350 -0.115 0.000 0.306 373 T C -1.025 173.394 174.700 -0.468 0.000 1.224 373 T CA -0.881 60.992 62.100 -0.379 0.000 1.012 373 T CB 0.991 69.794 68.868 -0.110 0.000 1.221 373 T HN 0.424 nan 8.240 nan 0.000 0.499 374 H N 1.189 120.296 119.070 0.062 0.000 2.541 374 H HA 0.473 4.960 4.556 -0.115 0.000 0.246 374 H C -2.602 172.810 175.328 0.140 0.000 1.341 374 H CA -1.604 54.496 56.048 0.087 0.000 1.469 374 H CB 0.769 30.584 29.762 0.089 0.000 1.472 374 H HN 0.413 nan 8.280 nan 0.000 0.503 375 P HA 0.104 nan 4.420 nan 0.000 0.279 375 P C 0.754 177.965 177.300 -0.148 0.000 1.252 375 P CA -0.701 62.387 63.100 -0.020 0.000 0.811 375 P CB 1.916 33.501 31.700 -0.192 0.000 1.035 376 R N 0.662 120.879 120.500 -0.472 0.000 2.193 376 R HA -0.088 4.183 4.340 -0.115 0.000 0.229 376 R C 0.113 176.252 176.300 -0.267 0.000 1.110 376 R CA 1.346 56.935 56.100 -0.851 0.000 0.988 376 R CB -0.195 29.602 30.300 -0.839 0.000 0.871 376 R HN 0.676 nan 8.270 nan 0.000 0.458 377 Y N -4.890 115.299 120.300 -0.184 0.000 2.713 377 Y HA 0.633 5.114 4.550 -0.115 0.000 0.335 377 Y C -1.823 174.043 175.900 -0.055 0.000 1.222 377 Y CA -1.317 56.722 58.100 -0.102 0.000 1.061 377 Y CB 0.979 39.380 38.460 -0.099 0.000 1.314 377 Y HN -0.156 nan 8.280 nan 0.000 0.453 378 A N 2.759 125.695 122.820 0.193 0.000 2.599 378 A HA 0.596 4.847 4.320 -0.115 0.000 0.281 378 A C -1.610 176.066 177.584 0.154 0.000 1.137 378 A CA -0.612 51.493 52.037 0.112 0.000 0.767 378 A CB 0.280 19.295 19.000 0.025 0.000 1.266 378 A HN 0.591 nan 8.150 nan 0.000 0.420 379 I N 3.208 123.897 120.570 0.198 0.000 2.578 379 I HA 0.085 4.187 4.170 -0.115 0.000 0.286 379 I C 1.409 177.555 176.117 0.048 0.000 1.126 379 I CA 0.537 61.900 61.300 0.105 0.000 1.380 379 I CB -0.286 37.775 38.000 0.100 0.000 1.408 379 I HN 0.753 nan 8.210 nan 0.000 0.532 380 S N 6.494 122.203 115.700 0.015 0.000 2.596 380 S HA 0.279 4.680 4.470 -0.115 0.000 0.260 380 S C 1.368 175.948 174.600 -0.034 0.000 1.336 380 S CA -0.517 57.676 58.200 -0.012 0.000 0.993 380 S CB 1.147 64.331 63.200 -0.027 0.000 0.923 380 S HN 0.501 nan 8.310 nan 0.000 0.567 381 I N 0.423 120.963 120.570 -0.050 0.000 2.226 381 I HA -0.130 3.971 4.170 -0.115 0.000 0.245 381 I C 2.363 178.406 176.117 -0.123 0.000 1.100 381 I CA 1.104 62.362 61.300 -0.071 0.000 1.374 381 I CB -0.469 37.488 38.000 -0.073 0.000 1.057 381 I HN 0.615 nan 8.210 nan 0.000 0.413 382 L N 1.071 122.200 121.223 -0.157 0.000 1.994 382 L HA -0.200 4.071 4.340 -0.115 0.000 0.208 382 L C 2.322 179.042 176.870 -0.250 0.000 1.071 382 L CA 1.915 56.604 54.840 -0.252 0.000 0.745 382 L CB -0.757 41.162 42.059 -0.235 0.000 0.892 382 L HN 0.181 nan 8.230 nan 0.000 0.431 383 E N -0.490 119.619 120.200 -0.151 0.000 2.118 383 E HA -0.179 4.102 4.350 -0.115 0.000 0.195 383 E C 2.062 178.603 176.600 -0.098 0.000 0.992 383 E CA 0.968 57.300 56.400 -0.114 0.000 0.804 383 E CB -0.544 29.116 29.700 -0.065 0.000 0.741 383 E HN 0.712 nan 8.360 nan 0.000 0.458 384 G N 1.339 110.091 108.800 -0.079 0.000 2.418 384 G HA2 -0.236 3.655 3.960 -0.115 0.000 0.217 384 G HA3 -0.236 3.655 3.960 -0.115 0.000 0.217 384 G C 1.594 176.459 174.900 -0.059 0.000 1.158 384 G CA 0.568 45.642 45.100 -0.044 0.000 0.771 384 G HN 0.134 nan 8.290 nan 0.000 0.545 385 I N 0.185 120.683 120.570 -0.120 0.000 2.315 385 I HA -0.116 3.985 4.170 -0.115 0.000 0.248 385 I C 2.796 178.845 176.117 -0.112 0.000 1.117 385 I CA 0.989 62.211 61.300 -0.129 0.000 1.404 385 I CB -0.144 37.722 38.000 -0.224 0.000 1.071 385 I HN 0.131 nan 8.210 nan 0.000 0.419 386 K N 0.711 120.998 120.400 -0.189 0.000 2.002 386 K HA -0.248 4.004 4.320 -0.115 0.000 0.209 386 K C 2.076 178.686 176.600 0.017 0.000 1.048 386 K CA 1.675 57.936 56.287 -0.043 0.000 0.930 386 K CB -0.246 32.214 32.500 -0.065 0.000 0.714 386 K HN 0.250 nan 8.250 nan 0.000 0.438 387 E N 0.573 120.761 120.200 -0.020 0.000 2.097 387 E HA -0.227 4.054 4.350 -0.115 0.000 0.196 387 E C 1.869 178.472 176.600 0.004 0.000 1.000 387 E CA 1.277 57.669 56.400 -0.013 0.000 0.804 387 E CB 0.171 29.852 29.700 -0.032 0.000 0.740 387 E HN -0.001 nan 8.360 nan 0.000 0.454 388 R N -0.845 119.662 120.500 0.013 0.000 2.299 388 R HA 0.093 4.364 4.340 -0.115 0.000 0.197 388 R C 0.825 177.150 176.300 0.042 0.000 0.971 388 R CA 0.770 56.885 56.100 0.026 0.000 1.030 388 R CB -0.068 30.251 30.300 0.032 0.000 0.932 388 R HN 0.306 nan 8.270 nan 0.000 0.477 389 G N 0.768 109.605 108.800 0.063 0.000 2.272 389 G HA2 -0.265 3.626 3.960 -0.115 0.000 0.280 389 G HA3 -0.265 3.626 3.960 -0.115 0.000 0.280 389 G C -0.086 174.875 174.900 0.102 0.000 1.067 389 G CA 0.182 45.335 45.100 0.089 0.000 0.902 389 G HN 0.207 nan 8.290 nan 0.000 0.500 390 L N -0.634 120.669 121.223 0.133 0.000 2.466 390 L HA 0.279 4.550 4.340 -0.115 0.000 0.257 390 L C 0.693 177.679 176.870 0.193 0.000 1.189 390 L CA -0.827 54.093 54.840 0.134 0.000 0.813 390 L CB 0.299 42.425 42.059 0.111 0.000 1.118 390 L HN 0.024 nan 8.230 nan 0.000 0.471 391 N N 2.227 120.998 118.700 0.119 0.000 3.050 391 N HA 0.160 4.831 4.740 -0.115 0.000 0.289 391 N C -0.587 174.974 175.510 0.086 0.000 1.209 391 N CA 0.017 53.102 53.050 0.059 0.000 1.154 391 N CB -0.367 38.134 38.487 0.023 0.000 1.444 391 N HN 0.335 nan 8.380 nan 0.000 0.529 392 F N -1.197 118.747 119.950 -0.010 0.000 2.403 392 F HA 0.418 4.877 4.527 -0.115 0.000 0.326 392 F C 0.564 176.353 175.800 -0.018 0.000 1.081 392 F CA -1.375 56.612 58.000 -0.022 0.000 1.041 392 F CB 0.740 39.717 39.000 -0.038 0.000 1.234 392 F HN -0.062 nan 8.300 nan 0.000 0.503 393 D N 2.384 122.803 120.400 0.031 0.000 2.348 393 D HA 0.033 4.604 4.640 -0.115 0.000 0.259 393 D C 0.545 176.815 176.300 -0.050 0.000 1.296 393 D CA 0.214 54.180 54.000 -0.057 0.000 0.931 393 D CB 0.814 41.623 40.800 0.014 0.000 1.067 393 D HN 0.707 nan 8.370 nan 0.000 0.503 394 E N 2.667 122.694 120.200 -0.288 0.000 2.150 394 E HA -0.148 4.133 4.350 -0.115 0.000 0.193 394 E C 1.560 178.177 176.600 0.028 0.000 0.985 394 E CA 0.691 56.982 56.400 -0.182 0.000 0.814 394 E CB 0.022 29.547 29.700 -0.292 0.000 0.752 394 E HN 0.617 nan 8.360 nan 0.000 0.466 395 E N 0.197 120.399 120.200 0.003 0.000 2.106 395 E HA -0.162 4.119 4.350 -0.115 0.000 0.192 395 E C 1.793 178.444 176.600 0.085 0.000 0.984 395 E CA 0.544 56.968 56.400 0.039 0.000 0.806 395 E CB 0.016 29.727 29.700 0.019 0.000 0.750 395 E HN 0.186 nan 8.360 nan 0.000 0.458 396 L N 0.628 121.907 121.223 0.094 0.000 2.056 396 L HA -0.021 4.250 4.340 -0.115 0.000 0.207 396 L C 2.194 179.208 176.870 0.241 0.000 1.078 396 L CA 2.085 57.009 54.840 0.140 0.000 0.749 396 L CB -0.761 41.330 42.059 0.054 0.000 0.901 396 L HN 0.142 nan 8.230 nan 0.000 0.433 397 A N -0.565 122.391 122.820 0.228 0.000 1.940 397 A HA -0.242 4.009 4.320 -0.115 0.000 0.219 397 A C 2.313 180.028 177.584 0.219 0.000 1.176 397 A CA 1.992 54.168 52.037 0.231 0.000 0.631 397 A CB -0.504 18.680 19.000 0.307 0.000 0.814 397 A HN 0.520 nan 8.150 nan 0.000 0.446 398 K N -1.034 119.475 120.400 0.182 0.000 2.097 398 K HA -0.083 4.168 4.320 -0.115 0.000 0.205 398 K C 2.092 178.776 176.600 0.139 0.000 1.050 398 K CA 1.630 57.998 56.287 0.136 0.000 0.938 398 K CB -0.411 32.148 32.500 0.098 0.000 0.718 398 K HN 0.433 nan 8.250 nan 0.000 0.442 399 T N 0.482 115.130 114.554 0.157 0.000 2.720 399 T HA -0.169 4.112 4.350 -0.115 0.000 0.268 399 T C 1.579 176.363 174.700 0.140 0.000 1.037 399 T CA 1.400 63.583 62.100 0.138 0.000 1.144 399 T CB -0.317 68.632 68.868 0.134 0.000 0.864 399 T HN 0.210 nan 8.240 nan 0.000 0.444 400 Y N 1.375 121.768 120.300 0.156 0.000 2.163 400 Y HA -0.066 4.415 4.550 -0.115 0.000 0.288 400 Y C 2.583 178.540 175.900 0.095 0.000 1.136 400 Y CA 1.175 59.370 58.100 0.157 0.000 1.147 400 Y CB -0.198 38.349 38.460 0.145 0.000 0.987 400 Y HN 0.293 nan 8.280 nan 0.000 0.509 401 E N -0.017 120.319 120.200 0.227 0.000 2.070 401 E HA -0.251 4.030 4.350 -0.115 0.000 0.197 401 E C 1.613 178.253 176.600 0.066 0.000 1.004 401 E CA 1.631 58.104 56.400 0.122 0.000 0.805 401 E CB -0.148 29.608 29.700 0.093 0.000 0.744 401 E HN 0.490 nan 8.360 nan 0.000 0.451 402 D N -0.383 120.054 120.400 0.062 0.000 2.144 402 D HA -0.150 4.421 4.640 -0.115 0.000 0.200 402 D C 1.695 177.980 176.300 -0.026 0.000 0.978 402 D CA 0.757 54.768 54.000 0.018 0.000 0.833 402 D CB -0.366 40.452 40.800 0.029 0.000 0.961 402 D HN 0.226 nan 8.370 nan 0.000 0.470 403 Y N 1.583 121.771 120.300 -0.185 0.000 2.145 403 Y HA -0.162 4.319 4.550 -0.115 0.000 0.286 403 Y C 2.138 177.868 175.900 -0.283 0.000 1.145 403 Y CA 1.291 59.177 58.100 -0.356 0.000 1.148 403 Y CB -0.383 37.606 38.460 -0.785 0.000 0.981 403 Y HN -0.122 nan 8.280 nan 0.000 0.507 404 I N 0.426 120.859 120.570 -0.228 0.000 2.113 404 I HA -0.340 3.761 4.170 -0.115 0.000 0.238 404 I C 2.556 178.534 176.117 -0.232 0.000 1.070 404 I CA 2.032 63.183 61.300 -0.248 0.000 1.332 404 I CB -0.547 37.436 38.000 -0.027 0.000 1.044 404 I HN 0.144 nan 8.210 nan 0.000 0.402 405 K N 1.509 121.831 120.400 -0.130 0.000 2.063 405 K HA -0.271 3.980 4.320 -0.115 0.000 0.208 405 K C 2.216 178.741 176.600 -0.125 0.000 1.048 405 K CA 1.745 57.974 56.287 -0.095 0.000 0.928 405 K CB -0.091 32.380 32.500 -0.049 0.000 0.713 405 K HN 0.129 nan 8.250 nan 0.000 0.442 406 K N 0.234 120.531 120.400 -0.171 0.000 2.009 406 K HA -0.162 4.089 4.320 -0.115 0.000 0.210 406 K C 1.938 178.424 176.600 -0.189 0.000 1.049 406 K CA 2.031 58.218 56.287 -0.167 0.000 0.929 406 K CB -0.045 32.343 32.500 -0.186 0.000 0.714 406 K HN 0.196 nan 8.250 nan 0.000 0.440 407 M N -0.052 119.353 119.600 -0.326 0.000 2.447 407 M HA 0.028 4.439 4.480 -0.115 0.000 0.264 407 M C 1.774 178.001 176.300 -0.123 0.000 1.095 407 M CA 0.490 55.619 55.300 -0.285 0.000 1.125 407 M CB 0.118 32.349 32.600 -0.615 0.000 1.389 407 M HN 0.018 nan 8.290 nan 0.000 0.459 408 R N 0.941 121.362 120.500 -0.132 0.000 2.189 408 R HA -0.051 4.220 4.340 -0.115 0.000 0.223 408 R C 1.823 178.113 176.300 -0.017 0.000 1.092 408 R CA 0.909 56.981 56.100 -0.047 0.000 0.989 408 R CB -0.492 29.776 30.300 -0.054 0.000 0.876 408 R HN 0.440 nan 8.270 nan 0.000 0.457 409 E N 0.430 120.610 120.200 -0.033 0.000 2.447 409 E HA -0.025 4.256 4.350 -0.115 0.000 0.195 409 E C -0.235 176.363 176.600 -0.004 0.000 1.028 409 E CA 0.196 56.586 56.400 -0.018 0.000 0.876 409 E CB 0.274 29.958 29.700 -0.027 0.000 0.885 409 E HN -0.099 nan 8.360 nan 0.000 0.500 410 T N 0.990 115.551 114.554 0.011 0.000 2.910 410 T HA 0.040 4.321 4.350 -0.115 0.000 0.293 410 T C 0.976 175.699 174.700 0.037 0.000 1.015 410 T CA -0.399 61.723 62.100 0.037 0.000 1.094 410 T CB 1.090 70.008 68.868 0.083 0.000 0.968 410 T HN 0.003 nan 8.240 nan 0.000 0.521 411 E N 2.341 122.545 120.200 0.007 0.000 2.097 411 E HA -0.162 4.119 4.350 -0.115 0.000 0.196 411 E C 1.768 178.324 176.600 -0.074 0.000 1.000 411 E CA 1.476 57.861 56.400 -0.025 0.000 0.804 411 E CB 0.044 29.727 29.700 -0.028 0.000 0.740 411 E HN 0.814 nan 8.360 nan 0.000 0.454 412 E N -1.127 118.994 120.200 -0.132 0.000 2.358 412 E HA -0.125 4.157 4.350 -0.115 0.000 0.195 412 E C 0.196 176.456 176.600 -0.567 0.000 1.010 412 E CA 0.534 56.706 56.400 -0.381 0.000 0.856 412 E CB 0.134 29.514 29.700 -0.534 0.000 0.795 412 E HN 0.220 nan 8.360 nan 0.000 0.504 413 Y N 0.145 120.420 120.300 -0.042 0.000 2.698 413 Y HA 0.233 4.714 4.550 -0.115 0.000 0.261 413 Y C -0.613 175.257 175.900 -0.050 0.000 1.104 413 Y CA -0.760 57.310 58.100 -0.050 0.000 1.145 413 Y CB 0.372 38.787 38.460 -0.075 0.000 1.191 413 Y HN -0.136 nan 8.280 nan 0.000 0.564 414 K N -0.355 120.072 120.400 0.046 0.000 2.156 414 K HA 0.666 4.917 4.320 -0.115 0.000 0.254 414 K C -3.190 173.416 176.600 0.010 0.000 0.950 414 K CA -2.043 54.259 56.287 0.025 0.000 0.849 414 K CB 1.607 34.113 32.500 0.010 0.000 1.100 414 K HN -0.193 nan 8.250 nan 0.000 0.434 415 P HA 0.083 nan 4.420 nan 0.000 0.268 415 P C -0.944 176.357 177.300 0.002 0.000 1.208 415 P CA -0.154 62.950 63.100 0.006 0.000 0.777 415 P CB 0.541 32.246 31.700 0.009 0.000 0.875 425 K N 4.067 124.459 120.400 -0.013 0.000 2.307 425 K HA 0.673 4.924 4.320 -0.115 0.000 0.263 425 K C -2.622 173.992 176.600 0.024 0.000 0.973 425 K CA -1.509 54.784 56.287 0.010 0.000 0.846 425 K CB 1.333 33.842 32.500 0.015 0.000 1.100 425 K HN 0.436 nan 8.250 nan 0.000 0.438 426 P HA -0.020 nan 4.420 nan 0.000 0.268 426 P C -0.713 176.680 177.300 0.155 0.000 1.205 426 P CA -0.308 62.839 63.100 0.078 0.000 0.771 426 P CB 0.522 32.253 31.700 0.053 0.000 0.858 427 K N 3.116 123.596 120.400 0.133 0.000 2.416 427 K HA 0.147 4.399 4.320 -0.115 0.000 0.283 427 K C -0.369 176.348 176.600 0.194 0.000 1.037 427 K CA -0.193 56.171 56.287 0.129 0.000 0.995 427 K CB -0.067 32.488 32.500 0.091 0.000 0.938 427 K HN 0.398 nan 8.250 nan 0.000 0.475 428 L N 6.379 127.656 121.223 0.089 0.000 2.399 428 L HA 0.337 4.608 4.340 -0.115 0.000 0.266 428 L C -1.954 174.945 176.870 0.048 0.000 1.114 428 L CA -2.425 52.381 54.840 -0.056 0.000 0.804 428 L CB 0.831 42.822 42.059 -0.114 0.000 1.146 428 L HN 0.583 nan 8.230 nan 0.000 0.451 429 P HA 0.064 nan 4.420 nan 0.000 0.271 429 P C -0.255 177.173 177.300 0.213 0.000 1.216 429 P CA -0.089 63.090 63.100 0.132 0.000 0.771 429 P CB 0.697 32.478 31.700 0.136 0.000 0.864 430 E N 1.553 121.851 120.200 0.164 0.000 2.473 430 E HA -0.003 4.278 4.350 -0.115 0.000 0.204 430 E C 0.459 177.104 176.600 0.075 0.000 0.994 430 E CA 0.349 56.856 56.400 0.178 0.000 0.945 430 E CB -0.009 29.754 29.700 0.106 0.000 0.990 430 E HN 0.504 nan 8.360 nan 0.000 0.493 431 N N 0.841 119.560 118.700 0.033 0.000 2.451 431 N HA -0.026 4.645 4.740 -0.115 0.000 0.264 431 N C 0.803 176.241 175.510 -0.120 0.000 1.167 431 N CA -0.383 52.617 53.050 -0.083 0.000 0.898 431 N CB -0.927 37.534 38.487 -0.044 0.000 1.176 431 N HN 0.088 nan 8.380 nan 0.000 0.507 432 F N -0.880 118.939 119.950 -0.219 0.000 2.748 432 F HA 0.361 4.819 4.527 -0.115 0.000 0.299 432 F C 0.113 175.783 175.800 -0.217 0.000 1.154 432 F CA -0.586 57.257 58.000 -0.262 0.000 1.446 432 F CB -0.045 38.616 39.000 -0.565 0.000 1.112 432 F HN -0.127 nan 8.300 nan 0.000 0.584 433 L N 1.310 122.078 121.223 -0.758 0.000 2.292 433 L HA 0.263 4.534 4.340 -0.115 0.000 0.284 433 L C 0.871 177.608 176.870 -0.222 0.000 1.065 433 L CA -0.864 53.663 54.840 -0.521 0.000 0.806 433 L CB 1.282 43.007 42.059 -0.556 0.000 1.175 433 L HN 0.130 nan 8.230 nan 0.000 0.431 434 S N 1.756 117.385 115.700 -0.119 0.000 2.563 434 S HA -0.029 4.372 4.470 -0.115 0.000 0.284 434 S C 1.184 175.756 174.600 -0.047 0.000 1.331 434 S CA -0.205 57.959 58.200 -0.060 0.000 1.047 434 S CB 0.551 63.734 63.200 -0.028 0.000 0.859 434 S HN 0.723 nan 8.310 nan 0.000 0.514 435 E N 2.880 123.061 120.200 -0.032 0.000 2.209 435 E HA -0.183 4.099 4.350 -0.115 0.000 0.196 435 E C 1.798 178.414 176.600 0.027 0.000 0.993 435 E CA 1.299 57.693 56.400 -0.010 0.000 0.819 435 E CB -0.003 29.692 29.700 -0.008 0.000 0.745 435 E HN 0.661 nan 8.360 nan 0.000 0.477 436 K N 0.736 121.141 120.400 0.009 0.000 2.076 436 K HA -0.085 4.166 4.320 -0.115 0.000 0.204 436 K C 2.019 178.653 176.600 0.056 0.000 1.051 436 K CA 0.766 57.062 56.287 0.014 0.000 0.949 436 K CB -0.033 32.452 32.500 -0.026 0.000 0.726 436 K HN 0.071 nan 8.250 nan 0.000 0.443 437 E N 0.977 121.197 120.200 0.033 0.000 2.160 437 E HA -0.147 4.134 4.350 -0.115 0.000 0.195 437 E C 1.909 178.565 176.600 0.094 0.000 0.991 437 E CA 0.889 57.316 56.400 0.046 0.000 0.810 437 E CB -0.026 29.680 29.700 0.009 0.000 0.742 437 E HN 0.280 nan 8.360 nan 0.000 0.466 438 I N -0.433 120.197 120.570 0.099 0.000 2.500 438 I HA -0.193 3.908 4.170 -0.115 0.000 0.252 438 I C 2.260 178.454 176.117 0.129 0.000 1.142 438 I CA 0.728 62.122 61.300 0.157 0.000 1.451 438 I CB -0.170 37.874 38.000 0.073 0.000 1.093 438 I HN 0.150 nan 8.210 nan 0.000 0.430 439 H N 1.649 120.724 119.070 0.008 0.000 2.319 439 H HA -0.176 4.312 4.556 -0.115 0.000 0.299 439 H C 2.158 177.454 175.328 -0.054 0.000 1.092 439 H CA 1.731 57.759 56.048 -0.034 0.000 1.302 439 H CB 0.306 30.050 29.762 -0.029 0.000 1.373 439 H HN -0.008 nan 8.280 nan 0.000 0.497 440 K N 0.350 120.838 120.400 0.147 0.000 2.025 440 K HA -0.095 4.157 4.320 -0.115 0.000 0.207 440 K C 2.429 179.040 176.600 0.018 0.000 1.049 440 K CA 0.997 57.332 56.287 0.079 0.000 0.933 440 K CB -0.562 31.980 32.500 0.070 0.000 0.714 440 K HN 0.377 nan 8.250 nan 0.000 0.438 441 L N 0.836 122.098 121.223 0.066 0.000 2.079 441 L HA -0.176 4.095 4.340 -0.115 0.000 0.210 441 L C 2.557 179.394 176.870 -0.055 0.000 1.081 441 L CA 1.260 56.168 54.840 0.113 0.000 0.752 441 L CB -0.636 41.613 42.059 0.318 0.000 0.896 441 L HN 0.122 nan 8.230 nan 0.000 0.433 442 A N -0.258 122.352 122.820 -0.350 0.000 1.969 442 A HA -0.204 4.047 4.320 -0.115 0.000 0.218 442 A C 2.435 179.676 177.584 -0.573 0.000 1.169 442 A CA 1.566 52.973 52.037 -1.049 0.000 0.635 442 A CB -0.342 18.043 19.000 -1.025 0.000 0.810 442 A HN 0.316 nan 8.150 nan 0.000 0.445 443 K N 0.014 120.231 120.400 -0.305 0.000 2.103 443 K HA -0.125 4.127 4.320 -0.115 0.000 0.204 443 K C 2.116 178.650 176.600 -0.110 0.000 1.052 443 K CA 1.581 57.764 56.287 -0.174 0.000 0.945 443 K CB -0.152 32.300 32.500 -0.081 0.000 0.722 443 K HN 0.454 nan 8.250 nan 0.000 0.443 444 K N 0.200 120.553 120.400 -0.078 0.000 2.103 444 K HA -0.036 4.215 4.320 -0.115 0.000 0.204 444 K C 0.359 176.953 176.600 -0.009 0.000 1.052 444 K CA 0.694 56.963 56.287 -0.029 0.000 0.945 444 K CB 0.164 32.662 32.500 -0.003 0.000 0.722 444 K HN 0.107 nan 8.250 nan 0.000 0.443 445 N N 0.442 119.146 118.700 0.007 0.000 2.502 445 N HA 0.042 4.713 4.740 -0.115 0.000 0.280 445 N C -0.186 175.394 175.510 0.116 0.000 1.223 445 N CA -0.371 52.739 53.050 0.101 0.000 0.966 445 N CB 1.389 40.024 38.487 0.248 0.000 1.203 445 N HN 0.032 nan 8.380 nan 0.000 0.565 446 D N -0.273 120.225 120.400 0.164 0.000 2.338 446 D HA 0.049 4.620 4.640 -0.115 0.000 0.224 446 D C 0.590 177.039 176.300 0.249 0.000 0.967 446 D CA 1.004 55.093 54.000 0.148 0.000 0.896 446 D CB 0.548 41.402 40.800 0.090 0.000 1.028 446 D HN 0.381 nan 8.370 nan 0.000 0.493 447 V N -2.212 117.870 119.914 0.279 0.000 3.078 447 V HA 0.881 4.932 4.120 -0.115 0.000 0.311 447 V C -1.116 175.036 176.094 0.096 0.000 1.138 447 V CA -1.310 61.124 62.300 0.224 0.000 1.007 447 V CB 1.900 33.783 31.823 0.101 0.000 1.045 447 V HN 0.033 nan 8.190 nan 0.000 0.432 448 A N 2.268 124.917 122.820 -0.285 0.000 2.317 448 A HA 0.892 5.143 4.320 -0.115 0.000 0.327 448 A C -0.716 176.789 177.584 -0.132 0.000 1.178 448 A CA -0.714 51.066 52.037 -0.429 0.000 0.817 448 A CB 1.628 19.916 19.000 -1.186 0.000 1.189 448 A HN 1.479 nan 8.150 nan 0.000 0.489 449 V N 4.070 123.984 119.914 -0.001 0.000 2.409 449 V HA 0.336 4.387 4.120 -0.115 0.000 0.290 449 V C -0.645 175.475 176.094 0.043 0.000 1.017 449 V CA -0.076 62.223 62.300 -0.001 0.000 0.841 449 V CB 1.198 33.008 31.823 -0.021 0.000 1.003 449 V HN 0.741 nan 8.190 nan 0.000 0.426 450 I N 5.425 125.998 120.570 0.005 0.000 2.330 450 I HA 0.448 4.549 4.170 -0.115 0.000 0.289 450 I C -0.334 175.751 176.117 -0.053 0.000 1.001 450 I CA -0.836 60.462 61.300 -0.005 0.000 1.193 450 I CB 1.816 39.760 38.000 -0.094 0.000 1.345 450 I HN 0.226 nan 8.210 nan 0.000 0.461 451 V N 7.312 127.195 119.914 -0.052 0.000 2.383 451 V HA 0.381 4.432 4.120 -0.115 0.000 0.275 451 V C -0.044 176.011 176.094 -0.065 0.000 1.036 451 V CA -0.520 61.742 62.300 -0.064 0.000 0.889 451 V CB 1.406 33.187 31.823 -0.070 0.000 0.985 451 V HN 0.610 nan 8.190 nan 0.000 0.459 452 I N 2.878 123.399 120.570 -0.082 0.000 2.433 452 I HA 0.840 4.941 4.170 -0.115 0.000 0.292 452 I C -0.209 175.880 176.117 -0.047 0.000 1.001 452 I CA 0.320 61.570 61.300 -0.084 0.000 1.119 452 I CB 2.319 40.219 38.000 -0.166 0.000 1.289 452 I HN 0.400 nan 8.210 nan 0.000 0.438 453 S N 5.525 121.210 115.700 -0.025 0.000 2.542 453 S HA 0.763 5.164 4.470 -0.115 0.000 0.293 453 S C -0.675 173.925 174.600 -0.001 0.000 1.089 453 S CA -0.869 57.327 58.200 -0.007 0.000 0.961 453 S CB 1.535 64.733 63.200 -0.003 0.000 1.062 453 S HN 0.580 nan 8.310 nan 0.000 0.483 454 R N 1.308 121.811 120.500 0.006 0.000 2.698 454 R HA 0.597 4.868 4.340 -0.115 0.000 0.275 454 R C -1.373 174.921 176.300 -0.012 0.000 1.001 454 R CA -0.522 55.582 56.100 0.006 0.000 0.896 454 R CB 1.978 32.291 30.300 0.022 0.000 1.218 454 R HN 0.731 nan 8.270 nan 0.000 0.462 455 I N 0.639 121.191 120.570 -0.030 0.000 2.769 455 I HA 0.493 4.595 4.170 -0.115 0.000 0.298 455 I C -0.415 175.661 176.117 -0.068 0.000 1.128 455 I CA -0.211 61.041 61.300 -0.078 0.000 1.031 455 I CB 2.113 40.060 38.000 -0.089 0.000 1.235 455 I HN 0.857 nan 8.210 nan 0.000 0.423 456 S N 4.213 119.845 115.700 -0.113 0.000 2.851 456 S HA 1.038 5.439 4.470 -0.115 0.000 0.313 456 S C -0.475 174.109 174.600 -0.027 0.000 1.163 456 S CA -0.437 57.755 58.200 -0.012 0.000 0.850 456 S CB 1.811 65.069 63.200 0.097 0.000 1.245 456 S HN 1.096 nan 8.310 nan 0.000 0.558 457 G N -0.556 108.361 108.800 0.195 0.000 2.489 457 G HA2 0.425 4.316 3.960 -0.115 0.000 0.291 457 G HA3 0.425 4.316 3.960 -0.115 0.000 0.291 457 G C -1.640 173.465 174.900 0.342 0.000 1.487 457 G CA -0.839 44.437 45.100 0.293 0.000 0.795 457 G HN 0.889 nan 8.290 nan 0.000 0.513 458 E N -0.408 119.954 120.200 0.270 0.000 2.568 458 E HA 0.337 4.618 4.350 -0.115 0.000 0.262 458 E C 1.434 178.033 176.600 -0.003 0.000 0.961 458 E CA 1.725 58.201 56.400 0.127 0.000 0.945 458 E CB 0.126 29.882 29.700 0.092 0.000 0.924 458 E HN 1.975 nan 8.360 nan 0.000 0.467 459 G N 3.450 112.184 108.800 -0.111 0.000 2.213 459 G HA2 -0.276 3.615 3.960 -0.115 0.000 0.236 459 G HA3 -0.276 3.615 3.960 -0.115 0.000 0.236 459 G C -0.641 173.947 174.900 -0.519 0.000 0.991 459 G CA 0.312 45.182 45.100 -0.382 0.000 0.629 459 G HN 0.528 nan 8.290 nan 0.000 0.517 460 Y N 1.365 121.703 120.300 0.063 0.000 2.346 460 Y HA 0.593 5.074 4.550 -0.115 0.000 0.332 460 Y C -0.362 175.598 175.900 0.100 0.000 0.985 460 Y CA -1.395 56.745 58.100 0.066 0.000 1.112 460 Y CB 1.554 40.048 38.460 0.058 0.000 1.170 460 Y HN -0.030 nan 8.280 nan 0.000 0.447 461 D N 2.808 123.357 120.400 0.248 0.000 2.283 461 D HA 0.320 4.891 4.640 -0.115 0.000 0.248 461 D C 0.064 176.495 176.300 0.218 0.000 1.072 461 D CA -0.493 53.667 54.000 0.268 0.000 0.929 461 D CB 1.117 42.128 40.800 0.351 0.000 1.182 461 D HN 0.498 nan 8.370 nan 0.000 0.433 462 R N 1.160 121.764 120.500 0.172 0.000 2.560 462 R HA 0.381 4.652 4.340 -0.115 0.000 0.270 462 R C 0.268 176.601 176.300 0.055 0.000 1.074 462 R CA -0.400 55.758 56.100 0.096 0.000 1.140 462 R CB 0.975 31.314 30.300 0.065 0.000 1.073 462 R HN 0.219 nan 8.270 nan 0.000 0.527 463 K N 1.762 122.177 120.400 0.026 0.000 2.208 463 K HA 0.300 4.551 4.320 -0.115 0.000 0.247 463 K C -2.257 174.294 176.600 -0.082 0.000 0.953 463 K CA -1.929 54.344 56.287 -0.023 0.000 0.837 463 K CB 1.844 34.363 32.500 0.032 0.000 1.131 463 K HN 0.324 nan 8.250 nan 0.000 0.431 464 P HA 0.014 nan 4.420 nan 0.000 0.226 464 P C -0.544 176.889 177.300 0.222 0.000 1.783 464 P CA -0.090 62.892 63.100 -0.197 0.000 0.980 464 P CB -0.256 31.096 31.700 -0.579 0.000 1.967 465 V N -2.018 118.053 119.914 0.261 0.000 3.102 465 V HA 0.552 4.604 4.120 -0.115 0.000 0.312 465 V C 0.025 176.313 176.094 0.324 0.000 1.135 465 V CA -1.714 60.752 62.300 0.277 0.000 1.022 465 V CB 2.051 33.956 31.823 0.137 0.000 1.056 465 V HN -0.097 nan 8.190 nan 0.000 0.436 466 K N 0.990 121.532 120.400 0.237 0.000 2.436 466 K HA 0.458 4.709 4.320 -0.115 0.000 0.275 466 K C 1.209 177.894 176.600 0.141 0.000 0.999 466 K CA 1.031 57.438 56.287 0.200 0.000 0.980 466 K CB 0.432 33.000 32.500 0.115 0.000 0.919 466 K HN 1.641 nan 8.250 nan 0.000 0.484 467 G N 1.361 110.233 108.800 0.119 0.000 2.199 467 G HA2 -0.268 3.623 3.960 -0.115 0.000 0.254 467 G HA3 -0.268 3.623 3.960 -0.115 0.000 0.254 467 G C 0.349 175.292 174.900 0.071 0.000 0.982 467 G CA 0.623 45.771 45.100 0.079 0.000 0.632 467 G HN 0.714 nan 8.290 nan 0.000 0.529 468 D N -1.508 118.952 120.400 0.099 0.000 3.112 468 D HA 0.318 4.889 4.640 -0.115 0.000 0.212 468 D C 1.672 178.014 176.300 0.071 0.000 1.376 468 D CA 0.187 54.237 54.000 0.083 0.000 1.411 468 D CB -0.429 40.426 40.800 0.093 0.000 0.965 468 D HN 0.083 nan 8.370 nan 0.000 0.192 469 F N 0.464 120.365 119.950 -0.081 0.000 2.234 469 F HA 0.047 4.505 4.527 -0.114 0.000 0.299 469 F C 0.220 175.865 175.800 -0.258 0.000 1.087 469 F CA 1.010 58.873 58.000 -0.228 0.000 1.340 469 F CB 0.053 38.804 39.000 -0.415 0.000 1.031 469 F HN 0.005 nan 8.300 nan 0.000 0.500 470 Y N 0.092 120.455 120.300 0.106 0.000 2.419 470 Y HA 0.427 4.908 4.550 -0.115 0.000 0.328 470 Y C -0.176 175.743 175.900 0.032 0.000 1.162 470 Y CA -1.623 56.514 58.100 0.062 0.000 1.174 470 Y CB 0.662 39.217 38.460 0.158 0.000 1.228 470 Y HN -0.329 nan 8.280 nan 0.000 0.473 471 L N 2.269 123.611 121.223 0.199 0.000 2.490 471 L HA 0.048 4.319 4.340 -0.115 0.000 0.274 471 L C 0.520 177.442 176.870 0.088 0.000 1.201 471 L CA 0.089 54.971 54.840 0.070 0.000 0.869 471 L CB 0.161 42.210 42.059 -0.017 0.000 1.123 471 L HN 0.770 nan 8.230 nan 0.000 0.484 472 S N 1.282 117.011 115.700 0.048 0.000 2.593 472 S HA 0.103 4.505 4.470 -0.115 0.000 0.269 472 S C 0.801 175.418 174.600 0.028 0.000 1.334 472 S CA -0.694 57.536 58.200 0.051 0.000 1.015 472 S CB 0.595 63.824 63.200 0.048 0.000 0.912 472 S HN 0.596 nan 8.310 nan 0.000 0.541 473 D N 1.542 121.961 120.400 0.031 0.000 2.158 473 D HA -0.153 4.418 4.640 -0.115 0.000 0.197 473 D C 1.702 178.004 176.300 0.003 0.000 0.995 473 D CA 1.768 55.779 54.000 0.018 0.000 0.846 473 D CB -0.410 40.403 40.800 0.022 0.000 0.941 473 D HN 0.850 nan 8.370 nan 0.000 0.456 474 D N 0.620 121.026 120.400 0.010 0.000 2.178 474 D HA -0.152 4.419 4.640 -0.115 0.000 0.202 474 D C 1.569 177.851 176.300 -0.030 0.000 0.974 474 D CA 0.728 54.729 54.000 0.001 0.000 0.841 474 D CB -0.515 40.304 40.800 0.032 0.000 0.953 474 D HN 0.317 nan 8.370 nan 0.000 0.478 475 E N 0.186 120.361 120.200 -0.041 0.000 2.046 475 E HA -0.134 4.147 4.350 -0.115 0.000 0.190 475 E C 2.272 178.782 176.600 -0.150 0.000 0.982 475 E CA 1.679 58.019 56.400 -0.100 0.000 0.800 475 E CB -0.203 29.427 29.700 -0.118 0.000 0.756 475 E HN 0.404 nan 8.360 nan 0.000 0.449 476 T N 0.333 114.821 114.554 -0.111 0.000 2.867 476 T HA -0.159 4.122 4.350 -0.115 0.000 0.268 476 T C 1.405 176.060 174.700 -0.075 0.000 1.057 476 T CA 1.496 63.538 62.100 -0.096 0.000 1.136 476 T CB -0.177 68.683 68.868 -0.012 0.000 0.874 476 T HN -0.065 nan 8.240 nan 0.000 0.466 477 D N 0.863 121.226 120.400 -0.063 0.000 2.097 477 D HA -0.037 4.534 4.640 -0.115 0.000 0.195 477 D C 2.049 178.288 176.300 -0.103 0.000 0.989 477 D CA 0.977 54.939 54.000 -0.063 0.000 0.827 477 D CB -0.581 40.191 40.800 -0.046 0.000 0.966 477 D HN 0.354 nan 8.370 nan 0.000 0.456 478 L N 0.877 122.023 121.223 -0.128 0.000 1.989 478 L HA -0.121 4.150 4.340 -0.115 0.000 0.211 478 L C 2.159 178.889 176.870 -0.234 0.000 1.071 478 L CA 1.472 56.202 54.840 -0.184 0.000 0.749 478 L CB -0.623 41.335 42.059 -0.167 0.000 0.890 478 L HN 0.032 nan 8.230 nan 0.000 0.431 479 I N -0.731 119.707 120.570 -0.220 0.000 2.226 479 I HA -0.315 3.786 4.170 -0.115 0.000 0.245 479 I C 2.444 178.462 176.117 -0.166 0.000 1.100 479 I CA 1.352 62.517 61.300 -0.225 0.000 1.374 479 I CB -0.384 37.469 38.000 -0.245 0.000 1.057 479 I HN 0.266 nan 8.210 nan 0.000 0.413 480 K N 0.117 120.449 120.400 -0.114 0.000 2.097 480 K HA -0.126 4.126 4.320 -0.115 0.000 0.206 480 K C 2.105 178.647 176.600 -0.098 0.000 1.049 480 K CA 1.841 58.081 56.287 -0.078 0.000 0.933 480 K CB -0.212 32.264 32.500 -0.041 0.000 0.717 480 K HN 0.327 nan 8.250 nan 0.000 0.442 481 T N 0.765 115.250 114.554 -0.116 0.000 2.809 481 T HA -0.072 4.210 4.350 -0.115 0.000 0.260 481 T C 2.043 176.671 174.700 -0.121 0.000 1.039 481 T CA 0.950 62.989 62.100 -0.103 0.000 1.141 481 T CB -0.147 68.658 68.868 -0.105 0.000 0.869 481 T HN -0.080 nan 8.240 nan 0.000 0.437 482 V N 1.765 121.545 119.914 -0.224 0.000 2.343 482 V HA -0.188 3.863 4.120 -0.115 0.000 0.247 482 V C 2.794 178.810 176.094 -0.129 0.000 1.051 482 V CA 2.036 64.179 62.300 -0.262 0.000 1.036 482 V CB -0.909 30.526 31.823 -0.647 0.000 0.654 482 V HN 0.559 nan 8.190 nan 0.000 0.451 483 S N -0.071 115.500 115.700 -0.216 0.000 2.359 483 S HA -0.307 4.094 4.470 -0.115 0.000 0.224 483 S C 2.235 176.667 174.600 -0.279 0.000 1.035 483 S CA 2.220 60.223 58.200 -0.330 0.000 1.018 483 S CB -0.365 62.639 63.200 -0.328 0.000 0.876 483 S HN 0.578 nan 8.310 nan 0.000 0.448 484 R N 0.311 120.735 120.500 -0.126 0.000 2.073 484 R HA -0.042 4.229 4.340 -0.115 0.000 0.234 484 R C 2.260 178.572 176.300 0.021 0.000 1.134 484 R CA 1.692 57.770 56.100 -0.036 0.000 0.952 484 R CB -0.264 30.025 30.300 -0.018 0.000 0.850 484 R HN 0.390 nan 8.270 nan 0.000 0.433 485 E N -0.281 119.929 120.200 0.017 0.000 2.112 485 E HA -0.126 4.156 4.350 -0.115 0.000 0.190 485 E C 1.826 178.394 176.600 -0.053 0.000 0.979 485 E CA 0.926 57.299 56.400 -0.046 0.000 0.814 485 E CB -0.134 29.516 29.700 -0.084 0.000 0.762 485 E HN 0.351 nan 8.360 nan 0.000 0.460 486 F N 0.363 120.287 119.950 -0.044 0.000 2.259 486 F HA -0.090 4.368 4.527 -0.115 0.000 0.298 486 F C 2.283 178.168 175.800 0.142 0.000 1.088 486 F CA 1.044 59.065 58.000 0.035 0.000 1.358 486 F CB -0.056 38.977 39.000 0.055 0.000 1.040 486 F HN 0.200 nan 8.300 nan 0.000 0.505 487 H N -1.551 117.593 119.070 0.123 0.000 2.502 487 H HA -0.102 4.385 4.556 -0.115 0.000 0.283 487 H C 1.971 177.305 175.328 0.011 0.000 1.015 487 H CA 0.621 56.706 56.048 0.062 0.000 1.298 487 H CB 0.231 30.025 29.762 0.054 0.000 1.411 487 H HN 0.196 nan 8.280 nan 0.000 0.556 488 E N 1.308 121.566 120.200 0.096 0.000 2.017 488 E HA -0.125 4.156 4.350 -0.115 0.000 0.193 488 E C 0.664 177.247 176.600 -0.028 0.000 0.997 488 E CA 0.880 57.284 56.400 0.007 0.000 0.804 488 E CB 0.043 29.707 29.700 -0.059 0.000 0.757 488 E HN 0.272 nan 8.360 nan 0.000 0.448 489 Q N -0.251 119.502 119.800 -0.078 0.000 2.492 489 Q HA 0.212 4.483 4.340 -0.115 0.000 0.238 489 Q C 0.658 176.646 176.000 -0.020 0.000 1.045 489 Q CA 0.764 56.522 55.803 -0.075 0.000 0.934 489 Q CB 0.137 28.789 28.738 -0.144 0.000 1.276 489 Q HN 0.369 nan 8.270 nan 0.000 0.521 490 G N 1.245 110.033 108.800 -0.020 0.000 3.471 490 G HA2 0.111 4.002 3.960 -0.115 0.000 0.254 490 G HA3 0.111 4.002 3.960 -0.115 0.000 0.254 490 G C 0.011 174.916 174.900 0.008 0.000 1.199 490 G CA -0.126 44.964 45.100 -0.017 0.000 1.683 490 G HN 0.226 nan 8.290 nan 0.000 0.625 491 K N 0.397 120.836 120.400 0.066 0.000 2.221 491 K HA 0.504 4.755 4.320 -0.115 0.000 0.243 491 K C -0.090 176.648 176.600 0.231 0.000 0.968 491 K CA -0.928 55.455 56.287 0.159 0.000 0.846 491 K CB 1.744 34.387 32.500 0.238 0.000 1.141 491 K HN -0.092 nan 8.250 nan 0.000 0.434 492 K N 1.045 121.570 120.400 0.208 0.000 2.098 492 K HA 0.431 4.682 4.320 -0.115 0.000 0.258 492 K C -0.820 175.877 176.600 0.163 0.000 0.973 492 K CA -0.691 55.703 56.287 0.178 0.000 0.898 492 K CB 2.025 34.582 32.500 0.095 0.000 1.057 492 K HN 0.330 nan 8.250 nan 0.000 0.447 493 V N 3.069 123.071 119.914 0.146 0.000 2.680 493 V HA 0.586 4.637 4.120 -0.115 0.000 0.309 493 V C -1.077 175.030 176.094 0.022 0.000 1.052 493 V CA -0.842 61.454 62.300 -0.006 0.000 0.908 493 V CB 1.529 33.296 31.823 -0.093 0.000 1.001 493 V HN 0.624 nan 8.190 nan 0.000 0.431 494 I N 5.679 126.238 120.570 -0.018 0.000 2.582 494 I HA 0.561 4.662 4.170 -0.115 0.000 0.292 494 I C -0.859 175.257 176.117 -0.002 0.000 1.066 494 I CA -0.862 60.448 61.300 0.016 0.000 1.053 494 I CB 2.337 40.349 38.000 0.021 0.000 1.241 494 I HN 0.339 nan 8.210 nan 0.000 0.421 495 V N 6.550 126.483 119.914 0.031 0.000 2.513 495 V HA 0.474 4.525 4.120 -0.115 0.000 0.299 495 V C -0.224 175.873 176.094 0.006 0.000 1.035 495 V CA -0.617 61.683 62.300 0.001 0.000 0.889 495 V CB 1.914 33.750 31.823 0.022 0.000 0.988 495 V HN 0.434 nan 8.190 nan 0.000 0.440 496 L N 5.566 126.771 121.223 -0.029 0.000 2.287 496 L HA 0.536 4.807 4.340 -0.115 0.000 0.287 496 L C -0.576 176.268 176.870 -0.042 0.000 1.022 496 L CA -0.458 54.361 54.840 -0.034 0.000 0.814 496 L CB 1.521 43.558 42.059 -0.037 0.000 1.217 496 L HN 0.428 nan 8.230 nan 0.000 0.420 497 L N 4.179 125.374 121.223 -0.047 0.000 2.302 497 L HA 0.243 4.514 4.340 -0.115 0.000 0.285 497 L C 0.656 177.497 176.870 -0.048 0.000 1.090 497 L CA 0.087 54.902 54.840 -0.042 0.000 0.866 497 L CB 0.332 42.370 42.059 -0.035 0.000 1.244 497 L HN 0.660 nan 8.230 nan 0.000 0.435 498 N N 6.152 124.844 118.700 -0.014 0.000 3.331 498 N HA 0.225 4.896 4.740 -0.115 0.000 0.303 498 N C -0.467 175.075 175.510 0.053 0.000 1.326 498 N CA -0.291 52.771 53.050 0.020 0.000 1.207 498 N CB 0.315 38.805 38.487 0.005 0.000 1.477 498 N HN 0.572 nan 8.380 nan 0.000 0.541 499 I N -3.122 117.507 120.570 0.098 0.000 2.957 499 I HA 0.627 4.728 4.170 -0.115 0.000 0.310 499 I C 0.783 177.095 176.117 0.325 0.000 1.063 499 I CA -1.031 60.357 61.300 0.147 0.000 1.033 499 I CB 1.898 39.970 38.000 0.119 0.000 1.230 499 I HN -0.066 nan 8.210 nan 0.000 0.447 500 G N 1.127 110.092 108.800 0.276 0.000 3.159 500 G HA2 0.417 4.308 3.960 -0.115 0.000 0.232 500 G HA3 0.417 4.308 3.960 -0.115 0.000 0.232 500 G C 0.149 175.281 174.900 0.386 0.000 1.116 500 G CA 0.100 45.403 45.100 0.338 0.000 0.767 500 G HN 0.610 nan 8.290 nan 0.000 0.547 501 S N -0.835 115.102 115.700 0.395 0.000 2.595 501 S HA 0.521 4.922 4.470 -0.115 0.000 0.270 501 S C -3.020 171.643 174.600 0.105 0.000 1.145 501 S CA -0.726 57.635 58.200 0.269 0.000 0.825 501 S CB 1.622 64.890 63.200 0.113 0.000 1.107 501 S HN -0.118 nan 8.310 nan 0.000 0.461 502 P HA 0.187 nan 4.420 nan 0.000 0.265 502 P C -0.821 176.204 177.300 -0.458 0.000 1.187 502 P CA -0.149 62.433 63.100 -0.863 0.000 0.766 502 P CB 0.274 31.424 31.700 -0.917 0.000 0.820 503 V N -0.328 119.281 119.914 -0.509 0.000 3.113 503 V HA 0.533 4.584 4.120 -0.115 0.000 0.316 503 V C 0.038 175.686 176.094 -0.743 0.000 1.125 503 V CA -1.157 60.729 62.300 -0.689 0.000 1.026 503 V CB 1.852 33.527 31.823 -0.246 0.000 1.080 503 V HN 0.360 nan 8.190 nan 0.000 0.444 504 E N 0.295 119.871 120.200 -1.040 0.000 2.414 504 E HA 0.226 4.508 4.350 -0.115 0.000 0.263 504 E C -0.363 176.263 176.600 0.043 0.000 1.000 504 E CA 0.556 56.713 56.400 -0.405 0.000 0.914 504 E CB 1.694 31.326 29.700 -0.113 0.000 0.948 504 E HN 0.686 nan 8.360 nan 0.000 0.444 505 V N 4.342 124.198 119.914 -0.096 0.000 3.368 505 V HA -0.081 3.970 4.120 -0.115 0.000 0.255 505 V C 1.694 177.301 176.094 -0.812 0.000 1.466 505 V CA 0.168 62.174 62.300 -0.489 0.000 1.095 505 V CB 0.716 32.445 31.823 -0.157 0.000 0.899 505 V HN 0.547 nan 8.190 nan 0.000 0.440 506 V N 1.366 121.047 119.914 -0.387 0.000 2.407 506 V HA -0.194 3.857 4.120 -0.115 0.000 0.248 506 V C 2.658 178.600 176.094 -0.254 0.000 1.055 506 V CA 2.615 64.731 62.300 -0.308 0.000 1.049 506 V CB -0.385 31.351 31.823 -0.144 0.000 0.662 506 V HN 0.750 nan 8.190 nan 0.000 0.455 507 S N -0.111 115.503 115.700 -0.143 0.000 2.447 507 S HA -0.168 4.233 4.470 -0.115 0.000 0.233 507 S C 1.525 176.179 174.600 0.091 0.000 1.006 507 S CA 1.338 59.554 58.200 0.026 0.000 0.957 507 S CB -0.385 62.915 63.200 0.167 0.000 0.773 507 S HN 0.911 nan 8.310 nan 0.000 0.507 508 W N 1.729 123.038 121.300 0.015 0.000 2.413 508 W HA 0.333 4.925 4.660 -0.115 0.000 0.288 508 W C 1.530 178.051 176.519 0.003 0.000 0.958 508 W CA 0.065 57.411 57.345 0.002 0.000 1.333 508 W CB -0.274 29.184 29.460 -0.003 0.000 1.002 508 W HN 0.356 nan 8.180 nan 0.000 0.562 509 R N 1.185 121.400 120.500 -0.474 0.000 2.152 509 R HA -0.097 4.174 4.340 -0.115 0.000 0.232 509 R C 0.862 177.129 176.300 -0.056 0.000 1.117 509 R CA 1.846 57.725 56.100 -0.368 0.000 0.981 509 R CB -0.689 29.276 30.300 -0.557 0.000 0.870 509 R HN -0.161 nan 8.270 nan 0.000 0.451 510 D N 1.023 121.397 120.400 -0.043 0.000 2.363 510 D HA 0.004 4.575 4.640 -0.115 0.000 0.220 510 D C 1.749 178.093 176.300 0.073 0.000 0.994 510 D CA 0.638 54.646 54.000 0.013 0.000 0.890 510 D CB 0.166 40.962 40.800 -0.006 0.000 0.906 510 D HN 0.325 nan 8.370 nan 0.000 0.530 511 L N -0.133 121.148 121.223 0.097 0.000 2.341 511 L HA 0.065 4.336 4.340 -0.115 0.000 0.214 511 L C 0.743 177.647 176.870 0.057 0.000 1.115 511 L CA 0.318 55.201 54.840 0.072 0.000 0.820 511 L CB 0.228 42.327 42.059 0.068 0.000 0.944 511 L HN -0.192 nan 8.230 nan 0.000 0.452 512 V N -1.048 118.948 119.914 0.135 0.000 2.994 512 V HA 0.193 4.244 4.120 -0.115 0.000 0.318 512 V C 0.299 176.496 176.094 0.171 0.000 1.085 512 V CA -0.634 61.753 62.300 0.144 0.000 0.998 512 V CB 2.212 34.145 31.823 0.184 0.000 1.063 512 V HN 0.057 nan 8.190 nan 0.000 0.447 513 D N 0.930 121.431 120.400 0.168 0.000 2.379 513 D HA 0.195 4.766 4.640 -0.115 0.000 0.218 513 D C 0.611 176.971 176.300 0.100 0.000 1.006 513 D CA 0.888 54.968 54.000 0.133 0.000 0.893 513 D CB 1.224 42.099 40.800 0.127 0.000 1.019 513 D HN 0.689 nan 8.370 nan 0.000 0.503 514 G N 0.535 109.394 108.800 0.098 0.000 2.563 514 G HA2 0.647 4.539 3.960 -0.115 0.000 0.302 514 G HA3 0.647 4.539 3.960 -0.115 0.000 0.302 514 G C -1.192 173.760 174.900 0.088 0.000 1.301 514 G CA -0.480 44.670 45.100 0.084 0.000 0.965 514 G HN -0.001 nan 8.290 nan 0.000 0.480 515 I N 1.220 121.825 120.570 0.058 0.000 2.563 515 I HA 0.257 4.358 4.170 -0.115 0.000 0.285 515 I C -0.877 175.216 176.117 -0.040 0.000 1.123 515 I CA -0.371 60.956 61.300 0.044 0.000 1.059 515 I CB 2.155 40.193 38.000 0.063 0.000 1.229 515 I HN 0.117 nan 8.210 nan 0.000 0.442 516 L N 6.351 127.548 121.223 -0.043 0.000 2.272 516 L HA 0.469 4.740 4.340 -0.115 0.000 0.289 516 L C -0.265 176.511 176.870 -0.157 0.000 1.032 516 L CA -0.542 54.239 54.840 -0.098 0.000 0.810 516 L CB 1.776 43.802 42.059 -0.054 0.000 1.205 516 L HN 0.482 nan 8.230 nan 0.000 0.422 517 L N 5.011 126.072 121.223 -0.271 0.000 2.312 517 L HA 0.170 4.441 4.340 -0.115 0.000 0.287 517 L C 0.581 177.213 176.870 -0.395 0.000 1.091 517 L CA -0.083 54.492 54.840 -0.442 0.000 0.846 517 L CB 1.049 42.683 42.059 -0.709 0.000 1.219 517 L HN 0.516 nan 8.230 nan 0.000 0.439 518 V N 4.529 124.301 119.914 -0.237 0.000 3.647 518 V HA 0.016 4.067 4.120 -0.115 0.000 0.279 518 V C 0.663 176.818 176.094 0.103 0.000 1.314 518 V CA 0.062 62.326 62.300 -0.060 0.000 1.125 518 V CB -0.960 30.849 31.823 -0.023 0.000 0.907 518 V HN 0.943 nan 8.190 nan 0.000 0.434 519 W N 0.142 121.472 121.300 0.050 0.000 1.689 519 W HA -0.348 4.243 4.660 -0.115 0.000 0.268 519 W C 0.764 177.306 176.519 0.037 0.000 1.002 519 W CA 1.048 58.433 57.345 0.066 0.000 0.969 519 W CB -0.931 28.578 29.460 0.082 0.000 0.877 519 W HN 0.154 nan 8.180 nan 0.000 0.561 520 Q N 0.195 120.214 119.800 0.366 0.000 2.397 520 Q HA 0.573 4.844 4.340 -0.115 0.000 0.260 520 Q C -0.094 175.989 176.000 0.139 0.000 1.002 520 Q CA 0.243 56.148 55.803 0.170 0.000 0.716 520 Q CB 1.625 30.419 28.738 0.094 0.000 1.258 520 Q HN 0.433 nan 8.270 nan 0.000 0.477 521 A N 2.208 125.095 122.820 0.110 0.000 2.415 521 A HA 0.590 4.842 4.320 -0.115 0.000 0.248 521 A C 0.962 178.583 177.584 0.061 0.000 1.299 521 A CA 0.474 52.567 52.037 0.093 0.000 0.899 521 A CB -0.299 18.746 19.000 0.076 0.000 0.997 521 A HN 0.945 nan 8.150 nan 0.000 0.506 522 G N 0.469 109.297 108.800 0.047 0.000 2.598 522 G HA2 -0.367 3.524 3.960 -0.115 0.000 0.244 522 G HA3 -0.367 3.524 3.960 -0.115 0.000 0.244 522 G C 0.761 175.656 174.900 -0.009 0.000 1.302 522 G CA 0.398 45.507 45.100 0.015 0.000 0.903 522 G HN 1.029 nan 8.290 nan 0.000 0.575 523 Q N -0.726 119.034 119.800 -0.067 0.000 2.226 523 Q HA -0.016 4.255 4.340 -0.115 0.000 0.204 523 Q C 1.478 177.504 176.000 0.044 0.000 0.975 523 Q CA 2.022 57.770 55.803 -0.092 0.000 0.866 523 Q CB -0.046 28.499 28.738 -0.323 0.000 0.915 523 Q HN 0.592 nan 8.270 nan 0.000 0.440 524 E N 0.728 120.964 120.200 0.060 0.000 2.463 524 E HA 0.060 4.341 4.350 -0.115 0.000 0.193 524 E C 1.307 177.974 176.600 0.112 0.000 1.041 524 E CA 0.364 56.851 56.400 0.146 0.000 0.879 524 E CB 0.230 30.045 29.700 0.191 0.000 0.997 524 E HN 0.346 nan 8.360 nan 0.000 0.478 525 T N 1.013 115.608 114.554 0.068 0.000 2.564 525 T HA -0.244 4.037 4.350 -0.115 0.000 0.264 525 T C 1.892 176.618 174.700 0.042 0.000 1.100 525 T CA 2.180 64.307 62.100 0.046 0.000 1.171 525 T CB -0.610 68.281 68.868 0.038 0.000 0.863 525 T HN 0.459 nan 8.240 nan 0.000 0.430 526 G N 0.957 109.783 108.800 0.042 0.000 2.469 526 G HA2 -0.278 3.613 3.960 -0.115 0.000 0.219 526 G HA3 -0.278 3.613 3.960 -0.115 0.000 0.219 526 G C 1.715 176.642 174.900 0.044 0.000 1.150 526 G CA 0.983 46.096 45.100 0.022 0.000 0.763 526 G HN 0.451 nan 8.290 nan 0.000 0.561 527 R N -0.174 120.381 120.500 0.091 0.000 2.073 527 R HA 0.039 4.311 4.340 -0.115 0.000 0.234 527 R C 2.644 179.056 176.300 0.187 0.000 1.134 527 R CA 1.274 57.467 56.100 0.154 0.000 0.952 527 R CB -0.405 30.030 30.300 0.226 0.000 0.850 527 R HN 0.400 nan 8.270 nan 0.000 0.433 528 I N 0.119 120.751 120.570 0.103 0.000 2.163 528 I HA -0.292 3.809 4.170 -0.115 0.000 0.243 528 I C 2.201 178.312 176.117 -0.010 0.000 1.085 528 I CA 1.235 62.494 61.300 -0.067 0.000 1.347 528 I CB -0.304 37.596 38.000 -0.166 0.000 1.044 528 I HN 0.004 nan 8.210 nan 0.000 0.408 529 V N 1.020 120.940 119.914 0.010 0.000 2.295 529 V HA -0.297 3.754 4.120 -0.115 0.000 0.246 529 V C 2.750 178.860 176.094 0.027 0.000 1.049 529 V CA 2.007 64.312 62.300 0.009 0.000 1.024 529 V CB -1.104 30.718 31.823 -0.002 0.000 0.648 529 V HN 0.503 nan 8.190 nan 0.000 0.447 530 A N 0.060 122.900 122.820 0.033 0.000 1.883 530 A HA -0.283 3.968 4.320 -0.115 0.000 0.217 530 A C 1.960 179.585 177.584 0.067 0.000 1.186 530 A CA 2.217 54.278 52.037 0.040 0.000 0.624 530 A CB -0.702 18.318 19.000 0.034 0.000 0.822 530 A HN 0.548 nan 8.150 nan 0.000 0.444 531 D N -0.578 119.879 120.400 0.095 0.000 2.219 531 D HA -0.050 4.521 4.640 -0.115 0.000 0.205 531 D C 1.955 178.324 176.300 0.115 0.000 0.970 531 D CA 1.077 55.149 54.000 0.121 0.000 0.851 531 D CB -0.196 40.722 40.800 0.197 0.000 0.943 531 D HN 0.255 nan 8.370 nan 0.000 0.488 532 V N 0.925 120.893 119.914 0.091 0.000 2.407 532 V HA -0.156 3.895 4.120 -0.115 0.000 0.245 532 V C 2.398 178.607 176.094 0.193 0.000 1.041 532 V CA 0.746 63.119 62.300 0.122 0.000 1.040 532 V CB -0.169 31.682 31.823 0.046 0.000 0.671 532 V HN 0.183 nan 8.190 nan 0.000 0.455 533 L N 1.098 122.391 121.223 0.116 0.000 2.012 533 L HA -0.163 4.108 4.340 -0.115 0.000 0.210 533 L C 2.771 179.679 176.870 0.062 0.000 1.073 533 L CA 2.872 57.767 54.840 0.092 0.000 0.748 533 L CB -2.025 40.064 42.059 0.050 0.000 0.891 533 L HN 0.655 nan 8.230 nan 0.000 0.431 534 T N -3.735 110.857 114.554 0.064 0.000 3.088 534 T HA 0.188 4.469 4.350 -0.115 0.000 0.259 534 T C 1.494 176.206 174.700 0.021 0.000 1.122 534 T CA 0.822 62.941 62.100 0.032 0.000 1.095 534 T CB 0.163 69.056 68.868 0.043 0.000 0.930 534 T HN 0.486 nan 8.240 nan 0.000 0.508 535 G N 1.633 110.486 108.800 0.088 0.000 2.176 535 G HA2 -0.339 3.552 3.960 -0.115 0.000 0.253 535 G HA3 -0.339 3.552 3.960 -0.115 0.000 0.253 535 G C 0.889 175.879 174.900 0.150 0.000 0.979 535 G CA 0.527 45.699 45.100 0.120 0.000 0.641 535 G HN 0.617 nan 8.290 nan 0.000 0.530 536 R N 0.009 120.581 120.500 0.120 0.000 2.105 536 R HA 0.085 4.356 4.340 -0.115 0.000 0.239 536 R C 0.971 177.353 176.300 0.137 0.000 1.135 536 R CA 1.278 57.446 56.100 0.114 0.000 0.967 536 R CB -0.168 30.198 30.300 0.110 0.000 0.861 536 R HN 0.502 nan 8.270 nan 0.000 0.442 537 I N 1.807 122.467 120.570 0.149 0.000 2.336 537 I HA 0.072 4.173 4.170 -0.115 0.000 0.292 537 I C -0.505 175.685 176.117 0.121 0.000 0.991 537 I CA -0.766 60.602 61.300 0.113 0.000 1.227 537 I CB 1.494 39.526 38.000 0.054 0.000 1.366 537 I HN 0.052 nan 8.210 nan 0.000 0.466 538 N N 8.768 127.514 118.700 0.075 0.000 2.462 538 N HA 0.321 4.992 4.740 -0.115 0.000 0.242 538 N C -2.562 172.854 175.510 -0.158 0.000 1.010 538 N CA -1.997 51.047 53.050 -0.009 0.000 0.939 538 N CB 0.794 39.335 38.487 0.091 0.000 1.127 538 N HN 0.159 nan 8.380 nan 0.000 0.509 539 P HA -0.011 nan 4.420 nan 0.000 0.261 539 P C -0.138 177.053 177.300 -0.181 0.000 1.173 539 P CA 0.410 63.337 63.100 -0.288 0.000 0.760 539 P CB 0.460 31.895 31.700 -0.440 0.000 0.783 540 S N 0.901 116.536 115.700 -0.108 0.000 2.787 540 S HA 0.284 4.685 4.470 -0.115 0.000 0.255 540 S C 0.845 175.394 174.600 -0.086 0.000 1.051 540 S CA -0.273 57.877 58.200 -0.083 0.000 1.124 540 S CB -0.165 63.009 63.200 -0.043 0.000 1.104 540 S HN 0.507 nan 8.310 nan 0.000 0.623 541 G N 1.424 110.189 108.800 -0.059 0.000 2.569 541 G HA2 0.535 4.426 3.960 -0.115 0.000 0.249 541 G HA3 0.535 4.426 3.960 -0.115 0.000 0.249 541 G C -0.730 174.131 174.900 -0.065 0.000 1.216 541 G CA -0.416 44.691 45.100 0.011 0.000 0.845 541 G HN 0.375 nan 8.290 nan 0.000 0.568 542 K N 0.428 120.830 120.400 0.004 0.000 2.502 542 K HA 0.295 4.546 4.320 -0.115 0.000 0.257 542 K C -0.623 176.123 176.600 0.243 0.000 0.938 542 K CA -0.873 55.356 56.287 -0.096 0.000 0.819 542 K CB 2.549 34.727 32.500 -0.538 0.000 1.333 542 K HN 0.305 nan 8.250 nan 0.000 0.434 543 L N 3.637 124.969 121.223 0.182 0.000 2.540 543 L HA 0.032 4.303 4.340 -0.115 0.000 0.276 543 L C -1.393 175.664 176.870 0.311 0.000 1.212 543 L CA -0.821 54.218 54.840 0.332 0.000 0.893 543 L CB 0.149 42.383 42.059 0.291 0.000 1.138 543 L HN 0.463 nan 8.230 nan 0.000 0.491 544 P HA 0.094 nan 4.420 nan 0.000 0.261 544 P C -0.159 177.478 177.300 0.563 0.000 1.268 544 P CA 0.252 63.478 63.100 0.209 0.000 0.833 544 P CB 0.720 32.463 31.700 0.072 0.000 1.231 545 T N -1.205 113.733 114.554 0.640 0.000 2.894 545 T HA 0.309 4.590 4.350 -0.115 0.000 0.309 545 T C -0.659 174.433 174.700 0.653 0.000 1.208 545 T CA -0.270 62.249 62.100 0.699 0.000 1.016 545 T CB 1.525 70.766 68.868 0.622 0.000 1.192 545 T HN -0.304 nan 8.240 nan 0.000 0.491 546 T N 2.382 117.260 114.554 0.540 0.000 2.851 546 T HA 0.415 4.696 4.350 -0.115 0.000 0.298 546 T C -0.551 174.376 174.700 0.377 0.000 0.977 546 T CA -0.065 62.261 62.100 0.376 0.000 1.126 546 T CB -0.148 68.776 68.868 0.093 0.000 0.916 546 T HN 0.282 nan 8.240 nan 0.000 0.529 547 F N 5.752 125.779 119.950 0.129 0.000 2.375 547 F HA 0.335 4.793 4.527 -0.115 0.000 0.362 547 F C -1.858 173.967 175.800 0.041 0.000 1.129 547 F CA -2.741 55.342 58.000 0.139 0.000 1.154 547 F CB 0.775 39.889 39.000 0.190 0.000 1.205 547 F HN 0.324 nan 8.300 nan 0.000 0.513 548 P HA 0.216 nan 4.420 nan 0.000 0.275 548 P C 0.511 177.935 177.300 0.208 0.000 1.228 548 P CA -0.329 62.885 63.100 0.190 0.000 0.786 548 P CB 0.927 32.780 31.700 0.255 0.000 0.927 549 R N 0.746 121.336 120.500 0.151 0.000 2.081 549 R HA -0.035 4.236 4.340 -0.115 0.000 0.235 549 R C 0.848 177.279 176.300 0.219 0.000 1.131 549 R CA 1.397 57.565 56.100 0.113 0.000 0.960 549 R CB -0.047 30.296 30.300 0.071 0.000 0.856 549 R HN 0.626 nan 8.270 nan 0.000 0.436 550 D N -2.495 118.065 120.400 0.267 0.000 2.602 550 D HA -0.027 4.544 4.640 -0.115 0.000 0.236 550 D C -0.420 176.028 176.300 0.247 0.000 1.209 550 D CA -0.568 53.654 54.000 0.370 0.000 0.831 550 D CB 1.256 42.234 40.800 0.297 0.000 1.478 550 D HN -0.128 nan 8.370 nan 0.000 0.438 551 Y N 1.963 122.289 120.300 0.043 0.000 2.333 551 Y HA -0.183 4.298 4.550 -0.114 0.000 0.290 551 Y C 2.271 178.112 175.900 -0.098 0.000 1.144 551 Y CA 2.448 60.342 58.100 -0.344 0.000 1.228 551 Y CB -0.013 38.069 38.460 -0.631 0.000 0.985 551 Y HN 0.351 nan 8.280 nan 0.000 0.542 552 S N -1.296 114.378 115.700 -0.043 0.000 2.507 552 S HA -0.121 4.280 4.470 -0.115 0.000 0.235 552 S C 1.294 175.808 174.600 -0.143 0.000 0.988 552 S CA 1.183 59.323 58.200 -0.099 0.000 0.944 552 S CB -0.301 62.921 63.200 0.036 0.000 0.762 552 S HN 0.446 nan 8.310 nan 0.000 0.526 553 D N 1.634 121.981 120.400 -0.088 0.000 2.289 553 D HA 0.077 4.649 4.640 -0.115 0.000 0.207 553 D C 0.973 177.219 176.300 -0.090 0.000 0.966 553 D CA 0.484 54.489 54.000 0.008 0.000 0.868 553 D CB 0.008 40.918 40.800 0.183 0.000 0.943 553 D HN 0.521 nan 8.370 nan 0.000 0.514 554 V N 0.601 120.369 119.914 -0.243 0.000 2.637 554 V HA 0.137 4.188 4.120 -0.115 0.000 0.296 554 V C -1.369 174.485 176.094 -0.399 0.000 1.046 554 V CA -1.058 61.074 62.300 -0.280 0.000 1.066 554 V CB 1.378 33.004 31.823 -0.328 0.000 0.968 554 V HN -0.101 nan 8.190 nan 0.000 0.483 555 P HA -0.042 nan 4.420 nan 0.000 0.222 555 P C 0.845 178.011 177.300 -0.224 0.000 1.153 555 P CA 1.198 63.912 63.100 -0.643 0.000 0.798 555 P CB 0.019 31.127 31.700 -0.986 0.000 0.796 556 S N 0.691 116.264 115.700 -0.212 0.000 3.811 556 S HA 0.042 4.443 4.470 -0.115 0.000 0.205 556 S C 1.304 175.815 174.600 -0.149 0.000 1.445 556 S CA -1.053 57.023 58.200 -0.207 0.000 1.097 556 S CB -1.681 61.417 63.200 -0.171 0.000 1.350 556 S HN 0.361 nan 8.310 nan 0.000 0.471 557 W N 1.677 122.893 121.300 -0.139 0.000 2.421 557 W HA -0.136 4.453 4.660 -0.118 0.000 0.270 557 W C 1.066 177.610 176.519 0.042 0.000 1.233 557 W CA 1.147 58.443 57.345 -0.082 0.000 1.226 557 W CB -1.693 27.696 29.460 -0.119 0.000 1.121 557 W HN 0.612 nan 8.180 nan 0.000 0.579 558 T N -2.183 111.994 114.554 -0.628 0.000 3.055 558 T HA -0.065 4.216 4.350 -0.115 0.000 0.265 558 T C 0.687 175.323 174.700 -0.106 0.000 1.111 558 T CA -0.331 61.440 62.100 -0.547 0.000 1.118 558 T CB -0.986 67.396 68.868 -0.809 0.000 0.909 558 T HN 0.057 nan 8.240 nan 0.000 0.501 559 F N 4.698 124.557 119.950 -0.151 0.000 2.623 559 F HA 0.189 4.646 4.527 -0.117 0.000 0.386 559 F C -1.625 174.191 175.800 0.026 0.000 1.068 559 F CA -1.677 56.300 58.000 -0.038 0.000 1.265 559 F CB 0.958 39.963 39.000 0.009 0.000 1.026 559 F HN 0.047 nan 8.300 nan 0.000 0.568 560 P HA 0.353 nan 4.420 nan 0.000 0.276 560 P C -0.142 176.971 177.300 -0.312 0.000 1.585 560 P CA 0.458 63.134 63.100 -0.707 0.000 1.162 560 P CB 0.456 31.651 31.700 -0.843 0.000 1.556 561 G N -0.066 108.638 108.800 -0.160 0.000 2.384 561 G HA2 -0.054 3.837 3.960 -0.115 0.000 0.668 561 G HA3 -0.054 3.837 3.960 -0.115 0.000 0.668 561 G C -1.879 172.981 174.900 -0.067 0.000 1.280 561 G CA -0.870 44.161 45.100 -0.115 0.000 0.992 561 G HN 0.232 nan 8.290 nan 0.000 0.512 562 E N 0.500 120.666 120.200 -0.057 0.000 2.210 562 E HA 0.671 4.952 4.350 -0.115 0.000 0.266 562 E C -2.451 174.129 176.600 -0.033 0.000 0.883 562 E CA -2.044 54.339 56.400 -0.028 0.000 0.761 562 E CB 2.496 32.187 29.700 -0.016 0.000 1.156 562 E HN 0.339 nan 8.360 nan 0.000 0.412 563 P HA 0.093 nan 4.420 nan 0.000 0.277 563 P C -0.017 177.277 177.300 -0.011 0.000 1.240 563 P CA -0.362 62.734 63.100 -0.007 0.000 0.798 563 P CB 0.958 32.656 31.700 -0.003 0.000 0.979 564 K N 1.228 121.632 120.400 0.007 0.000 2.113 564 K HA -0.240 4.011 4.320 -0.115 0.000 0.208 564 K C 1.042 177.641 176.600 -0.002 0.000 1.047 564 K CA 1.946 58.238 56.287 0.009 0.000 0.928 564 K CB -0.277 32.249 32.500 0.042 0.000 0.716 564 K HN 0.345 nan 8.250 nan 0.000 0.446 565 D N -0.426 119.976 120.400 0.003 0.000 2.323 565 D HA -0.044 4.528 4.640 -0.115 0.000 0.209 565 D C -0.184 176.110 176.300 -0.010 0.000 0.973 565 D CA 0.516 54.518 54.000 0.003 0.000 0.874 565 D CB 0.240 41.047 40.800 0.010 0.000 0.930 565 D HN 0.111 nan 8.370 nan 0.000 0.521 566 N N -0.435 118.253 118.700 -0.019 0.000 2.666 566 N HA 0.192 4.864 4.740 -0.115 0.000 0.253 566 N C -2.912 172.575 175.510 -0.038 0.000 1.621 566 N CA -1.343 51.691 53.050 -0.027 0.000 0.785 566 N CB 0.847 39.323 38.487 -0.018 0.000 1.332 566 N HN -0.202 nan 8.380 nan 0.000 0.514 567 P HA 0.127 nan 4.420 nan 0.000 0.267 567 P C 0.183 177.443 177.300 -0.066 0.000 1.209 567 P CA 0.109 63.169 63.100 -0.067 0.000 0.763 567 P CB 0.935 32.574 31.700 -0.101 0.000 0.816 568 Q N 2.068 121.832 119.800 -0.062 0.000 2.378 568 Q HA 0.076 4.347 4.340 -0.115 0.000 0.216 568 Q C 0.468 176.419 176.000 -0.082 0.000 0.892 568 Q CA 0.981 56.745 55.803 -0.066 0.000 0.931 568 Q CB 0.324 29.028 28.738 -0.056 0.000 1.086 568 Q HN 0.601 nan 8.270 nan 0.000 0.528 569 K N -1.573 118.778 120.400 -0.082 0.000 2.556 569 K HA 0.661 4.912 4.320 -0.115 0.000 0.274 569 K C -1.366 175.179 176.600 -0.092 0.000 0.966 569 K CA -0.942 55.288 56.287 -0.095 0.000 0.865 569 K CB 2.391 34.834 32.500 -0.093 0.000 1.444 569 K HN -0.170 nan 8.250 nan 0.000 0.433 570 V N 1.722 121.580 119.914 -0.093 0.000 2.610 570 V HA 0.477 4.528 4.120 -0.115 0.000 0.298 570 V C -1.538 174.532 176.094 -0.040 0.000 1.067 570 V CA -0.503 61.756 62.300 -0.068 0.000 0.894 570 V CB 1.702 33.504 31.823 -0.036 0.000 1.015 570 V HN 0.733 nan 8.190 nan 0.000 0.432 571 V N 7.231 127.112 119.914 -0.056 0.000 2.472 571 V HA 0.612 4.663 4.120 -0.115 0.000 0.290 571 V C -0.837 175.319 176.094 0.103 0.000 1.037 571 V CA -0.391 61.892 62.300 -0.028 0.000 0.908 571 V CB 1.684 33.464 31.823 -0.073 0.000 0.985 571 V HN 0.789 nan 8.190 nan 0.000 0.454 572 Y N 5.136 125.347 120.300 -0.149 0.000 2.570 572 Y HA 0.361 4.840 4.550 -0.118 0.000 0.336 572 Y C 1.627 177.484 175.900 -0.072 0.000 1.284 572 Y CA -0.584 57.451 58.100 -0.109 0.000 1.761 572 Y CB -0.576 37.854 38.460 -0.050 0.000 1.724 572 Y HN 0.764 nan 8.280 nan 0.000 0.455 573 E N 1.142 121.332 120.200 -0.018 0.000 2.118 573 E HA -0.208 4.073 4.350 -0.115 0.000 0.195 573 E C 1.806 178.477 176.600 0.117 0.000 0.992 573 E CA 1.293 57.712 56.400 0.032 0.000 0.804 573 E CB 0.178 29.883 29.700 0.009 0.000 0.741 573 E HN 0.691 nan 8.360 nan 0.000 0.458 574 E N 1.390 121.638 120.200 0.081 0.000 2.347 574 E HA -0.147 4.134 4.350 -0.115 0.000 0.196 574 E C 0.851 177.605 176.600 0.255 0.000 1.008 574 E CA 0.673 57.167 56.400 0.157 0.000 0.852 574 E CB -0.140 29.587 29.700 0.044 0.000 0.783 574 E HN 0.134 nan 8.360 nan 0.000 0.505 575 D N 0.685 121.219 120.400 0.224 0.000 3.639 575 D HA -0.310 4.261 4.640 -0.115 0.000 0.162 575 D C 1.439 177.839 176.300 0.165 0.000 1.054 575 D CA 2.699 56.839 54.000 0.233 0.000 1.085 575 D CB -1.363 39.564 40.800 0.212 0.000 0.547 575 D HN 0.297 nan 8.370 nan 0.000 0.595 576 I N -1.390 119.178 120.570 -0.002 0.000 3.001 576 I HA -0.071 4.030 4.170 -0.115 0.000 0.268 576 I C 1.141 177.101 176.117 -0.262 0.000 1.267 576 I CA 0.700 61.887 61.300 -0.189 0.000 1.472 576 I CB -0.513 37.278 38.000 -0.349 0.000 1.089 576 I HN 0.171 nan 8.210 nan 0.000 0.468 577 Y N 2.256 122.643 120.300 0.145 0.000 2.735 577 Y HA 0.510 4.988 4.550 -0.120 0.000 0.354 577 Y C 0.146 176.144 175.900 0.163 0.000 1.288 577 Y CA -0.415 57.804 58.100 0.198 0.000 1.836 577 Y CB 0.220 38.928 38.460 0.413 0.000 1.920 577 Y HN 0.035 nan 8.280 nan 0.000 0.438 578 V N 0.858 120.850 119.914 0.130 0.000 2.680 578 V HA 0.872 4.923 4.120 -0.115 0.000 0.309 578 V C 0.514 176.658 176.094 0.085 0.000 1.052 578 V CA 0.255 62.609 62.300 0.089 0.000 0.908 578 V CB 1.164 33.007 31.823 0.034 0.000 1.001 578 V HN 0.774 nan 8.190 nan 0.000 0.431 579 G N 5.522 114.448 108.800 0.211 0.000 2.547 579 G HA2 -0.382 3.509 3.960 -0.115 0.000 0.271 579 G HA3 -0.382 3.509 3.960 -0.115 0.000 0.271 579 G C 0.415 175.601 174.900 0.477 0.000 1.209 579 G CA 1.348 46.650 45.100 0.338 0.000 0.959 579 G HN 2.052 nan 8.290 nan 0.000 0.563 580 Y N 0.765 121.248 120.300 0.304 0.000 2.333 580 Y HA 0.069 4.552 4.550 -0.111 0.000 0.290 580 Y C 2.866 178.939 175.900 0.289 0.000 1.144 580 Y CA 1.768 60.061 58.100 0.322 0.000 1.228 580 Y CB -0.589 37.967 38.460 0.160 0.000 0.985 580 Y HN 0.492 nan 8.280 nan 0.000 0.542 581 R N -0.543 119.705 120.500 -0.420 0.000 2.117 581 R HA -0.231 4.040 4.340 -0.115 0.000 0.243 581 R C 2.043 178.459 176.300 0.192 0.000 1.143 581 R CA 2.071 58.077 56.100 -0.156 0.000 0.968 581 R CB -0.790 29.380 30.300 -0.216 0.000 0.863 581 R HN 0.573 nan 8.270 nan 0.000 0.444 582 Y N 0.095 120.488 120.300 0.156 0.000 2.153 582 Y HA -0.214 4.265 4.550 -0.119 0.000 0.289 582 Y C 1.745 177.702 175.900 0.095 0.000 1.127 582 Y CA 1.279 59.486 58.100 0.178 0.000 1.131 582 Y CB -0.433 38.028 38.460 0.003 0.000 0.995 582 Y HN -0.032 nan 8.280 nan 0.000 0.505 583 Y N 0.665 120.992 120.300 0.045 0.000 2.224 583 Y HA -0.223 4.259 4.550 -0.114 0.000 0.289 583 Y C 2.267 178.061 175.900 -0.177 0.000 1.146 583 Y CA 1.518 59.569 58.100 -0.080 0.000 1.182 583 Y CB -0.463 38.071 38.460 0.123 0.000 0.983 583 Y HN 0.179 nan 8.280 nan 0.000 0.524 584 D N -0.887 119.530 120.400 0.028 0.000 2.103 584 D HA -0.118 4.453 4.640 -0.115 0.000 0.199 584 D C 2.140 178.230 176.300 -0.349 0.000 0.978 584 D CA 1.885 55.762 54.000 -0.205 0.000 0.829 584 D CB -0.682 40.091 40.800 -0.044 0.000 0.981 584 D HN 0.253 nan 8.370 nan 0.000 0.464 585 T N 0.032 114.418 114.554 -0.279 0.000 2.777 585 T HA -0.091 4.190 4.350 -0.115 0.000 0.266 585 T C 1.394 175.629 174.700 -0.775 0.000 1.040 585 T CA 0.845 62.638 62.100 -0.512 0.000 1.141 585 T CB -0.295 68.129 68.868 -0.741 0.000 0.868 585 T HN 0.138 nan 8.240 nan 0.000 0.444 586 F N 0.496 120.223 119.950 -0.372 0.000 2.641 586 F HA 0.445 4.899 4.527 -0.121 0.000 0.302 586 F C 1.659 177.264 175.800 -0.324 0.000 1.098 586 F CA -0.419 57.348 58.000 -0.388 0.000 1.318 586 F CB 0.001 38.680 39.000 -0.534 0.000 1.035 586 F HN 0.240 nan 8.300 nan 0.000 0.551 587 G N 1.251 109.935 108.800 -0.194 0.000 2.221 587 G HA2 -0.259 3.633 3.960 -0.115 0.000 0.265 587 G HA3 -0.259 3.633 3.960 -0.115 0.000 0.265 587 G C -0.184 174.670 174.900 -0.076 0.000 1.041 587 G CA 0.059 45.077 45.100 -0.137 0.000 0.807 587 G HN 0.173 nan 8.290 nan 0.000 0.502 588 V N 0.324 120.195 119.914 -0.073 0.000 2.406 588 V HA 0.404 4.455 4.120 -0.115 0.000 0.272 588 V C 0.716 176.924 176.094 0.191 0.000 1.043 588 V CA -0.481 61.854 62.300 0.059 0.000 0.915 588 V CB 1.734 33.605 31.823 0.079 0.000 0.988 588 V HN 0.487 nan 8.190 nan 0.000 0.466 589 E N 7.297 127.569 120.200 0.121 0.000 2.223 589 E HA 0.315 4.597 4.350 -0.115 0.000 0.282 589 E C -2.416 174.230 176.600 0.077 0.000 1.046 589 E CA -1.655 54.785 56.400 0.067 0.000 0.857 589 E CB 1.242 30.940 29.700 -0.003 0.000 1.055 589 E HN 0.454 nan 8.360 nan 0.000 0.409 590 P HA 0.091 nan 4.420 nan 0.000 0.274 590 P C -0.283 176.932 177.300 -0.142 0.000 1.246 590 P CA -0.139 62.883 63.100 -0.130 0.000 0.795 590 P CB 1.015 32.559 31.700 -0.260 0.000 1.006 591 A N 0.309 123.044 122.820 -0.140 0.000 1.855 591 A HA -0.055 4.196 4.320 -0.115 0.000 0.215 591 A C 0.036 177.215 177.584 -0.674 0.000 1.191 591 A CA 1.742 53.571 52.037 -0.346 0.000 0.613 591 A CB -1.000 17.875 19.000 -0.209 0.000 0.829 591 A HN 0.584 nan 8.150 nan 0.000 0.442 592 Y N -0.157 120.053 120.300 -0.150 0.000 2.421 592 Y HA 0.380 4.860 4.550 -0.115 0.000 0.339 592 Y C -0.150 175.666 175.900 -0.139 0.000 0.996 592 Y CA -1.653 56.243 58.100 -0.340 0.000 1.046 592 Y CB 1.220 39.388 38.460 -0.486 0.000 1.226 592 Y HN 0.381 nan 8.280 nan 0.000 0.445 593 E N 3.104 123.309 120.200 0.008 0.000 2.349 593 E HA 0.136 4.417 4.350 -0.115 0.000 0.262 593 E C -0.612 176.138 176.600 0.251 0.000 1.088 593 E CA -0.679 55.786 56.400 0.108 0.000 0.899 593 E CB 1.294 31.037 29.700 0.071 0.000 1.044 593 E HN 0.583 nan 8.360 nan 0.000 0.420 594 F N 1.491 121.542 119.950 0.170 0.000 2.623 594 F HA 0.202 4.663 4.527 -0.110 0.000 0.386 594 F C 1.461 177.387 175.800 0.209 0.000 1.068 594 F CA 2.035 60.176 58.000 0.235 0.000 1.265 594 F CB 0.049 39.174 39.000 0.208 0.000 1.026 594 F HN 0.786 nan 8.300 nan 0.000 0.568 595 G N 4.086 112.657 108.800 -0.380 0.000 2.143 595 G HA2 -0.356 3.535 3.960 -0.115 0.000 0.248 595 G HA3 -0.356 3.535 3.960 -0.115 0.000 0.248 595 G C -0.364 174.396 174.900 -0.233 0.000 0.991 595 G CA 0.149 44.991 45.100 -0.431 0.000 0.689 595 G HN 1.047 nan 8.290 nan 0.000 0.522 596 Y N 0.795 120.992 120.300 -0.172 0.000 2.310 596 Y HA 0.555 5.036 4.550 -0.115 0.000 0.326 596 Y C 0.535 176.325 175.900 -0.183 0.000 1.151 596 Y CA 0.317 58.332 58.100 -0.141 0.000 1.195 596 Y CB 1.668 40.096 38.460 -0.053 0.000 1.210 596 Y HN 0.749 nan 8.280 nan 0.000 0.483 597 G N 5.897 114.152 108.800 -0.909 0.000 2.503 597 G HA2 0.387 4.278 3.960 -0.115 0.000 0.305 597 G HA3 0.387 4.278 3.960 -0.115 0.000 0.305 597 G C -2.124 172.382 174.900 -0.657 0.000 1.575 597 G CA -0.987 43.671 45.100 -0.737 0.000 0.890 597 G HN 0.815 nan 8.290 nan 0.000 0.612 598 L N 0.588 121.498 121.223 -0.521 0.000 2.440 598 L HA 0.879 5.150 4.340 -0.115 0.000 0.262 598 L C 0.773 177.526 176.870 -0.195 0.000 1.072 598 L CA -0.940 53.715 54.840 -0.308 0.000 0.798 598 L CB 1.866 43.797 42.059 -0.215 0.000 1.307 598 L HN 0.578 nan 8.230 nan 0.000 0.475 599 S N -2.096 113.548 115.700 -0.093 0.000 2.595 599 S HA 0.412 4.813 4.470 -0.115 0.000 0.281 599 S C -0.019 174.586 174.600 0.009 0.000 1.117 599 S CA -0.536 57.627 58.200 -0.062 0.000 0.873 599 S CB 0.890 64.164 63.200 0.124 0.000 1.108 599 S HN 0.396 nan 8.310 nan 0.000 0.477 600 Y N 1.463 121.751 120.300 -0.020 0.000 2.578 600 Y HA 0.245 4.726 4.550 -0.114 0.000 0.297 600 Y C 1.594 177.449 175.900 -0.074 0.000 1.176 600 Y CA 0.437 58.515 58.100 -0.037 0.000 1.315 600 Y CB -0.371 38.075 38.460 -0.023 0.000 1.031 600 Y HN 0.583 nan 8.280 nan 0.000 0.524 601 T N -1.094 113.466 114.554 0.011 0.000 2.831 601 T HA 0.571 4.852 4.350 -0.115 0.000 0.287 601 T C -0.390 174.129 174.700 -0.303 0.000 1.070 601 T CA -0.470 61.529 62.100 -0.169 0.000 1.010 601 T CB 1.400 70.100 68.868 -0.281 0.000 1.264 601 T HN 0.022 nan 8.240 nan 0.000 0.532 602 T N 0.195 114.505 114.554 -0.406 0.000 2.932 602 T HA 0.811 5.093 4.350 -0.115 0.000 0.289 602 T C -1.144 173.211 174.700 -0.574 0.000 1.039 602 T CA -0.609 61.298 62.100 -0.321 0.000 1.024 602 T CB 1.007 69.803 68.868 -0.121 0.000 1.090 602 T HN 0.387 nan 8.240 nan 0.000 0.496 603 F N -0.124 119.862 119.950 0.059 0.000 2.576 603 F HA 0.698 5.157 4.527 -0.114 0.000 0.313 603 F C 0.071 175.953 175.800 0.136 0.000 1.078 603 F CA -1.019 57.023 58.000 0.070 0.000 0.921 603 F CB 2.361 41.396 39.000 0.059 0.000 1.232 603 F HN 0.524 nan 8.300 nan 0.000 0.459 604 E N 1.238 121.616 120.200 0.297 0.000 2.199 604 E HA 0.395 4.676 4.350 -0.115 0.000 0.265 604 E C -1.759 175.008 176.600 0.279 0.000 0.882 604 E CA -0.615 55.953 56.400 0.279 0.000 0.759 604 E CB 1.056 30.849 29.700 0.156 0.000 1.148 604 E HN 0.440 nan 8.360 nan 0.000 0.412 605 Y N 1.963 122.312 120.300 0.082 0.000 2.320 605 Y HA 0.533 5.014 4.550 -0.115 0.000 0.324 605 Y C 0.818 176.757 175.900 0.065 0.000 1.190 605 Y CA -0.259 57.883 58.100 0.071 0.000 1.215 605 Y CB 1.682 40.141 38.460 -0.002 0.000 1.221 605 Y HN 0.605 nan 8.280 nan 0.000 0.486 606 S N -0.170 115.659 115.700 0.216 0.000 2.636 606 S HA 0.328 4.729 4.470 -0.115 0.000 0.268 606 S C -1.394 173.294 174.600 0.148 0.000 1.159 606 S CA -0.990 57.300 58.200 0.151 0.000 0.815 606 S CB 1.574 64.839 63.200 0.108 0.000 1.130 606 S HN 0.732 nan 8.310 nan 0.000 0.471 607 D N -0.100 120.365 120.400 0.109 0.000 2.723 607 D HA -0.129 4.442 4.640 -0.115 0.000 0.236 607 D C -0.328 176.044 176.300 0.120 0.000 1.138 607 D CA 0.893 54.948 54.000 0.093 0.000 0.676 607 D CB -1.554 39.286 40.800 0.068 0.000 1.069 607 D HN 0.730 nan 8.370 nan 0.000 0.430 608 L N 0.952 122.254 121.223 0.132 0.000 2.462 608 L HA 0.233 4.504 4.340 -0.115 0.000 0.272 608 L C 0.335 177.271 176.870 0.110 0.000 1.166 608 L CA 0.459 55.389 54.840 0.150 0.000 0.880 608 L CB 0.575 42.705 42.059 0.119 0.000 1.142 608 L HN 0.178 nan 8.230 nan 0.000 0.473 609 N N 4.842 123.608 118.700 0.110 0.000 2.519 609 N HA 0.323 4.995 4.740 -0.115 0.000 0.286 609 N C -1.610 173.945 175.510 0.074 0.000 1.079 609 N CA -0.483 52.613 53.050 0.077 0.000 0.878 609 N CB 1.916 40.432 38.487 0.048 0.000 1.375 609 N HN 0.516 nan 8.380 nan 0.000 0.514 610 V N 1.880 121.842 119.914 0.081 0.000 2.435 610 V HA 0.838 4.890 4.120 -0.115 0.000 0.290 610 V C -0.401 175.725 176.094 0.055 0.000 1.030 610 V CA -0.310 62.027 62.300 0.061 0.000 0.881 610 V CB 1.183 33.063 31.823 0.094 0.000 0.983 610 V HN 0.651 nan 8.190 nan 0.000 0.445 611 S N 5.344 121.050 115.700 0.010 0.000 2.547 611 S HA 0.800 5.202 4.470 -0.115 0.000 0.281 611 S C -1.183 173.437 174.600 0.034 0.000 1.118 611 S CA -0.518 57.703 58.200 0.036 0.000 0.947 611 S CB 1.737 64.945 63.200 0.014 0.000 1.053 611 S HN 1.276 nan 8.310 nan 0.000 0.482 612 F N 3.144 123.034 119.950 -0.100 0.000 2.507 612 F HA 0.487 4.945 4.527 -0.113 0.000 0.328 612 F C -0.148 175.630 175.800 -0.038 0.000 1.136 612 F CA -1.232 56.690 58.000 -0.130 0.000 0.930 612 F CB 1.820 40.741 39.000 -0.132 0.000 1.166 612 F HN 0.765 nan 8.300 nan 0.000 0.436 613 D N 2.397 122.436 120.400 -0.602 0.000 2.340 613 D HA 0.272 4.843 4.640 -0.115 0.000 0.217 613 D C 1.496 177.397 176.300 -0.665 0.000 1.081 613 D CA 0.574 54.293 54.000 -0.467 0.000 0.842 613 D CB 0.345 40.984 40.800 -0.268 0.000 0.934 613 D HN 0.899 nan 8.370 nan 0.000 0.511 614 G N 0.215 108.120 108.800 -1.493 0.000 2.213 614 G HA2 -0.306 3.585 3.960 -0.115 0.000 0.226 614 G HA3 -0.306 3.585 3.960 -0.115 0.000 0.226 614 G C 0.917 175.484 174.900 -0.555 0.000 0.992 614 G CA 0.358 44.864 45.100 -0.990 0.000 0.632 614 G HN 0.394 nan 8.290 nan 0.000 0.511 615 E N -0.716 119.169 120.200 -0.526 0.000 2.535 615 E HA 0.316 4.597 4.350 -0.115 0.000 0.216 615 E C 0.345 176.911 176.600 -0.056 0.000 0.845 615 E CA 1.206 57.521 56.400 -0.141 0.000 1.306 615 E CB 1.056 30.692 29.700 -0.106 0.000 1.291 615 E HN 0.315 nan 8.360 nan 0.000 0.635 616 T N 0.603 115.067 114.554 -0.150 0.000 2.921 616 T HA 0.460 4.741 4.350 -0.115 0.000 0.297 616 T C -1.488 173.249 174.700 0.060 0.000 1.013 616 T CA -0.608 61.476 62.100 -0.027 0.000 0.990 616 T CB 1.514 70.336 68.868 -0.076 0.000 1.023 616 T HN 0.059 nan 8.240 nan 0.000 0.447 617 L N 3.257 124.533 121.223 0.090 0.000 2.289 617 L HA 0.692 4.963 4.340 -0.115 0.000 0.285 617 L C -0.011 176.800 176.870 -0.097 0.000 1.049 617 L CA -0.314 54.493 54.840 -0.056 0.000 0.804 617 L CB 0.798 42.638 42.059 -0.364 0.000 1.195 617 L HN 0.589 nan 8.230 nan 0.000 0.428 618 R N 4.751 125.191 120.500 -0.099 0.000 2.409 618 R HA 0.666 4.937 4.340 -0.115 0.000 0.313 618 R C -1.648 174.622 176.300 -0.050 0.000 0.953 618 R CA -0.674 55.383 56.100 -0.071 0.000 0.849 618 R CB 1.461 31.725 30.300 -0.060 0.000 1.171 618 R HN 0.629 nan 8.270 nan 0.000 0.458 619 V N 1.754 121.653 119.914 -0.025 0.000 2.384 619 V HA 0.510 4.562 4.120 -0.115 0.000 0.287 619 V C -0.844 175.258 176.094 0.014 0.000 1.020 619 V CA -0.704 61.628 62.300 0.052 0.000 0.850 619 V CB 1.480 33.389 31.823 0.142 0.000 0.987 619 V HN 0.861 nan 8.190 nan 0.000 0.436 620 Q N 4.637 124.461 119.800 0.040 0.000 2.353 620 Q HA 0.754 5.025 4.340 -0.115 0.000 0.268 620 Q C -1.784 174.258 176.000 0.071 0.000 1.045 620 Q CA -0.789 54.968 55.803 -0.077 0.000 0.811 620 Q CB 2.467 31.166 28.738 -0.065 0.000 1.305 620 Q HN 1.042 nan 8.270 nan 0.000 0.447 621 Y N -0.473 119.796 120.300 -0.051 0.000 2.641 621 Y HA 0.527 5.008 4.550 -0.115 0.000 0.333 621 Y C -1.790 174.069 175.900 -0.068 0.000 1.174 621 Y CA -1.294 56.790 58.100 -0.027 0.000 1.057 621 Y CB 1.080 39.555 38.460 0.024 0.000 1.322 621 Y HN 0.623 nan 8.280 nan 0.000 0.457 622 R N 2.289 122.869 120.500 0.133 0.000 2.460 622 R HA 0.778 5.050 4.340 -0.115 0.000 0.303 622 R C -1.719 174.596 176.300 0.024 0.000 0.968 622 R CA -0.700 55.413 56.100 0.022 0.000 0.889 622 R CB 1.118 31.430 30.300 0.021 0.000 1.123 622 R HN 0.891 nan 8.270 nan 0.000 0.455 623 I N 3.353 123.885 120.570 -0.063 0.000 2.410 623 I HA 0.249 4.350 4.170 -0.115 0.000 0.286 623 I C -0.507 175.605 176.117 -0.009 0.000 1.009 623 I CA -0.524 60.694 61.300 -0.138 0.000 1.111 623 I CB 1.911 39.732 38.000 -0.298 0.000 1.262 623 I HN 0.642 nan 8.210 nan 0.000 0.443 624 E N 6.339 126.577 120.200 0.064 0.000 2.183 624 E HA 0.200 4.481 4.350 -0.115 0.000 0.271 624 E C -0.646 176.064 176.600 0.182 0.000 0.919 624 E CA -0.813 55.650 56.400 0.104 0.000 0.781 624 E CB 1.416 31.155 29.700 0.066 0.000 1.140 624 E HN 0.467 nan 8.360 nan 0.000 0.402 625 N N 3.177 121.974 118.700 0.161 0.000 2.416 625 N HA -0.033 4.638 4.740 -0.115 0.000 0.265 625 N C -0.127 175.340 175.510 -0.071 0.000 1.195 625 N CA 0.513 53.567 53.050 0.007 0.000 0.943 625 N CB 1.085 39.580 38.487 0.013 0.000 1.115 625 N HN 0.498 nan 8.380 nan 0.000 0.481 626 T N 1.342 115.816 114.554 -0.133 0.000 3.105 626 T HA 0.317 4.598 4.350 -0.115 0.000 0.253 626 T C 0.594 175.232 174.700 -0.104 0.000 1.047 626 T CA 0.021 62.076 62.100 -0.075 0.000 0.944 626 T CB -0.191 68.663 68.868 -0.024 0.000 1.016 626 T HN 0.564 nan 8.240 nan 0.000 0.544 627 G N -0.638 108.059 108.800 -0.171 0.000 2.857 627 G HA2 0.542 4.433 3.960 -0.115 0.000 0.217 627 G HA3 0.542 4.433 3.960 -0.115 0.000 0.217 627 G C 0.751 175.594 174.900 -0.095 0.000 1.357 627 G CA -0.044 44.973 45.100 -0.139 0.000 1.033 627 G HN 0.145 nan 8.290 nan 0.000 0.571 628 G N -1.214 107.541 108.800 -0.075 0.000 3.324 628 G HA2 0.423 4.314 3.960 -0.115 0.000 0.251 628 G HA3 0.423 4.314 3.960 -0.115 0.000 0.251 628 G C 0.477 175.357 174.900 -0.034 0.000 1.072 628 G CA -0.285 44.787 45.100 -0.047 0.000 0.787 628 G HN 0.418 nan 8.290 nan 0.000 0.537 629 R N -0.345 120.130 120.500 -0.041 0.000 2.651 629 R HA 0.618 4.889 4.340 -0.115 0.000 0.278 629 R C -0.430 175.867 176.300 -0.006 0.000 1.010 629 R CA -0.788 55.308 56.100 -0.006 0.000 0.896 629 R CB 1.915 32.231 30.300 0.027 0.000 1.211 629 R HN 0.097 nan 8.270 nan 0.000 0.456 630 A N 1.209 124.044 122.820 0.026 0.000 2.498 630 A HA 0.589 4.840 4.320 -0.115 0.000 0.239 630 A C 0.253 177.887 177.584 0.083 0.000 1.068 630 A CA 0.714 52.781 52.037 0.049 0.000 0.766 630 A CB 0.278 19.311 19.000 0.054 0.000 1.003 630 A HN 0.825 nan 8.150 nan 0.000 0.497 631 G N 0.902 109.788 108.800 0.143 0.000 2.608 631 G HA2 0.545 4.436 3.960 -0.115 0.000 0.291 631 G HA3 0.545 4.436 3.960 -0.115 0.000 0.291 631 G C -1.338 173.742 174.900 0.300 0.000 1.425 631 G CA -0.852 44.388 45.100 0.233 0.000 0.787 631 G HN 0.697 nan 8.290 nan 0.000 0.484 632 K N -0.105 120.412 120.400 0.195 0.000 2.156 632 K HA 0.566 4.817 4.320 -0.115 0.000 0.254 632 K C -1.147 175.304 176.600 -0.249 0.000 0.950 632 K CA -0.716 55.573 56.287 0.004 0.000 0.849 632 K CB 2.466 34.952 32.500 -0.023 0.000 1.100 632 K HN 0.449 nan 8.250 nan 0.000 0.434 633 E N 1.897 121.772 120.200 -0.542 0.000 2.191 633 E HA 0.191 4.472 4.350 -0.115 0.000 0.263 633 E C -1.441 174.945 176.600 -0.356 0.000 0.881 633 E CA -0.724 55.215 56.400 -0.768 0.000 0.757 633 E CB 1.486 30.309 29.700 -1.461 0.000 1.147 633 E HN 0.199 nan 8.360 nan 0.000 0.414 634 V N 4.650 124.394 119.914 -0.284 0.000 2.455 634 V HA 0.375 4.426 4.120 -0.115 0.000 0.273 634 V C 0.017 176.016 176.094 -0.158 0.000 1.045 634 V CA -0.082 62.092 62.300 -0.210 0.000 0.976 634 V CB 0.810 32.395 31.823 -0.397 0.000 0.993 634 V HN 0.789 nan 8.190 nan 0.000 0.475 635 S N 4.834 120.548 115.700 0.024 0.000 2.578 635 S HA 0.802 5.203 4.470 -0.115 0.000 0.301 635 S C -0.888 173.794 174.600 0.138 0.000 1.091 635 S CA -0.944 57.345 58.200 0.148 0.000 1.032 635 S CB 2.028 65.428 63.200 0.332 0.000 1.064 635 S HN 0.671 nan 8.310 nan 0.000 0.508 636 Q N 0.819 120.670 119.800 0.084 0.000 2.323 636 Q HA 0.605 4.876 4.340 -0.115 0.000 0.271 636 Q C -1.506 174.500 176.000 0.010 0.000 1.048 636 Q CA -0.827 54.993 55.803 0.029 0.000 0.792 636 Q CB 2.492 31.168 28.738 -0.102 0.000 1.280 636 Q HN 0.658 nan 8.270 nan 0.000 0.441 637 V N 3.972 123.878 119.914 -0.013 0.000 2.334 637 V HA 0.476 4.527 4.120 -0.115 0.000 0.281 637 V C -1.672 174.397 176.094 -0.042 0.000 1.016 637 V CA -0.270 62.053 62.300 0.038 0.000 0.832 637 V CB 0.083 31.981 31.823 0.126 0.000 0.999 637 V HN 0.662 nan 8.190 nan 0.000 0.439 638 Y N 6.511 126.912 120.300 0.168 0.000 2.361 638 Y HA 0.631 5.111 4.550 -0.117 0.000 0.332 638 Y C 0.372 176.373 175.900 0.168 0.000 1.101 638 Y CA -1.050 57.164 58.100 0.190 0.000 1.137 638 Y CB 1.614 40.189 38.460 0.192 0.000 1.207 638 Y HN 0.399 nan 8.280 nan 0.000 0.463 639 I N 3.063 123.825 120.570 0.321 0.000 2.354 639 I HA 0.245 4.346 4.170 -0.115 0.000 0.292 639 I C -0.274 175.959 176.117 0.194 0.000 0.989 639 I CA -1.207 60.256 61.300 0.272 0.000 1.188 639 I CB 1.496 39.678 38.000 0.304 0.000 1.342 639 I HN 0.549 nan 8.210 nan 0.000 0.457 640 K N 5.423 125.871 120.400 0.080 0.000 2.292 640 K HA 0.642 4.893 4.320 -0.115 0.000 0.270 640 K C -0.270 176.250 176.600 -0.133 0.000 1.062 640 K CA -0.356 55.872 56.287 -0.097 0.000 0.916 640 K CB 0.916 33.251 32.500 -0.276 0.000 1.166 640 K HN 0.782 nan 8.250 nan 0.000 0.458 641 A N 5.329 128.067 122.820 -0.136 0.000 2.351 641 A HA 0.441 4.692 4.320 -0.115 0.000 0.257 641 A C -2.205 175.110 177.584 -0.450 0.000 1.087 641 A CA -1.348 50.443 52.037 -0.410 0.000 0.798 641 A CB -0.127 18.774 19.000 -0.165 0.000 1.033 641 A HN 0.657 nan 8.150 nan 0.000 0.488 642 P HA 0.112 nan 4.420 nan 0.000 0.272 642 P C 0.180 177.340 177.300 -0.234 0.000 1.230 642 P CA -0.326 62.542 63.100 -0.387 0.000 0.788 642 P CB 0.630 32.084 31.700 -0.410 0.000 0.949 643 K N 1.345 121.652 120.400 -0.155 0.000 2.026 643 K HA -0.067 4.184 4.320 -0.115 0.000 0.208 643 K C 1.741 178.298 176.600 -0.071 0.000 1.048 643 K CA 1.500 57.733 56.287 -0.090 0.000 0.929 643 K CB -1.372 31.090 32.500 -0.063 0.000 0.713 643 K HN 0.842 nan 8.250 nan 0.000 0.439 644 G N 1.938 110.692 108.800 -0.078 0.000 2.685 644 G HA2 -0.406 3.485 3.960 -0.115 0.000 0.329 644 G HA3 -0.406 3.485 3.960 -0.115 0.000 0.329 644 G C 0.972 175.856 174.900 -0.028 0.000 1.271 644 G CA 1.210 46.277 45.100 -0.054 0.000 1.003 644 G HN 0.278 nan 8.290 nan 0.000 0.549 645 K N -0.264 120.126 120.400 -0.016 0.000 2.141 645 K HA 0.358 4.609 4.320 -0.115 0.000 0.202 645 K C 1.513 178.113 176.600 0.000 0.000 1.045 645 K CA 0.725 57.008 56.287 -0.007 0.000 0.971 645 K CB 0.430 32.927 32.500 -0.005 0.000 0.795 645 K HN 0.538 nan 8.250 nan 0.000 0.459 646 I N 2.488 123.062 120.570 0.007 0.000 2.846 646 I HA 0.071 4.172 4.170 -0.115 0.000 0.307 646 I C -1.021 175.121 176.117 0.042 0.000 1.053 646 I CA -1.061 60.252 61.300 0.022 0.000 1.050 646 I CB 1.839 39.849 38.000 0.016 0.000 1.239 646 I HN 0.135 nan 8.210 nan 0.000 0.439 647 D N 6.058 126.503 120.400 0.074 0.000 2.443 647 D HA 0.124 4.695 4.640 -0.115 0.000 0.239 647 D C -1.130 175.256 176.300 0.143 0.000 1.136 647 D CA 0.239 54.312 54.000 0.122 0.000 0.879 647 D CB 0.917 41.831 40.800 0.190 0.000 1.195 647 D HN 0.410 nan 8.370 nan 0.000 0.443 648 K N 1.907 122.394 120.400 0.145 0.000 2.508 648 K HA 0.441 4.692 4.320 -0.115 0.000 0.260 648 K C -2.717 173.997 176.600 0.191 0.000 0.949 648 K CA -1.871 54.490 56.287 0.123 0.000 0.834 648 K CB 2.101 34.637 32.500 0.059 0.000 1.365 648 K HN 0.192 nan 8.250 nan 0.000 0.437 649 P HA -0.034 nan 4.420 nan 0.000 0.269 649 P C 0.207 177.602 177.300 0.158 0.000 1.217 649 P CA -0.188 63.050 63.100 0.230 0.000 0.783 649 P CB 0.325 32.085 31.700 0.100 0.000 0.898 650 F N 0.785 120.740 119.950 0.009 0.000 2.091 650 F HA -0.212 4.246 4.527 -0.116 0.000 0.299 650 F C 1.071 176.901 175.800 0.050 0.000 1.103 650 F CA 1.802 59.795 58.000 -0.012 0.000 1.228 650 F CB 0.082 39.056 39.000 -0.045 0.000 0.984 650 F HN 0.399 nan 8.300 nan 0.000 0.477 651 Q N -0.528 119.394 119.800 0.203 0.000 2.590 651 Q HA 0.483 4.755 4.340 -0.115 0.000 0.295 651 Q C -1.698 174.526 176.000 0.373 0.000 0.973 651 Q CA -1.031 54.880 55.803 0.180 0.000 0.768 651 Q CB 2.049 30.906 28.738 0.198 0.000 1.479 651 Q HN 0.316 nan 8.270 nan 0.000 0.419 652 E N 0.889 121.340 120.200 0.419 0.000 2.290 652 E HA 0.323 4.604 4.350 -0.115 0.000 0.274 652 E C -1.455 175.440 176.600 0.492 0.000 0.889 652 E CA -0.952 55.729 56.400 0.469 0.000 0.760 652 E CB 2.553 32.414 29.700 0.269 0.000 1.206 652 E HN 0.513 nan 8.360 nan 0.000 0.419 653 L N 3.406 124.942 121.223 0.521 0.000 2.477 653 L HA 0.051 4.322 4.340 -0.115 0.000 0.272 653 L C 0.427 177.392 176.870 0.159 0.000 1.157 653 L CA 0.773 55.698 54.840 0.142 0.000 0.889 653 L CB 0.212 42.360 42.059 0.148 0.000 1.158 653 L HN 0.469 nan 8.230 nan 0.000 0.473 654 K N 4.200 124.664 120.400 0.107 0.000 2.435 654 K HA 0.526 4.777 4.320 -0.115 0.000 0.199 654 K C -0.209 176.444 176.600 0.088 0.000 1.153 654 K CA 0.643 56.993 56.287 0.104 0.000 0.974 654 K CB 0.802 33.362 32.500 0.099 0.000 0.997 654 K HN 0.642 nan 8.250 nan 0.000 0.547 655 A N 0.777 123.664 122.820 0.113 0.000 2.610 655 A HA 0.742 4.993 4.320 -0.115 0.000 0.291 655 A C -1.486 176.251 177.584 0.256 0.000 1.086 655 A CA -0.791 51.303 52.037 0.096 0.000 0.677 655 A CB 0.952 19.957 19.000 0.008 0.000 1.278 655 A HN 0.107 nan 8.150 nan 0.000 0.414 656 F N -1.519 118.506 119.950 0.126 0.000 2.779 656 F HA 0.904 5.361 4.527 -0.117 0.000 0.316 656 F C -1.025 174.915 175.800 0.233 0.000 1.164 656 F CA -0.622 57.502 58.000 0.207 0.000 0.924 656 F CB 1.061 40.286 39.000 0.374 0.000 1.348 656 F HN 1.000 nan 8.300 nan 0.000 0.467 657 H N 0.349 119.596 119.070 0.296 0.000 3.094 657 H HA 0.479 4.966 4.556 -0.115 0.000 0.346 657 H C -2.101 173.310 175.328 0.139 0.000 1.238 657 H CA -0.879 55.230 56.048 0.102 0.000 1.209 657 H CB 2.050 31.819 29.762 0.010 0.000 1.911 657 H HN 0.916 nan 8.280 nan 0.000 0.540 658 K N 3.496 123.684 120.400 -0.353 0.000 2.463 658 K HA 0.335 4.587 4.320 -0.115 0.000 0.255 658 K C -0.670 175.715 176.600 -0.358 0.000 0.942 658 K CA -0.641 55.517 56.287 -0.214 0.000 0.814 658 K CB 1.891 34.349 32.500 -0.070 0.000 1.122 658 K HN 0.641 nan 8.250 nan 0.000 0.425 659 T N 2.199 116.664 114.554 -0.147 0.000 2.802 659 T HA 0.090 4.371 4.350 -0.115 0.000 0.305 659 T C 0.422 175.082 174.700 -0.067 0.000 1.053 659 T CA -0.267 61.800 62.100 -0.056 0.000 1.058 659 T CB 0.351 69.182 68.868 -0.061 0.000 0.988 659 T HN 0.725 nan 8.240 nan 0.000 0.539 660 R N 1.813 122.300 120.500 -0.021 0.000 2.840 660 R HA 0.303 4.574 4.340 -0.115 0.000 0.282 660 R C -0.058 176.252 176.300 0.017 0.000 1.133 660 R CA -0.833 55.264 56.100 -0.006 0.000 1.208 660 R CB -0.133 30.171 30.300 0.007 0.000 1.160 660 R HN 0.405 nan 8.270 nan 0.000 0.576 661 L N 1.665 122.907 121.223 0.032 0.000 2.515 661 L HA 0.180 4.451 4.340 -0.115 0.000 0.281 661 L C -0.845 176.066 176.870 0.069 0.000 1.131 661 L CA 0.470 55.344 54.840 0.057 0.000 0.905 661 L CB -0.055 42.036 42.059 0.053 0.000 1.246 661 L HN 0.424 nan 8.230 nan 0.000 0.463 662 L N 5.693 126.980 121.223 0.107 0.000 2.276 662 L HA 0.384 4.656 4.340 -0.115 0.000 0.286 662 L C 0.357 177.280 176.870 0.089 0.000 1.061 662 L CA -0.514 54.390 54.840 0.107 0.000 0.807 662 L CB 0.650 42.805 42.059 0.161 0.000 1.177 662 L HN 0.596 nan 8.230 nan 0.000 0.429 663 N N 3.699 122.432 118.700 0.054 0.000 2.467 663 N HA 0.234 4.905 4.740 -0.115 0.000 0.262 663 N C -2.403 173.118 175.510 0.019 0.000 1.234 663 N CA -1.372 51.697 53.050 0.033 0.000 0.952 663 N CB 0.220 38.722 38.487 0.024 0.000 1.158 663 N HN 0.244 nan 8.380 nan 0.000 0.463 664 P HA -0.030 nan 4.420 nan 0.000 0.261 664 P C 0.912 178.209 177.300 -0.004 0.000 1.173 664 P CA 1.044 64.133 63.100 -0.018 0.000 0.760 664 P CB 0.163 31.850 31.700 -0.021 0.000 0.783 665 G N 1.790 110.587 108.800 -0.004 0.000 2.284 665 G HA2 -0.267 3.624 3.960 -0.115 0.000 0.247 665 G HA3 -0.267 3.624 3.960 -0.115 0.000 0.247 665 G C 0.289 175.200 174.900 0.018 0.000 1.012 665 G CA -0.200 44.904 45.100 0.006 0.000 0.618 665 G HN 0.555 nan 8.290 nan 0.000 0.521 666 E N 1.120 121.335 120.200 0.025 0.000 2.404 666 E HA 0.485 4.766 4.350 -0.115 0.000 0.261 666 E C 0.552 177.179 176.600 0.045 0.000 1.074 666 E CA 0.715 57.135 56.400 0.033 0.000 0.917 666 E CB 0.898 30.622 29.700 0.039 0.000 0.965 666 E HN 0.642 nan 8.360 nan 0.000 0.433 667 S N 1.459 117.179 115.700 0.033 0.000 2.618 667 S HA 0.529 4.930 4.470 -0.115 0.000 0.277 667 S C -0.885 173.720 174.600 0.009 0.000 1.138 667 S CA -0.951 57.266 58.200 0.029 0.000 0.844 667 S CB 2.370 65.582 63.200 0.020 0.000 1.127 667 S HN 0.552 nan 8.310 nan 0.000 0.474 668 E N -0.158 120.034 120.200 -0.013 0.000 2.367 668 E HA 0.483 4.764 4.350 -0.115 0.000 0.273 668 E C -1.642 174.904 176.600 -0.090 0.000 0.903 668 E CA -0.520 55.858 56.400 -0.037 0.000 0.764 668 E CB 1.921 31.610 29.700 -0.019 0.000 1.252 668 E HN 0.628 nan 8.360 nan 0.000 0.446 669 E N 1.951 122.085 120.200 -0.110 0.000 2.200 669 E HA 0.309 4.590 4.350 -0.115 0.000 0.283 669 E C -1.509 174.910 176.600 -0.301 0.000 1.015 669 E CA -0.506 55.791 56.400 -0.172 0.000 0.819 669 E CB 1.470 31.096 29.700 -0.123 0.000 1.081 669 E HN 0.221 nan 8.360 nan 0.000 0.397 670 V N 5.343 124.955 119.914 -0.503 0.000 2.384 670 V HA 0.401 4.452 4.120 -0.115 0.000 0.287 670 V C -0.605 175.076 176.094 -0.687 0.000 1.020 670 V CA -0.835 60.977 62.300 -0.813 0.000 0.850 670 V CB 1.596 32.647 31.823 -1.288 0.000 0.987 670 V HN 0.482 nan 8.190 nan 0.000 0.436 671 V N 7.077 126.699 119.914 -0.486 0.000 2.407 671 V HA 0.529 4.580 4.120 -0.115 0.000 0.291 671 V C -0.409 175.539 176.094 -0.244 0.000 1.018 671 V CA -0.350 61.768 62.300 -0.303 0.000 0.842 671 V CB 1.633 33.339 31.823 -0.196 0.000 0.996 671 V HN 0.663 nan 8.190 nan 0.000 0.426 672 L N 4.496 125.606 121.223 -0.188 0.000 2.365 672 L HA 0.660 4.932 4.340 -0.115 0.000 0.273 672 L C -0.215 176.602 176.870 -0.088 0.000 1.000 672 L CA -0.487 54.279 54.840 -0.122 0.000 0.819 672 L CB 2.498 44.511 42.059 -0.078 0.000 1.284 672 L HN 0.547 nan 8.230 nan 0.000 0.418 673 E N 3.547 123.694 120.200 -0.088 0.000 2.199 673 E HA 0.627 4.908 4.350 -0.115 0.000 0.269 673 E C -1.222 175.334 176.600 -0.075 0.000 0.899 673 E CA -0.611 55.742 56.400 -0.078 0.000 0.772 673 E CB 2.894 32.547 29.700 -0.079 0.000 1.155 673 E HN 0.399 nan 8.360 nan 0.000 0.408 674 I N 3.977 124.507 120.570 -0.066 0.000 2.447 674 I HA 0.303 4.404 4.170 -0.115 0.000 0.287 674 I C -2.432 173.661 176.117 -0.041 0.000 1.023 674 I CA -2.538 58.726 61.300 -0.059 0.000 1.083 674 I CB 1.822 39.790 38.000 -0.053 0.000 1.245 674 I HN 0.201 nan 8.210 nan 0.000 0.434 675 P HA 0.018 nan 4.420 nan 0.000 0.271 675 P C 0.837 178.141 177.300 0.006 0.000 1.216 675 P CA -0.167 62.913 63.100 -0.034 0.000 0.776 675 P CB 1.279 32.926 31.700 -0.087 0.000 0.881 676 V N 4.052 124.025 119.914 0.097 0.000 2.568 676 V HA -0.263 3.788 4.120 -0.115 0.000 0.253 676 V C 2.275 178.442 176.094 0.121 0.000 1.072 676 V CA 1.936 64.343 62.300 0.179 0.000 1.084 676 V CB -0.864 31.181 31.823 0.369 0.000 0.676 676 V HN 0.550 nan 8.190 nan 0.000 0.469 677 R N -0.349 120.152 120.500 0.003 0.000 2.193 677 R HA -0.145 4.126 4.340 -0.115 0.000 0.229 677 R C 1.579 177.777 176.300 -0.169 0.000 1.110 677 R CA 1.819 57.813 56.100 -0.176 0.000 0.988 677 R CB -0.250 29.709 30.300 -0.569 0.000 0.871 677 R HN 0.557 nan 8.270 nan 0.000 0.458 678 D N 0.152 120.482 120.400 -0.117 0.000 2.347 678 D HA -0.037 4.534 4.640 -0.115 0.000 0.213 678 D C 1.239 177.548 176.300 0.015 0.000 0.985 678 D CA 0.576 54.515 54.000 -0.101 0.000 0.879 678 D CB 0.201 40.949 40.800 -0.087 0.000 0.919 678 D HN 0.301 nan 8.370 nan 0.000 0.526 679 L N 0.142 121.403 121.223 0.063 0.000 2.599 679 L HA 0.215 4.487 4.340 -0.115 0.000 0.230 679 L C 1.059 178.079 176.870 0.251 0.000 1.141 679 L CA -0.304 54.617 54.840 0.135 0.000 0.877 679 L CB -0.159 41.906 42.059 0.010 0.000 1.009 679 L HN -0.099 nan 8.230 nan 0.000 0.447 680 A N -0.388 122.599 122.820 0.278 0.000 2.332 680 A HA 0.552 4.803 4.320 -0.115 0.000 0.258 680 A C 0.188 178.122 177.584 0.584 0.000 1.087 680 A CA -0.063 52.253 52.037 0.466 0.000 0.802 680 A CB 0.608 19.982 19.000 0.623 0.000 1.042 680 A HN 0.132 nan 8.150 nan 0.000 0.489 681 S N -0.531 115.483 115.700 0.522 0.000 2.536 681 S HA 0.576 4.977 4.470 -0.115 0.000 0.298 681 S C -0.983 173.749 174.600 0.220 0.000 1.083 681 S CA -0.278 58.152 58.200 0.384 0.000 0.995 681 S CB 1.066 64.387 63.200 0.201 0.000 1.058 681 S HN 0.541 nan 8.310 nan 0.000 0.488 682 F N 3.819 123.591 119.950 -0.298 0.000 2.411 682 F HA 0.325 4.847 4.527 -0.008 0.000 0.355 682 F C 1.180 176.834 175.800 -0.244 0.000 1.117 682 F CA -0.566 57.091 58.000 -0.572 0.000 1.139 682 F CB 0.756 39.152 39.000 -1.006 0.000 1.120 682 F HN 0.666 nan 8.300 nan 0.000 0.493 683 N N 3.433 121.719 118.700 -0.689 0.000 2.268 683 N HA 0.229 4.900 4.740 -0.115 0.000 0.204 683 N C 0.962 176.192 175.510 -0.468 0.000 1.124 683 N CA 0.510 53.313 53.050 -0.412 0.000 0.838 683 N CB 0.737 39.066 38.487 -0.263 0.000 0.994 683 N HN 0.887 nan 8.380 nan 0.000 0.489 684 G N -0.097 108.216 108.800 -0.811 0.000 2.284 684 G HA2 -0.273 3.618 3.960 -0.115 0.000 0.216 684 G HA3 -0.273 3.618 3.960 -0.115 0.000 0.216 684 G C 0.800 175.464 174.900 -0.394 0.000 1.009 684 G CA 0.355 45.246 45.100 -0.347 0.000 0.625 684 G HN 0.422 nan 8.290 nan 0.000 0.501 685 E N -0.096 119.682 120.200 -0.703 0.000 2.475 685 E HA 0.309 4.590 4.350 -0.115 0.000 0.205 685 E C 0.583 176.983 176.600 -0.334 0.000 0.822 685 E CA 0.480 56.696 56.400 -0.306 0.000 1.240 685 E CB 0.726 30.336 29.700 -0.149 0.000 1.222 685 E HN 0.577 nan 8.360 nan 0.000 0.581 686 E N -0.747 119.111 120.200 -0.570 0.000 2.343 686 E HA 0.289 4.570 4.350 -0.115 0.000 0.270 686 E C -1.290 175.180 176.600 -0.218 0.000 0.895 686 E CA -0.811 55.483 56.400 -0.177 0.000 0.767 686 E CB 1.405 31.091 29.700 -0.025 0.000 1.248 686 E HN -0.028 nan 8.360 nan 0.000 0.440 687 W N 1.348 122.826 121.300 0.297 0.000 2.266 687 W HA 0.333 4.959 4.660 -0.058 0.000 0.317 687 W C -0.484 176.173 176.519 0.231 0.000 1.310 687 W CA -0.223 57.349 57.345 0.378 0.000 1.207 687 W CB 0.799 30.580 29.460 0.534 0.000 1.199 687 W HN 0.106 nan 8.180 nan 0.000 0.544 688 V N 4.677 124.828 119.914 0.396 0.000 2.531 688 V HA 0.307 4.358 4.120 -0.115 0.000 0.301 688 V C -0.519 175.745 176.094 0.283 0.000 1.034 688 V CA -1.146 61.289 62.300 0.226 0.000 0.865 688 V CB 1.686 33.566 31.823 0.095 0.000 0.995 688 V HN 0.189 nan 8.190 nan 0.000 0.424 689 V N 4.625 124.679 119.914 0.233 0.000 2.288 689 V HA 0.284 4.335 4.120 -0.115 0.000 0.266 689 V C 0.429 176.641 176.094 0.197 0.000 1.048 689 V CA -0.529 61.922 62.300 0.250 0.000 0.842 689 V CB 0.615 32.586 31.823 0.246 0.000 1.064 689 V HN 0.909 nan 8.190 nan 0.000 0.472 690 E N 2.903 123.233 120.200 0.217 0.000 2.398 690 E HA 0.470 4.751 4.350 -0.115 0.000 0.263 690 E C 0.453 177.170 176.600 0.195 0.000 1.046 690 E CA -0.177 56.312 56.400 0.148 0.000 0.908 690 E CB 1.043 30.790 29.700 0.079 0.000 0.963 690 E HN 0.775 nan 8.360 nan 0.000 0.431 691 A N 2.087 124.981 122.820 0.123 0.000 2.346 691 A HA 0.633 4.884 4.320 -0.115 0.000 0.252 691 A C 0.626 178.261 177.584 0.086 0.000 1.089 691 A CA 0.590 52.704 52.037 0.127 0.000 0.797 691 A CB 0.370 19.419 19.000 0.083 0.000 1.047 691 A HN 0.742 nan 8.150 nan 0.000 0.494 692 G N -0.598 108.252 108.800 0.084 0.000 2.331 692 G HA2 0.206 4.098 3.960 -0.115 0.000 0.402 692 G HA3 0.206 4.098 3.960 -0.115 0.000 0.402 692 G C -0.733 174.150 174.900 -0.028 0.000 1.275 692 G CA -0.175 44.918 45.100 -0.011 0.000 1.003 692 G HN 0.991 nan 8.290 nan 0.000 0.500 693 E N -0.400 119.718 120.200 -0.135 0.000 2.259 693 E HA 0.589 4.870 4.350 -0.115 0.000 0.281 693 E C -1.062 175.330 176.600 -0.347 0.000 1.027 693 E CA -0.520 55.778 56.400 -0.171 0.000 0.838 693 E CB 0.572 30.197 29.700 -0.125 0.000 1.066 693 E HN 0.392 nan 8.360 nan 0.000 0.401 694 Y N 1.929 121.867 120.300 -0.604 0.000 2.409 694 Y HA 0.238 4.716 4.550 -0.119 0.000 0.339 694 Y C 0.083 175.727 175.900 -0.426 0.000 1.033 694 Y CA -0.820 56.894 58.100 -0.643 0.000 1.094 694 Y CB 1.707 39.422 38.460 -1.242 0.000 1.210 694 Y HN 0.515 nan 8.280 nan 0.000 0.456 695 E N 1.857 122.019 120.200 -0.064 0.000 2.175 695 E HA 0.558 4.839 4.350 -0.115 0.000 0.278 695 E C -1.615 175.082 176.600 0.163 0.000 0.969 695 E CA -0.676 55.742 56.400 0.030 0.000 0.796 695 E CB 1.148 30.829 29.700 -0.031 0.000 1.104 695 E HN 0.447 nan 8.360 nan 0.000 0.395 696 V N 5.449 125.491 119.914 0.213 0.000 2.383 696 V HA 0.362 4.413 4.120 -0.115 0.000 0.275 696 V C -0.087 176.096 176.094 0.148 0.000 1.036 696 V CA -0.422 62.011 62.300 0.222 0.000 0.889 696 V CB 1.040 32.999 31.823 0.227 0.000 0.985 696 V HN 0.656 nan 8.190 nan 0.000 0.459 697 R N 3.674 124.274 120.500 0.167 0.000 2.358 697 R HA 0.527 4.798 4.340 -0.115 0.000 0.309 697 R C -1.225 175.171 176.300 0.161 0.000 1.026 697 R CA -0.498 55.690 56.100 0.147 0.000 0.909 697 R CB 1.827 32.229 30.300 0.169 0.000 1.153 697 R HN 0.534 nan 8.270 nan 0.000 0.515 698 V N 2.691 122.622 119.914 0.029 0.000 2.385 698 V HA 0.487 4.538 4.120 -0.115 0.000 0.269 698 V C 0.716 176.748 176.094 -0.104 0.000 1.043 698 V CA -0.448 61.808 62.300 -0.073 0.000 0.906 698 V CB 1.237 32.847 31.823 -0.355 0.000 0.995 698 V HN 0.874 nan 8.190 nan 0.000 0.467 699 G N 2.788 111.592 108.800 0.006 0.000 2.473 699 G HA2 0.589 4.481 3.960 -0.115 0.000 0.321 699 G HA3 0.589 4.481 3.960 -0.115 0.000 0.321 699 G C 0.518 175.345 174.900 -0.122 0.000 1.200 699 G CA -0.026 45.037 45.100 -0.063 0.000 0.963 699 G HN 0.822 nan 8.290 nan 0.000 0.483 700 A N -0.085 122.592 122.820 -0.239 0.000 2.169 700 A HA 0.516 4.767 4.320 -0.115 0.000 0.212 700 A C 1.399 178.898 177.584 -0.141 0.000 1.153 700 A CA 1.388 53.335 52.037 -0.150 0.000 0.756 700 A CB -0.316 18.590 19.000 -0.157 0.000 0.813 700 A HN 1.765 nan 8.150 nan 0.000 0.471 701 S N -2.595 113.063 115.700 -0.071 0.000 2.672 701 S HA 0.338 4.739 4.470 -0.115 0.000 0.271 701 S C 0.745 175.373 174.600 0.047 0.000 1.171 701 S CA 0.399 58.586 58.200 -0.022 0.000 0.817 701 S CB 0.477 63.699 63.200 0.038 0.000 1.150 701 S HN 0.723 nan 8.310 nan 0.000 0.478 702 S N 0.395 116.110 115.700 0.025 0.000 2.474 702 S HA 0.010 4.411 4.470 -0.115 0.000 0.235 702 S C 1.212 175.680 174.600 -0.220 0.000 0.997 702 S CA 0.516 58.524 58.200 -0.320 0.000 0.949 702 S CB -0.607 62.451 63.200 -0.236 0.000 0.766 702 S HN 0.711 nan 8.310 nan 0.000 0.517 703 R N 0.249 120.707 120.500 -0.070 0.000 2.446 703 R HA 0.292 4.563 4.340 -0.115 0.000 0.254 703 R C -0.123 176.158 176.300 -0.031 0.000 0.918 703 R CA -0.055 56.015 56.100 -0.050 0.000 1.069 703 R CB -0.054 30.226 30.300 -0.033 0.000 1.194 703 R HN 0.220 nan 8.270 nan 0.000 0.534 704 N N 1.941 120.623 118.700 -0.029 0.000 3.091 704 N HA 0.130 4.801 4.740 -0.115 0.000 0.255 704 N C -0.901 174.546 175.510 -0.104 0.000 1.204 704 N CA -0.185 52.834 53.050 -0.050 0.000 0.990 704 N CB 0.333 38.798 38.487 -0.037 0.000 1.260 704 N HN -0.002 nan 8.380 nan 0.000 0.502 705 I N 2.635 123.156 120.570 -0.081 0.000 2.379 705 I HA 0.121 4.222 4.170 -0.115 0.000 0.290 705 I C 1.426 177.455 176.117 -0.147 0.000 1.063 705 I CA -0.032 61.212 61.300 -0.093 0.000 1.351 705 I CB 1.107 39.095 38.000 -0.020 0.000 1.410 705 I HN 0.200 nan 8.210 nan 0.000 0.505 706 K N 5.656 125.893 120.400 -0.271 0.000 2.334 706 K HA 0.335 4.586 4.320 -0.115 0.000 0.195 706 K C 0.109 176.620 176.600 -0.148 0.000 1.045 706 K CA 0.505 56.614 56.287 -0.298 0.000 1.004 706 K CB 0.772 32.842 32.500 -0.715 0.000 0.837 706 K HN 0.428 nan 8.250 nan 0.000 0.510 707 L N 0.988 122.135 121.223 -0.126 0.000 2.455 707 L HA 0.391 4.662 4.340 -0.115 0.000 0.264 707 L C -1.077 175.785 176.870 -0.015 0.000 0.968 707 L CA -0.770 54.041 54.840 -0.047 0.000 0.827 707 L CB 2.496 44.528 42.059 -0.045 0.000 1.317 707 L HN -0.218 nan 8.230 nan 0.000 0.407 708 K N 1.260 121.671 120.400 0.019 0.000 2.427 708 K HA 0.814 5.066 4.320 -0.115 0.000 0.252 708 K C -0.594 176.044 176.600 0.063 0.000 0.931 708 K CA -0.658 55.655 56.287 0.043 0.000 0.793 708 K CB 2.804 35.324 32.500 0.035 0.000 1.211 708 K HN 0.738 nan 8.250 nan 0.000 0.426 709 G N 0.490 109.345 108.800 0.092 0.000 2.672 709 G HA2 0.601 4.492 3.960 -0.115 0.000 0.292 709 G HA3 0.601 4.492 3.960 -0.115 0.000 0.292 709 G C -0.986 174.000 174.900 0.143 0.000 1.375 709 G CA -0.593 44.575 45.100 0.112 0.000 0.890 709 G HN 0.481 nan 8.290 nan 0.000 0.476 710 T N -1.847 112.792 114.554 0.143 0.000 2.932 710 T HA 0.837 5.118 4.350 -0.115 0.000 0.289 710 T C -0.619 174.237 174.700 0.260 0.000 1.039 710 T CA -0.729 61.453 62.100 0.136 0.000 1.024 710 T CB 1.767 70.659 68.868 0.040 0.000 1.090 710 T HN 1.343 nan 8.240 nan 0.000 0.496 711 F N -1.543 118.450 119.950 0.071 0.000 2.685 711 F HA 0.865 5.323 4.527 -0.116 0.000 0.315 711 F C -0.779 175.066 175.800 0.076 0.000 1.126 711 F CA -1.299 56.740 58.000 0.065 0.000 0.950 711 F CB 1.526 40.547 39.000 0.034 0.000 1.360 711 F HN 0.721 nan 8.300 nan 0.000 0.469 712 S N 0.742 116.537 115.700 0.157 0.000 2.521 712 S HA 0.760 5.161 4.470 -0.115 0.000 0.295 712 S C -1.654 173.051 174.600 0.175 0.000 1.098 712 S CA -0.550 57.690 58.200 0.066 0.000 0.999 712 S CB 1.547 64.808 63.200 0.103 0.000 1.034 712 S HN 0.675 nan 8.310 nan 0.000 0.483 713 V N 5.158 125.131 119.914 0.098 0.000 2.383 713 V HA 0.423 4.474 4.120 -0.115 0.000 0.275 713 V C 1.466 177.670 176.094 0.183 0.000 1.036 713 V CA 0.093 62.499 62.300 0.177 0.000 0.889 713 V CB 0.984 32.858 31.823 0.085 0.000 0.985 713 V HN 1.092 nan 8.190 nan 0.000 0.459 714 G N 4.064 112.988 108.800 0.207 0.000 2.395 714 G HA2 -0.014 3.877 3.960 -0.115 0.000 0.214 714 G HA3 -0.014 3.877 3.960 -0.115 0.000 0.214 714 G C 0.444 175.409 174.900 0.108 0.000 1.177 714 G CA 0.183 45.365 45.100 0.137 0.000 0.794 714 G HN 0.611 nan 8.290 nan 0.000 0.532 715 E N 0.037 120.308 120.200 0.118 0.000 2.187 715 E HA 0.356 4.637 4.350 -0.115 0.000 0.268 715 E C -0.567 176.086 176.600 0.089 0.000 0.896 715 E CA -0.511 55.940 56.400 0.084 0.000 0.766 715 E CB 1.879 31.618 29.700 0.064 0.000 1.142 715 E HN 0.311 nan 8.360 nan 0.000 0.408 716 E N 3.128 123.366 120.200 0.063 0.000 2.436 716 E HA -0.028 4.253 4.350 -0.115 0.000 0.262 716 E C -0.621 175.985 176.600 0.010 0.000 1.063 716 E CA 0.149 56.580 56.400 0.051 0.000 0.944 716 E CB 0.588 30.306 29.700 0.030 0.000 0.950 716 E HN 0.267 nan 8.360 nan 0.000 0.444 717 R N 3.292 123.778 120.500 -0.022 0.000 2.686 717 R HA 0.489 4.761 4.340 -0.115 0.000 0.283 717 R C -0.621 175.466 176.300 -0.355 0.000 0.978 717 R CA -0.763 55.228 56.100 -0.182 0.000 0.897 717 R CB 1.818 32.052 30.300 -0.110 0.000 1.192 717 R HN 0.591 nan 8.270 nan 0.000 0.457 718 R N 1.682 121.838 120.500 -0.574 0.000 2.686 718 R HA 0.587 4.858 4.340 -0.115 0.000 0.283 718 R C -1.057 174.834 176.300 -0.682 0.000 0.978 718 R CA -0.717 55.114 56.100 -0.448 0.000 0.897 718 R CB 1.793 31.996 30.300 -0.161 0.000 1.192 718 R HN 0.355 nan 8.270 nan 0.000 0.457 719 F N 1.080 121.165 119.950 0.226 0.000 2.745 719 F HA 0.344 4.799 4.527 -0.120 0.000 0.343 719 F C -0.093 175.897 175.800 0.316 0.000 1.196 719 F CA -0.850 57.300 58.000 0.250 0.000 1.021 719 F CB 1.698 40.855 39.000 0.262 0.000 1.297 719 F HN 0.186 nan 8.300 nan 0.000 0.486 720 K N 4.578 125.200 120.400 0.370 0.000 2.262 720 K HA 0.564 4.815 4.320 -0.115 0.000 0.282 720 K C -2.177 174.620 176.600 0.328 0.000 1.066 720 K CA -1.445 55.033 56.287 0.318 0.000 0.901 720 K CB 0.756 33.372 32.500 0.194 0.000 1.089 720 K HN 0.276 nan 8.250 nan 0.000 0.476 721 P HA 0.000 nan 4.420 nan 0.000 0.216 721 P CA 0.000 63.287 63.100 0.311 0.000 0.800 721 P CB 0.000 31.912 31.700 0.354 0.000 0.726