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 2cfo_1_B DATA FIRST_RESID 2 DATA SEQUENCE TVRVRLAPSP TGNLHIGTAR TAVFNWLYAR HRGGKFILRI EDTDRERSRP DATA SEQUENCE EYTENILEGL QWLGLTWDEG PYFQSDRLDL YRQAIQTLLD KGLAYYCYCT DATA SEQUENCE PEELEALRAE QKAKGQAPRY DNRHRHLTPE EQAAFEAAGR TPVIRFKIED DATA SEQUENCE DRQIEWQDLV RGRVSWQGAD LGGDMVIARA APRGEIGYPL YNLVVVVDDI DATA SEQUENCE AMGITDVIRG EDHIGNTPKQ ILLYEALGAT PPNFAHTPLI LNSTGQKLSK DATA SEQUENCE RDGVTSISDF RAMGYLAPAL ANYMTLLGWS PPEGVGELFT LDLAAKHFSF DATA SEQUENCE ERINKAGARF DWDKLNWLNR QYIQQLEPEE FLAELIPLWQ GAGYAFDEER DATA SEQUENCE DRPWLFDLAQ LLQPGLNTLR EAIDQGAVFF IPSVTFDSEA MAQLGQPQSA DATA SEQUENCE TILAYLLEHL PAEPALTVAM GQQLIQQAAK AAGVKKGATM RTLRAALTGA DATA SEQUENCE VHGPDLMAAW QILHQRGWDE PRLAAALKQA QTTSLEH 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.686 174.700 -0.023 0.000 1.109 2 T CA 0.000 62.083 62.100 -0.029 0.000 1.349 2 T CB 0.000 68.855 68.868 -0.022 0.000 0.612 3 V N 6.402 126.290 119.914 -0.042 0.000 2.488 3 V HA 0.540 4.659 4.120 -0.000 0.000 0.277 3 V C 0.508 176.606 176.094 0.005 0.000 1.046 3 V CA -0.152 62.131 62.300 -0.029 0.000 0.986 3 V CB 0.940 32.692 31.823 -0.118 0.000 0.989 3 V HN 0.717 nan 8.190 nan 0.000 0.475 4 R N 3.866 124.389 120.500 0.039 0.000 2.388 4 R HA 0.645 4.985 4.340 -0.000 0.000 0.314 4 R C -0.780 175.580 176.300 0.101 0.000 0.959 4 R CA -0.456 55.684 56.100 0.066 0.000 0.851 4 R CB 2.005 32.332 30.300 0.045 0.000 1.168 4 R HN 0.661 nan 8.270 nan 0.000 0.472 5 V N 0.404 120.417 119.914 0.164 0.000 3.103 5 V HA 0.785 4.905 4.120 -0.000 0.000 0.318 5 V C -0.658 175.616 176.094 0.300 0.000 1.114 5 V CA -0.996 61.429 62.300 0.208 0.000 1.020 5 V CB 2.155 34.115 31.823 0.230 0.000 1.085 5 V HN 0.804 nan 8.190 nan 0.000 0.446 6 R N 2.365 123.038 120.500 0.288 0.000 2.707 6 R HA 0.643 4.983 4.340 -0.000 0.000 0.272 6 R C -2.295 174.209 176.300 0.340 0.000 1.011 6 R CA -0.838 55.446 56.100 0.308 0.000 0.893 6 R CB 1.448 31.832 30.300 0.139 0.000 1.233 6 R HN 0.893 nan 8.270 nan 0.000 0.464 7 L N 1.522 122.969 121.223 0.373 0.000 2.295 7 L HA 0.713 5.052 4.340 -0.000 0.000 0.285 7 L C -0.499 176.418 176.870 0.078 0.000 1.035 7 L CA 0.002 54.998 54.840 0.260 0.000 0.806 7 L CB 1.663 43.926 42.059 0.340 0.000 1.214 7 L HN 0.916 nan 8.230 nan 0.000 0.426 8 A N 6.697 129.560 122.820 0.072 0.000 3.064 8 A HA 0.616 4.936 4.320 -0.000 0.000 0.339 8 A C -2.610 174.995 177.584 0.036 0.000 1.078 8 A CA -1.093 50.957 52.037 0.022 0.000 0.869 8 A CB -0.590 18.423 19.000 0.021 0.000 1.067 8 A HN 0.507 nan 8.150 nan 0.000 0.480 9 P HA 0.348 nan 4.420 nan 0.000 0.281 9 P C -0.217 177.093 177.300 0.017 0.000 1.249 9 P CA -0.115 62.999 63.100 0.024 0.000 0.810 9 P CB 1.499 33.203 31.700 0.007 0.000 1.008 10 S N 1.459 117.180 115.700 0.035 0.000 2.429 10 S HA 0.402 4.871 4.470 -0.000 0.000 0.302 10 S C -2.200 172.422 174.600 0.036 0.000 1.115 10 S CA -1.625 56.600 58.200 0.042 0.000 1.095 10 S CB 0.676 63.904 63.200 0.046 0.000 0.987 10 S HN 0.338 nan 8.310 nan 0.000 0.474 11 P HA 0.141 nan 4.420 nan 0.000 0.226 11 P C 0.619 178.015 177.300 0.159 0.000 1.783 11 P CA -0.194 62.985 63.100 0.132 0.000 0.980 11 P CB -0.584 31.229 31.700 0.188 0.000 1.967 12 T N -2.550 111.985 114.554 -0.032 0.000 3.010 12 T HA 0.457 4.807 4.350 -0.000 0.000 0.257 12 T C 0.767 175.144 174.700 -0.539 0.000 1.020 12 T CA 0.068 62.109 62.100 -0.099 0.000 0.938 12 T CB 0.416 69.258 68.868 -0.043 0.000 1.049 12 T HN 0.258 nan 8.240 nan 0.000 0.522 13 G N 0.477 108.749 108.800 -0.880 0.000 2.600 13 G HA2 0.504 4.464 3.960 -0.000 0.000 0.293 13 G HA3 0.504 4.464 3.960 -0.000 0.000 0.293 13 G C -1.685 172.739 174.900 -0.793 0.000 1.408 13 G CA -0.943 43.461 45.100 -1.159 0.000 0.782 13 G HN 0.097 nan 8.290 nan 0.000 0.482 14 N N -0.685 117.732 118.700 -0.471 0.000 2.424 14 N HA 0.245 4.985 4.740 -0.000 0.000 0.257 14 N C -0.086 175.176 175.510 -0.413 0.000 1.250 14 N CA -0.495 52.402 53.050 -0.255 0.000 0.946 14 N CB 1.434 39.803 38.487 -0.198 0.000 1.175 14 N HN 0.418 nan 8.380 nan 0.000 0.477 15 L N 2.195 123.290 121.223 -0.213 0.000 2.530 15 L HA 0.047 4.387 4.340 -0.000 0.000 0.273 15 L C -0.201 176.561 176.870 -0.180 0.000 1.141 15 L CA 0.478 55.246 54.840 -0.121 0.000 0.905 15 L CB -0.804 41.255 42.059 0.000 0.000 1.202 15 L HN 0.444 nan 8.230 nan 0.000 0.473 16 H N 2.985 122.085 119.070 0.049 0.000 2.517 16 H HA 0.224 4.780 4.556 -0.001 0.000 0.346 16 H C 0.985 176.356 175.328 0.072 0.000 1.222 16 H CA -0.218 55.867 56.048 0.063 0.000 1.314 16 H CB 1.147 30.925 29.762 0.027 0.000 1.609 16 H HN 0.686 nan 8.280 nan 0.000 0.571 17 I N 1.002 121.720 120.570 0.246 0.000 2.194 17 I HA -0.206 3.964 4.170 -0.000 0.000 0.246 17 I C 2.256 178.414 176.117 0.068 0.000 1.093 17 I CA 2.125 63.503 61.300 0.130 0.000 1.355 17 I CB -0.608 37.462 38.000 0.116 0.000 1.046 17 I HN 0.808 nan 8.210 nan 0.000 0.413 18 G N -1.177 107.672 108.800 0.082 0.000 2.446 18 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 18 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 18 G C 1.570 176.505 174.900 0.059 0.000 1.168 18 G CA 1.384 46.519 45.100 0.058 0.000 0.771 18 G HN 0.421 nan 8.290 nan 0.000 0.551 19 T N 1.489 116.095 114.554 0.087 0.000 2.857 19 T HA 0.133 4.483 4.350 -0.000 0.000 0.266 19 T C 2.775 177.508 174.700 0.055 0.000 1.048 19 T CA 1.271 63.422 62.100 0.085 0.000 1.139 19 T CB -0.253 68.677 68.868 0.102 0.000 0.874 19 T HN 0.358 nan 8.240 nan 0.000 0.455 20 A N 1.610 124.454 122.820 0.041 0.000 1.969 20 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 20 A C 2.301 179.825 177.584 -0.101 0.000 1.169 20 A CA 1.290 53.332 52.037 0.008 0.000 0.635 20 A CB -0.511 18.507 19.000 0.030 0.000 0.810 20 A HN 0.373 nan 8.150 nan 0.000 0.445 21 R N -0.591 119.820 120.500 -0.149 0.000 2.073 21 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 21 R C 2.153 178.162 176.300 -0.486 0.000 1.134 21 R CA 2.026 57.902 56.100 -0.372 0.000 0.952 21 R CB -0.648 29.465 30.300 -0.312 0.000 0.850 21 R HN 0.473 nan 8.270 nan 0.000 0.433 22 T N 0.947 115.407 114.554 -0.156 0.000 2.635 22 T HA -0.228 4.121 4.350 -0.000 0.000 0.267 22 T C 1.848 176.538 174.700 -0.017 0.000 1.040 22 T CA 1.738 63.849 62.100 0.018 0.000 1.156 22 T CB -0.477 68.457 68.868 0.110 0.000 0.863 22 T HN 0.495 nan 8.240 nan 0.000 0.430 23 A N 0.853 123.669 122.820 -0.007 0.000 1.917 23 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 23 A C 2.624 180.103 177.584 -0.175 0.000 1.182 23 A CA 1.803 53.849 52.037 0.015 0.000 0.633 23 A CB -1.190 17.911 19.000 0.169 0.000 0.819 23 A HN 0.365 nan 8.150 nan 0.000 0.448 24 V N -0.950 118.816 119.914 -0.247 0.000 2.255 24 V HA -0.262 3.857 4.120 -0.000 0.000 0.247 24 V C 2.368 178.281 176.094 -0.301 0.000 1.051 24 V CA 2.274 64.388 62.300 -0.310 0.000 1.018 24 V CB -1.002 30.565 31.823 -0.426 0.000 0.641 24 V HN 0.564 nan 8.190 nan 0.000 0.445 25 F N 0.841 120.634 119.950 -0.262 0.000 2.134 25 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 25 F C 2.176 177.774 175.800 -0.337 0.000 1.097 25 F CA 1.496 59.234 58.000 -0.435 0.000 1.264 25 F CB -1.526 37.424 39.000 -0.084 0.000 1.001 25 F HN 0.230 nan 8.300 nan 0.000 0.479 26 N N -1.208 117.465 118.700 -0.044 0.000 2.043 26 N HA -0.257 4.483 4.740 -0.000 0.000 0.193 26 N C 1.696 176.970 175.510 -0.393 0.000 1.037 26 N CA 1.517 54.466 53.050 -0.170 0.000 0.851 26 N CB -0.545 37.774 38.487 -0.281 0.000 1.027 26 N HN 0.321 nan 8.380 nan 0.000 0.422 27 W N 1.558 122.369 121.300 -0.816 0.000 2.338 27 W HA -0.095 4.565 4.660 0.000 0.000 0.304 27 W C 1.607 177.919 176.519 -0.345 0.000 1.212 27 W CA 1.193 58.163 57.345 -0.624 0.000 1.264 27 W CB -0.307 28.886 29.460 -0.446 0.000 1.142 27 W HN 0.040 nan 8.180 nan 0.000 0.512 28 L N -1.025 120.095 121.223 -0.172 0.000 2.017 28 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 28 L C 2.395 179.066 176.870 -0.332 0.000 1.073 28 L CA 1.543 56.158 54.840 -0.374 0.000 0.745 28 L CB -1.223 40.333 42.059 -0.839 0.000 0.894 28 L HN 0.035 nan 8.230 nan 0.000 0.432 29 Y N 0.466 120.536 120.300 -0.383 0.000 2.314 29 Y HA -0.154 4.396 4.550 -0.001 0.000 0.293 29 Y C 2.411 178.275 175.900 -0.059 0.000 1.129 29 Y CA 0.847 58.894 58.100 -0.088 0.000 1.201 29 Y CB -0.225 38.309 38.460 0.124 0.000 0.999 29 Y HN 0.095 nan 8.280 nan 0.000 0.541 30 A N -0.122 122.583 122.820 -0.192 0.000 1.897 30 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 30 A C 2.216 179.606 177.584 -0.323 0.000 1.181 30 A CA 1.611 53.503 52.037 -0.242 0.000 0.620 30 A CB -0.499 18.412 19.000 -0.149 0.000 0.821 30 A HN 0.356 nan 8.150 nan 0.000 0.443 31 R N -0.953 119.271 120.500 -0.460 0.000 2.115 31 R HA -0.077 4.263 4.340 -0.000 0.000 0.226 31 R C 2.087 178.202 176.300 -0.309 0.000 1.100 31 R CA 1.534 57.333 56.100 -0.501 0.000 0.980 31 R CB -0.753 29.005 30.300 -0.903 0.000 0.875 31 R HN 0.762 nan 8.270 nan 0.000 0.445 32 H N -0.033 118.843 119.070 -0.323 0.000 2.321 32 H HA 0.023 4.579 4.556 -0.001 0.000 0.300 32 H C 0.710 175.892 175.328 -0.243 0.000 1.087 32 H CA 1.304 57.214 56.048 -0.229 0.000 1.319 32 H CB 0.424 30.104 29.762 -0.137 0.000 1.379 32 H HN -0.019 nan 8.280 nan 0.000 0.501 33 R N 0.041 120.427 120.500 -0.191 0.000 2.356 33 R HA 0.067 4.406 4.340 -0.000 0.000 0.234 33 R C 0.863 177.049 176.300 -0.191 0.000 0.929 33 R CA 0.508 56.477 56.100 -0.218 0.000 1.084 33 R CB -0.219 29.849 30.300 -0.388 0.000 1.105 33 R HN 0.558 nan 8.270 nan 0.000 0.515 34 G N 0.839 109.521 108.800 -0.197 0.000 2.283 34 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.280 34 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.280 34 G C 0.462 175.286 174.900 -0.126 0.000 1.029 34 G CA 0.550 45.556 45.100 -0.158 0.000 0.840 34 G HN 0.565 nan 8.290 nan 0.000 0.505 35 G N -1.192 107.524 108.800 -0.139 0.000 2.828 35 G HA2 0.685 4.645 3.960 -0.000 0.000 0.244 35 G HA3 0.685 4.645 3.960 -0.000 0.000 0.244 35 G C -0.208 174.661 174.900 -0.052 0.000 1.365 35 G CA -0.748 44.300 45.100 -0.086 0.000 1.041 35 G HN 0.286 nan 8.290 nan 0.000 0.560 36 K N -0.554 119.853 120.400 0.012 0.000 2.156 36 K HA 0.448 4.768 4.320 -0.000 0.000 0.250 36 K C -1.796 174.919 176.600 0.192 0.000 0.955 36 K CA -0.644 55.692 56.287 0.082 0.000 0.855 36 K CB 2.521 35.074 32.500 0.088 0.000 1.101 36 K HN 0.286 nan 8.250 nan 0.000 0.434 37 F N 2.734 122.718 119.950 0.058 0.000 2.427 37 F HA 0.402 4.929 4.527 -0.001 0.000 0.348 37 F C -0.988 174.923 175.800 0.184 0.000 1.125 37 F CA -1.735 56.339 58.000 0.123 0.000 0.989 37 F CB 0.423 39.517 39.000 0.157 0.000 1.165 37 F HN 0.310 nan 8.300 nan 0.000 0.442 38 I N 6.506 127.170 120.570 0.157 0.000 2.385 38 I HA 0.308 4.478 4.170 -0.000 0.000 0.294 38 I C -0.939 175.030 176.117 -0.247 0.000 0.988 38 I CA -0.653 60.649 61.300 0.003 0.000 1.265 38 I CB 1.509 39.600 38.000 0.151 0.000 1.388 38 I HN 0.477 nan 8.210 nan 0.000 0.480 39 L N 7.288 128.276 121.223 -0.391 0.000 2.276 39 L HA 0.505 4.844 4.340 -0.000 0.000 0.286 39 L C -0.282 176.386 176.870 -0.335 0.000 1.024 39 L CA -0.205 54.316 54.840 -0.532 0.000 0.826 39 L CB 0.402 41.816 42.059 -1.076 0.000 1.211 39 L HN 0.568 nan 8.230 nan 0.000 0.422 40 R N 5.763 126.145 120.500 -0.197 0.000 2.310 40 R HA 0.511 4.851 4.340 -0.000 0.000 0.324 40 R C -1.158 175.017 176.300 -0.208 0.000 0.955 40 R CA -0.750 55.268 56.100 -0.136 0.000 0.830 40 R CB 0.850 31.129 30.300 -0.034 0.000 1.154 40 R HN 0.526 nan 8.270 nan 0.000 0.458 41 I N 4.618 124.986 120.570 -0.338 0.000 2.301 41 I HA 0.121 4.290 4.170 -0.000 0.000 0.292 41 I C 0.207 176.275 176.117 -0.082 0.000 1.046 41 I CA -0.074 61.058 61.300 -0.281 0.000 1.282 41 I CB 1.300 38.963 38.000 -0.561 0.000 1.409 41 I HN 0.646 nan 8.210 nan 0.000 0.484 42 E N 5.598 125.789 120.200 -0.016 0.000 1.892 42 E HA 0.039 4.388 4.350 -0.000 0.000 0.271 42 E C -0.221 176.426 176.600 0.078 0.000 1.146 42 E CA -0.110 56.307 56.400 0.028 0.000 1.096 42 E CB 0.237 29.952 29.700 0.025 0.000 1.155 42 E HN 0.460 nan 8.360 nan 0.000 0.458 43 D N 0.838 121.315 120.400 0.128 0.000 2.722 43 D HA -0.068 4.571 4.640 -0.000 0.000 0.239 43 D C 1.254 177.655 176.300 0.169 0.000 1.249 43 D CA -0.188 53.909 54.000 0.162 0.000 0.830 43 D CB 0.065 41.007 40.800 0.237 0.000 1.025 43 D HN 0.205 nan 8.370 nan 0.000 0.486 44 T N -3.327 111.319 114.554 0.154 0.000 2.985 44 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 44 T C 0.769 175.646 174.700 0.294 0.000 1.076 44 T CA 0.219 62.471 62.100 0.253 0.000 1.135 44 T CB -0.314 68.633 68.868 0.132 0.000 0.890 44 T HN -0.027 nan 8.240 nan 0.000 0.480 45 D N 1.450 121.946 120.400 0.160 0.000 2.346 45 D HA 0.152 4.792 4.640 -0.000 0.000 0.267 45 D C 1.150 177.472 176.300 0.037 0.000 1.320 45 D CA -0.150 53.892 54.000 0.071 0.000 0.951 45 D CB 0.583 41.411 40.800 0.047 0.000 1.079 45 D HN 0.313 nan 8.370 nan 0.000 0.509 46 R N 2.432 122.914 120.500 -0.030 0.000 2.090 46 R HA -0.060 4.280 4.340 -0.000 0.000 0.228 46 R C 1.855 178.143 176.300 -0.020 0.000 1.110 46 R CA 0.700 56.783 56.100 -0.028 0.000 0.973 46 R CB 0.051 30.293 30.300 -0.097 0.000 0.869 46 R HN 0.515 nan 8.270 nan 0.000 0.440 47 E N 0.974 121.151 120.200 -0.038 0.000 2.110 47 E HA -0.190 4.159 4.350 -0.000 0.000 0.193 47 E C 1.414 178.021 176.600 0.012 0.000 0.988 47 E CA 1.200 57.587 56.400 -0.023 0.000 0.804 47 E CB 0.248 29.926 29.700 -0.036 0.000 0.745 47 E HN 0.302 nan 8.360 nan 0.000 0.458 48 R N -0.573 119.944 120.500 0.029 0.000 2.419 48 R HA 0.217 4.557 4.340 -0.000 0.000 0.235 48 R C 0.285 176.654 176.300 0.115 0.000 0.899 48 R CA -0.165 55.973 56.100 0.063 0.000 1.048 48 R CB 0.905 31.226 30.300 0.035 0.000 1.182 48 R HN -0.131 nan 8.270 nan 0.000 0.544 49 S N 1.521 117.282 115.700 0.101 0.000 2.528 49 S HA 0.322 4.791 4.470 -0.000 0.000 0.277 49 S C -0.168 174.512 174.600 0.133 0.000 1.297 49 S CA -0.118 58.166 58.200 0.140 0.000 1.052 49 S CB 1.061 64.333 63.200 0.121 0.000 0.917 49 S HN 0.155 nan 8.310 nan 0.000 0.492 50 R N 2.426 123.034 120.500 0.180 0.000 2.604 50 R HA 0.343 4.683 4.340 -0.000 0.000 0.281 50 R C -2.020 174.291 176.300 0.018 0.000 1.020 50 R CA -1.813 54.315 56.100 0.047 0.000 0.899 50 R CB 1.681 31.936 30.300 -0.074 0.000 1.205 50 R HN 0.308 nan 8.270 nan 0.000 0.450 51 P HA -0.217 nan 4.420 nan 0.000 0.220 51 P C 0.356 177.633 177.300 -0.039 0.000 1.148 51 P CA 1.287 64.379 63.100 -0.013 0.000 0.803 51 P CB 0.323 31.998 31.700 -0.042 0.000 0.782 52 E N -0.663 119.443 120.200 -0.157 0.000 2.110 52 E HA -0.219 4.130 4.350 -0.000 0.000 0.193 52 E C 1.615 178.141 176.600 -0.122 0.000 0.988 52 E CA 1.079 57.358 56.400 -0.202 0.000 0.804 52 E CB -1.125 28.370 29.700 -0.342 0.000 0.745 52 E HN 0.187 nan 8.360 nan 0.000 0.458 53 Y N 1.923 122.230 120.300 0.012 0.000 2.263 53 Y HA -0.057 4.493 4.550 -0.001 0.000 0.292 53 Y C 2.666 178.575 175.900 0.016 0.000 1.130 53 Y CA 1.236 59.340 58.100 0.007 0.000 1.179 53 Y CB -0.802 37.666 38.460 0.012 0.000 0.998 53 Y HN 0.055 nan 8.280 nan 0.000 0.532 54 T N -0.274 114.391 114.554 0.186 0.000 2.652 54 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 54 T C 1.797 176.558 174.700 0.102 0.000 1.039 54 T CA 1.795 63.981 62.100 0.142 0.000 1.153 54 T CB -0.234 68.761 68.868 0.211 0.000 0.863 54 T HN 0.184 nan 8.240 nan 0.000 0.428 55 E N 1.693 121.945 120.200 0.087 0.000 2.051 55 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 55 E C 2.164 178.805 176.600 0.069 0.000 0.991 55 E CA 1.111 57.553 56.400 0.070 0.000 0.799 55 E CB -0.542 29.180 29.700 0.037 0.000 0.748 55 E HN 0.383 nan 8.360 nan 0.000 0.449 56 N N 0.275 119.016 118.700 0.068 0.000 2.069 56 N HA -0.184 4.556 4.740 -0.000 0.000 0.191 56 N C 2.027 177.577 175.510 0.067 0.000 1.031 56 N CA 1.737 54.825 53.050 0.064 0.000 0.852 56 N CB -0.232 38.310 38.487 0.092 0.000 1.018 56 N HN 0.256 nan 8.380 nan 0.000 0.423 57 I N 1.242 121.853 120.570 0.068 0.000 2.118 57 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 57 I C 2.304 178.456 176.117 0.058 0.000 1.070 57 I CA 1.066 62.391 61.300 0.043 0.000 1.327 57 I CB -0.279 37.726 38.000 0.007 0.000 1.034 57 I HN 0.148 nan 8.210 nan 0.000 0.405 58 L N -0.074 121.183 121.223 0.057 0.000 2.083 58 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 58 L C 2.433 179.463 176.870 0.266 0.000 1.083 58 L CA 1.389 56.315 54.840 0.144 0.000 0.752 58 L CB -0.649 41.506 42.059 0.159 0.000 0.899 58 L HN 0.270 nan 8.230 nan 0.000 0.433 59 E N 0.137 120.441 120.200 0.173 0.000 2.046 59 E HA -0.135 4.214 4.350 -0.000 0.000 0.190 59 E C 2.285 179.004 176.600 0.198 0.000 0.982 59 E CA 0.961 57.455 56.400 0.156 0.000 0.800 59 E CB -0.265 29.481 29.700 0.077 0.000 0.756 59 E HN 0.524 nan 8.360 nan 0.000 0.449 60 G N 1.267 110.172 108.800 0.174 0.000 2.421 60 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 60 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 60 G C 1.581 176.646 174.900 0.275 0.000 1.171 60 G CA 0.523 45.761 45.100 0.230 0.000 0.775 60 G HN 0.078 nan 8.290 nan 0.000 0.543 61 L N -0.222 121.150 121.223 0.247 0.000 2.012 61 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 61 L C 3.175 180.192 176.870 0.244 0.000 1.073 61 L CA 1.463 56.470 54.840 0.279 0.000 0.748 61 L CB -0.504 41.791 42.059 0.393 0.000 0.891 61 L HN 0.284 nan 8.230 nan 0.000 0.431 62 Q N -1.280 118.681 119.800 0.268 0.000 2.046 62 Q HA -0.255 4.084 4.340 -0.000 0.000 0.200 62 Q C 2.035 178.098 176.000 0.105 0.000 0.975 62 Q CA 1.905 57.780 55.803 0.120 0.000 0.836 62 Q CB -0.309 28.494 28.738 0.107 0.000 0.896 62 Q HN 0.521 nan 8.270 nan 0.000 0.428 63 W N 1.331 122.631 121.300 0.000 0.000 2.338 63 W HA -0.188 4.472 4.660 0.000 0.000 0.304 63 W C 1.394 177.877 176.519 -0.060 0.000 1.212 63 W CA 1.344 58.676 57.345 -0.020 0.000 1.264 63 W CB -0.230 29.234 29.460 0.007 0.000 1.142 63 W HN 0.058 nan 8.180 nan 0.000 0.512 64 L N 0.624 121.775 121.223 -0.120 0.000 2.465 64 L HA 0.097 4.437 4.340 -0.000 0.000 0.224 64 L C 2.058 178.692 176.870 -0.394 0.000 1.145 64 L CA 1.037 55.673 54.840 -0.339 0.000 0.834 64 L CB -1.073 40.889 42.059 -0.163 0.000 0.944 64 L HN 0.342 nan 8.230 nan 0.000 0.451 65 G N 0.070 108.682 108.800 -0.314 0.000 2.141 65 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.242 65 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.242 65 G C 0.306 174.879 174.900 -0.544 0.000 0.982 65 G CA -0.232 44.642 45.100 -0.377 0.000 0.662 65 G HN 0.253 nan 8.290 nan 0.000 0.527 66 L N 2.975 123.961 121.223 -0.395 0.000 2.480 66 L HA 0.275 4.615 4.340 -0.000 0.000 0.243 66 L C 1.411 178.387 176.870 0.176 0.000 1.315 66 L CA 0.182 54.831 54.840 -0.320 0.000 1.231 66 L CB -0.497 41.542 42.059 -0.033 0.000 1.444 66 L HN 0.401 nan 8.230 nan 0.000 0.409 67 T N -2.066 112.553 114.554 0.107 0.000 2.888 67 T HA 0.127 4.477 4.350 -0.000 0.000 0.301 67 T C -0.365 174.554 174.700 0.365 0.000 1.001 67 T CA -0.655 61.492 62.100 0.077 0.000 1.147 67 T CB 0.319 69.234 68.868 0.079 0.000 0.931 67 T HN 0.400 nan 8.240 nan 0.000 0.541 68 W N 2.023 123.375 121.300 0.087 0.000 2.496 68 W HA 0.617 5.276 4.660 -0.001 0.000 0.327 68 W C 0.122 176.617 176.519 -0.040 0.000 1.086 68 W CA -1.401 55.875 57.345 -0.115 0.000 1.222 68 W CB 0.771 29.952 29.460 -0.465 0.000 1.304 68 W HN 0.507 nan 8.180 nan 0.000 0.547 69 D N 1.052 121.560 120.400 0.181 0.000 2.213 69 D HA -0.054 4.586 4.640 -0.000 0.000 0.205 69 D C -0.234 176.135 176.300 0.116 0.000 0.961 69 D CA 1.174 55.235 54.000 0.103 0.000 0.853 69 D CB 0.477 41.340 40.800 0.106 0.000 0.967 69 D HN 0.576 nan 8.370 nan 0.000 0.496 70 E N -0.646 119.650 120.200 0.160 0.000 2.293 70 E HA 0.513 4.863 4.350 -0.000 0.000 0.270 70 E C -0.098 176.441 176.600 -0.101 0.000 0.879 70 E CA -0.654 55.787 56.400 0.067 0.000 0.756 70 E CB 2.919 32.722 29.700 0.172 0.000 1.208 70 E HN 0.095 nan 8.360 nan 0.000 0.428 71 G N 2.387 110.884 108.800 -0.505 0.000 2.549 71 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.404 71 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.404 71 G C -2.811 171.900 174.900 -0.315 0.000 1.292 71 G CA -1.098 43.544 45.100 -0.765 0.000 0.935 71 G HN 0.429 nan 8.290 nan 0.000 0.512 72 P HA 0.493 nan 4.420 nan 0.000 0.276 72 P C -0.993 175.947 177.300 -0.600 0.000 1.230 72 P CA 0.025 62.714 63.100 -0.685 0.000 0.776 72 P CB 0.348 31.591 31.700 -0.762 0.000 0.888 73 Y N 1.743 121.808 120.300 -0.393 0.000 2.335 73 Y HA 0.455 5.005 4.550 -0.000 0.000 0.323 73 Y C 0.409 176.061 175.900 -0.413 0.000 1.224 73 Y CA -0.131 57.834 58.100 -0.224 0.000 1.241 73 Y CB 0.826 39.216 38.460 -0.116 0.000 1.235 73 Y HN 0.216 nan 8.280 nan 0.000 0.492 74 F N 0.708 120.748 119.950 0.151 0.000 2.493 74 F HA 0.306 4.833 4.527 -0.001 0.000 0.329 74 F C 1.013 176.879 175.800 0.111 0.000 1.126 74 F CA -0.796 57.258 58.000 0.091 0.000 0.937 74 F CB 1.883 40.918 39.000 0.059 0.000 1.146 74 F HN 0.532 nan 8.300 nan 0.000 0.442 75 Q N 0.782 120.734 119.800 0.254 0.000 2.291 75 Q HA -0.127 4.213 4.340 -0.000 0.000 0.206 75 Q C 1.893 178.073 176.000 0.301 0.000 0.976 75 Q CA 1.556 57.528 55.803 0.280 0.000 0.875 75 Q CB -0.059 28.780 28.738 0.168 0.000 0.927 75 Q HN 0.757 nan 8.270 nan 0.000 0.450 76 S N -0.075 115.786 115.700 0.267 0.000 2.562 76 S HA -0.033 4.437 4.470 -0.000 0.000 0.221 76 S C 0.721 175.405 174.600 0.140 0.000 0.975 76 S CA 0.383 58.705 58.200 0.203 0.000 0.918 76 S CB 0.230 63.534 63.200 0.174 0.000 0.772 76 S HN 0.164 nan 8.310 nan 0.000 0.531 77 D N 1.392 121.882 120.400 0.150 0.000 2.342 77 D HA 0.230 4.869 4.640 -0.000 0.000 0.221 77 D C 0.821 177.138 176.300 0.027 0.000 1.101 77 D CA 0.103 54.155 54.000 0.087 0.000 0.837 77 D CB 0.233 41.107 40.800 0.123 0.000 0.938 77 D HN 0.453 nan 8.370 nan 0.000 0.508 78 R N -0.206 120.289 120.500 -0.007 0.000 2.592 78 R HA 0.295 4.635 4.340 -0.000 0.000 0.439 78 R C 1.538 177.568 176.300 -0.450 0.000 0.995 78 R CA -0.048 55.925 56.100 -0.210 0.000 1.141 78 R CB 0.569 30.738 30.300 -0.218 0.000 1.495 78 R HN 0.007 nan 8.270 nan 0.000 0.579 79 L N 0.289 121.408 121.223 -0.174 0.000 2.079 79 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 79 L C 1.493 178.239 176.870 -0.207 0.000 1.081 79 L CA 1.525 56.303 54.840 -0.104 0.000 0.752 79 L CB -0.190 41.875 42.059 0.010 0.000 0.896 79 L HN 0.164 nan 8.230 nan 0.000 0.433 80 D N -0.381 119.898 120.400 -0.202 0.000 2.347 80 D HA -0.067 4.573 4.640 -0.000 0.000 0.215 80 D C 2.239 178.404 176.300 -0.226 0.000 0.976 80 D CA 0.410 54.313 54.000 -0.162 0.000 0.884 80 D CB 0.159 40.896 40.800 -0.106 0.000 0.915 80 D HN 0.203 nan 8.370 nan 0.000 0.526 81 L N -0.416 120.561 121.223 -0.411 0.000 2.109 81 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 81 L C 1.633 178.304 176.870 -0.333 0.000 1.086 81 L CA 0.758 55.348 54.840 -0.417 0.000 0.760 81 L CB -0.369 41.349 42.059 -0.569 0.000 0.910 81 L HN 0.192 nan 8.230 nan 0.000 0.437 82 Y N -0.927 119.294 120.300 -0.131 0.000 2.286 82 Y HA -0.088 4.462 4.550 -0.000 0.000 0.293 82 Y C 2.714 178.530 175.900 -0.140 0.000 1.124 82 Y CA 0.425 58.430 58.100 -0.159 0.000 1.178 82 Y CB -0.749 37.591 38.460 -0.199 0.000 1.010 82 Y HN 0.019 nan 8.280 nan 0.000 0.536 83 R N 0.631 121.121 120.500 -0.017 0.000 2.091 83 R HA -0.248 4.092 4.340 -0.000 0.000 0.238 83 R C 2.208 178.484 176.300 -0.039 0.000 1.136 83 R CA 1.927 58.008 56.100 -0.031 0.000 0.959 83 R CB -0.193 30.085 30.300 -0.037 0.000 0.856 83 R HN 0.310 nan 8.270 nan 0.000 0.437 84 Q N 0.488 120.251 119.800 -0.061 0.000 2.030 84 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 84 Q C 1.879 177.850 176.000 -0.048 0.000 0.986 84 Q CA 2.481 58.252 55.803 -0.055 0.000 0.843 84 Q CB -0.601 28.095 28.738 -0.071 0.000 0.904 84 Q HN 0.382 nan 8.270 nan 0.000 0.420 85 A N 0.269 123.054 122.820 -0.057 0.000 1.903 85 A HA -0.227 4.092 4.320 -0.000 0.000 0.219 85 A C 2.244 179.795 177.584 -0.056 0.000 1.191 85 A CA 1.925 53.927 52.037 -0.059 0.000 0.638 85 A CB -0.959 18.002 19.000 -0.066 0.000 0.823 85 A HN 0.503 nan 8.150 nan 0.000 0.451 86 I N -1.317 119.220 120.570 -0.055 0.000 2.163 86 I HA -0.262 3.908 4.170 -0.000 0.000 0.240 86 I C 2.750 178.839 176.117 -0.047 0.000 1.081 86 I CA 1.727 62.991 61.300 -0.060 0.000 1.353 86 I CB -0.350 37.611 38.000 -0.065 0.000 1.054 86 I HN 0.378 nan 8.210 nan 0.000 0.407 87 Q N 0.816 120.595 119.800 -0.034 0.000 2.152 87 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 87 Q C 2.065 178.056 176.000 -0.015 0.000 0.985 87 Q CA 2.541 58.332 55.803 -0.021 0.000 0.863 87 Q CB -0.614 28.120 28.738 -0.007 0.000 0.904 87 Q HN 0.425 nan 8.270 nan 0.000 0.422 88 T N 0.675 115.221 114.554 -0.014 0.000 2.652 88 T HA -0.142 4.207 4.350 -0.000 0.000 0.267 88 T C 1.725 176.431 174.700 0.010 0.000 1.039 88 T CA 1.602 63.700 62.100 -0.003 0.000 1.153 88 T CB -0.352 68.511 68.868 -0.008 0.000 0.863 88 T HN 0.267 nan 8.240 nan 0.000 0.428 89 L N 0.342 121.573 121.223 0.013 0.000 2.083 89 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 89 L C 2.539 179.426 176.870 0.029 0.000 1.083 89 L CA 1.000 55.872 54.840 0.053 0.000 0.752 89 L CB -0.665 41.454 42.059 0.099 0.000 0.899 89 L HN 0.242 nan 8.230 nan 0.000 0.433 90 L N -0.352 120.856 121.223 -0.024 0.000 1.989 90 L HA -0.258 4.082 4.340 -0.000 0.000 0.211 90 L C 2.309 179.171 176.870 -0.012 0.000 1.071 90 L CA 1.331 56.134 54.840 -0.062 0.000 0.749 90 L CB -0.589 41.390 42.059 -0.133 0.000 0.890 90 L HN 0.293 nan 8.230 nan 0.000 0.431 91 D N 0.031 120.433 120.400 0.003 0.000 2.144 91 D HA -0.175 4.465 4.640 -0.000 0.000 0.199 91 D C 2.075 178.392 176.300 0.028 0.000 0.984 91 D CA 1.254 55.267 54.000 0.020 0.000 0.834 91 D CB -0.052 40.760 40.800 0.019 0.000 0.955 91 D HN 0.253 nan 8.370 nan 0.000 0.465 92 K N -0.722 119.696 120.400 0.031 0.000 2.459 92 K HA 0.142 4.462 4.320 -0.000 0.000 0.193 92 K C 1.159 177.785 176.600 0.042 0.000 1.030 92 K CA 0.546 56.856 56.287 0.038 0.000 1.026 92 K CB 0.474 33.001 32.500 0.045 0.000 0.809 92 K HN 0.160 nan 8.250 nan 0.000 0.504 93 G N 1.089 109.915 108.800 0.042 0.000 2.143 93 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.249 93 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.249 93 G C 0.603 175.535 174.900 0.053 0.000 0.981 93 G CA 0.127 45.258 45.100 0.051 0.000 0.665 93 G HN 0.243 nan 8.290 nan 0.000 0.528 94 L N -0.453 120.802 121.223 0.053 0.000 2.446 94 L HA 0.532 4.871 4.340 -0.000 0.000 0.219 94 L C 1.515 178.412 176.870 0.044 0.000 1.116 94 L CA 0.973 55.834 54.840 0.033 0.000 0.844 94 L CB -0.094 42.029 42.059 0.107 0.000 0.970 94 L HN 0.554 nan 8.230 nan 0.000 0.457 95 A N -0.547 122.320 122.820 0.078 0.000 2.469 95 A HA 0.706 5.025 4.320 -0.000 0.000 0.299 95 A C -1.425 176.176 177.584 0.028 0.000 1.098 95 A CA -0.396 51.664 52.037 0.038 0.000 0.737 95 A CB 1.323 20.328 19.000 0.007 0.000 1.312 95 A HN 0.183 nan 8.150 nan 0.000 0.414 96 Y N -1.937 118.274 120.300 -0.147 0.000 2.655 96 Y HA 0.748 5.298 4.550 -0.000 0.000 0.336 96 Y C -1.622 174.158 175.900 -0.199 0.000 1.154 96 Y CA -1.776 56.215 58.100 -0.182 0.000 1.055 96 Y CB 0.675 39.101 38.460 -0.057 0.000 1.295 96 Y HN 0.515 nan 8.280 nan 0.000 0.465 97 Y N 1.252 121.648 120.300 0.159 0.000 2.365 97 Y HA 0.426 4.976 4.550 -0.001 0.000 0.340 97 Y C 0.180 176.084 175.900 0.006 0.000 1.016 97 Y CA -0.880 57.184 58.100 -0.061 0.000 1.196 97 Y CB 1.145 39.566 38.460 -0.063 0.000 1.167 97 Y HN 0.896 nan 8.280 nan 0.000 0.509 98 C N 5.556 124.828 119.300 -0.046 0.000 2.322 98 C HA 0.424 4.884 4.460 -0.000 0.000 0.324 98 C C 0.168 175.049 174.990 -0.180 0.000 1.284 98 C CA -0.758 58.315 59.018 0.092 0.000 1.606 98 C CB -1.012 26.718 27.740 -0.017 0.000 2.251 98 C HN 0.889 nan 8.230 nan 0.000 0.502 99 Y N 2.716 123.113 120.300 0.163 0.000 2.571 99 Y HA 0.255 4.805 4.550 -0.000 0.000 0.275 99 Y C 1.626 177.411 175.900 -0.193 0.000 1.179 99 Y CA -0.367 57.609 58.100 -0.207 0.000 1.242 99 Y CB -0.181 37.737 38.460 -0.902 0.000 1.126 99 Y HN 0.633 nan 8.280 nan 0.000 0.524 100 C N 2.521 121.830 119.300 0.016 0.000 2.651 100 C HA 0.181 4.640 4.460 -0.000 0.000 0.410 100 C C 1.350 176.318 174.990 -0.035 0.000 1.372 100 C CA -0.479 58.512 59.018 -0.044 0.000 1.707 100 C CB -1.104 26.595 27.740 -0.069 0.000 2.501 100 C HN 0.552 nan 8.230 nan 0.000 0.598 101 T N 3.036 117.587 114.554 -0.005 0.000 2.813 101 T HA 0.178 4.528 4.350 -0.000 0.000 0.297 101 T C -1.700 173.000 174.700 -0.001 0.000 1.036 101 T CA -1.099 61.002 62.100 0.003 0.000 1.044 101 T CB 0.634 69.519 68.868 0.027 0.000 0.993 101 T HN 0.421 nan 8.240 nan 0.000 0.535 102 P HA -0.007 nan 4.420 nan 0.000 0.220 102 P C 1.366 178.672 177.300 0.010 0.000 1.148 102 P CA 0.713 63.812 63.100 -0.003 0.000 0.803 102 P CB 0.091 31.787 31.700 -0.006 0.000 0.782 103 E N 0.078 120.288 120.200 0.018 0.000 2.077 103 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 103 E C 1.802 178.420 176.600 0.030 0.000 0.989 103 E CA 1.339 57.754 56.400 0.025 0.000 0.800 103 E CB -0.317 29.401 29.700 0.031 0.000 0.746 103 E HN 0.307 nan 8.360 nan 0.000 0.452 104 E N -0.400 119.820 120.200 0.034 0.000 2.158 104 E HA -0.060 4.289 4.350 -0.000 0.000 0.191 104 E C 2.061 178.685 176.600 0.039 0.000 0.982 104 E CA 0.496 56.920 56.400 0.040 0.000 0.823 104 E CB 0.034 29.763 29.700 0.048 0.000 0.766 104 E HN 0.245 nan 8.360 nan 0.000 0.468 105 L N 0.983 122.227 121.223 0.035 0.000 2.131 105 L HA -0.186 4.153 4.340 -0.000 0.000 0.210 105 L C 2.579 179.473 176.870 0.039 0.000 1.092 105 L CA 1.156 56.025 54.840 0.048 0.000 0.759 105 L CB -0.257 41.820 42.059 0.029 0.000 0.903 105 L HN 0.195 nan 8.230 nan 0.000 0.435 106 E N 0.386 120.603 120.200 0.028 0.000 2.028 106 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 106 E C 2.288 178.903 176.600 0.025 0.000 0.988 106 E CA 1.093 57.508 56.400 0.024 0.000 0.799 106 E CB -0.025 29.687 29.700 0.019 0.000 0.755 106 E HN 0.410 nan 8.360 nan 0.000 0.447 107 A N 1.283 124.119 122.820 0.027 0.000 1.917 107 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 107 A C 2.184 179.783 177.584 0.024 0.000 1.182 107 A CA 1.743 53.796 52.037 0.026 0.000 0.633 107 A CB -0.797 18.221 19.000 0.030 0.000 0.819 107 A HN 0.417 nan 8.150 nan 0.000 0.448 108 L N -0.320 120.919 121.223 0.027 0.000 2.056 108 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 108 L C 2.442 179.325 176.870 0.022 0.000 1.078 108 L CA 2.472 57.325 54.840 0.021 0.000 0.749 108 L CB -0.559 41.513 42.059 0.021 0.000 0.901 108 L HN 0.455 nan 8.230 nan 0.000 0.433 109 R N -0.245 120.272 120.500 0.029 0.000 2.096 109 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 109 R C 2.103 178.416 176.300 0.021 0.000 1.127 109 R CA 1.405 57.522 56.100 0.027 0.000 0.968 109 R CB -0.427 29.891 30.300 0.031 0.000 0.861 109 R HN 0.528 nan 8.270 nan 0.000 0.440 110 A N 1.001 123.833 122.820 0.020 0.000 1.930 110 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 110 A C 1.904 179.497 177.584 0.015 0.000 1.175 110 A CA 1.241 53.288 52.037 0.017 0.000 0.627 110 A CB -0.286 18.724 19.000 0.017 0.000 0.815 110 A HN 0.361 nan 8.150 nan 0.000 0.443 111 E N -0.058 120.151 120.200 0.015 0.000 2.072 111 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 111 E C 2.174 178.780 176.600 0.011 0.000 0.985 111 E CA 1.198 57.605 56.400 0.012 0.000 0.801 111 E CB -0.341 29.366 29.700 0.012 0.000 0.750 111 E HN 0.767 nan 8.360 nan 0.000 0.452 112 Q N 0.596 120.402 119.800 0.011 0.000 2.084 112 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 112 Q C 2.153 178.161 176.000 0.012 0.000 0.978 112 Q CA 1.284 57.094 55.803 0.011 0.000 0.844 112 Q CB -0.028 28.718 28.738 0.013 0.000 0.898 112 Q HN 0.156 nan 8.270 nan 0.000 0.426 113 K N 0.168 120.576 120.400 0.014 0.000 2.057 113 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 113 K C 1.995 178.602 176.600 0.011 0.000 1.049 113 K CA 1.082 57.377 56.287 0.014 0.000 0.931 113 K CB -0.145 32.364 32.500 0.015 0.000 0.714 113 K HN 0.118 nan 8.250 nan 0.000 0.440 114 A N 1.496 124.323 122.820 0.011 0.000 2.178 114 A HA -0.146 4.173 4.320 -0.000 0.000 0.218 114 A C 1.321 178.910 177.584 0.008 0.000 1.157 114 A CA 1.351 53.394 52.037 0.009 0.000 0.689 114 A CB -0.124 18.882 19.000 0.010 0.000 0.787 114 A HN 0.225 nan 8.150 nan 0.000 0.465 115 K N -2.042 118.363 120.400 0.008 0.000 2.438 115 K HA 0.354 4.673 4.320 -0.000 0.000 0.205 115 K C 0.941 177.545 176.600 0.007 0.000 1.033 115 K CA 0.377 56.668 56.287 0.007 0.000 1.089 115 K CB 0.555 33.059 32.500 0.006 0.000 0.857 115 K HN 0.484 nan 8.250 nan 0.000 0.522 116 G N 1.348 110.153 108.800 0.008 0.000 2.205 116 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.261 116 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.261 116 G C 0.035 174.942 174.900 0.011 0.000 0.980 116 G CA 0.069 45.174 45.100 0.009 0.000 0.632 116 G HN 0.352 nan 8.290 nan 0.000 0.533 117 Q N 0.521 120.328 119.800 0.012 0.000 2.421 117 Q HA 0.601 4.941 4.340 -0.000 0.000 0.255 117 Q C 0.787 176.799 176.000 0.020 0.000 1.013 117 Q CA 0.272 56.083 55.803 0.014 0.000 0.895 117 Q CB 0.814 29.559 28.738 0.012 0.000 1.271 117 Q HN 0.865 nan 8.270 nan 0.000 0.460 118 A N 3.557 126.392 122.820 0.025 0.000 2.488 118 A HA 0.275 4.595 4.320 -0.000 0.000 0.249 118 A C -2.070 175.536 177.584 0.037 0.000 1.083 118 A CA -1.128 50.930 52.037 0.035 0.000 0.768 118 A CB -0.397 18.630 19.000 0.045 0.000 1.017 118 A HN 0.468 nan 8.150 nan 0.000 0.496 119 P HA 0.394 nan 4.420 nan 0.000 0.271 119 P C -0.736 176.597 177.300 0.055 0.000 1.216 119 P CA 0.021 63.147 63.100 0.042 0.000 0.771 119 P CB 0.635 32.358 31.700 0.040 0.000 0.864 120 R N 1.069 121.604 120.500 0.059 0.000 2.687 120 R HA 0.368 4.708 4.340 -0.000 0.000 0.265 120 R C -1.303 175.058 176.300 0.101 0.000 1.048 120 R CA -1.071 55.080 56.100 0.084 0.000 0.884 120 R CB 0.119 30.461 30.300 0.070 0.000 1.258 120 R HN 0.209 nan 8.270 nan 0.000 0.469 121 Y N 2.982 123.290 120.300 0.014 0.000 2.526 121 Y HA 0.041 4.591 4.550 -0.000 0.000 0.330 121 Y C 0.671 176.581 175.900 0.017 0.000 1.156 121 Y CA 0.162 58.266 58.100 0.007 0.000 1.419 121 Y CB 0.893 39.357 38.460 0.006 0.000 1.250 121 Y HN 0.875 nan 8.280 nan 0.000 0.540 122 D N 2.705 122.712 120.400 -0.654 0.000 2.328 122 D HA -0.074 4.566 4.640 -0.000 0.000 0.226 122 D C -0.142 175.849 176.300 -0.515 0.000 1.066 122 D CA 0.416 54.151 54.000 -0.442 0.000 0.861 122 D CB -0.432 40.205 40.800 -0.271 0.000 0.912 122 D HN 0.645 nan 8.370 nan 0.000 0.521 123 N N 0.552 118.695 118.700 -0.928 0.000 2.741 123 N HA -0.244 4.496 4.740 -0.000 0.000 0.250 123 N C 0.976 176.353 175.510 -0.222 0.000 1.115 123 N CA 1.070 53.897 53.050 -0.371 0.000 0.724 123 N CB -1.535 36.891 38.487 -0.101 0.000 1.090 123 N HN 0.700 nan 8.380 nan 0.000 0.558 124 R N -0.547 119.771 120.500 -0.303 0.000 2.152 124 R HA -0.030 4.309 4.340 -0.000 0.000 0.232 124 R C 0.855 177.272 176.300 0.195 0.000 1.117 124 R CA 1.359 57.427 56.100 -0.054 0.000 0.981 124 R CB -0.392 29.858 30.300 -0.084 0.000 0.870 124 R HN 0.563 nan 8.270 nan 0.000 0.451 125 H N -0.211 118.924 119.070 0.109 0.000 2.505 125 H HA 0.285 4.840 4.556 -0.000 0.000 0.289 125 H C 1.245 176.405 175.328 -0.280 0.000 1.052 125 H CA -0.584 55.550 56.048 0.144 0.000 1.156 125 H CB 0.487 30.496 29.762 0.412 0.000 1.507 125 H HN 0.193 nan 8.280 nan 0.000 0.548 126 R N 0.318 120.467 120.500 -0.585 0.000 2.083 126 R HA -0.103 4.236 4.340 -0.000 0.000 0.237 126 R C 0.040 175.739 176.300 -1.002 0.000 1.137 126 R CA 1.301 56.640 56.100 -1.268 0.000 0.951 126 R CB 0.039 29.663 30.300 -1.126 0.000 0.851 126 R HN 0.453 nan 8.270 nan 0.000 0.434 127 H N -0.541 118.440 119.070 -0.149 0.000 2.340 127 H HA 0.291 4.847 4.556 -0.000 0.000 0.233 127 H C -0.966 174.364 175.328 0.002 0.000 1.435 127 H CA -0.399 55.615 56.048 -0.056 0.000 1.389 127 H CB 0.479 30.212 29.762 -0.049 0.000 1.491 127 H HN -0.038 nan 8.280 nan 0.000 0.518 128 L N 2.099 123.373 121.223 0.086 0.000 2.326 128 L HA 0.252 4.592 4.340 -0.000 0.000 0.278 128 L C 0.807 177.727 176.870 0.085 0.000 1.092 128 L CA -0.699 54.195 54.840 0.090 0.000 0.810 128 L CB 1.151 43.284 42.059 0.123 0.000 1.153 128 L HN 0.559 nan 8.230 nan 0.000 0.439 129 T N -0.439 114.140 114.554 0.041 0.000 2.860 129 T HA 0.157 4.507 4.350 -0.000 0.000 0.299 129 T C -1.878 172.835 174.700 0.021 0.000 1.045 129 T CA -1.510 60.606 62.100 0.026 0.000 1.071 129 T CB 0.988 69.852 68.868 -0.006 0.000 0.985 129 T HN 0.367 nan 8.240 nan 0.000 0.537 130 P HA -0.050 nan 4.420 nan 0.000 0.219 130 P C 1.162 178.450 177.300 -0.020 0.000 1.146 130 P CA 0.918 64.033 63.100 0.025 0.000 0.808 130 P CB 0.068 31.786 31.700 0.030 0.000 0.779 131 E N -0.369 119.804 120.200 -0.045 0.000 2.106 131 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 131 E C 1.939 178.446 176.600 -0.156 0.000 0.984 131 E CA 0.991 57.340 56.400 -0.084 0.000 0.806 131 E CB -0.487 29.167 29.700 -0.076 0.000 0.750 131 E HN 0.376 nan 8.360 nan 0.000 0.458 132 E N 0.493 120.587 120.200 -0.176 0.000 2.077 132 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 132 E C 2.131 178.492 176.600 -0.398 0.000 0.989 132 E CA 1.130 57.331 56.400 -0.331 0.000 0.800 132 E CB -0.020 29.535 29.700 -0.242 0.000 0.746 132 E HN 0.299 nan 8.360 nan 0.000 0.452 133 Q N 0.293 119.974 119.800 -0.197 0.000 2.002 133 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 133 Q C 2.335 178.192 176.000 -0.238 0.000 0.988 133 Q CA 1.499 57.162 55.803 -0.233 0.000 0.843 133 Q CB -0.294 28.468 28.738 0.040 0.000 0.908 133 Q HN 0.256 nan 8.270 nan 0.000 0.420 134 A N 1.194 123.935 122.820 -0.131 0.000 1.948 134 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 134 A C 2.298 179.806 177.584 -0.126 0.000 1.177 134 A CA 1.846 53.826 52.037 -0.096 0.000 0.636 134 A CB -0.924 18.037 19.000 -0.066 0.000 0.815 134 A HN 0.436 nan 8.150 nan 0.000 0.449 135 A N -0.950 121.743 122.820 -0.211 0.000 1.858 135 A HA 0.041 4.361 4.320 -0.000 0.000 0.216 135 A C 1.920 179.383 177.584 -0.202 0.000 1.190 135 A CA 1.595 53.488 52.037 -0.241 0.000 0.617 135 A CB -0.782 18.005 19.000 -0.355 0.000 0.827 135 A HN 0.430 nan 8.150 nan 0.000 0.443 136 F N 0.762 120.551 119.950 -0.269 0.000 2.069 136 F HA -0.174 4.352 4.527 -0.000 0.000 0.298 136 F C 2.571 178.280 175.800 -0.153 0.000 1.113 136 F CA 1.598 59.428 58.000 -0.284 0.000 1.214 136 F CB -0.742 37.836 39.000 -0.704 0.000 0.978 136 F HN 0.256 nan 8.300 nan 0.000 0.474 137 E N 0.112 120.328 120.200 0.027 0.000 2.130 137 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 137 E C 2.398 179.027 176.600 0.048 0.000 0.998 137 E CA 1.311 57.756 56.400 0.075 0.000 0.806 137 E CB -0.735 28.992 29.700 0.045 0.000 0.738 137 E HN 0.388 nan 8.360 nan 0.000 0.459 138 A N 1.273 124.101 122.820 0.013 0.000 2.015 138 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 138 A C 2.106 179.705 177.584 0.024 0.000 1.163 138 A CA 1.384 53.425 52.037 0.007 0.000 0.646 138 A CB -0.169 18.818 19.000 -0.021 0.000 0.806 138 A HN 0.198 nan 8.150 nan 0.000 0.448 139 A N -1.211 121.638 122.820 0.048 0.000 2.579 139 A HA 0.455 4.775 4.320 -0.000 0.000 0.273 139 A C 1.600 179.232 177.584 0.080 0.000 1.363 139 A CA 0.826 52.903 52.037 0.066 0.000 0.953 139 A CB -1.397 17.657 19.000 0.091 0.000 1.034 139 A HN 1.763 nan 8.150 nan 0.000 0.536 140 G N -0.104 108.738 108.800 0.069 0.000 2.205 140 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.269 140 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.269 140 G C 0.471 175.425 174.900 0.089 0.000 0.977 140 G CA 0.528 45.667 45.100 0.067 0.000 0.652 140 G HN 0.672 nan 8.290 nan 0.000 0.539 141 R N 0.997 121.579 120.500 0.136 0.000 2.537 141 R HA 0.403 4.742 4.340 -0.000 0.000 0.280 141 R C 0.306 176.724 176.300 0.196 0.000 1.058 141 R CA 1.066 57.275 56.100 0.180 0.000 1.057 141 R CB 0.335 30.798 30.300 0.271 0.000 0.973 141 R HN 0.419 nan 8.270 nan 0.000 0.438 142 T N 0.989 115.608 114.554 0.108 0.000 2.840 142 T HA 0.396 4.746 4.350 -0.000 0.000 0.287 142 T C -2.403 172.237 174.700 -0.099 0.000 0.991 142 T CA -2.175 59.942 62.100 0.028 0.000 0.964 142 T CB 2.014 70.886 68.868 0.007 0.000 0.954 142 T HN 0.344 nan 8.240 nan 0.000 0.438 143 P HA 0.336 nan 4.420 nan 0.000 0.278 143 P C 0.398 177.576 177.300 -0.202 0.000 1.238 143 P CA -0.517 62.277 63.100 -0.510 0.000 0.794 143 P CB 1.088 32.257 31.700 -0.884 0.000 0.955 144 V N 0.824 120.622 119.914 -0.193 0.000 3.403 144 V HA 0.509 4.628 4.120 -0.000 0.000 0.305 144 V C 0.253 176.271 176.094 -0.127 0.000 1.060 144 V CA -0.754 61.468 62.300 -0.131 0.000 1.053 144 V CB 0.323 32.048 31.823 -0.163 0.000 1.198 144 V HN 0.312 nan 8.190 nan 0.000 0.447 145 I N 1.239 121.716 120.570 -0.156 0.000 2.418 145 I HA 0.562 4.732 4.170 -0.000 0.000 0.287 145 I C 0.103 176.032 176.117 -0.314 0.000 1.008 145 I CA -0.449 60.705 61.300 -0.243 0.000 1.104 145 I CB 1.597 39.478 38.000 -0.199 0.000 1.264 145 I HN 0.643 nan 8.210 nan 0.000 0.438 146 R N 4.712 124.886 120.500 -0.543 0.000 2.604 146 R HA 0.514 4.854 4.340 -0.000 0.000 0.287 146 R C -1.147 174.921 176.300 -0.386 0.000 0.970 146 R CA -0.791 54.992 56.100 -0.530 0.000 0.946 146 R CB 2.321 32.175 30.300 -0.742 0.000 1.127 146 R HN 0.406 nan 8.270 nan 0.000 0.473 147 F N 2.035 121.831 119.950 -0.257 0.000 2.420 147 F HA 0.342 4.868 4.527 -0.000 0.000 0.342 147 F C -0.219 175.587 175.800 0.010 0.000 1.113 147 F CA -0.820 57.112 58.000 -0.112 0.000 1.059 147 F CB 0.996 39.936 39.000 -0.099 0.000 1.128 147 F HN 0.221 nan 8.300 nan 0.000 0.475 148 K N 6.689 126.741 120.400 -0.580 0.000 2.368 148 K HA 0.440 4.759 4.320 -0.000 0.000 0.282 148 K C -0.934 175.330 176.600 -0.560 0.000 1.035 148 K CA 0.168 56.246 56.287 -0.348 0.000 0.973 148 K CB 0.716 33.105 32.500 -0.185 0.000 0.957 148 K HN 0.620 nan 8.250 nan 0.000 0.474 149 I N 2.472 122.927 120.570 -0.191 0.000 2.478 149 I HA 0.076 4.246 4.170 -0.000 0.000 0.287 149 I C -0.435 175.669 176.117 -0.021 0.000 1.042 149 I CA -0.972 60.273 61.300 -0.091 0.000 1.067 149 I CB 1.969 39.988 38.000 0.032 0.000 1.233 149 I HN 0.512 nan 8.210 nan 0.000 0.431 150 E N 5.231 125.425 120.200 -0.010 0.000 2.265 150 E HA 0.015 4.364 4.350 -0.000 0.000 0.272 150 E C 0.505 177.130 176.600 0.041 0.000 1.067 150 E CA 0.234 56.643 56.400 0.015 0.000 0.900 150 E CB 0.534 30.245 29.700 0.018 0.000 1.017 150 E HN 0.396 nan 8.360 nan 0.000 0.431 151 D N 3.613 124.036 120.400 0.038 0.000 2.149 151 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 151 D C 0.238 176.570 176.300 0.053 0.000 1.001 151 D CA 1.393 55.422 54.000 0.048 0.000 0.849 151 D CB 0.148 40.969 40.800 0.035 0.000 0.939 151 D HN 0.576 nan 8.370 nan 0.000 0.449 152 D N 0.103 120.529 120.400 0.044 0.000 2.319 152 D HA -0.015 4.625 4.640 -0.000 0.000 0.230 152 D C 0.640 176.970 176.300 0.051 0.000 1.094 152 D CA -0.047 53.978 54.000 0.042 0.000 0.856 152 D CB 0.207 41.025 40.800 0.030 0.000 0.915 152 D HN 0.044 nan 8.370 nan 0.000 0.517 153 R N 1.644 122.183 120.500 0.065 0.000 2.308 153 R HA 0.131 4.471 4.340 -0.000 0.000 0.305 153 R C -0.296 176.064 176.300 0.100 0.000 1.053 153 R CA -0.242 55.905 56.100 0.078 0.000 0.957 153 R CB 0.566 30.915 30.300 0.082 0.000 1.022 153 R HN -0.141 nan 8.270 nan 0.000 0.461 154 Q N 4.486 124.343 119.800 0.095 0.000 2.340 154 Q HA 0.322 4.661 4.340 -0.000 0.000 0.259 154 Q C -1.041 175.044 176.000 0.141 0.000 0.964 154 Q CA -0.665 55.203 55.803 0.107 0.000 0.900 154 Q CB 0.808 29.588 28.738 0.069 0.000 1.228 154 Q HN 0.635 nan 8.270 nan 0.000 0.449 155 I N 4.913 125.604 120.570 0.202 0.000 2.330 155 I HA 0.211 4.381 4.170 -0.000 0.000 0.289 155 I C -0.196 176.111 176.117 0.317 0.000 1.001 155 I CA -0.154 61.302 61.300 0.259 0.000 1.193 155 I CB 1.339 39.513 38.000 0.290 0.000 1.345 155 I HN 0.543 nan 8.210 nan 0.000 0.461 156 E N 6.189 126.560 120.200 0.284 0.000 2.336 156 E HA 0.749 5.099 4.350 -0.000 0.000 0.267 156 E C -1.654 175.196 176.600 0.418 0.000 0.906 156 E CA -0.994 55.552 56.400 0.242 0.000 0.781 156 E CB 2.274 32.016 29.700 0.071 0.000 1.261 156 E HN 0.546 nan 8.360 nan 0.000 0.436 157 W N 0.472 121.816 121.300 0.074 0.000 3.213 157 W HA 0.386 5.046 4.660 -0.001 0.000 0.318 157 W C -1.415 175.151 176.519 0.079 0.000 1.248 157 W CA -1.062 56.337 57.345 0.090 0.000 1.187 157 W CB 1.137 30.681 29.460 0.140 0.000 1.403 157 W HN 0.412 nan 8.180 nan 0.000 0.556 158 Q N 2.756 122.686 119.800 0.216 0.000 2.490 158 Q HA 0.208 4.548 4.340 -0.000 0.000 0.226 158 Q C -0.702 175.422 176.000 0.208 0.000 1.132 158 Q CA 0.090 55.947 55.803 0.090 0.000 0.928 158 Q CB 0.185 28.975 28.738 0.086 0.000 1.299 158 Q HN 0.468 nan 8.270 nan 0.000 0.528 159 D N 1.738 122.223 120.400 0.141 0.000 2.399 159 D HA -0.005 4.635 4.640 -0.000 0.000 0.241 159 D C 0.693 177.058 176.300 0.108 0.000 1.133 159 D CA 0.131 54.308 54.000 0.296 0.000 0.890 159 D CB 0.847 41.803 40.800 0.260 0.000 1.201 159 D HN 0.621 nan 8.370 nan 0.000 0.432 160 L N 2.588 123.824 121.223 0.021 0.000 2.156 160 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 160 L C 1.690 178.526 176.870 -0.058 0.000 1.095 160 L CA 0.349 55.115 54.840 -0.122 0.000 0.770 160 L CB -0.112 41.653 42.059 -0.490 0.000 0.914 160 L HN 0.413 nan 8.230 nan 0.000 0.439 161 V N -1.114 118.786 119.914 -0.022 0.000 2.484 161 V HA -0.011 4.109 4.120 -0.000 0.000 0.236 161 V C 2.290 178.405 176.094 0.036 0.000 1.062 161 V CA 0.756 63.078 62.300 0.036 0.000 1.081 161 V CB -0.326 31.539 31.823 0.070 0.000 0.751 161 V HN 0.259 nan 8.190 nan 0.000 0.484 162 R N 0.348 120.880 120.500 0.053 0.000 2.235 162 R HA 0.202 4.542 4.340 -0.000 0.000 0.213 162 R C 1.197 177.472 176.300 -0.042 0.000 1.059 162 R CA 0.779 56.885 56.100 0.010 0.000 0.997 162 R CB -0.278 30.028 30.300 0.009 0.000 0.884 162 R HN 0.623 nan 8.270 nan 0.000 0.462 163 G N 1.446 110.225 108.800 -0.035 0.000 2.645 163 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.239 163 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.239 163 G C -0.581 174.236 174.900 -0.138 0.000 1.331 163 G CA -0.171 44.892 45.100 -0.061 0.000 0.890 163 G HN 0.412 nan 8.290 nan 0.000 0.572 164 R N -0.724 119.692 120.500 -0.141 0.000 2.504 164 R HA 0.319 4.658 4.340 -0.000 0.000 0.291 164 R C -0.222 175.873 176.300 -0.341 0.000 0.974 164 R CA 0.481 56.455 56.100 -0.210 0.000 1.077 164 R CB -0.121 30.100 30.300 -0.133 0.000 0.926 164 R HN 0.632 nan 8.270 nan 0.000 0.407 165 V N 3.374 122.936 119.914 -0.587 0.000 2.638 165 V HA 0.325 4.444 4.120 -0.000 0.000 0.306 165 V C -0.451 175.285 176.094 -0.597 0.000 1.052 165 V CA -0.637 61.223 62.300 -0.733 0.000 0.885 165 V CB 1.882 32.918 31.823 -1.312 0.000 0.999 165 V HN 0.824 nan 8.190 nan 0.000 0.424 166 S N 3.210 118.715 115.700 -0.324 0.000 2.536 166 S HA 0.852 5.322 4.470 -0.000 0.000 0.298 166 S C -1.876 172.697 174.600 -0.046 0.000 1.083 166 S CA -0.359 57.772 58.200 -0.115 0.000 0.995 166 S CB 1.337 64.475 63.200 -0.104 0.000 1.058 166 S HN 0.583 nan 8.310 nan 0.000 0.488 167 W N 1.284 122.588 121.300 0.007 0.000 3.031 167 W HA 0.506 5.166 4.660 -0.001 0.000 0.337 167 W C -0.841 175.708 176.519 0.051 0.000 1.187 167 W CA -0.529 56.843 57.345 0.044 0.000 1.166 167 W CB 1.564 31.094 29.460 0.117 0.000 1.437 167 W HN 0.423 nan 8.180 nan 0.000 0.551 168 Q N 0.680 120.644 119.800 0.273 0.000 2.245 168 Q HA 0.305 4.645 4.340 -0.000 0.000 0.256 168 Q C 1.099 177.244 176.000 0.241 0.000 0.942 168 Q CA 0.023 55.941 55.803 0.192 0.000 0.896 168 Q CB 1.500 30.295 28.738 0.096 0.000 1.272 168 Q HN 0.821 nan 8.270 nan 0.000 0.442 169 G N 1.979 110.883 108.800 0.173 0.000 2.505 169 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.220 169 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.220 169 G C 1.147 176.129 174.900 0.137 0.000 1.145 169 G CA 1.171 46.359 45.100 0.147 0.000 0.761 169 G HN 0.671 nan 8.290 nan 0.000 0.571 170 A N 0.404 123.295 122.820 0.118 0.000 2.125 170 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 170 A C 1.805 179.466 177.584 0.129 0.000 1.156 170 A CA 1.820 53.917 52.037 0.100 0.000 0.671 170 A CB -0.162 18.880 19.000 0.071 0.000 0.794 170 A HN 0.287 nan 8.150 nan 0.000 0.459 171 D N -0.530 119.986 120.400 0.193 0.000 2.340 171 D HA 0.119 4.758 4.640 -0.000 0.000 0.220 171 D C 1.322 177.808 176.300 0.310 0.000 1.039 171 D CA 0.262 54.425 54.000 0.272 0.000 0.866 171 D CB 0.173 41.170 40.800 0.330 0.000 0.913 171 D HN 0.458 nan 8.370 nan 0.000 0.523 172 L N -0.798 120.540 121.223 0.191 0.000 2.567 172 L HA 0.214 4.554 4.340 -0.000 0.000 0.225 172 L C 1.480 178.391 176.870 0.068 0.000 1.119 172 L CA 0.453 55.341 54.840 0.079 0.000 0.871 172 L CB 0.239 42.327 42.059 0.048 0.000 1.036 172 L HN 0.123 nan 8.230 nan 0.000 0.459 173 G N -0.595 108.264 108.800 0.098 0.000 2.192 173 G HA2 -0.017 3.942 3.960 -0.000 0.000 0.193 173 G HA3 -0.017 3.942 3.960 -0.000 0.000 0.193 173 G C 0.592 175.570 174.900 0.129 0.000 0.999 173 G CA -0.210 44.947 45.100 0.096 0.000 0.659 173 G HN 0.742 nan 8.290 nan 0.000 0.503 174 G N -0.454 108.424 108.800 0.129 0.000 2.760 174 G HA2 0.170 4.130 3.960 -0.000 0.000 0.246 174 G HA3 0.170 4.130 3.960 -0.000 0.000 0.246 174 G C -0.479 174.550 174.900 0.215 0.000 1.359 174 G CA 0.061 45.263 45.100 0.169 0.000 0.861 174 G HN 0.858 nan 8.290 nan 0.000 0.541 175 D N 0.500 121.085 120.400 0.308 0.000 2.493 175 D HA 0.276 4.916 4.640 -0.000 0.000 0.240 175 D C 0.995 177.360 176.300 0.108 0.000 1.142 175 D CA 0.593 54.729 54.000 0.226 0.000 0.872 175 D CB 0.752 41.753 40.800 0.334 0.000 1.173 175 D HN 0.631 nan 8.370 nan 0.000 0.467 176 M N 2.814 122.462 119.600 0.081 0.000 2.144 176 M HA 0.193 4.673 4.480 -0.000 0.000 0.356 176 M C -0.877 175.389 176.300 -0.057 0.000 1.217 176 M CA -0.745 54.567 55.300 0.021 0.000 1.087 176 M CB 0.993 33.638 32.600 0.073 0.000 1.609 176 M HN -0.027 nan 8.290 nan 0.000 0.467 177 V N 7.239 127.073 119.914 -0.132 0.000 2.599 177 V HA -0.045 4.074 4.120 -0.000 0.000 0.300 177 V C 1.084 177.108 176.094 -0.117 0.000 1.034 177 V CA 0.651 62.854 62.300 -0.162 0.000 1.115 177 V CB 0.298 32.020 31.823 -0.168 0.000 0.934 177 V HN 0.967 nan 8.190 nan 0.000 0.485 178 I N 1.784 122.278 120.570 -0.126 0.000 4.403 178 I HA 0.734 4.903 4.170 -0.000 0.000 0.331 178 I C 0.570 176.617 176.117 -0.116 0.000 1.327 178 I CA 0.066 61.289 61.300 -0.128 0.000 1.175 178 I CB 0.596 38.509 38.000 -0.144 0.000 1.165 178 I HN 0.525 nan 8.210 nan 0.000 0.413 179 A N 1.559 124.320 122.820 -0.098 0.000 2.547 179 A HA 0.726 5.045 4.320 -0.000 0.000 0.297 179 A C -0.384 177.175 177.584 -0.041 0.000 1.056 179 A CA -0.822 51.179 52.037 -0.060 0.000 0.688 179 A CB 1.503 20.473 19.000 -0.051 0.000 1.282 179 A HN 0.100 nan 8.150 nan 0.000 0.400 180 R N 0.871 121.376 120.500 0.008 0.000 2.747 180 R HA 0.562 4.902 4.340 -0.000 0.000 0.278 180 R C 0.772 177.069 176.300 -0.005 0.000 1.153 180 R CA 0.164 56.267 56.100 0.004 0.000 1.206 180 R CB 0.114 30.441 30.300 0.045 0.000 1.161 180 R HN 1.014 nan 8.270 nan 0.000 0.589 181 A N 0.091 122.899 122.820 -0.020 0.000 2.531 181 A HA 0.420 4.740 4.320 -0.000 0.000 0.236 181 A C -0.036 177.547 177.584 -0.001 0.000 1.062 181 A CA 0.758 52.779 52.037 -0.027 0.000 0.760 181 A CB -0.101 18.879 19.000 -0.032 0.000 0.995 181 A HN 0.795 nan 8.150 nan 0.000 0.501 182 A N 3.121 125.935 122.820 -0.010 0.000 2.583 182 A HA 0.733 5.053 4.320 -0.000 0.000 0.292 182 A C -3.265 174.302 177.584 -0.028 0.000 1.045 182 A CA -1.192 50.847 52.037 0.004 0.000 0.672 182 A CB 0.681 19.702 19.000 0.035 0.000 1.283 182 A HN 0.576 nan 8.150 nan 0.000 0.419 183 P HA 0.345 nan 4.420 nan 0.000 0.272 183 P C -0.303 176.921 177.300 -0.128 0.000 1.230 183 P CA -0.403 62.665 63.100 -0.053 0.000 0.788 183 P CB 0.418 32.107 31.700 -0.020 0.000 0.949 184 R N 1.021 121.380 120.500 -0.234 0.000 2.537 184 R HA 0.234 4.574 4.340 -0.000 0.000 0.281 184 R C 1.330 177.536 176.300 -0.156 0.000 0.988 184 R CA 1.775 57.600 56.100 -0.458 0.000 1.077 184 R CB -0.869 29.203 30.300 -0.380 0.000 0.932 184 R HN 0.868 nan 8.270 nan 0.000 0.409 185 G N 2.475 111.264 108.800 -0.017 0.000 2.213 185 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.236 185 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.236 185 G C -0.201 174.758 174.900 0.097 0.000 0.991 185 G CA 0.204 45.362 45.100 0.096 0.000 0.629 185 G HN 0.597 nan 8.290 nan 0.000 0.517 186 E N -0.556 119.692 120.200 0.080 0.000 2.263 186 E HA 0.725 5.075 4.350 -0.000 0.000 0.264 186 E C -0.654 176.015 176.600 0.114 0.000 0.923 186 E CA -0.950 55.495 56.400 0.075 0.000 0.802 186 E CB 2.068 31.792 29.700 0.041 0.000 1.228 186 E HN 0.233 nan 8.360 nan 0.000 0.417 187 I N 1.583 122.202 120.570 0.081 0.000 2.362 187 I HA 0.302 4.471 4.170 -0.000 0.000 0.289 187 I C 0.668 176.817 176.117 0.053 0.000 0.994 187 I CA -0.317 61.025 61.300 0.070 0.000 1.158 187 I CB 1.666 39.689 38.000 0.038 0.000 1.315 187 I HN 0.547 nan 8.210 nan 0.000 0.451 188 G N 4.085 112.917 108.800 0.054 0.000 2.553 188 G HA2 0.074 4.033 3.960 -0.000 0.000 0.278 188 G HA3 0.074 4.033 3.960 -0.000 0.000 0.278 188 G C -0.876 174.070 174.900 0.076 0.000 1.349 188 G CA -0.249 44.894 45.100 0.072 0.000 1.037 188 G HN 0.452 nan 8.290 nan 0.000 0.508 189 Y N 2.244 122.539 120.300 -0.009 0.000 2.650 189 Y HA 0.213 4.763 4.550 -0.000 0.000 0.331 189 Y C -1.347 174.534 175.900 -0.032 0.000 1.165 189 Y CA -1.431 56.663 58.100 -0.010 0.000 1.473 189 Y CB 0.654 39.106 38.460 -0.014 0.000 1.224 189 Y HN 0.188 nan 8.280 nan 0.000 0.533 190 P HA 0.040 nan 4.420 nan 0.000 0.271 190 P C -0.886 176.302 177.300 -0.187 0.000 1.216 190 P CA -0.056 62.889 63.100 -0.259 0.000 0.776 190 P CB 1.280 32.778 31.700 -0.337 0.000 0.881 191 L N 2.754 123.897 121.223 -0.133 0.000 2.469 191 L HA 0.222 4.562 4.340 -0.000 0.000 0.253 191 L C 2.161 178.962 176.870 -0.116 0.000 1.143 191 L CA -0.341 54.456 54.840 -0.072 0.000 0.804 191 L CB -0.530 41.499 42.059 -0.050 0.000 1.214 191 L HN 0.341 nan 8.230 nan 0.000 0.476 192 Y N 0.598 120.794 120.300 -0.172 0.000 2.081 192 Y HA -0.325 4.225 4.550 -0.000 0.000 0.280 192 Y C 2.161 177.925 175.900 -0.226 0.000 1.163 192 Y CA 2.143 60.127 58.100 -0.193 0.000 1.135 192 Y CB -0.094 38.272 38.460 -0.156 0.000 0.970 192 Y HN 0.638 nan 8.280 nan 0.000 0.498 193 N N 0.372 118.948 118.700 -0.208 0.000 2.188 193 N HA -0.171 4.569 4.740 -0.000 0.000 0.184 193 N C 1.999 177.264 175.510 -0.408 0.000 1.018 193 N CA 1.210 54.061 53.050 -0.332 0.000 0.858 193 N CB -0.482 37.903 38.487 -0.170 0.000 0.989 193 N HN 0.399 nan 8.380 nan 0.000 0.426 194 L N 1.282 122.292 121.223 -0.355 0.000 1.988 194 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 194 L C 2.118 178.757 176.870 -0.385 0.000 1.071 194 L CA 1.346 55.970 54.840 -0.359 0.000 0.744 194 L CB -1.013 40.872 42.059 -0.289 0.000 0.893 194 L HN -0.107 nan 8.230 nan 0.000 0.433 195 V N -0.127 119.493 119.914 -0.490 0.000 2.278 195 V HA -0.305 3.815 4.120 -0.000 0.000 0.251 195 V C 2.824 178.619 176.094 -0.499 0.000 1.062 195 V CA 1.910 63.775 62.300 -0.725 0.000 1.038 195 V CB -0.576 30.703 31.823 -0.905 0.000 0.646 195 V HN 0.466 nan 8.190 nan 0.000 0.447 196 V N -0.729 118.861 119.914 -0.541 0.000 2.515 196 V HA -0.172 3.948 4.120 -0.000 0.000 0.250 196 V C 2.229 178.117 176.094 -0.344 0.000 1.058 196 V CA 2.258 64.284 62.300 -0.457 0.000 1.064 196 V CB 0.230 31.666 31.823 -0.646 0.000 0.675 196 V HN 0.385 nan 8.190 nan 0.000 0.461 197 V N -0.353 119.307 119.914 -0.423 0.000 2.323 197 V HA -0.146 3.974 4.120 -0.000 0.000 0.244 197 V C 2.505 178.376 176.094 -0.372 0.000 1.041 197 V CA 1.893 63.860 62.300 -0.555 0.000 1.025 197 V CB -0.357 31.010 31.823 -0.759 0.000 0.656 197 V HN 0.429 nan 8.190 nan 0.000 0.451 198 V N 0.372 120.143 119.914 -0.240 0.000 2.324 198 V HA -0.300 3.820 4.120 -0.000 0.000 0.250 198 V C 2.260 178.317 176.094 -0.061 0.000 1.060 198 V CA 2.340 64.580 62.300 -0.100 0.000 1.042 198 V CB -0.673 31.186 31.823 0.060 0.000 0.650 198 V HN 0.556 nan 8.190 nan 0.000 0.450 199 D N -0.524 119.854 120.400 -0.036 0.000 2.162 199 D HA -0.099 4.540 4.640 -0.000 0.000 0.203 199 D C 1.930 178.188 176.300 -0.070 0.000 0.967 199 D CA 0.962 54.938 54.000 -0.041 0.000 0.840 199 D CB -0.236 40.562 40.800 -0.004 0.000 0.972 199 D HN 0.409 nan 8.370 nan 0.000 0.482 200 D N 0.428 120.792 120.400 -0.061 0.000 2.144 200 D HA -0.070 4.570 4.640 -0.000 0.000 0.200 200 D C 2.284 178.613 176.300 0.048 0.000 0.978 200 D CA 0.346 54.352 54.000 0.009 0.000 0.833 200 D CB -0.101 40.753 40.800 0.090 0.000 0.961 200 D HN 0.274 nan 8.370 nan 0.000 0.470 201 I N 1.154 121.753 120.570 0.049 0.000 2.142 201 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 201 I C 2.459 178.570 176.117 -0.010 0.000 1.078 201 I CA 1.228 62.562 61.300 0.057 0.000 1.343 201 I CB -0.189 37.825 38.000 0.023 0.000 1.046 201 I HN -0.072 nan 8.210 nan 0.000 0.405 202 A N 0.185 122.972 122.820 -0.055 0.000 1.969 202 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 202 A C 2.232 179.750 177.584 -0.110 0.000 1.169 202 A CA 1.408 53.391 52.037 -0.089 0.000 0.635 202 A CB -0.491 18.434 19.000 -0.125 0.000 0.810 202 A HN 0.396 nan 8.150 nan 0.000 0.445 203 M N -1.107 118.422 119.600 -0.118 0.000 2.561 203 M HA 0.177 4.657 4.480 -0.000 0.000 0.238 203 M C 1.156 177.424 176.300 -0.054 0.000 1.131 203 M CA 0.687 55.908 55.300 -0.131 0.000 1.046 203 M CB 0.225 32.725 32.600 -0.166 0.000 1.532 203 M HN 0.566 nan 8.290 nan 0.000 0.497 204 G N 2.151 110.931 108.800 -0.034 0.000 2.272 204 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.280 204 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.280 204 G C -0.146 174.747 174.900 -0.011 0.000 1.067 204 G CA -0.439 44.651 45.100 -0.016 0.000 0.902 204 G HN 0.357 nan 8.290 nan 0.000 0.500 205 I N 1.156 121.719 120.570 -0.010 0.000 2.556 205 I HA 0.202 4.371 4.170 -0.000 0.000 0.284 205 I C 1.796 177.873 176.117 -0.065 0.000 1.114 205 I CA 1.009 62.299 61.300 -0.016 0.000 1.418 205 I CB 0.583 38.577 38.000 -0.010 0.000 1.394 205 I HN 0.389 nan 8.210 nan 0.000 0.552 206 T N 0.727 115.251 114.554 -0.051 0.000 3.000 206 T HA 0.207 4.556 4.350 -0.000 0.000 0.248 206 T C 0.155 174.788 174.700 -0.112 0.000 1.034 206 T CA -0.077 61.979 62.100 -0.074 0.000 1.060 206 T CB 0.098 68.959 68.868 -0.011 0.000 0.983 206 T HN 0.529 nan 8.240 nan 0.000 0.482 207 D N 0.534 120.890 120.400 -0.073 0.000 2.855 207 D HA 0.549 5.189 4.640 -0.000 0.000 0.241 207 D C -1.613 174.609 176.300 -0.130 0.000 1.277 207 D CA -0.525 53.401 54.000 -0.122 0.000 0.918 207 D CB 2.573 43.398 40.800 0.043 0.000 1.462 207 D HN 0.019 nan 8.370 nan 0.000 0.559 208 V N 3.429 123.176 119.914 -0.278 0.000 2.370 208 V HA 0.358 4.478 4.120 -0.000 0.000 0.279 208 V C -0.469 175.550 176.094 -0.125 0.000 1.029 208 V CA -0.599 61.602 62.300 -0.165 0.000 0.870 208 V CB 0.924 32.635 31.823 -0.187 0.000 0.984 208 V HN 0.472 nan 8.190 nan 0.000 0.451 209 I N 6.889 127.448 120.570 -0.020 0.000 2.330 209 I HA 0.615 4.785 4.170 -0.000 0.000 0.289 209 I C 0.167 176.320 176.117 0.059 0.000 1.001 209 I CA -0.465 60.843 61.300 0.013 0.000 1.193 209 I CB 1.177 39.286 38.000 0.182 0.000 1.345 209 I HN 0.769 nan 8.210 nan 0.000 0.461 210 R N 3.275 123.772 120.500 -0.005 0.000 2.739 210 R HA 0.785 5.124 4.340 -0.000 0.000 0.271 210 R C -0.219 176.137 176.300 0.093 0.000 1.010 210 R CA -1.018 55.129 56.100 0.077 0.000 0.897 210 R CB 1.093 31.460 30.300 0.113 0.000 1.236 210 R HN 0.547 nan 8.270 nan 0.000 0.466 211 G N 0.598 109.469 108.800 0.119 0.000 2.432 211 G HA2 0.014 3.974 3.960 -0.000 0.000 0.239 211 G HA3 0.014 3.974 3.960 -0.000 0.000 0.239 211 G C 0.617 175.569 174.900 0.086 0.000 1.291 211 G CA -0.210 44.920 45.100 0.050 0.000 0.863 211 G HN 0.873 nan 8.290 nan 0.000 0.560 212 E N 1.029 121.312 120.200 0.139 0.000 2.463 212 E HA -0.173 4.176 4.350 -0.000 0.000 0.201 212 E C 0.976 177.630 176.600 0.089 0.000 1.045 212 E CA 1.219 57.731 56.400 0.188 0.000 0.872 212 E CB 0.034 29.824 29.700 0.149 0.000 0.797 212 E HN 0.585 nan 8.360 nan 0.000 0.538 213 D N 0.496 120.864 120.400 -0.052 0.000 2.347 213 D HA -0.166 4.473 4.640 -0.000 0.000 0.215 213 D C 0.780 177.102 176.300 0.036 0.000 0.976 213 D CA 0.632 54.590 54.000 -0.071 0.000 0.884 213 D CB -0.317 40.380 40.800 -0.173 0.000 0.915 213 D HN 0.368 nan 8.370 nan 0.000 0.526 214 H N -0.221 118.924 119.070 0.127 0.000 2.505 214 H HA 0.260 4.816 4.556 -0.001 0.000 0.286 214 H C 1.533 176.933 175.328 0.120 0.000 1.072 214 H CA -0.658 55.455 56.048 0.107 0.000 1.141 214 H CB 0.218 30.058 29.762 0.129 0.000 1.550 214 H HN 0.125 nan 8.280 nan 0.000 0.547 215 I N 0.857 121.528 120.570 0.167 0.000 2.335 215 I HA -0.129 4.041 4.170 -0.000 0.000 0.251 215 I C 2.331 178.398 176.117 -0.083 0.000 1.129 215 I CA 1.311 62.572 61.300 -0.065 0.000 1.402 215 I CB -0.135 37.857 38.000 -0.012 0.000 1.069 215 I HN 0.286 nan 8.210 nan 0.000 0.424 216 G N -0.155 108.588 108.800 -0.095 0.000 2.448 216 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 216 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 216 G C 1.503 176.138 174.900 -0.441 0.000 1.135 216 G CA 0.515 45.365 45.100 -0.417 0.000 0.784 216 G HN 0.345 nan 8.290 nan 0.000 0.543 217 N N 0.531 119.103 118.700 -0.212 0.000 2.270 217 N HA -0.069 4.671 4.740 -0.000 0.000 0.181 217 N C 2.399 177.744 175.510 -0.275 0.000 1.016 217 N CA 1.282 54.226 53.050 -0.176 0.000 0.870 217 N CB -0.477 37.995 38.487 -0.026 0.000 0.979 217 N HN 0.182 nan 8.380 nan 0.000 0.431 218 T N 1.735 116.066 114.554 -0.373 0.000 2.653 218 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 218 T C -0.815 173.436 174.700 -0.748 0.000 1.035 218 T CA 1.458 63.119 62.100 -0.731 0.000 1.154 218 T CB -1.199 66.979 68.868 -1.151 0.000 0.862 218 T HN 0.310 nan 8.240 nan 0.000 0.441 219 P HA -0.033 nan 4.420 nan 0.000 0.216 219 P C 1.339 178.540 177.300 -0.165 0.000 1.153 219 P CA 1.218 64.149 63.100 -0.282 0.000 0.848 219 P CB -0.059 31.533 31.700 -0.180 0.000 0.787 220 K N -0.321 119.967 120.400 -0.186 0.000 2.074 220 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 220 K C 2.335 178.862 176.600 -0.121 0.000 1.048 220 K CA 1.513 57.743 56.287 -0.094 0.000 0.926 220 K CB -0.395 32.038 32.500 -0.110 0.000 0.713 220 K HN 0.253 nan 8.250 nan 0.000 0.444 221 Q N 0.263 119.957 119.800 -0.177 0.000 2.123 221 Q HA -0.041 4.298 4.340 -0.000 0.000 0.199 221 Q C 2.165 178.171 176.000 0.011 0.000 0.966 221 Q CA 0.955 56.658 55.803 -0.167 0.000 0.845 221 Q CB 0.015 28.677 28.738 -0.126 0.000 0.907 221 Q HN 0.338 nan 8.270 nan 0.000 0.439 222 I N 0.352 120.951 120.570 0.048 0.000 2.226 222 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 222 I C 1.881 178.108 176.117 0.183 0.000 1.100 222 I CA 0.624 62.041 61.300 0.195 0.000 1.374 222 I CB -0.128 37.874 38.000 0.004 0.000 1.057 222 I HN 0.221 nan 8.210 nan 0.000 0.413 223 L N 0.319 121.615 121.223 0.121 0.000 2.043 223 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 223 L C 2.404 179.380 176.870 0.177 0.000 1.075 223 L CA 1.919 56.887 54.840 0.214 0.000 0.752 223 L CB -1.051 41.201 42.059 0.322 0.000 0.891 223 L HN 0.213 nan 8.230 nan 0.000 0.432 224 L N -2.741 118.397 121.223 -0.142 0.000 2.017 224 L HA -0.268 4.072 4.340 -0.000 0.000 0.208 224 L C 2.515 179.289 176.870 -0.159 0.000 1.073 224 L CA 1.172 55.774 54.840 -0.398 0.000 0.745 224 L CB -0.777 40.912 42.059 -0.617 0.000 0.894 224 L HN 0.163 nan 8.230 nan 0.000 0.432 225 Y N 0.769 121.022 120.300 -0.080 0.000 2.069 225 Y HA -0.334 4.216 4.550 -0.001 0.000 0.278 225 Y C 2.660 178.563 175.900 0.005 0.000 1.175 225 Y CA 1.859 59.939 58.100 -0.032 0.000 1.134 225 Y CB -0.553 37.905 38.460 -0.003 0.000 0.965 225 Y HN 0.223 nan 8.280 nan 0.000 0.498 226 E N -0.416 119.914 120.200 0.217 0.000 2.038 226 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 226 E C 2.461 179.144 176.600 0.138 0.000 1.000 226 E CA 1.093 57.587 56.400 0.157 0.000 0.803 226 E CB -0.462 29.331 29.700 0.156 0.000 0.750 226 E HN 0.470 nan 8.360 nan 0.000 0.448 227 A N 0.974 123.896 122.820 0.171 0.000 1.986 227 A HA -0.170 4.149 4.320 -0.000 0.000 0.220 227 A C 1.851 179.496 177.584 0.101 0.000 1.171 227 A CA 1.199 53.348 52.037 0.185 0.000 0.640 227 A CB -0.204 19.018 19.000 0.369 0.000 0.811 227 A HN 0.113 nan 8.150 nan 0.000 0.451 228 L N -0.856 120.399 121.223 0.053 0.000 2.685 228 L HA 0.286 4.626 4.340 -0.000 0.000 0.233 228 L C 1.588 178.482 176.870 0.041 0.000 1.173 228 L CA 0.696 55.548 54.840 0.020 0.000 0.961 228 L CB -0.904 41.133 42.059 -0.036 0.000 1.217 228 L HN 0.617 nan 8.230 nan 0.000 0.478 229 G N -0.032 108.805 108.800 0.062 0.000 2.225 229 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.267 229 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.267 229 G C 0.437 175.374 174.900 0.061 0.000 1.024 229 G CA 0.425 45.559 45.100 0.057 0.000 0.784 229 G HN 0.702 nan 8.290 nan 0.000 0.507 230 A N -0.300 122.577 122.820 0.095 0.000 2.342 230 A HA 0.830 5.150 4.320 -0.000 0.000 0.323 230 A C 0.426 178.063 177.584 0.088 0.000 1.125 230 A CA 0.260 52.361 52.037 0.107 0.000 0.785 230 A CB 1.072 20.178 19.000 0.176 0.000 1.221 230 A HN 0.717 nan 8.150 nan 0.000 0.463 231 T N 5.124 119.685 114.554 0.010 0.000 2.799 231 T HA 0.386 4.735 4.350 -0.000 0.000 0.296 231 T C -2.140 172.418 174.700 -0.236 0.000 0.947 231 T CA -0.249 61.813 62.100 -0.063 0.000 1.141 231 T CB 0.056 68.892 68.868 -0.054 0.000 0.891 231 T HN 0.548 nan 8.240 nan 0.000 0.533 232 P HA 0.269 nan 4.420 nan 0.000 0.272 232 P C -2.354 174.549 177.300 -0.661 0.000 1.223 232 P CA -1.554 60.963 63.100 -0.972 0.000 0.784 232 P CB -0.247 31.096 31.700 -0.595 0.000 0.923 233 P HA 0.099 nan 4.420 nan 0.000 0.277 233 P C -0.352 176.534 177.300 -0.690 0.000 1.276 233 P CA -0.263 62.462 63.100 -0.625 0.000 0.788 233 P CB 0.432 31.749 31.700 -0.638 0.000 1.114 234 N N -0.238 118.195 118.700 -0.444 0.000 2.518 234 N HA 0.199 4.938 4.740 -0.000 0.000 0.266 234 N C -0.388 174.798 175.510 -0.541 0.000 1.196 234 N CA 0.392 53.253 53.050 -0.314 0.000 0.947 234 N CB -0.092 38.301 38.487 -0.157 0.000 1.098 234 N HN 0.298 nan 8.380 nan 0.000 0.450 235 F N 0.160 120.053 119.950 -0.095 0.000 2.480 235 F HA 0.579 5.106 4.527 -0.001 0.000 0.329 235 F C 0.340 176.053 175.800 -0.144 0.000 1.091 235 F CA -0.968 56.952 58.000 -0.134 0.000 0.972 235 F CB 1.544 40.501 39.000 -0.072 0.000 1.150 235 F HN 0.372 nan 8.300 nan 0.000 0.467 236 A N 1.953 124.678 122.820 -0.159 0.000 2.357 236 A HA 0.639 4.958 4.320 -0.000 0.000 0.295 236 A C -1.727 175.736 177.584 -0.202 0.000 1.121 236 A CA -0.600 51.266 52.037 -0.287 0.000 0.742 236 A CB 0.061 18.504 19.000 -0.929 0.000 1.181 236 A HN 0.834 nan 8.150 nan 0.000 0.454 237 H N 1.755 120.880 119.070 0.091 0.000 2.623 237 H HA 0.441 4.997 4.556 -0.001 0.000 0.299 237 H C 0.606 175.999 175.328 0.108 0.000 1.052 237 H CA 0.293 56.421 56.048 0.133 0.000 1.231 237 H CB 1.118 30.988 29.762 0.179 0.000 1.389 237 H HN 0.647 nan 8.280 nan 0.000 0.469 238 T N 2.384 117.050 114.554 0.187 0.000 2.910 238 T HA 0.301 4.651 4.350 -0.000 0.000 0.293 238 T C -2.449 172.351 174.700 0.166 0.000 1.015 238 T CA -2.026 60.182 62.100 0.182 0.000 1.094 238 T CB 1.394 70.415 68.868 0.255 0.000 0.968 238 T HN 0.289 nan 8.240 nan 0.000 0.521 239 P HA 0.290 nan 4.420 nan 0.000 0.274 239 P C -0.092 177.279 177.300 0.118 0.000 1.231 239 P CA -0.692 62.475 63.100 0.112 0.000 0.790 239 P CB 0.667 32.421 31.700 0.091 0.000 0.951 240 L N 1.605 122.879 121.223 0.085 0.000 2.472 240 L HA 0.230 4.570 4.340 -0.000 0.000 0.260 240 L C 1.056 177.978 176.870 0.087 0.000 1.209 240 L CA -0.496 54.389 54.840 0.074 0.000 0.817 240 L CB -0.225 41.858 42.059 0.041 0.000 1.106 240 L HN 0.240 nan 8.230 nan 0.000 0.479 241 I N 2.035 122.655 120.570 0.083 0.000 2.395 241 I HA 0.247 4.416 4.170 -0.000 0.000 0.289 241 I C -0.098 176.070 176.117 0.084 0.000 1.023 241 I CA -0.101 61.256 61.300 0.095 0.000 1.350 241 I CB 0.774 38.836 38.000 0.103 0.000 1.409 241 I HN 0.331 nan 8.210 nan 0.000 0.507 242 L N 5.318 126.603 121.223 0.103 0.000 2.313 242 L HA 0.482 4.822 4.340 -0.000 0.000 0.268 242 L C -0.267 176.677 176.870 0.124 0.000 1.010 242 L CA -1.008 53.888 54.840 0.092 0.000 0.814 242 L CB 1.577 43.684 42.059 0.081 0.000 1.304 242 L HN 0.640 nan 8.230 nan 0.000 0.441 243 N N -1.529 117.231 118.700 0.100 0.000 2.478 243 N HA 0.232 4.972 4.740 -0.000 0.000 0.275 243 N C 0.379 175.963 175.510 0.124 0.000 1.221 243 N CA -0.747 52.377 53.050 0.124 0.000 0.979 243 N CB 0.663 39.205 38.487 0.091 0.000 1.202 243 N HN 0.418 nan 8.380 nan 0.000 0.564 244 S N -1.137 114.647 115.700 0.141 0.000 2.400 244 S HA -0.155 4.315 4.470 -0.000 0.000 0.232 244 S C 1.209 175.861 174.600 0.087 0.000 1.025 244 S CA 1.637 59.909 58.200 0.120 0.000 0.993 244 S CB -0.879 62.400 63.200 0.130 0.000 0.808 244 S HN 0.781 nan 8.310 nan 0.000 0.478 245 T N 0.383 114.984 114.554 0.078 0.000 3.163 245 T HA 0.268 4.618 4.350 -0.000 0.000 0.260 245 T C 1.632 176.363 174.700 0.052 0.000 1.156 245 T CA 0.703 62.838 62.100 0.059 0.000 1.072 245 T CB -0.448 68.451 68.868 0.052 0.000 0.937 245 T HN 0.597 nan 8.240 nan 0.000 0.528 246 G N 1.126 109.962 108.800 0.059 0.000 2.184 246 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.264 246 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.264 246 G C -0.033 174.894 174.900 0.046 0.000 0.975 246 G CA 0.057 45.188 45.100 0.052 0.000 0.642 246 G HN 0.569 nan 8.290 nan 0.000 0.536 247 Q N 0.002 119.828 119.800 0.043 0.000 2.260 247 Q HA 0.456 4.796 4.340 -0.000 0.000 0.238 247 Q C 0.559 176.578 176.000 0.032 0.000 0.948 247 Q CA -0.565 55.258 55.803 0.033 0.000 0.895 247 Q CB 0.997 29.751 28.738 0.028 0.000 1.218 247 Q HN 0.293 nan 8.270 nan 0.000 0.470 248 K N 1.679 122.092 120.400 0.022 0.000 2.484 248 K HA -0.054 4.266 4.320 -0.000 0.000 0.280 248 K C -0.536 176.066 176.600 0.004 0.000 1.013 248 K CA -0.247 56.049 56.287 0.015 0.000 1.029 248 K CB 0.301 32.802 32.500 0.003 0.000 0.902 248 K HN 0.400 nan 8.250 nan 0.000 0.481 249 L N 4.969 126.195 121.223 0.004 0.000 2.638 249 L HA -0.008 4.331 4.340 -0.000 0.000 0.273 249 L C -0.387 176.449 176.870 -0.057 0.000 1.147 249 L CA 0.902 55.729 54.840 -0.023 0.000 0.941 249 L CB -0.146 41.897 42.059 -0.027 0.000 1.251 249 L HN 0.681 nan 8.230 nan 0.000 0.479 250 S N 3.213 118.872 115.700 -0.067 0.000 2.648 250 S HA 0.480 4.950 4.470 -0.000 0.000 0.305 250 S C 0.530 175.054 174.600 -0.126 0.000 1.094 250 S CA -0.639 57.498 58.200 -0.105 0.000 0.983 250 S CB 1.301 64.459 63.200 -0.071 0.000 1.101 250 S HN 0.648 nan 8.310 nan 0.000 0.514 251 K N 0.191 120.479 120.400 -0.187 0.000 2.633 251 K HA 0.024 4.344 4.320 -0.000 0.000 0.193 251 K C 0.988 177.551 176.600 -0.061 0.000 1.033 251 K CA 0.414 56.614 56.287 -0.145 0.000 0.980 251 K CB -0.272 32.118 32.500 -0.183 0.000 0.800 251 K HN 0.464 nan 8.250 nan 0.000 0.493 252 R N 0.854 121.324 120.500 -0.049 0.000 2.310 252 R HA 0.025 4.364 4.340 -0.000 0.000 0.202 252 R C 0.046 176.346 176.300 -0.000 0.000 0.933 252 R CA 0.396 56.485 56.100 -0.018 0.000 1.054 252 R CB 0.263 30.554 30.300 -0.015 0.000 0.985 252 R HN 0.310 nan 8.270 nan 0.000 0.489 253 D N 0.163 120.560 120.400 -0.004 0.000 2.388 253 D HA 0.180 4.819 4.640 -0.000 0.000 0.221 253 D C 1.081 177.417 176.300 0.059 0.000 1.133 253 D CA 0.427 54.443 54.000 0.028 0.000 0.831 253 D CB 0.940 41.747 40.800 0.012 0.000 0.962 253 D HN 0.296 nan 8.370 nan 0.000 0.502 254 G N 0.486 109.310 108.800 0.039 0.000 2.545 254 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.240 254 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.240 254 G C -0.247 174.668 174.900 0.026 0.000 1.172 254 G CA -0.312 44.821 45.100 0.054 0.000 0.949 254 G HN 0.150 nan 8.290 nan 0.000 0.574 255 V N 2.362 122.306 119.914 0.050 0.000 2.470 255 V HA 0.472 4.592 4.120 -0.000 0.000 0.276 255 V C 1.539 177.526 176.094 -0.178 0.000 1.040 255 V CA 1.700 63.931 62.300 -0.114 0.000 1.008 255 V CB 0.749 32.450 31.823 -0.203 0.000 0.990 255 V HN 1.551 nan 8.190 nan 0.000 0.477 256 T N -0.361 114.156 114.554 -0.063 0.000 3.028 256 T HA 0.122 4.472 4.350 -0.000 0.000 0.262 256 T C 0.747 175.674 174.700 0.378 0.000 0.916 256 T CA -0.041 62.161 62.100 0.171 0.000 0.873 256 T CB 0.202 69.121 68.868 0.084 0.000 1.232 256 T HN 0.409 nan 8.240 nan 0.000 0.529 257 S N 2.466 118.293 115.700 0.212 0.000 2.533 257 S HA 0.277 4.747 4.470 -0.000 0.000 0.282 257 S C 1.353 176.076 174.600 0.205 0.000 1.304 257 S CA -0.645 57.598 58.200 0.073 0.000 1.063 257 S CB 0.210 63.380 63.200 -0.049 0.000 0.881 257 S HN 0.188 nan 8.310 nan 0.000 0.493 258 I N 3.533 124.238 120.570 0.225 0.000 2.208 258 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 258 I C 2.633 178.845 176.117 0.158 0.000 1.097 258 I CA 1.547 63.039 61.300 0.320 0.000 1.363 258 I CB -1.954 36.201 38.000 0.258 0.000 1.051 258 I HN 0.746 nan 8.210 nan 0.000 0.413 259 S N 0.265 115.966 115.700 0.001 0.000 2.399 259 S HA -0.177 4.293 4.470 -0.000 0.000 0.231 259 S C 1.643 176.185 174.600 -0.096 0.000 1.022 259 S CA 1.197 59.320 58.200 -0.129 0.000 0.983 259 S CB -0.411 62.724 63.200 -0.108 0.000 0.803 259 S HN 0.350 nan 8.310 nan 0.000 0.480 260 D N 1.155 121.523 120.400 -0.054 0.000 2.117 260 D HA 0.039 4.679 4.640 -0.000 0.000 0.198 260 D C 1.507 177.781 176.300 -0.043 0.000 0.982 260 D CA 0.855 54.799 54.000 -0.093 0.000 0.828 260 D CB -0.516 40.184 40.800 -0.167 0.000 0.967 260 D HN 0.431 nan 8.370 nan 0.000 0.464 261 F N 1.072 121.112 119.950 0.150 0.000 2.095 261 F HA -0.109 4.418 4.527 0.000 0.000 0.298 261 F C 2.530 178.529 175.800 0.332 0.000 1.104 261 F CA 1.036 59.209 58.000 0.290 0.000 1.232 261 F CB -0.435 38.690 39.000 0.208 0.000 0.987 261 F HN -0.120 nan 8.300 nan 0.000 0.475 262 R N 0.647 121.276 120.500 0.214 0.000 2.080 262 R HA -0.197 4.143 4.340 -0.000 0.000 0.236 262 R C 2.387 178.671 176.300 -0.027 0.000 1.137 262 R CA 1.555 57.578 56.100 -0.128 0.000 0.943 262 R CB -0.678 29.063 30.300 -0.931 0.000 0.846 262 R HN 0.255 nan 8.270 nan 0.000 0.431 263 A N 0.978 123.765 122.820 -0.054 0.000 1.948 263 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 263 A C 2.181 179.780 177.584 0.024 0.000 1.177 263 A CA 1.895 53.912 52.037 -0.034 0.000 0.636 263 A CB -0.497 18.475 19.000 -0.047 0.000 0.815 263 A HN 0.436 nan 8.150 nan 0.000 0.449 264 M N -1.429 118.239 119.600 0.112 0.000 2.630 264 M HA 0.105 4.584 4.480 -0.000 0.000 0.254 264 M C 1.259 177.582 176.300 0.039 0.000 1.092 264 M CA 0.863 56.240 55.300 0.129 0.000 1.087 264 M CB -0.021 32.774 32.600 0.325 0.000 1.453 264 M HN 0.692 nan 8.290 nan 0.000 0.509 265 G N 0.311 109.154 108.800 0.071 0.000 2.165 265 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.226 265 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.226 265 G C -0.546 174.332 174.900 -0.036 0.000 1.035 265 G CA -0.567 44.536 45.100 0.006 0.000 0.744 265 G HN 0.438 nan 8.290 nan 0.000 0.501 266 Y N -0.196 120.272 120.300 0.280 0.000 2.316 266 Y HA 0.549 5.099 4.550 -0.000 0.000 0.331 266 Y C 1.441 177.540 175.900 0.331 0.000 1.083 266 Y CA -0.765 57.515 58.100 0.300 0.000 1.206 266 Y CB 0.840 39.521 38.460 0.369 0.000 1.195 266 Y HN 0.142 nan 8.280 nan 0.000 0.497 267 L N 3.606 125.002 121.223 0.289 0.000 2.410 267 L HA 0.132 4.472 4.340 -0.000 0.000 0.273 267 L C 1.380 178.126 176.870 -0.206 0.000 1.152 267 L CA -0.197 54.699 54.840 0.094 0.000 0.855 267 L CB 0.900 42.968 42.059 0.013 0.000 1.129 267 L HN 0.936 nan 8.230 nan 0.000 0.463 268 A N 6.510 128.945 122.820 -0.642 0.000 1.903 268 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 268 A C -0.250 176.872 177.584 -0.769 0.000 1.191 268 A CA 1.701 52.985 52.037 -1.255 0.000 0.638 268 A CB -1.613 16.235 19.000 -1.920 0.000 0.823 268 A HN 0.756 nan 8.150 nan 0.000 0.451 269 P HA -0.075 nan 4.420 nan 0.000 0.220 269 P C 1.505 178.164 177.300 -1.069 0.000 1.148 269 P CA 1.700 64.318 63.100 -0.803 0.000 0.803 269 P CB -0.151 31.075 31.700 -0.790 0.000 0.782 270 A N 0.082 122.278 122.820 -1.041 0.000 1.873 270 A HA -0.148 4.171 4.320 -0.000 0.000 0.215 270 A C 2.201 179.634 177.584 -0.252 0.000 1.186 270 A CA 1.399 53.086 52.037 -0.583 0.000 0.616 270 A CB -1.589 17.324 19.000 -0.145 0.000 0.823 270 A HN 0.159 nan 8.150 nan 0.000 0.442 271 L N -0.336 120.746 121.223 -0.235 0.000 2.093 271 L HA 0.018 4.357 4.340 -0.000 0.000 0.208 271 L C 2.707 179.470 176.870 -0.179 0.000 1.085 271 L CA 1.903 56.643 54.840 -0.166 0.000 0.755 271 L CB -0.846 41.134 42.059 -0.132 0.000 0.904 271 L HN 0.361 nan 8.230 nan 0.000 0.435 272 A N -0.402 122.250 122.820 -0.281 0.000 1.865 272 A HA -0.338 3.982 4.320 -0.000 0.000 0.217 272 A C 2.249 179.736 177.584 -0.162 0.000 1.191 272 A CA 2.271 54.156 52.037 -0.254 0.000 0.623 272 A CB -1.184 17.616 19.000 -0.333 0.000 0.826 272 A HN 0.672 nan 8.150 nan 0.000 0.444 273 N N -2.297 116.272 118.700 -0.218 0.000 2.043 273 N HA -0.257 4.483 4.740 -0.000 0.000 0.193 273 N C 1.815 177.279 175.510 -0.076 0.000 1.037 273 N CA 1.813 54.694 53.050 -0.283 0.000 0.851 273 N CB -0.309 37.987 38.487 -0.318 0.000 1.027 273 N HN 0.549 nan 8.380 nan 0.000 0.422 274 Y N 1.138 121.357 120.300 -0.136 0.000 2.145 274 Y HA -0.078 4.471 4.550 -0.000 0.000 0.286 274 Y C 2.230 178.100 175.900 -0.050 0.000 1.145 274 Y CA 1.552 59.599 58.100 -0.089 0.000 1.148 274 Y CB -0.306 38.047 38.460 -0.178 0.000 0.981 274 Y HN 0.123 nan 8.280 nan 0.000 0.507 275 M N -0.771 118.690 119.600 -0.230 0.000 2.202 275 M HA -0.232 4.248 4.480 -0.000 0.000 0.262 275 M C 1.830 178.015 176.300 -0.192 0.000 1.063 275 M CA 2.100 57.226 55.300 -0.291 0.000 1.097 275 M CB -0.468 31.999 32.600 -0.222 0.000 1.382 275 M HN 0.250 nan 8.290 nan 0.000 0.413 276 T N 1.009 115.561 114.554 -0.002 0.000 2.777 276 T HA -0.061 4.288 4.350 -0.000 0.000 0.266 276 T C 1.773 176.765 174.700 0.486 0.000 1.040 276 T CA 1.003 63.282 62.100 0.297 0.000 1.141 276 T CB -0.296 68.891 68.868 0.531 0.000 0.868 276 T HN 0.348 nan 8.240 nan 0.000 0.444 277 L N 0.464 121.895 121.223 0.347 0.000 2.265 277 L HA 0.073 4.413 4.340 -0.000 0.000 0.215 277 L C 0.791 177.706 176.870 0.075 0.000 1.117 277 L CA 0.511 55.509 54.840 0.264 0.000 0.782 277 L CB -0.557 41.626 42.059 0.206 0.000 0.914 277 L HN 0.240 nan 8.230 nan 0.000 0.441 278 L N 1.024 122.194 121.223 -0.089 0.000 2.451 278 L HA 0.113 4.453 4.340 -0.000 0.000 0.272 278 L C 1.123 178.117 176.870 0.206 0.000 1.258 278 L CA 0.404 55.206 54.840 -0.063 0.000 1.132 278 L CB -0.376 41.559 42.059 -0.208 0.000 1.361 278 L HN 0.359 nan 8.230 nan 0.000 0.438 279 G N 1.463 110.389 108.800 0.211 0.000 2.201 279 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.212 279 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.212 279 G C -0.571 174.501 174.900 0.287 0.000 0.994 279 G CA -0.521 44.735 45.100 0.259 0.000 0.644 279 G HN 0.496 nan 8.290 nan 0.000 0.508 280 W N 2.535 123.926 121.300 0.153 0.000 2.656 280 W HA 0.714 5.374 4.660 -0.001 0.000 0.327 280 W C -0.213 176.339 176.519 0.055 0.000 1.041 280 W CA -0.503 56.892 57.345 0.083 0.000 1.229 280 W CB 1.850 31.452 29.460 0.237 0.000 1.397 280 W HN 0.187 nan 8.180 nan 0.000 0.479 281 S N 8.102 123.427 115.700 -0.625 0.000 2.461 281 S HA 0.377 4.847 4.470 -0.000 0.000 0.322 281 S C -2.465 171.390 174.600 -1.242 0.000 1.063 281 S CA -1.290 56.524 58.200 -0.645 0.000 1.120 281 S CB 0.914 63.886 63.200 -0.380 0.000 0.968 281 S HN 0.261 nan 8.310 nan 0.000 0.467 282 P HA 0.247 nan 4.420 nan 0.000 0.268 282 P C -2.552 174.379 177.300 -0.615 0.000 1.205 282 P CA -1.132 61.232 63.100 -1.228 0.000 0.771 282 P CB -0.530 30.781 31.700 -0.648 0.000 0.858 283 P HA 0.115 nan 4.420 nan 0.000 0.274 283 P C -0.032 177.138 177.300 -0.217 0.000 1.264 283 P CA -0.255 62.681 63.100 -0.273 0.000 0.795 283 P CB 0.225 31.801 31.700 -0.207 0.000 1.064 284 E N 0.015 120.121 120.200 -0.155 0.000 2.608 284 E HA 0.081 4.431 4.350 -0.000 0.000 0.259 284 E C 1.049 177.584 176.600 -0.108 0.000 0.951 284 E CA 1.138 57.471 56.400 -0.111 0.000 0.945 284 E CB -0.525 29.127 29.700 -0.079 0.000 0.916 284 E HN 0.753 nan 8.360 nan 0.000 0.477 285 G N 2.347 111.104 108.800 -0.072 0.000 2.203 285 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.263 285 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.263 285 G C 0.730 175.609 174.900 -0.034 0.000 1.012 285 G CA 0.445 45.521 45.100 -0.040 0.000 0.749 285 G HN 0.425 nan 8.290 nan 0.000 0.512 286 V N -0.111 119.767 119.914 -0.061 0.000 2.492 286 V HA 0.534 4.654 4.120 -0.000 0.000 0.241 286 V C 2.071 178.228 176.094 0.105 0.000 1.041 286 V CA 1.867 64.162 62.300 -0.008 0.000 1.057 286 V CB -0.658 31.105 31.823 -0.100 0.000 0.711 286 V HN 2.140 nan 8.190 nan 0.000 0.468 287 G N 0.415 109.259 108.800 0.073 0.000 2.829 287 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.628 287 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.628 287 G C 0.099 175.178 174.900 0.298 0.000 1.412 287 G CA 0.150 45.337 45.100 0.144 0.000 0.864 287 G HN 0.357 nan 8.290 nan 0.000 0.544 288 E N -0.788 119.588 120.200 0.293 0.000 2.478 288 E HA 0.049 4.399 4.350 -0.000 0.000 0.198 288 E C 0.948 177.750 176.600 0.337 0.000 1.046 288 E CA 0.195 56.825 56.400 0.384 0.000 0.870 288 E CB 0.223 30.092 29.700 0.282 0.000 0.818 288 E HN 0.283 nan 8.360 nan 0.000 0.527 289 L N 1.675 123.083 121.223 0.308 0.000 2.294 289 L HA 0.371 4.710 4.340 -0.000 0.000 0.283 289 L C -1.253 175.755 176.870 0.231 0.000 1.015 289 L CA -0.385 54.514 54.840 0.097 0.000 0.831 289 L CB 0.099 42.169 42.059 0.019 0.000 1.217 289 L HN -0.078 nan 8.230 nan 0.000 0.420 290 F N 0.976 121.062 119.950 0.226 0.000 2.668 290 F HA 0.680 5.207 4.527 -0.000 0.000 0.309 290 F C -0.157 175.786 175.800 0.240 0.000 1.117 290 F CA -0.977 57.161 58.000 0.229 0.000 0.951 290 F CB 1.197 40.367 39.000 0.284 0.000 1.323 290 F HN 0.386 nan 8.300 nan 0.000 0.451 291 T N -0.555 114.250 114.554 0.419 0.000 2.922 291 T HA 0.438 4.788 4.350 -0.000 0.000 0.285 291 T C 0.855 175.770 174.700 0.357 0.000 1.005 291 T CA -0.792 61.475 62.100 0.278 0.000 1.061 291 T CB 1.473 70.457 68.868 0.192 0.000 1.007 291 T HN 0.820 nan 8.240 nan 0.000 0.502 292 L N 0.559 121.899 121.223 0.195 0.000 2.081 292 L HA -0.129 4.210 4.340 -0.000 0.000 0.212 292 L C 2.380 179.479 176.870 0.381 0.000 1.080 292 L CA 1.432 56.394 54.840 0.203 0.000 0.754 292 L CB -0.522 41.431 42.059 -0.176 0.000 0.893 292 L HN 0.722 nan 8.230 nan 0.000 0.433 293 D N -0.249 120.341 120.400 0.318 0.000 2.144 293 D HA -0.184 4.456 4.640 -0.000 0.000 0.199 293 D C 2.033 178.446 176.300 0.188 0.000 0.984 293 D CA 1.158 55.328 54.000 0.283 0.000 0.834 293 D CB -0.002 40.918 40.800 0.200 0.000 0.955 293 D HN 0.187 nan 8.370 nan 0.000 0.465 294 L N 0.793 122.148 121.223 0.220 0.000 2.068 294 L HA 0.086 4.425 4.340 -0.000 0.000 0.204 294 L C 2.143 179.142 176.870 0.216 0.000 1.076 294 L CA 1.568 56.539 54.840 0.218 0.000 0.753 294 L CB -0.822 41.410 42.059 0.287 0.000 0.910 294 L HN -0.056 nan 8.230 nan 0.000 0.439 295 A N -0.159 122.779 122.820 0.196 0.000 1.986 295 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 295 A C 2.336 179.902 177.584 -0.030 0.000 1.171 295 A CA 1.730 53.757 52.037 -0.016 0.000 0.640 295 A CB -1.168 17.673 19.000 -0.265 0.000 0.811 295 A HN 0.577 nan 8.150 nan 0.000 0.451 296 A N -0.848 121.992 122.820 0.032 0.000 2.209 296 A HA -0.024 4.295 4.320 -0.000 0.000 0.212 296 A C 1.951 179.549 177.584 0.024 0.000 1.158 296 A CA 1.340 53.380 52.037 0.005 0.000 0.742 296 A CB -0.280 18.675 19.000 -0.076 0.000 0.790 296 A HN 0.564 nan 8.150 nan 0.000 0.472 297 K N -1.296 119.072 120.400 -0.053 0.000 2.262 297 K HA 0.026 4.346 4.320 -0.000 0.000 0.200 297 K C 0.796 177.267 176.600 -0.214 0.000 1.049 297 K CA 0.808 56.928 56.287 -0.279 0.000 0.979 297 K CB 0.029 32.247 32.500 -0.469 0.000 0.773 297 K HN 0.572 nan 8.250 nan 0.000 0.474 298 H N -1.502 117.746 119.070 0.297 0.000 2.893 298 H HA 0.099 4.654 4.556 -0.001 0.000 0.270 298 H C -0.324 175.205 175.328 0.335 0.000 1.095 298 H CA -0.471 55.780 56.048 0.338 0.000 1.186 298 H CB 0.118 30.079 29.762 0.333 0.000 1.562 298 H HN 0.001 nan 8.280 nan 0.000 0.536 299 F N 3.494 123.460 119.950 0.027 0.000 2.484 299 F HA 0.289 4.815 4.527 -0.000 0.000 0.360 299 F C 0.402 175.950 175.800 -0.420 0.000 1.101 299 F CA -0.261 57.515 58.000 -0.373 0.000 1.251 299 F CB 0.615 39.206 39.000 -0.681 0.000 1.132 299 F HN -0.034 nan 8.300 nan 0.000 0.570 300 S N 4.236 119.251 115.700 -1.142 0.000 2.547 300 S HA 0.379 4.849 4.470 -0.000 0.000 0.270 300 S C -0.118 173.815 174.600 -1.112 0.000 1.150 300 S CA -0.833 56.821 58.200 -0.911 0.000 0.850 300 S CB 0.651 63.649 63.200 -0.337 0.000 1.118 300 S HN 0.503 nan 8.310 nan 0.000 0.461 301 F N 1.088 120.689 119.950 -0.581 0.000 2.502 301 F HA 0.133 4.660 4.527 -0.001 0.000 0.298 301 F C 2.481 178.128 175.800 -0.254 0.000 1.111 301 F CA 1.131 58.876 58.000 -0.424 0.000 1.445 301 F CB -0.267 38.534 39.000 -0.331 0.000 1.081 301 F HN 0.896 nan 8.300 nan 0.000 0.558 302 E N 0.827 120.981 120.200 -0.077 0.000 2.085 302 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 302 E C 1.925 178.475 176.600 -0.082 0.000 0.994 302 E CA 1.229 57.595 56.400 -0.057 0.000 0.801 302 E CB 0.017 29.687 29.700 -0.050 0.000 0.743 302 E HN 0.326 nan 8.360 nan 0.000 0.453 303 R N 0.075 120.501 120.500 -0.124 0.000 2.317 303 R HA 0.125 4.464 4.340 -0.000 0.000 0.208 303 R C -0.031 176.210 176.300 -0.099 0.000 0.914 303 R CA -0.311 55.708 56.100 -0.136 0.000 1.060 303 R CB 0.424 30.608 30.300 -0.193 0.000 1.015 303 R HN 0.180 nan 8.270 nan 0.000 0.498 304 I N 2.244 122.765 120.570 -0.082 0.000 2.598 304 I HA -0.057 4.113 4.170 -0.000 0.000 0.284 304 I C 0.693 176.797 176.117 -0.022 0.000 1.140 304 I CA -0.389 60.882 61.300 -0.048 0.000 1.420 304 I CB -0.268 37.667 38.000 -0.108 0.000 1.387 304 I HN 0.092 nan 8.210 nan 0.000 0.553 305 N N 4.242 122.943 118.700 0.002 0.000 2.345 305 N HA -0.104 4.636 4.740 -0.000 0.000 0.243 305 N C 0.927 176.448 175.510 0.019 0.000 1.246 305 N CA 0.221 53.274 53.050 0.006 0.000 0.863 305 N CB 0.858 39.361 38.487 0.028 0.000 1.096 305 N HN 0.352 nan 8.380 nan 0.000 0.446 306 K N 1.380 121.787 120.400 0.011 0.000 2.211 306 K HA 0.236 4.556 4.320 -0.000 0.000 0.201 306 K C -0.113 176.504 176.600 0.029 0.000 1.052 306 K CA 0.374 56.672 56.287 0.017 0.000 0.973 306 K CB 0.286 32.788 32.500 0.003 0.000 0.766 306 K HN 0.570 nan 8.250 nan 0.000 0.466 307 A N -0.390 122.447 122.820 0.028 0.000 2.261 307 A HA 0.664 4.983 4.320 -0.000 0.000 0.323 307 A C 0.147 177.760 177.584 0.048 0.000 1.107 307 A CA -0.384 51.673 52.037 0.033 0.000 0.883 307 A CB 0.238 19.252 19.000 0.024 0.000 1.251 307 A HN 0.235 nan 8.150 nan 0.000 0.502 308 G N -0.508 108.322 108.800 0.050 0.000 2.305 308 G HA2 0.522 4.481 3.960 -0.000 0.000 0.243 308 G HA3 0.522 4.481 3.960 -0.000 0.000 0.243 308 G C 0.237 175.175 174.900 0.063 0.000 1.288 308 G CA 0.477 45.614 45.100 0.061 0.000 0.901 308 G HN 1.432 nan 8.290 nan 0.000 0.516 309 A N 3.968 126.833 122.820 0.075 0.000 2.269 309 A HA 0.515 4.835 4.320 -0.000 0.000 0.302 309 A C 0.800 178.435 177.584 0.084 0.000 1.266 309 A CA -0.650 51.427 52.037 0.068 0.000 0.894 309 A CB 0.334 19.373 19.000 0.065 0.000 1.147 309 A HN 0.723 nan 8.150 nan 0.000 0.537 310 R N 2.579 123.130 120.500 0.084 0.000 2.347 310 R HA 0.172 4.512 4.340 -0.000 0.000 0.304 310 R C -0.907 175.485 176.300 0.154 0.000 1.072 310 R CA -0.213 55.959 56.100 0.119 0.000 0.980 310 R CB 0.237 30.595 30.300 0.098 0.000 0.986 310 R HN 0.659 nan 8.270 nan 0.000 0.448 311 F N 3.602 123.590 119.950 0.062 0.000 2.504 311 F HA 0.041 4.568 4.527 -0.001 0.000 0.369 311 F C -0.146 175.699 175.800 0.075 0.000 1.082 311 F CA 0.357 58.402 58.000 0.075 0.000 1.216 311 F CB 0.601 39.599 39.000 -0.003 0.000 1.108 311 F HN 0.444 nan 8.300 nan 0.000 0.554 312 D N 5.536 125.712 120.400 -0.374 0.000 2.542 312 D HA 0.137 4.777 4.640 -0.000 0.000 0.252 312 D C -0.033 176.006 176.300 -0.434 0.000 1.222 312 D CA -0.487 53.407 54.000 -0.176 0.000 0.895 312 D CB 0.507 41.291 40.800 -0.027 0.000 1.207 312 D HN 0.582 nan 8.370 nan 0.000 0.558 313 W N 1.966 123.200 121.300 -0.110 0.000 2.392 313 W HA -0.071 4.589 4.660 0.000 0.000 0.279 313 W C 1.560 178.040 176.519 -0.065 0.000 1.225 313 W CA 0.284 57.598 57.345 -0.052 0.000 1.233 313 W CB 0.190 29.758 29.460 0.181 0.000 1.122 313 W HN 0.430 nan 8.180 nan 0.000 0.561 314 D N 0.151 120.664 120.400 0.188 0.000 2.117 314 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 314 D C 1.821 178.185 176.300 0.107 0.000 0.987 314 D CA 1.370 55.459 54.000 0.149 0.000 0.829 314 D CB -0.419 40.450 40.800 0.116 0.000 0.961 314 D HN 0.211 nan 8.370 nan 0.000 0.460 315 K N 0.005 120.394 120.400 -0.017 0.000 2.062 315 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 315 K C 2.070 178.613 176.600 -0.096 0.000 1.051 315 K CA 0.191 56.485 56.287 0.011 0.000 0.941 315 K CB -0.164 32.359 32.500 0.038 0.000 0.719 315 K HN 0.032 nan 8.250 nan 0.000 0.440 316 L N 2.248 123.121 121.223 -0.583 0.000 2.012 316 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 316 L C 1.594 178.457 176.870 -0.012 0.000 1.073 316 L CA 1.820 56.271 54.840 -0.649 0.000 0.748 316 L CB -0.621 40.845 42.059 -0.988 0.000 0.891 316 L HN 0.129 nan 8.230 nan 0.000 0.431 317 N N -1.017 117.789 118.700 0.177 0.000 2.084 317 N HA -0.255 4.485 4.740 -0.000 0.000 0.190 317 N C 1.549 177.189 175.510 0.217 0.000 1.030 317 N CA 1.687 54.915 53.050 0.296 0.000 0.849 317 N CB -0.815 37.855 38.487 0.304 0.000 1.012 317 N HN 0.626 nan 8.380 nan 0.000 0.423 318 W N 1.957 123.285 121.300 0.046 0.000 2.318 318 W HA -0.108 4.551 4.660 -0.001 0.000 0.313 318 W C 1.977 178.515 176.519 0.032 0.000 1.221 318 W CA 1.303 58.665 57.345 0.029 0.000 1.266 318 W CB -0.516 28.952 29.460 0.014 0.000 1.150 318 W HN 0.002 nan 8.180 nan 0.000 0.496 319 L N 0.405 121.681 121.223 0.089 0.000 2.056 319 L HA -0.233 4.107 4.340 -0.000 0.000 0.207 319 L C 2.364 179.247 176.870 0.023 0.000 1.078 319 L CA 1.760 56.562 54.840 -0.063 0.000 0.749 319 L CB -1.043 41.126 42.059 0.183 0.000 0.901 319 L HN 0.084 nan 8.230 nan 0.000 0.433 320 N N 0.350 119.119 118.700 0.115 0.000 2.188 320 N HA -0.209 4.531 4.740 -0.000 0.000 0.184 320 N C 1.917 177.450 175.510 0.038 0.000 1.018 320 N CA 1.155 54.305 53.050 0.167 0.000 0.858 320 N CB -0.025 38.642 38.487 0.300 0.000 0.989 320 N HN 0.081 nan 8.380 nan 0.000 0.426 321 R N -0.086 120.382 120.500 -0.054 0.000 2.091 321 R HA -0.113 4.226 4.340 -0.000 0.000 0.238 321 R C 1.794 177.946 176.300 -0.246 0.000 1.136 321 R CA 1.442 57.459 56.100 -0.139 0.000 0.959 321 R CB -0.021 30.195 30.300 -0.139 0.000 0.856 321 R HN 0.304 nan 8.270 nan 0.000 0.437 322 Q N -0.726 118.836 119.800 -0.396 0.000 2.084 322 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 322 Q C 1.946 177.703 176.000 -0.405 0.000 0.978 322 Q CA 1.606 57.115 55.803 -0.489 0.000 0.844 322 Q CB -0.516 27.777 28.738 -0.742 0.000 0.898 322 Q HN 0.488 nan 8.270 nan 0.000 0.426 323 Y N 0.622 120.793 120.300 -0.216 0.000 2.263 323 Y HA -0.070 4.480 4.550 -0.001 0.000 0.292 323 Y C 2.308 178.126 175.900 -0.136 0.000 1.130 323 Y CA 0.546 58.555 58.100 -0.152 0.000 1.179 323 Y CB -0.307 38.081 38.460 -0.119 0.000 0.998 323 Y HN 0.001 nan 8.280 nan 0.000 0.532 324 I N -0.109 120.456 120.570 -0.010 0.000 2.127 324 I HA -0.385 3.785 4.170 -0.000 0.000 0.241 324 I C 2.057 178.013 176.117 -0.268 0.000 1.075 324 I CA 1.637 62.869 61.300 -0.113 0.000 1.334 324 I CB -0.449 37.476 38.000 -0.125 0.000 1.040 324 I HN 0.267 nan 8.210 nan 0.000 0.405 325 Q N -0.182 119.454 119.800 -0.273 0.000 2.439 325 Q HA -0.244 4.096 4.340 -0.000 0.000 0.211 325 Q C 1.908 177.778 176.000 -0.216 0.000 0.978 325 Q CA 0.925 56.558 55.803 -0.283 0.000 0.897 325 Q CB -0.067 28.523 28.738 -0.246 0.000 0.956 325 Q HN 0.540 nan 8.270 nan 0.000 0.483 326 Q N -0.240 119.454 119.800 -0.176 0.000 2.392 326 Q HA 0.120 4.459 4.340 -0.000 0.000 0.203 326 Q C -0.282 175.682 176.000 -0.059 0.000 0.917 326 Q CA -0.194 55.534 55.803 -0.124 0.000 0.939 326 Q CB 0.506 29.155 28.738 -0.148 0.000 1.063 326 Q HN 0.295 nan 8.270 nan 0.000 0.516 327 L N 2.011 123.200 121.223 -0.056 0.000 2.417 327 L HA 0.101 4.440 4.340 -0.000 0.000 0.268 327 L C 0.388 177.266 176.870 0.014 0.000 1.158 327 L CA -0.478 54.367 54.840 0.008 0.000 0.819 327 L CB 0.523 42.621 42.059 0.064 0.000 1.112 327 L HN 0.081 nan 8.230 nan 0.000 0.458 328 E N 2.812 123.044 120.200 0.053 0.000 2.392 328 E HA 0.027 4.376 4.350 -0.000 0.000 0.264 328 E C -1.615 175.056 176.600 0.120 0.000 1.024 328 E CA -1.682 54.761 56.400 0.072 0.000 0.903 328 E CB 0.447 30.192 29.700 0.075 0.000 0.963 328 E HN 0.332 nan 8.360 nan 0.000 0.432 329 P HA -0.208 nan 4.420 nan 0.000 0.215 329 P C 1.054 178.498 177.300 0.240 0.000 1.163 329 P CA 1.443 64.638 63.100 0.158 0.000 0.894 329 P CB 0.330 32.178 31.700 0.247 0.000 0.791 330 E N -0.888 119.489 120.200 0.294 0.000 2.070 330 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 330 E C 2.029 178.709 176.600 0.134 0.000 1.004 330 E CA 1.344 57.881 56.400 0.229 0.000 0.805 330 E CB -0.641 29.153 29.700 0.157 0.000 0.744 330 E HN 0.171 nan 8.360 nan 0.000 0.451 331 E N -0.460 119.813 120.200 0.122 0.000 2.110 331 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 331 E C 1.665 178.326 176.600 0.102 0.000 0.988 331 E CA 0.829 57.285 56.400 0.093 0.000 0.804 331 E CB -0.369 29.385 29.700 0.090 0.000 0.745 331 E HN 0.305 nan 8.360 nan 0.000 0.458 332 F N 0.348 120.285 119.950 -0.021 0.000 2.146 332 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 332 F C 1.926 177.671 175.800 -0.093 0.000 1.096 332 F CA 1.161 59.124 58.000 -0.062 0.000 1.275 332 F CB -0.615 38.338 39.000 -0.078 0.000 1.008 332 F HN 0.203 nan 8.300 nan 0.000 0.480 333 L N 1.098 122.200 121.223 -0.201 0.000 2.042 333 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 333 L C 2.420 179.141 176.870 -0.248 0.000 1.076 333 L CA 2.167 56.843 54.840 -0.274 0.000 0.749 333 L CB -1.527 40.524 42.059 -0.015 0.000 0.893 333 L HN 0.163 nan 8.230 nan 0.000 0.432 334 A N -0.988 121.762 122.820 -0.117 0.000 1.940 334 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 334 A C 2.198 179.694 177.584 -0.146 0.000 1.176 334 A CA 1.773 53.761 52.037 -0.082 0.000 0.631 334 A CB -0.631 18.358 19.000 -0.018 0.000 0.814 334 A HN 0.545 nan 8.150 nan 0.000 0.446 335 E N -0.977 119.102 120.200 -0.202 0.000 2.204 335 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 335 E C 1.648 178.025 176.600 -0.372 0.000 0.989 335 E CA 0.694 56.962 56.400 -0.221 0.000 0.824 335 E CB -0.088 29.515 29.700 -0.161 0.000 0.756 335 E HN 0.464 nan 8.360 nan 0.000 0.477 336 L N -0.206 120.654 121.223 -0.605 0.000 2.202 336 L HA 0.045 4.385 4.340 -0.000 0.000 0.205 336 L C 1.866 178.200 176.870 -0.894 0.000 1.083 336 L CA 0.985 55.237 54.840 -0.979 0.000 0.790 336 L CB -0.304 40.855 42.059 -1.500 0.000 0.942 336 L HN 0.188 nan 8.230 nan 0.000 0.452 337 I N 0.343 120.649 120.570 -0.440 0.000 2.151 337 I HA -0.268 3.901 4.170 -0.000 0.000 0.243 337 I C -0.453 175.718 176.117 0.089 0.000 1.080 337 I CA 1.534 62.853 61.300 0.032 0.000 1.339 337 I CB -1.303 36.812 38.000 0.192 0.000 1.039 337 I HN 0.244 nan 8.210 nan 0.000 0.409 338 P HA -0.100 nan 4.420 nan 0.000 0.221 338 P C 1.810 179.077 177.300 -0.056 0.000 1.150 338 P CA 1.198 64.285 63.100 -0.022 0.000 0.800 338 P CB 0.019 31.687 31.700 -0.054 0.000 0.787 339 L N -2.020 119.103 121.223 -0.166 0.000 2.005 339 L HA -0.126 4.213 4.340 -0.000 0.000 0.207 339 L C 2.527 179.330 176.870 -0.112 0.000 1.072 339 L CA 1.524 56.245 54.840 -0.199 0.000 0.744 339 L CB -1.231 40.619 42.059 -0.347 0.000 0.895 339 L HN 0.053 nan 8.230 nan 0.000 0.433 340 W N 0.890 122.100 121.300 -0.149 0.000 2.338 340 W HA -0.171 4.489 4.660 -0.001 0.000 0.304 340 W C 2.663 179.111 176.519 -0.118 0.000 1.212 340 W CA 0.859 58.061 57.345 -0.239 0.000 1.264 340 W CB -1.040 28.206 29.460 -0.358 0.000 1.142 340 W HN 0.331 nan 8.180 nan 0.000 0.512 341 Q N -0.781 119.218 119.800 0.332 0.000 2.124 341 Q HA -0.110 4.229 4.340 -0.000 0.000 0.202 341 Q C 2.498 178.515 176.000 0.028 0.000 0.977 341 Q CA 1.731 57.647 55.803 0.188 0.000 0.850 341 Q CB -0.836 27.972 28.738 0.118 0.000 0.901 341 Q HN 0.292 nan 8.270 nan 0.000 0.429 342 G N 0.133 108.920 108.800 -0.022 0.000 2.484 342 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.218 342 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.218 342 G C 1.299 176.126 174.900 -0.121 0.000 1.130 342 G CA 0.613 45.674 45.100 -0.066 0.000 0.784 342 G HN 0.390 nan 8.290 nan 0.000 0.543 343 A N -0.274 122.403 122.820 -0.238 0.000 2.206 343 A HA 0.440 4.760 4.320 -0.000 0.000 0.211 343 A C 2.089 179.475 177.584 -0.331 0.000 1.158 343 A CA 1.386 53.169 52.037 -0.424 0.000 0.761 343 A CB -0.434 18.002 19.000 -0.939 0.000 0.801 343 A HN 1.520 nan 8.150 nan 0.000 0.473 344 G N -2.449 106.265 108.800 -0.143 0.000 2.157 344 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.248 344 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.248 344 G C -0.143 174.880 174.900 0.206 0.000 0.979 344 G CA 0.133 45.248 45.100 0.025 0.000 0.650 344 G HN 0.350 nan 8.290 nan 0.000 0.529 345 Y N 1.304 121.675 120.300 0.118 0.000 2.605 345 Y HA 0.519 5.068 4.550 -0.002 0.000 0.336 345 Y C 1.012 177.143 175.900 0.385 0.000 1.111 345 Y CA -0.873 57.330 58.100 0.171 0.000 1.422 345 Y CB 0.231 38.502 38.460 -0.316 0.000 1.193 345 Y HN 0.505 nan 8.280 nan 0.000 0.526 346 A N 6.407 129.575 122.820 0.581 0.000 2.366 346 A HA 0.713 5.033 4.320 -0.000 0.000 0.272 346 A C -0.675 177.310 177.584 0.669 0.000 1.135 346 A CA -0.145 52.156 52.037 0.440 0.000 0.804 346 A CB -0.445 18.750 19.000 0.325 0.000 1.064 346 A HN 0.709 nan 8.150 nan 0.000 0.499 347 F N -0.404 119.723 119.950 0.295 0.000 2.890 347 F HA 0.539 5.066 4.527 -0.001 0.000 0.326 347 F C -1.609 174.295 175.800 0.174 0.000 1.143 347 F CA -1.417 56.759 58.000 0.294 0.000 0.906 347 F CB 0.642 39.898 39.000 0.427 0.000 1.303 347 F HN 0.457 nan 8.300 nan 0.000 0.447 348 D N 0.897 121.401 120.400 0.173 0.000 2.308 348 D HA 0.364 5.004 4.640 -0.000 0.000 0.242 348 D C 0.467 176.853 176.300 0.142 0.000 1.059 348 D CA -0.323 53.691 54.000 0.022 0.000 0.830 348 D CB 1.760 42.589 40.800 0.049 0.000 1.161 348 D HN 0.629 nan 8.370 nan 0.000 0.494 349 E N 2.082 122.329 120.200 0.079 0.000 2.160 349 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 349 E C 0.996 177.642 176.600 0.077 0.000 0.991 349 E CA 0.974 57.480 56.400 0.178 0.000 0.810 349 E CB 0.234 30.007 29.700 0.123 0.000 0.742 349 E HN 0.554 nan 8.360 nan 0.000 0.466 350 E N 0.725 120.946 120.200 0.036 0.000 2.075 350 E HA -0.010 4.340 4.350 -0.000 0.000 0.190 350 E C 2.071 178.672 176.600 0.001 0.000 0.969 350 E CA 0.554 56.961 56.400 0.011 0.000 0.815 350 E CB -0.289 29.415 29.700 0.007 0.000 0.776 350 E HN 0.176 nan 8.360 nan 0.000 0.457 351 R N 0.786 121.297 120.500 0.020 0.000 2.073 351 R HA -0.034 4.306 4.340 -0.000 0.000 0.229 351 R C 1.207 177.514 176.300 0.013 0.000 1.120 351 R CA 1.236 57.354 56.100 0.030 0.000 0.967 351 R CB 0.050 30.387 30.300 0.062 0.000 0.862 351 R HN 0.102 nan 8.270 nan 0.000 0.436 352 D N -0.162 120.225 120.400 -0.022 0.000 2.328 352 D HA -0.024 4.616 4.640 -0.000 0.000 0.226 352 D C 1.428 177.321 176.300 -0.678 0.000 1.066 352 D CA 0.155 54.003 54.000 -0.252 0.000 0.861 352 D CB 0.114 40.842 40.800 -0.121 0.000 0.912 352 D HN 0.144 nan 8.370 nan 0.000 0.521 353 R N 1.056 121.373 120.500 -0.305 0.000 2.096 353 R HA -0.138 4.202 4.340 -0.000 0.000 0.240 353 R C -0.752 175.422 176.300 -0.211 0.000 1.139 353 R CA 1.468 57.428 56.100 -0.234 0.000 0.952 353 R CB -0.663 29.582 30.300 -0.091 0.000 0.854 353 R HN 0.110 nan 8.270 nan 0.000 0.436 354 P HA -0.223 nan 4.420 nan 0.000 0.215 354 P C 0.878 178.204 177.300 0.044 0.000 1.157 354 P CA 1.688 64.772 63.100 -0.028 0.000 0.874 354 P CB -0.553 31.160 31.700 0.022 0.000 0.790 355 W N -0.558 120.729 121.300 -0.023 0.000 2.518 355 W HA 0.053 4.713 4.660 -0.001 0.000 0.273 355 W C 1.439 177.876 176.519 -0.136 0.000 1.247 355 W CA 0.233 57.519 57.345 -0.098 0.000 1.288 355 W CB -1.492 27.855 29.460 -0.188 0.000 1.107 355 W HN -0.106 nan 8.180 nan 0.000 0.586 356 L N 0.386 121.186 121.223 -0.705 0.000 2.046 356 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 356 L C 2.764 179.597 176.870 -0.062 0.000 1.077 356 L CA 1.980 56.495 54.840 -0.542 0.000 0.747 356 L CB -1.142 40.558 42.059 -0.599 0.000 0.896 356 L HN -0.111 nan 8.230 nan 0.000 0.432 357 F N 1.161 121.032 119.950 -0.132 0.000 2.102 357 F HA -0.270 4.257 4.527 -0.001 0.000 0.298 357 F C 2.241 178.049 175.800 0.014 0.000 1.105 357 F CA 1.824 59.808 58.000 -0.027 0.000 1.239 357 F CB -0.186 38.795 39.000 -0.032 0.000 0.991 357 F HN 0.114 nan 8.300 nan 0.000 0.474 358 D N 0.335 120.825 120.400 0.151 0.000 2.144 358 D HA -0.168 4.471 4.640 -0.000 0.000 0.199 358 D C 2.214 178.475 176.300 -0.065 0.000 0.984 358 D CA 1.256 55.288 54.000 0.053 0.000 0.834 358 D CB -0.570 40.297 40.800 0.113 0.000 0.955 358 D HN 0.334 nan 8.370 nan 0.000 0.465 359 L N 0.830 122.009 121.223 -0.074 0.000 2.093 359 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 359 L C 2.079 178.961 176.870 0.021 0.000 1.085 359 L CA 1.629 56.379 54.840 -0.150 0.000 0.755 359 L CB -0.674 41.240 42.059 -0.241 0.000 0.904 359 L HN -0.044 nan 8.230 nan 0.000 0.435 360 A N -1.189 121.663 122.820 0.054 0.000 1.902 360 A HA -0.201 4.118 4.320 -0.000 0.000 0.217 360 A C 2.161 179.831 177.584 0.143 0.000 1.181 360 A CA 1.507 53.617 52.037 0.122 0.000 0.623 360 A CB -0.558 18.415 19.000 -0.045 0.000 0.818 360 A HN 0.559 nan 8.150 nan 0.000 0.443 361 Q N -0.876 118.846 119.800 -0.130 0.000 2.124 361 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 361 Q C 2.069 178.039 176.000 -0.051 0.000 0.977 361 Q CA 1.425 57.137 55.803 -0.152 0.000 0.850 361 Q CB -0.628 27.949 28.738 -0.268 0.000 0.901 361 Q HN 0.614 nan 8.270 nan 0.000 0.429 362 L N -0.154 121.054 121.223 -0.024 0.000 2.056 362 L HA -0.123 4.216 4.340 -0.000 0.000 0.207 362 L C 1.815 178.721 176.870 0.060 0.000 1.078 362 L CA 1.307 56.151 54.840 0.007 0.000 0.749 362 L CB -0.415 41.628 42.059 -0.027 0.000 0.901 362 L HN 0.106 nan 8.230 nan 0.000 0.433 363 L N -0.758 120.541 121.223 0.125 0.000 2.179 363 L HA -0.058 4.281 4.340 -0.000 0.000 0.208 363 L C 2.511 179.464 176.870 0.138 0.000 1.096 363 L CA 1.415 56.372 54.840 0.195 0.000 0.779 363 L CB -1.150 41.097 42.059 0.314 0.000 0.922 363 L HN 0.443 nan 8.230 nan 0.000 0.443 364 Q N 0.130 119.963 119.800 0.055 0.000 2.047 364 Q HA -0.245 4.095 4.340 -0.000 0.000 0.211 364 Q C -0.585 175.266 176.000 -0.249 0.000 1.005 364 Q CA 2.922 58.501 55.803 -0.373 0.000 0.866 364 Q CB -0.883 27.499 28.738 -0.594 0.000 0.938 364 Q HN 0.293 nan 8.270 nan 0.000 0.414 365 P HA -0.064 nan 4.420 nan 0.000 0.222 365 P C 0.280 177.542 177.300 -0.063 0.000 1.147 365 P CA 1.756 64.791 63.100 -0.109 0.000 0.790 365 P CB -0.094 31.568 31.700 -0.064 0.000 0.780 366 G N -1.413 107.376 108.800 -0.019 0.000 3.774 366 G HA2 0.266 4.225 3.960 -0.000 0.000 0.287 366 G HA3 0.266 4.225 3.960 -0.000 0.000 0.287 366 G C -0.149 174.773 174.900 0.037 0.000 1.030 366 G CA -0.155 44.956 45.100 0.019 0.000 0.824 366 G HN 0.134 nan 8.290 nan 0.000 0.518 367 L N 1.156 122.389 121.223 0.017 0.000 2.264 367 L HA 0.289 4.629 4.340 -0.000 0.000 0.289 367 L C 0.583 177.461 176.870 0.012 0.000 1.044 367 L CA -0.816 54.049 54.840 0.042 0.000 0.807 367 L CB 1.396 43.510 42.059 0.091 0.000 1.192 367 L HN -0.007 nan 8.230 nan 0.000 0.425 368 N N 1.160 119.875 118.700 0.026 0.000 2.216 368 N HA -0.053 4.687 4.740 -0.000 0.000 0.183 368 N C 0.755 176.224 175.510 -0.070 0.000 1.017 368 N CA 0.886 53.954 53.050 0.030 0.000 0.861 368 N CB 0.221 38.757 38.487 0.082 0.000 0.986 368 N HN 0.743 nan 8.380 nan 0.000 0.428 369 T N -3.172 111.311 114.554 -0.118 0.000 2.883 369 T HA 0.466 4.815 4.350 -0.000 0.000 0.296 369 T C 1.193 175.848 174.700 -0.074 0.000 1.117 369 T CA -0.757 61.197 62.100 -0.242 0.000 1.006 369 T CB 1.199 69.838 68.868 -0.381 0.000 1.191 369 T HN -0.123 nan 8.240 nan 0.000 0.508 370 L N 0.494 121.686 121.223 -0.051 0.000 2.131 370 L HA 0.010 4.350 4.340 -0.000 0.000 0.210 370 L C 3.106 179.940 176.870 -0.060 0.000 1.092 370 L CA 1.074 55.909 54.840 -0.008 0.000 0.759 370 L CB -0.525 41.518 42.059 -0.026 0.000 0.903 370 L HN 0.669 nan 8.230 nan 0.000 0.435 371 R N 0.278 120.738 120.500 -0.065 0.000 2.152 371 R HA -0.163 4.177 4.340 -0.000 0.000 0.232 371 R C 2.015 178.317 176.300 0.003 0.000 1.117 371 R CA 1.130 57.201 56.100 -0.050 0.000 0.981 371 R CB -0.286 29.989 30.300 -0.041 0.000 0.870 371 R HN 0.513 nan 8.270 nan 0.000 0.451 372 E N 0.368 120.581 120.200 0.022 0.000 2.265 372 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 372 E C 1.790 178.479 176.600 0.148 0.000 0.996 372 E CA 0.858 57.304 56.400 0.076 0.000 0.832 372 E CB -0.034 29.706 29.700 0.067 0.000 0.756 372 E HN 0.342 nan 8.360 nan 0.000 0.491 373 A N 0.871 123.775 122.820 0.140 0.000 2.125 373 A HA -0.139 4.180 4.320 -0.000 0.000 0.219 373 A C 2.009 179.895 177.584 0.504 0.000 1.156 373 A CA 0.734 52.934 52.037 0.271 0.000 0.671 373 A CB -0.389 18.644 19.000 0.055 0.000 0.794 373 A HN 0.135 nan 8.150 nan 0.000 0.459 374 I N -0.285 120.482 120.570 0.327 0.000 2.110 374 I HA -0.204 3.966 4.170 -0.000 0.000 0.236 374 I C 1.887 178.284 176.117 0.466 0.000 1.068 374 I CA 1.555 63.110 61.300 0.424 0.000 1.333 374 I CB -0.318 37.770 38.000 0.146 0.000 1.054 374 I HN 0.189 nan 8.210 nan 0.000 0.402 375 D N 0.295 120.870 120.400 0.292 0.000 2.144 375 D HA -0.170 4.470 4.640 -0.000 0.000 0.200 375 D C 2.210 178.660 176.300 0.251 0.000 0.978 375 D CA 1.109 55.255 54.000 0.242 0.000 0.833 375 D CB -0.227 40.666 40.800 0.155 0.000 0.961 375 D HN 0.440 nan 8.370 nan 0.000 0.470 376 Q N -0.360 119.611 119.800 0.284 0.000 2.311 376 Q HA 0.060 4.400 4.340 -0.000 0.000 0.203 376 Q C 1.974 178.211 176.000 0.394 0.000 0.954 376 Q CA 0.949 56.927 55.803 0.291 0.000 0.885 376 Q CB 0.215 29.117 28.738 0.273 0.000 0.963 376 Q HN 0.238 nan 8.270 nan 0.000 0.471 377 G N 0.297 109.390 108.800 0.488 0.000 2.744 377 G HA2 0.069 4.028 3.960 -0.000 0.000 0.211 377 G HA3 0.069 4.028 3.960 -0.000 0.000 0.211 377 G C 1.455 176.544 174.900 0.314 0.000 1.146 377 G CA 0.523 45.941 45.100 0.530 0.000 0.787 377 G HN 0.326 nan 8.290 nan 0.000 0.534 378 A N 0.723 123.670 122.820 0.212 0.000 1.909 378 A HA -0.180 4.140 4.320 -0.000 0.000 0.221 378 A C 2.572 180.108 177.584 -0.080 0.000 1.223 378 A CA 2.185 54.237 52.037 0.026 0.000 0.658 378 A CB -1.087 18.016 19.000 0.173 0.000 0.831 378 A HN 0.612 nan 8.150 nan 0.000 0.462 379 V N -1.427 118.400 119.914 -0.145 0.000 2.469 379 V HA -0.221 3.899 4.120 -0.000 0.000 0.251 379 V C 1.994 177.831 176.094 -0.427 0.000 1.064 379 V CA 2.335 64.427 62.300 -0.348 0.000 1.066 379 V CB -0.637 30.874 31.823 -0.520 0.000 0.667 379 V HN 0.551 nan 8.190 nan 0.000 0.461 380 F N -1.864 117.965 119.950 -0.201 0.000 2.765 380 F HA 0.284 4.811 4.527 -0.000 0.000 0.302 380 F C 1.465 176.792 175.800 -0.787 0.000 1.111 380 F CA 0.412 58.120 58.000 -0.487 0.000 1.359 380 F CB -0.080 38.551 39.000 -0.614 0.000 1.097 380 F HN 0.164 nan 8.300 nan 0.000 0.577 381 F N -0.865 118.940 119.950 -0.241 0.000 2.711 381 F HA 0.337 4.863 4.527 -0.001 0.000 0.296 381 F C 0.704 176.547 175.800 0.071 0.000 1.096 381 F CA -0.423 57.414 58.000 -0.272 0.000 1.280 381 F CB 0.275 38.726 39.000 -0.915 0.000 1.060 381 F HN -0.356 nan 8.300 nan 0.000 0.608 382 I N 2.488 123.153 120.570 0.158 0.000 2.312 382 I HA 0.158 4.328 4.170 -0.000 0.000 0.291 382 I C -1.525 174.579 176.117 -0.021 0.000 1.031 382 I CA -1.674 59.685 61.300 0.099 0.000 1.293 382 I CB 1.055 39.077 38.000 0.037 0.000 1.403 382 I HN -0.135 nan 8.210 nan 0.000 0.484 383 P HA -0.107 nan 4.420 nan 0.000 0.215 383 P C 0.028 176.963 177.300 -0.607 0.000 1.153 383 P CA 0.997 63.548 63.100 -0.915 0.000 0.853 383 P CB 0.104 31.337 31.700 -0.779 0.000 0.788 384 S N -0.869 114.616 115.700 -0.359 0.000 2.501 384 S HA 0.527 4.997 4.470 -0.000 0.000 0.301 384 S C -0.113 174.315 174.600 -0.287 0.000 1.096 384 S CA -0.928 57.088 58.200 -0.306 0.000 1.063 384 S CB 1.586 64.635 63.200 -0.251 0.000 1.042 384 S HN 0.009 nan 8.310 nan 0.000 0.494 385 V N 0.117 119.808 119.914 -0.372 0.000 2.716 385 V HA 0.728 4.848 4.120 -0.000 0.000 0.304 385 V C -0.073 175.668 176.094 -0.588 0.000 1.053 385 V CA -0.440 61.592 62.300 -0.448 0.000 0.984 385 V CB 1.155 32.687 31.823 -0.486 0.000 1.021 385 V HN 0.905 nan 8.190 nan 0.000 0.467 386 T N 4.576 118.864 114.554 -0.443 0.000 2.758 386 T HA 0.587 4.936 4.350 -0.000 0.000 0.285 386 T C -0.642 173.855 174.700 -0.338 0.000 0.981 386 T CA 0.148 62.034 62.100 -0.357 0.000 0.965 386 T CB 0.265 69.035 68.868 -0.163 0.000 0.927 386 T HN 0.483 nan 8.240 nan 0.000 0.448 387 F N 4.119 124.040 119.950 -0.048 0.000 2.438 387 F HA 0.251 4.778 4.527 -0.000 0.000 0.360 387 F C 1.126 176.903 175.800 -0.039 0.000 1.118 387 F CA -1.689 56.281 58.000 -0.050 0.000 1.164 387 F CB 0.029 38.998 39.000 -0.051 0.000 1.131 387 F HN 0.521 nan 8.300 nan 0.000 0.527 388 D N 0.271 120.744 120.400 0.122 0.000 2.363 388 D HA 0.046 4.686 4.640 -0.000 0.000 0.240 388 D C 1.341 177.679 176.300 0.063 0.000 1.236 388 D CA -0.007 54.033 54.000 0.066 0.000 0.927 388 D CB 0.424 41.246 40.800 0.038 0.000 1.150 388 D HN 0.422 nan 8.370 nan 0.000 0.458 389 S N 0.259 115.982 115.700 0.037 0.000 2.392 389 S HA -0.342 4.127 4.470 -0.000 0.000 0.232 389 S C 1.369 175.973 174.600 0.007 0.000 1.041 389 S CA 1.517 59.730 58.200 0.021 0.000 1.026 389 S CB -0.766 62.443 63.200 0.015 0.000 0.845 389 S HN 0.654 nan 8.310 nan 0.000 0.465 390 E N 2.013 122.217 120.200 0.006 0.000 2.047 390 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 390 E C 2.592 179.170 176.600 -0.036 0.000 0.987 390 E CA 0.965 57.355 56.400 -0.017 0.000 0.799 390 E CB -0.511 29.177 29.700 -0.021 0.000 0.752 390 E HN 0.704 nan 8.360 nan 0.000 0.449 391 A N 1.923 124.737 122.820 -0.009 0.000 1.877 391 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 391 A C 2.249 179.778 177.584 -0.092 0.000 1.186 391 A CA 1.401 53.432 52.037 -0.009 0.000 0.620 391 A CB -0.398 18.689 19.000 0.145 0.000 0.822 391 A HN 0.107 nan 8.150 nan 0.000 0.443 392 M N -0.337 119.230 119.600 -0.055 0.000 2.108 392 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 392 M C 2.506 178.742 176.300 -0.107 0.000 1.066 392 M CA 1.731 56.966 55.300 -0.108 0.000 1.107 392 M CB -1.549 31.032 32.600 -0.030 0.000 1.356 392 M HN 0.509 nan 8.290 nan 0.000 0.406 393 A N -0.588 122.190 122.820 -0.070 0.000 1.902 393 A HA -0.216 4.103 4.320 -0.000 0.000 0.217 393 A C 2.129 179.666 177.584 -0.078 0.000 1.181 393 A CA 1.892 53.892 52.037 -0.063 0.000 0.623 393 A CB -0.672 18.302 19.000 -0.042 0.000 0.818 393 A HN 0.475 nan 8.150 nan 0.000 0.443 394 Q N -0.038 119.707 119.800 -0.091 0.000 2.079 394 Q HA -0.007 4.332 4.340 -0.000 0.000 0.200 394 Q C 1.751 177.681 176.000 -0.117 0.000 0.974 394 Q CA 1.565 57.310 55.803 -0.097 0.000 0.840 394 Q CB -0.493 28.184 28.738 -0.102 0.000 0.898 394 Q HN 0.650 nan 8.270 nan 0.000 0.430 395 L N -0.875 120.247 121.223 -0.168 0.000 2.376 395 L HA 0.061 4.400 4.340 -0.000 0.000 0.219 395 L C 2.017 178.801 176.870 -0.143 0.000 1.133 395 L CA 0.720 55.441 54.840 -0.198 0.000 0.816 395 L CB -0.437 41.413 42.059 -0.349 0.000 0.933 395 L HN 0.324 nan 8.230 nan 0.000 0.449 396 G N -1.397 107.333 108.800 -0.117 0.000 2.511 396 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.217 396 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.217 396 G C 0.803 175.669 174.900 -0.057 0.000 1.133 396 G CA -0.227 44.822 45.100 -0.084 0.000 0.792 396 G HN 0.176 nan 8.290 nan 0.000 0.539 397 Q N 0.564 120.330 119.800 -0.056 0.000 2.333 397 Q HA 0.030 4.370 4.340 -0.000 0.000 0.299 397 Q C -1.186 174.803 176.000 -0.018 0.000 1.067 397 Q CA -1.390 54.392 55.803 -0.036 0.000 0.943 397 Q CB 1.055 29.768 28.738 -0.041 0.000 1.233 397 Q HN 0.199 nan 8.270 nan 0.000 0.401 398 P HA -0.165 nan 4.420 nan 0.000 0.218 398 P C 0.720 178.025 177.300 0.009 0.000 1.148 398 P CA 1.213 64.332 63.100 0.032 0.000 0.822 398 P CB 0.535 32.260 31.700 0.042 0.000 0.784 399 Q N -0.866 118.929 119.800 -0.009 0.000 2.319 399 Q HA 0.156 4.496 4.340 -0.000 0.000 0.202 399 Q C 2.111 178.098 176.000 -0.023 0.000 0.896 399 Q CA 0.298 56.091 55.803 -0.016 0.000 0.942 399 Q CB -0.634 28.091 28.738 -0.021 0.000 1.083 399 Q HN 0.037 nan 8.270 nan 0.000 0.510 400 S N -0.111 115.570 115.700 -0.031 0.000 2.359 400 S HA -0.230 4.240 4.470 -0.000 0.000 0.224 400 S C 1.866 176.445 174.600 -0.034 0.000 1.035 400 S CA 1.192 59.364 58.200 -0.046 0.000 1.018 400 S CB -0.366 62.791 63.200 -0.071 0.000 0.876 400 S HN 0.619 nan 8.310 nan 0.000 0.448 401 A N 1.073 123.878 122.820 -0.024 0.000 1.908 401 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 401 A C 2.335 179.926 177.584 0.012 0.000 1.181 401 A CA 2.258 54.288 52.037 -0.011 0.000 0.627 401 A CB -1.428 17.569 19.000 -0.006 0.000 0.818 401 A HN 0.505 nan 8.150 nan 0.000 0.445 402 T N 0.330 114.893 114.554 0.015 0.000 2.708 402 T HA -0.117 4.232 4.350 -0.000 0.000 0.266 402 T C 1.798 176.539 174.700 0.068 0.000 1.037 402 T CA 1.577 63.701 62.100 0.041 0.000 1.146 402 T CB -0.460 68.421 68.868 0.023 0.000 0.865 402 T HN 0.441 nan 8.240 nan 0.000 0.435 403 I N 0.818 121.403 120.570 0.026 0.000 2.076 403 I HA -0.190 3.980 4.170 -0.000 0.000 0.237 403 I C 2.325 178.480 176.117 0.064 0.000 1.059 403 I CA 1.424 62.737 61.300 0.023 0.000 1.317 403 I CB -0.552 37.432 38.000 -0.028 0.000 1.037 403 I HN 0.155 nan 8.210 nan 0.000 0.398 404 L N 0.573 121.809 121.223 0.022 0.000 2.043 404 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 404 L C 2.763 179.671 176.870 0.063 0.000 1.075 404 L CA 1.645 56.498 54.840 0.020 0.000 0.752 404 L CB -0.841 41.208 42.059 -0.016 0.000 0.891 404 L HN 0.304 nan 8.230 nan 0.000 0.432 405 A N -1.171 121.693 122.820 0.073 0.000 1.930 405 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 405 A C 2.207 179.868 177.584 0.128 0.000 1.175 405 A CA 1.375 53.459 52.037 0.079 0.000 0.627 405 A CB -0.838 18.200 19.000 0.063 0.000 0.815 405 A HN 0.469 nan 8.150 nan 0.000 0.443 406 Y N 0.629 120.970 120.300 0.068 0.000 2.145 406 Y HA -0.170 4.380 4.550 -0.001 0.000 0.286 406 Y C 1.949 177.952 175.900 0.171 0.000 1.145 406 Y CA 1.929 60.102 58.100 0.122 0.000 1.148 406 Y CB -0.256 38.226 38.460 0.036 0.000 0.981 406 Y HN 0.224 nan 8.280 nan 0.000 0.507 407 L N -0.942 120.475 121.223 0.323 0.000 2.093 407 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 407 L C 2.330 179.312 176.870 0.185 0.000 1.085 407 L CA 0.945 55.946 54.840 0.268 0.000 0.755 407 L CB -0.651 41.508 42.059 0.166 0.000 0.904 407 L HN 0.298 nan 8.230 nan 0.000 0.435 408 L N -0.107 121.187 121.223 0.118 0.000 2.072 408 L HA -0.168 4.171 4.340 -0.000 0.000 0.205 408 L C 2.475 179.367 176.870 0.037 0.000 1.079 408 L CA 1.704 56.592 54.840 0.080 0.000 0.752 408 L CB -0.509 41.581 42.059 0.051 0.000 0.906 408 L HN 0.206 nan 8.230 nan 0.000 0.436 409 E N -1.443 118.753 120.200 -0.008 0.000 2.153 409 E HA -0.218 4.131 4.350 -0.000 0.000 0.194 409 E C 1.270 177.724 176.600 -0.242 0.000 0.988 409 E CA 0.990 57.316 56.400 -0.124 0.000 0.811 409 E CB -0.007 29.600 29.700 -0.155 0.000 0.746 409 E HN 0.663 nan 8.360 nan 0.000 0.466 410 H N -0.533 118.434 119.070 -0.172 0.000 2.549 410 H HA 0.169 4.725 4.556 -0.001 0.000 0.279 410 H C 0.201 175.537 175.328 0.014 0.000 1.018 410 H CA -0.220 55.745 56.048 -0.137 0.000 1.175 410 H CB 0.414 30.007 29.762 -0.281 0.000 1.485 410 H HN 0.105 nan 8.280 nan 0.000 0.543 411 L N 4.557 125.870 121.223 0.150 0.000 2.534 411 L HA 0.040 4.379 4.340 -0.000 0.000 0.271 411 L C -1.667 175.286 176.870 0.138 0.000 1.178 411 L CA -1.327 53.630 54.840 0.195 0.000 0.907 411 L CB 0.374 42.578 42.059 0.240 0.000 1.164 411 L HN -0.023 nan 8.230 nan 0.000 0.482 412 P HA 0.058 nan 4.420 nan 0.000 0.271 412 P C 0.018 177.420 177.300 0.171 0.000 1.220 412 P CA -0.292 62.855 63.100 0.078 0.000 0.768 412 P CB 1.296 32.987 31.700 -0.014 0.000 0.848 413 A N 3.124 126.007 122.820 0.106 0.000 2.167 413 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 413 A C 0.763 178.409 177.584 0.103 0.000 1.151 413 A CA 0.301 52.393 52.037 0.092 0.000 0.735 413 A CB -0.739 18.285 19.000 0.040 0.000 0.802 413 A HN 0.643 nan 8.150 nan 0.000 0.467 414 E N 1.365 121.631 120.200 0.110 0.000 2.498 414 E HA 0.034 4.383 4.350 -0.000 0.000 0.252 414 E C -1.476 175.238 176.600 0.191 0.000 1.025 414 E CA -1.107 55.350 56.400 0.095 0.000 0.938 414 E CB 0.450 30.175 29.700 0.042 0.000 0.947 414 E HN 0.330 nan 8.360 nan 0.000 0.478 415 P HA -0.189 nan 4.420 nan 0.000 0.219 415 P C -0.047 177.369 177.300 0.194 0.000 1.146 415 P CA 0.998 64.164 63.100 0.110 0.000 0.808 415 P CB 0.265 31.991 31.700 0.043 0.000 0.779 416 A N 1.654 124.535 122.820 0.102 0.000 2.260 416 A HA 0.376 4.696 4.320 -0.000 0.000 0.312 416 A C -0.131 177.398 177.584 -0.091 0.000 1.321 416 A CA -0.535 51.520 52.037 0.030 0.000 0.928 416 A CB -0.072 18.930 19.000 0.004 0.000 1.158 416 A HN 0.093 nan 8.150 nan 0.000 0.542 417 L N 5.403 126.494 121.223 -0.220 0.000 2.282 417 L HA 0.329 4.668 4.340 -0.000 0.000 0.287 417 L C 0.787 177.473 176.870 -0.306 0.000 1.075 417 L CA 0.269 54.822 54.840 -0.479 0.000 0.839 417 L CB -0.050 41.480 42.059 -0.881 0.000 1.219 417 L HN 0.867 nan 8.230 nan 0.000 0.434 418 T N 1.157 115.574 114.554 -0.228 0.000 2.813 418 T HA 0.198 4.547 4.350 -0.000 0.000 0.297 418 T C 1.796 176.403 174.700 -0.155 0.000 1.036 418 T CA -0.083 61.931 62.100 -0.144 0.000 1.044 418 T CB 1.087 69.899 68.868 -0.092 0.000 0.993 418 T HN 0.481 nan 8.240 nan 0.000 0.535 419 V N -0.063 119.799 119.914 -0.088 0.000 2.332 419 V HA -0.070 4.050 4.120 -0.000 0.000 0.248 419 V C 2.912 178.973 176.094 -0.055 0.000 1.055 419 V CA 1.801 64.067 62.300 -0.057 0.000 1.038 419 V CB -2.049 29.765 31.823 -0.015 0.000 0.651 419 V HN 1.076 nan 8.190 nan 0.000 0.450 420 A N 0.572 123.361 122.820 -0.051 0.000 1.865 420 A HA -0.203 4.116 4.320 -0.000 0.000 0.217 420 A C 2.301 179.853 177.584 -0.054 0.000 1.191 420 A CA 2.746 54.761 52.037 -0.037 0.000 0.623 420 A CB -0.682 18.300 19.000 -0.030 0.000 0.826 420 A HN 0.584 nan 8.150 nan 0.000 0.444 421 M N -0.510 119.029 119.600 -0.101 0.000 2.073 421 M HA -0.136 4.344 4.480 -0.000 0.000 0.258 421 M C 2.310 178.516 176.300 -0.157 0.000 1.070 421 M CA 1.753 56.974 55.300 -0.132 0.000 1.103 421 M CB -0.716 31.762 32.600 -0.203 0.000 1.321 421 M HN 0.501 nan 8.290 nan 0.000 0.405 422 G N -0.981 107.653 108.800 -0.277 0.000 2.418 422 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.217 422 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.217 422 G C 1.396 176.373 174.900 0.129 0.000 1.158 422 G CA 0.856 45.791 45.100 -0.276 0.000 0.771 422 G HN 0.369 nan 8.290 nan 0.000 0.545 423 Q N -0.218 119.619 119.800 0.062 0.000 2.061 423 Q HA -0.108 4.232 4.340 -0.000 0.000 0.204 423 Q C 2.555 178.598 176.000 0.072 0.000 0.984 423 Q CA 1.971 57.821 55.803 0.079 0.000 0.846 423 Q CB -0.277 28.483 28.738 0.036 0.000 0.902 423 Q HN 0.665 nan 8.270 nan 0.000 0.421 424 Q N -0.689 119.140 119.800 0.048 0.000 2.172 424 Q HA -0.108 4.231 4.340 -0.000 0.000 0.200 424 Q C 1.943 177.992 176.000 0.080 0.000 0.964 424 Q CA 0.810 56.640 55.803 0.045 0.000 0.855 424 Q CB 0.011 28.767 28.738 0.030 0.000 0.918 424 Q HN 0.427 nan 8.270 nan 0.000 0.444 425 L N 0.603 121.913 121.223 0.145 0.000 2.017 425 L HA -0.224 4.115 4.340 -0.000 0.000 0.208 425 L C 2.526 179.502 176.870 0.176 0.000 1.073 425 L CA 1.365 56.351 54.840 0.244 0.000 0.745 425 L CB -0.688 41.621 42.059 0.418 0.000 0.894 425 L HN 0.414 nan 8.230 nan 0.000 0.432 426 I N -2.738 117.936 120.570 0.174 0.000 2.226 426 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 426 I C 2.605 178.708 176.117 -0.022 0.000 1.100 426 I CA 1.484 62.822 61.300 0.064 0.000 1.374 426 I CB -0.688 37.356 38.000 0.073 0.000 1.057 426 I HN 0.280 nan 8.210 nan 0.000 0.413 427 Q N 0.546 120.340 119.800 -0.009 0.000 2.061 427 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 427 Q C 2.354 178.282 176.000 -0.119 0.000 0.984 427 Q CA 1.962 57.738 55.803 -0.046 0.000 0.846 427 Q CB -0.127 28.601 28.738 -0.017 0.000 0.902 427 Q HN 0.627 nan 8.270 nan 0.000 0.421 428 Q N -0.251 119.459 119.800 -0.151 0.000 2.079 428 Q HA -0.077 4.263 4.340 -0.000 0.000 0.200 428 Q C 1.973 177.533 176.000 -0.734 0.000 0.974 428 Q CA 1.369 56.981 55.803 -0.319 0.000 0.840 428 Q CB -0.531 28.098 28.738 -0.182 0.000 0.898 428 Q HN 0.450 nan 8.270 nan 0.000 0.430 429 A N 1.193 123.574 122.820 -0.730 0.000 1.865 429 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 429 A C 2.343 179.701 177.584 -0.378 0.000 1.191 429 A CA 2.340 53.968 52.037 -0.682 0.000 0.623 429 A CB -0.897 17.973 19.000 -0.217 0.000 0.826 429 A HN 0.376 nan 8.150 nan 0.000 0.444 430 A N -0.338 122.343 122.820 -0.232 0.000 1.883 430 A HA -0.215 4.104 4.320 -0.000 0.000 0.217 430 A C 2.124 179.616 177.584 -0.153 0.000 1.186 430 A CA 2.001 53.949 52.037 -0.149 0.000 0.624 430 A CB -0.520 18.422 19.000 -0.096 0.000 0.822 430 A HN 0.560 nan 8.150 nan 0.000 0.444 431 K N -0.540 119.753 120.400 -0.179 0.000 2.147 431 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 431 K C 2.227 178.734 176.600 -0.155 0.000 1.049 431 K CA 1.088 57.289 56.287 -0.144 0.000 0.936 431 K CB -0.270 32.151 32.500 -0.131 0.000 0.722 431 K HN 0.476 nan 8.250 nan 0.000 0.446 432 A N 1.055 123.724 122.820 -0.252 0.000 1.930 432 A HA 0.022 4.342 4.320 -0.000 0.000 0.215 432 A C 2.251 179.771 177.584 -0.107 0.000 1.176 432 A CA 1.493 53.411 52.037 -0.198 0.000 0.632 432 A CB -0.362 18.419 19.000 -0.365 0.000 0.819 432 A HN 0.299 nan 8.150 nan 0.000 0.445 433 A N -1.819 120.928 122.820 -0.122 0.000 2.021 433 A HA 0.402 4.722 4.320 -0.000 0.000 0.216 433 A C 1.781 179.332 177.584 -0.055 0.000 1.163 433 A CA 1.367 53.364 52.037 -0.067 0.000 0.676 433 A CB -0.713 18.248 19.000 -0.065 0.000 0.818 433 A HN 1.903 nan 8.150 nan 0.000 0.453 434 G N -1.607 107.154 108.800 -0.065 0.000 2.165 434 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.226 434 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.226 434 G C -0.058 174.816 174.900 -0.043 0.000 1.035 434 G CA 0.256 45.328 45.100 -0.047 0.000 0.744 434 G HN 1.210 nan 8.290 nan 0.000 0.501 435 V N -0.578 119.305 119.914 -0.052 0.000 3.126 435 V HA 0.752 4.871 4.120 -0.000 0.000 0.314 435 V C 0.364 176.431 176.094 -0.045 0.000 1.138 435 V CA -1.124 61.150 62.300 -0.044 0.000 1.034 435 V CB 1.767 33.564 31.823 -0.044 0.000 1.075 435 V HN 0.295 nan 8.190 nan 0.000 0.442 436 K N 1.291 121.670 120.400 -0.035 0.000 2.168 436 K HA 0.212 4.532 4.320 -0.000 0.000 0.258 436 K C 0.910 177.491 176.600 -0.032 0.000 1.010 436 K CA -0.148 56.122 56.287 -0.029 0.000 0.929 436 K CB 0.917 33.406 32.500 -0.019 0.000 0.998 436 K HN 0.695 nan 8.250 nan 0.000 0.479 437 K N 0.512 120.897 120.400 -0.026 0.000 2.152 437 K HA -0.136 4.183 4.320 -0.000 0.000 0.206 437 K C 1.739 178.331 176.600 -0.015 0.000 1.048 437 K CA 1.780 58.054 56.287 -0.021 0.000 0.933 437 K CB -0.429 32.065 32.500 -0.009 0.000 0.721 437 K HN 0.704 nan 8.250 nan 0.000 0.447 438 G N 0.922 109.717 108.800 -0.009 0.000 2.440 438 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 438 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 438 G C 1.719 176.609 174.900 -0.015 0.000 1.154 438 G CA 0.922 46.020 45.100 -0.003 0.000 0.767 438 G HN 0.498 nan 8.290 nan 0.000 0.552 439 A N -0.185 122.621 122.820 -0.024 0.000 2.016 439 A HA 0.152 4.471 4.320 -0.000 0.000 0.217 439 A C 2.476 180.030 177.584 -0.048 0.000 1.162 439 A CA 2.056 54.072 52.037 -0.036 0.000 0.662 439 A CB -0.492 18.488 19.000 -0.034 0.000 0.812 439 A HN 0.277 nan 8.150 nan 0.000 0.450 440 T N 0.296 114.821 114.554 -0.048 0.000 2.777 440 T HA -0.126 4.223 4.350 -0.000 0.000 0.266 440 T C 1.925 176.584 174.700 -0.069 0.000 1.040 440 T CA 1.786 63.850 62.100 -0.059 0.000 1.141 440 T CB -0.300 68.533 68.868 -0.058 0.000 0.868 440 T HN 0.456 nan 8.240 nan 0.000 0.444 441 M N 0.414 119.983 119.600 -0.052 0.000 2.254 441 M HA 0.020 4.500 4.480 -0.000 0.000 0.265 441 M C 2.511 178.768 176.300 -0.071 0.000 1.066 441 M CA 1.306 56.572 55.300 -0.057 0.000 1.123 441 M CB -0.327 32.264 32.600 -0.015 0.000 1.388 441 M HN 0.085 nan 8.290 nan 0.000 0.425 442 R N -0.275 120.186 120.500 -0.064 0.000 2.081 442 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 442 R C 2.210 178.452 176.300 -0.096 0.000 1.131 442 R CA 1.862 57.911 56.100 -0.084 0.000 0.960 442 R CB -0.739 29.514 30.300 -0.079 0.000 0.856 442 R HN 0.365 nan 8.270 nan 0.000 0.436 443 T N 1.718 116.216 114.554 -0.093 0.000 2.737 443 T HA -0.127 4.222 4.350 -0.000 0.000 0.265 443 T C 1.770 176.400 174.700 -0.117 0.000 1.038 443 T CA 1.088 63.128 62.100 -0.101 0.000 1.144 443 T CB -0.240 68.574 68.868 -0.090 0.000 0.866 443 T HN 0.103 nan 8.240 nan 0.000 0.434 444 L N 1.235 122.369 121.223 -0.148 0.000 2.046 444 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 444 L C 2.556 179.307 176.870 -0.197 0.000 1.077 444 L CA 1.758 56.460 54.840 -0.230 0.000 0.747 444 L CB -0.439 41.409 42.059 -0.353 0.000 0.896 444 L HN 0.059 nan 8.230 nan 0.000 0.432 445 R N -0.597 119.818 120.500 -0.142 0.000 2.081 445 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 445 R C 2.195 178.456 176.300 -0.066 0.000 1.131 445 R CA 1.373 57.413 56.100 -0.101 0.000 0.960 445 R CB -0.442 29.812 30.300 -0.076 0.000 0.856 445 R HN 0.520 nan 8.270 nan 0.000 0.436 446 A N 0.713 123.501 122.820 -0.052 0.000 1.940 446 A HA -0.145 4.174 4.320 -0.000 0.000 0.219 446 A C 2.328 179.996 177.584 0.139 0.000 1.176 446 A CA 1.792 53.842 52.037 0.021 0.000 0.631 446 A CB -0.742 18.231 19.000 -0.045 0.000 0.814 446 A HN 0.559 nan 8.150 nan 0.000 0.446 447 A N -0.235 122.614 122.820 0.048 0.000 1.858 447 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 447 A C 2.121 179.741 177.584 0.060 0.000 1.190 447 A CA 1.547 53.646 52.037 0.103 0.000 0.617 447 A CB -0.618 18.364 19.000 -0.030 0.000 0.827 447 A HN 0.475 nan 8.150 nan 0.000 0.443 448 L N -0.638 120.551 121.223 -0.058 0.000 2.313 448 L HA -0.033 4.306 4.340 -0.000 0.000 0.214 448 L C 2.436 179.229 176.870 -0.129 0.000 1.119 448 L CA 1.591 56.372 54.840 -0.098 0.000 0.809 448 L CB -0.272 41.702 42.059 -0.143 0.000 0.933 448 L HN 0.674 nan 8.230 nan 0.000 0.449 449 T N -5.815 108.672 114.554 -0.112 0.000 2.966 449 T HA 0.274 4.623 4.350 -0.000 0.000 0.254 449 T C 1.399 176.022 174.700 -0.128 0.000 0.961 449 T CA 0.519 62.527 62.100 -0.154 0.000 0.915 449 T CB 0.952 69.737 68.868 -0.137 0.000 1.186 449 T HN 0.281 nan 8.240 nan 0.000 0.505 450 G N 1.362 110.134 108.800 -0.045 0.000 2.143 450 G HA2 0.160 4.120 3.960 -0.000 0.000 0.248 450 G HA3 0.160 4.120 3.960 -0.000 0.000 0.248 450 G C 0.186 175.118 174.900 0.053 0.000 0.991 450 G CA -0.060 45.048 45.100 0.013 0.000 0.689 450 G HN 1.412 nan 8.290 nan 0.000 0.522 451 A N -1.422 121.405 122.820 0.012 0.000 2.527 451 A HA 0.914 5.234 4.320 -0.000 0.000 0.293 451 A C 1.027 178.567 177.584 -0.074 0.000 1.117 451 A CA 0.321 52.348 52.037 -0.017 0.000 0.723 451 A CB 1.415 20.406 19.000 -0.014 0.000 1.313 451 A HN 1.513 nan 8.150 nan 0.000 0.411 452 V N -1.895 117.919 119.914 -0.166 0.000 3.650 452 V HA 0.347 4.467 4.120 -0.000 0.000 0.271 452 V C 0.337 176.088 176.094 -0.572 0.000 1.281 452 V CA 0.634 62.724 62.300 -0.349 0.000 1.120 452 V CB -1.109 30.475 31.823 -0.400 0.000 0.856 452 V HN 0.719 nan 8.190 nan 0.000 0.443 453 H N -0.147 118.931 119.070 0.012 0.000 2.894 453 H HA 0.878 5.434 4.556 -0.000 0.000 0.368 453 H C 0.275 175.616 175.328 0.022 0.000 1.181 453 H CA 0.148 56.207 56.048 0.018 0.000 1.146 453 H CB 1.996 31.771 29.762 0.021 0.000 1.839 453 H HN 0.369 nan 8.280 nan 0.000 0.557 454 G N 0.569 109.471 108.800 0.170 0.000 2.334 454 G HA2 0.046 4.006 3.960 -0.000 0.000 0.249 454 G HA3 0.046 4.006 3.960 -0.000 0.000 0.249 454 G C -2.548 172.421 174.900 0.115 0.000 1.327 454 G CA -0.793 44.376 45.100 0.115 0.000 0.979 454 G HN 0.554 nan 8.290 nan 0.000 0.471 455 P HA 0.294 nan 4.420 nan 0.000 0.270 455 P C -0.445 176.942 177.300 0.145 0.000 1.227 455 P CA 0.107 63.300 63.100 0.156 0.000 0.788 455 P CB 0.308 32.153 31.700 0.242 0.000 0.926 456 D N 0.047 120.527 120.400 0.135 0.000 2.531 456 D HA -0.091 4.549 4.640 -0.000 0.000 0.239 456 D C 1.091 177.481 176.300 0.150 0.000 1.144 456 D CA -0.188 53.885 54.000 0.122 0.000 0.869 456 D CB 0.322 41.183 40.800 0.102 0.000 1.160 456 D HN 0.170 nan 8.370 nan 0.000 0.484 457 L N 5.021 126.326 121.223 0.138 0.000 2.109 457 L HA -0.065 4.274 4.340 -0.000 0.000 0.207 457 L C 1.775 178.788 176.870 0.238 0.000 1.086 457 L CA 1.398 56.331 54.840 0.154 0.000 0.760 457 L CB -0.331 41.788 42.059 0.101 0.000 0.910 457 L HN 0.641 nan 8.230 nan 0.000 0.437 458 M N -0.519 119.214 119.600 0.222 0.000 2.086 458 M HA -0.108 4.372 4.480 -0.000 0.000 0.261 458 M C 2.414 178.839 176.300 0.208 0.000 1.067 458 M CA 1.783 57.232 55.300 0.249 0.000 1.116 458 M CB -1.550 31.141 32.600 0.152 0.000 1.348 458 M HN 0.413 nan 8.290 nan 0.000 0.407 459 A N 0.052 122.967 122.820 0.158 0.000 1.902 459 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 459 A C 2.395 180.082 177.584 0.171 0.000 1.181 459 A CA 2.243 54.353 52.037 0.122 0.000 0.623 459 A CB -0.985 18.069 19.000 0.089 0.000 0.818 459 A HN 0.491 nan 8.150 nan 0.000 0.443 460 A N -1.777 121.208 122.820 0.276 0.000 1.933 460 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 460 A C 1.982 179.839 177.584 0.455 0.000 1.175 460 A CA 1.676 53.995 52.037 0.470 0.000 0.628 460 A CB -0.752 18.498 19.000 0.416 0.000 0.814 460 A HN 0.837 nan 8.150 nan 0.000 0.444 461 W N 0.701 122.084 121.300 0.140 0.000 2.409 461 W HA -0.092 4.568 4.660 -0.001 0.000 0.299 461 W C 2.215 178.790 176.519 0.093 0.000 1.203 461 W CA 1.469 58.875 57.345 0.102 0.000 1.298 461 W CB -0.836 28.665 29.460 0.068 0.000 1.127 461 W HN 0.511 nan 8.180 nan 0.000 0.528 462 Q N -0.237 119.668 119.800 0.175 0.000 2.077 462 Q HA -0.253 4.087 4.340 -0.000 0.000 0.206 462 Q C 2.089 178.124 176.000 0.059 0.000 0.989 462 Q CA 2.299 58.117 55.803 0.025 0.000 0.853 462 Q CB -0.511 28.229 28.738 0.003 0.000 0.907 462 Q HN 0.174 nan 8.270 nan 0.000 0.418 463 I N 0.593 121.193 120.570 0.051 0.000 2.099 463 I HA -0.279 3.891 4.170 -0.000 0.000 0.239 463 I C 2.328 178.328 176.117 -0.196 0.000 1.066 463 I CA 1.547 62.800 61.300 -0.079 0.000 1.324 463 I CB -1.316 36.545 38.000 -0.231 0.000 1.037 463 I HN 0.278 nan 8.210 nan 0.000 0.401 464 L N -0.326 120.903 121.223 0.009 0.000 2.083 464 L HA -0.260 4.080 4.340 -0.000 0.000 0.209 464 L C 2.747 179.624 176.870 0.011 0.000 1.083 464 L CA 1.443 56.272 54.840 -0.019 0.000 0.752 464 L CB -0.877 41.292 42.059 0.184 0.000 0.899 464 L HN 0.311 nan 8.230 nan 0.000 0.433 465 H N 0.004 119.104 119.070 0.051 0.000 2.321 465 H HA -0.192 4.364 4.556 -0.000 0.000 0.300 465 H C 2.386 177.670 175.328 -0.074 0.000 1.087 465 H CA 1.850 57.906 56.048 0.013 0.000 1.319 465 H CB 0.113 29.824 29.762 -0.086 0.000 1.379 465 H HN 0.274 nan 8.280 nan 0.000 0.501 466 Q N -0.123 119.633 119.800 -0.073 0.000 2.135 466 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 466 Q C 2.163 177.995 176.000 -0.279 0.000 0.981 466 Q CA 1.537 57.269 55.803 -0.119 0.000 0.856 466 Q CB 0.028 28.764 28.738 -0.003 0.000 0.902 466 Q HN 0.496 nan 8.270 nan 0.000 0.425 467 R N -0.821 119.337 120.500 -0.570 0.000 2.276 467 R HA 0.019 4.358 4.340 -0.000 0.000 0.203 467 R C 1.041 177.148 176.300 -0.323 0.000 1.017 467 R CA 0.629 56.279 56.100 -0.749 0.000 1.010 467 R CB 0.170 29.512 30.300 -1.597 0.000 0.900 467 R HN 0.384 nan 8.270 nan 0.000 0.469 468 G N 0.161 108.848 108.800 -0.187 0.000 2.176 468 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.252 468 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.252 468 G C 0.094 175.133 174.900 0.231 0.000 1.024 468 G CA 0.139 45.223 45.100 -0.028 0.000 0.755 468 G HN 0.368 nan 8.290 nan 0.000 0.507 469 W N 0.789 122.003 121.300 -0.142 0.000 2.812 469 W HA 0.187 4.848 4.660 0.001 0.000 0.263 469 W C 2.060 178.555 176.519 -0.041 0.000 1.284 469 W CA 0.634 57.913 57.345 -0.109 0.000 1.430 469 W CB -0.249 29.108 29.460 -0.172 0.000 1.088 469 W HN 0.480 nan 8.180 nan 0.000 0.623 470 D N 0.213 120.765 120.400 0.253 0.000 2.144 470 D HA -0.233 4.407 4.640 -0.000 0.000 0.199 470 D C 1.593 177.995 176.300 0.169 0.000 0.984 470 D CA 1.468 55.615 54.000 0.245 0.000 0.834 470 D CB -0.741 40.362 40.800 0.506 0.000 0.955 470 D HN 0.166 nan 8.370 nan 0.000 0.465 471 E N 1.184 121.475 120.200 0.153 0.000 2.007 471 E HA -0.124 4.225 4.350 -0.000 0.000 0.194 471 E C -0.589 176.035 176.600 0.041 0.000 0.999 471 E CA 1.531 57.989 56.400 0.097 0.000 0.811 471 E CB -0.941 28.803 29.700 0.073 0.000 0.762 471 E HN 0.268 nan 8.360 nan 0.000 0.450 472 P HA -0.078 nan 4.420 nan 0.000 0.226 472 P C 1.170 178.442 177.300 -0.047 0.000 1.153 472 P CA 0.993 64.065 63.100 -0.047 0.000 0.777 472 P CB -0.192 31.436 31.700 -0.120 0.000 0.794 473 R N -0.526 119.958 120.500 -0.027 0.000 2.093 473 R HA 0.104 4.444 4.340 -0.000 0.000 0.224 473 R C 2.531 178.846 176.300 0.025 0.000 1.101 473 R CA 0.726 56.816 56.100 -0.017 0.000 0.979 473 R CB -0.682 29.604 30.300 -0.024 0.000 0.877 473 R HN 0.209 nan 8.270 nan 0.000 0.441 474 L N 0.113 121.349 121.223 0.022 0.000 2.083 474 L HA -0.132 4.207 4.340 -0.000 0.000 0.209 474 L C 2.621 179.506 176.870 0.024 0.000 1.083 474 L CA 1.270 56.121 54.840 0.018 0.000 0.752 474 L CB -0.483 41.593 42.059 0.027 0.000 0.899 474 L HN 0.216 nan 8.230 nan 0.000 0.433 475 A N -0.039 122.794 122.820 0.022 0.000 1.902 475 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 475 A C 2.530 180.126 177.584 0.021 0.000 1.181 475 A CA 1.679 53.724 52.037 0.014 0.000 0.623 475 A CB -0.728 18.275 19.000 0.004 0.000 0.818 475 A HN 0.387 nan 8.150 nan 0.000 0.443 476 A N -0.229 122.612 122.820 0.035 0.000 1.933 476 A HA 0.177 4.497 4.320 -0.000 0.000 0.218 476 A C 2.472 180.145 177.584 0.148 0.000 1.175 476 A CA 2.059 54.143 52.037 0.079 0.000 0.628 476 A CB -0.893 18.145 19.000 0.063 0.000 0.814 476 A HN 1.001 nan 8.150 nan 0.000 0.444 477 A N -0.594 122.319 122.820 0.154 0.000 1.897 477 A HA 0.067 4.387 4.320 -0.000 0.000 0.215 477 A C 2.099 179.632 177.584 -0.085 0.000 1.181 477 A CA 1.526 53.580 52.037 0.028 0.000 0.620 477 A CB -0.612 18.416 19.000 0.046 0.000 0.821 477 A HN 0.664 nan 8.150 nan 0.000 0.443 478 L N -0.112 121.093 121.223 -0.031 0.000 2.012 478 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 478 L C 2.197 179.046 176.870 -0.035 0.000 1.073 478 L CA 2.660 57.480 54.840 -0.033 0.000 0.748 478 L CB -0.545 41.510 42.059 -0.007 0.000 0.891 478 L HN 0.301 nan 8.230 nan 0.000 0.431 479 K N -0.883 119.508 120.400 -0.016 0.000 2.147 479 K HA -0.215 4.104 4.320 -0.000 0.000 0.205 479 K C 2.192 178.776 176.600 -0.027 0.000 1.049 479 K CA 1.381 57.661 56.287 -0.011 0.000 0.936 479 K CB -0.178 32.326 32.500 0.007 0.000 0.722 479 K HN 0.428 nan 8.250 nan 0.000 0.446 480 Q N -0.302 119.464 119.800 -0.057 0.000 2.083 480 Q HA 0.079 4.418 4.340 -0.000 0.000 0.198 480 Q C 1.735 177.652 176.000 -0.138 0.000 0.969 480 Q CA 1.796 57.529 55.803 -0.116 0.000 0.838 480 Q CB -0.381 28.192 28.738 -0.276 0.000 0.900 480 Q HN 0.306 nan 8.270 nan 0.000 0.436 481 A N -0.153 122.581 122.820 -0.144 0.000 2.070 481 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 481 A C 1.863 179.413 177.584 -0.057 0.000 1.159 481 A CA 1.488 53.457 52.037 -0.113 0.000 0.656 481 A CB -0.340 18.598 19.000 -0.103 0.000 0.800 481 A HN 0.524 nan 8.150 nan 0.000 0.453 482 Q N -1.429 118.346 119.800 -0.041 0.000 2.250 482 Q HA -0.040 4.300 4.340 -0.000 0.000 0.200 482 Q C 1.952 177.946 176.000 -0.010 0.000 0.941 482 Q CA 1.439 57.235 55.803 -0.012 0.000 0.872 482 Q CB -0.016 28.718 28.738 -0.007 0.000 0.965 482 Q HN 0.635 nan 8.270 nan 0.000 0.480 483 T N 0.456 114.995 114.554 -0.025 0.000 2.867 483 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 483 T C 2.053 176.733 174.700 -0.035 0.000 1.057 483 T CA 1.719 63.804 62.100 -0.024 0.000 1.136 483 T CB -0.379 68.475 68.868 -0.024 0.000 0.874 483 T HN 0.510 nan 8.240 nan 0.000 0.466 484 T N -0.322 114.202 114.554 -0.050 0.000 3.055 484 T HA 0.065 4.414 4.350 -0.000 0.000 0.265 484 T C 1.905 176.567 174.700 -0.063 0.000 1.111 484 T CA 0.701 62.763 62.100 -0.063 0.000 1.118 484 T CB -0.231 68.588 68.868 -0.082 0.000 0.909 484 T HN 0.205 nan 8.240 nan 0.000 0.501 485 S N 0.509 116.199 115.700 -0.018 0.000 2.556 485 S HA 0.407 4.876 4.470 -0.000 0.000 0.216 485 S C 1.543 176.193 174.600 0.083 0.000 0.970 485 S CA -0.321 57.909 58.200 0.049 0.000 0.912 485 S CB -0.270 63.026 63.200 0.160 0.000 0.790 485 S HN 0.392 nan 8.310 nan 0.000 0.504 486 L N 1.927 123.157 121.223 0.011 0.000 2.275 486 L HA -0.070 4.270 4.340 -0.000 0.000 0.215 486 L C 2.337 179.197 176.870 -0.016 0.000 1.119 486 L CA 0.825 55.675 54.840 0.017 0.000 0.790 486 L CB -0.362 41.697 42.059 0.001 0.000 0.919 486 L HN 0.365 nan 8.230 nan 0.000 0.443 487 E N -0.695 119.446 120.200 -0.097 0.000 2.455 487 E HA -0.169 4.180 4.350 -0.000 0.000 0.202 487 E C 0.378 176.893 176.600 -0.142 0.000 1.045 487 E CA 0.510 56.832 56.400 -0.130 0.000 0.872 487 E CB -0.600 29.004 29.700 -0.159 0.000 0.792 487 E HN 0.573 nan 8.360 nan 0.000 0.542 488 H N 0.000 119.062 119.070 -0.014 0.000 2.539 488 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 488 H CA 0.000 56.041 56.048 -0.012 0.000 1.023 488 H CB 0.000 29.754 29.762 -0.013 0.000 1.292 488 H HN 0.000 nan 8.280 nan 0.000 0.496