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 3ivi_1_B DATA FIRST_RESID 59 DATA SEQUENCE SFVEMVDNLR GKSGQGYYVE MTVGSPPQTL NILVDTGSSN FAVGAAPHPF DATA SEQUENCE LHRYYQRQLS STYRDLRKGV YVPYTQGKWE GELGTDLVSI PHGPNVTVRA DATA SEQUENCE NIAAITESDK FFINGSNWEG ILGLAYAEIA RPDDSLEPFF DSLVKQTHVP DATA SEQUENCE NLFSLQLcGA GFPLNXXXXX XSVGGSMIIG GIDHSLYTGS LWYTPIRREW DATA SEQUENCE YYEVIIVRVE INGQDLKMDc KEYNYDKSIV DSGTTNLRLP KKVFEAAVKS DATA SEQUENCE IKAASSTEKF PDGFWLGEQL VCWQAGTTPW NIFPVISLYL MGEVTNQSFR DATA SEQUENCE ITILPQQYLR PVEDXXXXXD DCYKFAISQS STGTVMGAVI MEGFYVVFDR DATA SEQUENCE ARKRIGFAVS AcHVHDEFRT AAVEGPFVTL DMEDcGYNI 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 59 S HA 0.000 nan 4.470 nan 0.000 0.327 59 S C 0.000 174.579 174.600 -0.035 0.000 1.055 59 S CA 0.000 58.170 58.200 -0.050 0.000 1.107 59 S CB 0.000 63.225 63.200 0.042 0.000 0.593 60 F N -1.811 118.181 119.950 0.071 0.000 1.676 60 F HA -0.171 4.356 4.527 -0.000 0.000 0.505 60 F C 1.353 177.194 175.800 0.068 0.000 0.497 60 F CA 0.469 58.519 58.000 0.084 0.000 2.263 60 F CB -1.147 37.913 39.000 0.100 0.000 3.120 60 F HN 0.419 nan 8.300 nan 0.000 0.230 61 V N 1.846 121.899 119.914 0.232 0.000 2.594 61 V HA -0.215 3.905 4.120 -0.000 0.000 0.253 61 V C 1.612 177.768 176.094 0.104 0.000 1.069 61 V CA 2.852 65.231 62.300 0.131 0.000 1.082 61 V CB -0.290 31.584 31.823 0.085 0.000 0.680 61 V HN 0.375 nan 8.190 nan 0.000 0.469 62 E N -0.514 119.765 120.200 0.133 0.000 2.338 62 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 62 E C 1.844 178.519 176.600 0.126 0.000 1.007 62 E CA 1.210 57.686 56.400 0.127 0.000 0.849 62 E CB -0.101 29.692 29.700 0.155 0.000 0.774 62 E HN 0.618 nan 8.360 nan 0.000 0.506 63 M N 0.321 119.998 119.600 0.128 0.000 2.382 63 M HA 0.108 4.588 4.480 -0.000 0.000 0.247 63 M C 0.270 176.601 176.300 0.052 0.000 1.104 63 M CA -0.049 55.312 55.300 0.102 0.000 1.030 63 M CB 1.009 33.670 32.600 0.102 0.000 1.424 63 M HN -0.191 nan 8.290 nan 0.000 0.486 64 V N 2.960 122.899 119.914 0.042 0.000 2.585 64 V HA -0.058 4.062 4.120 -0.000 0.000 0.296 64 V C 0.240 176.325 176.094 -0.016 0.000 1.035 64 V CA 0.586 62.894 62.300 0.014 0.000 1.084 64 V CB 0.218 32.050 31.823 0.015 0.000 0.953 64 V HN 0.533 nan 8.190 nan 0.000 0.483 65 D N 2.947 123.338 120.400 -0.016 0.000 2.870 65 D HA -0.166 4.473 4.640 -0.000 0.000 0.228 65 D C 0.930 177.206 176.300 -0.039 0.000 1.147 65 D CA 1.224 55.209 54.000 -0.025 0.000 0.757 65 D CB -1.029 39.753 40.800 -0.031 0.000 1.091 65 D HN 0.924 nan 8.370 nan 0.000 0.429 66 N N 0.157 118.847 118.700 -0.016 0.000 2.398 66 N HA -0.021 4.719 4.740 -0.000 0.000 0.188 66 N C 0.365 175.891 175.510 0.026 0.000 1.122 66 N CA 0.185 53.245 53.050 0.016 0.000 0.866 66 N CB 0.202 38.738 38.487 0.083 0.000 0.970 66 N HN 0.355 nan 8.380 nan 0.000 0.462 67 L N -0.089 121.129 121.223 -0.008 0.000 2.330 67 L HA 0.582 4.922 4.340 -0.000 0.000 0.271 67 L C 0.263 177.071 176.870 -0.105 0.000 1.013 67 L CA -0.885 53.929 54.840 -0.042 0.000 0.816 67 L CB 1.783 43.852 42.059 0.017 0.000 1.287 67 L HN -0.071 nan 8.230 nan 0.000 0.435 68 R N -0.010 120.277 120.500 -0.354 0.000 2.846 68 R HA 0.888 5.228 4.340 -0.000 0.000 0.263 68 R C -0.901 174.988 176.300 -0.685 0.000 1.080 68 R CA -0.833 54.993 56.100 -0.455 0.000 0.961 68 R CB 2.322 32.324 30.300 -0.496 0.000 1.231 68 R HN 0.820 nan 8.270 nan 0.000 0.465 69 G N 0.489 109.033 108.800 -0.427 0.000 2.316 69 G HA2 0.258 4.218 3.960 -0.000 0.000 0.296 69 G HA3 0.258 4.218 3.960 -0.000 0.000 0.296 69 G C -1.897 172.940 174.900 -0.105 0.000 1.399 69 G CA -0.875 44.072 45.100 -0.255 0.000 0.833 69 G HN 0.266 nan 8.290 nan 0.000 0.565 70 K N 0.407 120.788 120.400 -0.031 0.000 2.270 70 K HA 0.617 4.937 4.320 -0.000 0.000 0.255 70 K C 0.349 176.902 176.600 -0.077 0.000 0.936 70 K CA -0.515 55.755 56.287 -0.029 0.000 0.809 70 K CB 1.886 34.396 32.500 0.017 0.000 1.131 70 K HN 0.545 nan 8.250 nan 0.000 0.427 71 S N 1.509 117.169 115.700 -0.067 0.000 2.626 71 S HA 0.066 4.536 4.470 -0.000 0.000 0.303 71 S C 1.134 175.723 174.600 -0.019 0.000 1.256 71 S CA 1.540 59.712 58.200 -0.046 0.000 1.069 71 S CB -0.384 62.813 63.200 -0.005 0.000 0.807 71 S HN 0.885 nan 8.310 nan 0.000 0.500 72 G N 4.101 112.897 108.800 -0.007 0.000 2.155 72 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.257 72 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.257 72 G C 0.228 175.149 174.900 0.034 0.000 0.983 72 G CA 0.683 45.797 45.100 0.022 0.000 0.676 72 G HN 0.781 nan 8.290 nan 0.000 0.528 73 Q N -0.588 119.233 119.800 0.035 0.000 2.110 73 Q HA 0.470 4.810 4.340 -0.000 0.000 0.232 73 Q C 1.058 177.185 176.000 0.212 0.000 0.810 73 Q CA 0.021 55.904 55.803 0.135 0.000 1.083 73 Q CB 1.402 30.213 28.738 0.122 0.000 1.193 73 Q HN 1.680 nan 8.270 nan 0.000 0.471 74 G N 0.992 109.822 108.800 0.049 0.000 2.829 74 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.628 74 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.628 74 G C -1.189 173.649 174.900 -0.104 0.000 1.412 74 G CA -0.804 44.304 45.100 0.014 0.000 0.864 74 G HN 0.202 nan 8.290 nan 0.000 0.544 75 Y N 0.002 120.283 120.300 -0.031 0.000 2.393 75 Y HA 0.662 5.211 4.550 -0.000 0.000 0.341 75 Y C 0.571 176.430 175.900 -0.067 0.000 0.988 75 Y CA -0.376 57.680 58.100 -0.074 0.000 1.078 75 Y CB 1.924 40.331 38.460 -0.088 0.000 1.203 75 Y HN 0.807 nan 8.280 nan 0.000 0.453 76 Y N 0.203 120.553 120.300 0.084 0.000 2.562 76 Y HA 0.850 5.400 4.550 -0.000 0.000 0.343 76 Y C -1.556 174.377 175.900 0.055 0.000 1.025 76 Y CA -1.744 56.367 58.100 0.019 0.000 1.082 76 Y CB 0.975 39.473 38.460 0.063 0.000 1.264 76 Y HN 0.423 nan 8.280 nan 0.000 0.478 77 V N 1.802 121.846 119.914 0.217 0.000 2.769 77 V HA 0.385 4.505 4.120 -0.000 0.000 0.312 77 V C -0.754 175.455 176.094 0.191 0.000 1.061 77 V CA -0.904 61.483 62.300 0.146 0.000 0.931 77 V CB 1.807 33.648 31.823 0.031 0.000 1.010 77 V HN 0.983 nan 8.190 nan 0.000 0.433 78 E N 5.214 125.520 120.200 0.177 0.000 2.289 78 E HA 0.498 4.848 4.350 -0.000 0.000 0.278 78 E C -0.870 175.762 176.600 0.053 0.000 1.032 78 E CA -0.253 56.229 56.400 0.135 0.000 0.854 78 E CB 0.911 30.693 29.700 0.137 0.000 1.046 78 E HN 0.667 nan 8.360 nan 0.000 0.409 79 M N 2.173 121.795 119.600 0.037 0.000 2.631 79 M HA 0.323 4.803 4.480 -0.000 0.000 0.288 79 M C -0.654 175.658 176.300 0.020 0.000 1.260 79 M CA -0.947 54.356 55.300 0.005 0.000 0.842 79 M CB 2.515 35.103 32.600 -0.020 0.000 1.743 79 M HN 0.583 nan 8.290 nan 0.000 0.461 80 T N -0.747 113.818 114.554 0.019 0.000 2.887 80 T HA 0.854 5.204 4.350 -0.000 0.000 0.288 80 T C -0.912 173.807 174.700 0.031 0.000 1.021 80 T CA -0.742 61.371 62.100 0.022 0.000 1.000 80 T CB 1.661 70.540 68.868 0.018 0.000 1.034 80 T HN 0.436 nan 8.240 nan 0.000 0.467 81 V N 1.549 121.466 119.914 0.004 0.000 2.760 81 V HA 0.848 4.968 4.120 -0.000 0.000 0.309 81 V C 0.830 176.950 176.094 0.043 0.000 1.077 81 V CA 0.298 62.573 62.300 -0.040 0.000 0.910 81 V CB 0.945 32.576 31.823 -0.320 0.000 1.008 81 V HN 1.678 nan 8.190 nan 0.000 0.424 82 G N 4.078 112.938 108.800 0.100 0.000 2.760 82 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.246 82 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.246 82 G C -0.417 174.551 174.900 0.114 0.000 1.359 82 G CA -0.229 44.973 45.100 0.169 0.000 0.861 82 G HN 1.157 nan 8.290 nan 0.000 0.541 83 S N 1.788 117.555 115.700 0.110 0.000 2.733 83 S HA 0.665 5.135 4.470 -0.000 0.000 0.294 83 S C -2.623 172.016 174.600 0.064 0.000 1.149 83 S CA -0.687 57.559 58.200 0.075 0.000 1.034 83 S CB 2.521 65.762 63.200 0.069 0.000 1.015 83 S HN 0.710 nan 8.310 nan 0.000 0.486 84 P HA 0.254 nan 4.420 nan 0.000 0.272 84 P C -2.620 174.708 177.300 0.047 0.000 1.223 84 P CA -1.324 61.800 63.100 0.040 0.000 0.784 84 P CB -0.518 31.197 31.700 0.025 0.000 0.923 85 P HA 0.003 nan 4.420 nan 0.000 0.264 85 P C -0.757 176.564 177.300 0.035 0.000 1.193 85 P CA 0.528 63.652 63.100 0.040 0.000 0.763 85 P CB 0.432 32.149 31.700 0.028 0.000 0.810 86 Q N 1.398 121.224 119.800 0.044 0.000 2.348 86 Q HA 0.295 4.634 4.340 -0.000 0.000 0.265 86 Q C -0.233 175.781 176.000 0.023 0.000 0.998 86 Q CA -0.473 55.352 55.803 0.037 0.000 0.831 86 Q CB 1.302 30.086 28.738 0.077 0.000 1.251 86 Q HN 0.361 nan 8.270 nan 0.000 0.456 87 T N 3.826 118.390 114.554 0.016 0.000 2.832 87 T HA 0.479 4.829 4.350 -0.000 0.000 0.296 87 T C -0.186 174.527 174.700 0.023 0.000 0.968 87 T CA -0.087 62.024 62.100 0.019 0.000 1.107 87 T CB 0.255 69.134 68.868 0.018 0.000 0.916 87 T HN 0.333 nan 8.240 nan 0.000 0.517 88 L N 3.134 124.377 121.223 0.032 0.000 2.424 88 L HA 0.501 4.841 4.340 -0.000 0.000 0.258 88 L C -0.390 176.515 176.870 0.059 0.000 0.995 88 L CA -1.264 53.599 54.840 0.038 0.000 0.821 88 L CB 2.084 44.163 42.059 0.035 0.000 1.383 88 L HN 0.419 nan 8.230 nan 0.000 0.410 89 N N 2.457 121.183 118.700 0.044 0.000 2.438 89 N HA 0.552 5.292 4.740 -0.000 0.000 0.282 89 N C -1.102 174.474 175.510 0.110 0.000 1.037 89 N CA -0.314 52.770 53.050 0.056 0.000 0.942 89 N CB 1.900 40.271 38.487 -0.194 0.000 1.136 89 N HN 0.312 nan 8.380 nan 0.000 0.481 90 I N 2.545 123.202 120.570 0.145 0.000 2.447 90 I HA 0.262 4.432 4.170 -0.000 0.000 0.287 90 I C 0.227 176.342 176.117 -0.002 0.000 1.023 90 I CA -0.740 60.611 61.300 0.085 0.000 1.083 90 I CB 1.613 39.666 38.000 0.090 0.000 1.245 90 I HN 0.317 nan 8.210 nan 0.000 0.434 91 L N 6.773 127.841 121.223 -0.259 0.000 2.499 91 L HA 0.161 4.501 4.340 -0.000 0.000 0.273 91 L C -0.323 176.406 176.870 -0.234 0.000 1.195 91 L CA 0.137 54.720 54.840 -0.429 0.000 0.882 91 L CB 0.779 42.209 42.059 -1.048 0.000 1.133 91 L HN 0.340 nan 8.230 nan 0.000 0.483 92 V N 4.850 124.669 119.914 -0.158 0.000 2.385 92 V HA 0.234 4.354 4.120 -0.000 0.000 0.269 92 V C -0.461 175.546 176.094 -0.146 0.000 1.043 92 V CA -0.231 61.974 62.300 -0.158 0.000 0.906 92 V CB 1.201 32.943 31.823 -0.135 0.000 0.995 92 V HN 0.716 nan 8.190 nan 0.000 0.467 93 D N 3.123 123.437 120.400 -0.143 0.000 2.421 93 D HA 0.238 4.878 4.640 -0.000 0.000 0.254 93 D C 0.998 177.267 176.300 -0.052 0.000 1.238 93 D CA -0.229 53.724 54.000 -0.078 0.000 0.919 93 D CB 1.841 42.617 40.800 -0.040 0.000 1.152 93 D HN 0.568 nan 8.370 nan 0.000 0.552 94 T N -0.090 114.436 114.554 -0.047 0.000 3.148 94 T HA 0.173 4.523 4.350 -0.000 0.000 0.253 94 T C 1.459 176.293 174.700 0.223 0.000 1.134 94 T CA 0.253 62.383 62.100 0.049 0.000 1.051 94 T CB 0.200 68.974 68.868 -0.157 0.000 0.959 94 T HN 0.293 nan 8.240 nan 0.000 0.525 95 G N 0.836 109.733 108.800 0.163 0.000 3.189 95 G HA2 0.430 4.390 3.960 -0.000 0.000 0.225 95 G HA3 0.430 4.390 3.960 -0.000 0.000 0.225 95 G C 0.315 175.358 174.900 0.237 0.000 1.159 95 G CA 0.132 45.362 45.100 0.216 0.000 0.763 95 G HN 0.774 nan 8.290 nan 0.000 0.549 96 S N -1.923 113.883 115.700 0.178 0.000 2.671 96 S HA 0.638 5.108 4.470 -0.000 0.000 0.277 96 S C -0.089 174.568 174.600 0.095 0.000 1.165 96 S CA -0.245 58.053 58.200 0.163 0.000 0.822 96 S CB 1.778 65.170 63.200 0.320 0.000 1.150 96 S HN -0.062 nan 8.310 nan 0.000 0.479 97 S N 0.223 115.972 115.700 0.081 0.000 2.900 97 S HA 0.381 4.851 4.470 -0.000 0.000 0.253 97 S C -0.566 174.114 174.600 0.134 0.000 1.029 97 S CA -0.474 57.769 58.200 0.072 0.000 1.096 97 S CB -0.416 62.798 63.200 0.024 0.000 1.067 97 S HN 0.688 nan 8.310 nan 0.000 0.610 98 N N 1.308 120.126 118.700 0.195 0.000 2.399 98 N HA 0.453 5.193 4.740 -0.000 0.000 0.295 98 N C -1.318 174.396 175.510 0.340 0.000 1.048 98 N CA -0.445 52.767 53.050 0.269 0.000 0.886 98 N CB 1.116 39.801 38.487 0.330 0.000 1.185 98 N HN 0.292 nan 8.380 nan 0.000 0.487 99 F N 2.282 122.309 119.950 0.128 0.000 2.404 99 F HA 0.659 5.186 4.527 -0.000 0.000 0.358 99 F C -0.407 175.402 175.800 0.016 0.000 1.120 99 F CA -0.655 57.375 58.000 0.051 0.000 1.144 99 F CB 0.402 39.433 39.000 0.052 0.000 1.133 99 F HN 0.448 nan 8.300 nan 0.000 0.495 100 A N 6.085 128.779 122.820 -0.210 0.000 2.486 100 A HA 0.702 5.022 4.320 -0.000 0.000 0.300 100 A C -1.486 175.817 177.584 -0.470 0.000 1.048 100 A CA -0.531 51.200 52.037 -0.510 0.000 0.696 100 A CB 1.607 20.118 19.000 -0.814 0.000 1.278 100 A HN 0.936 nan 8.150 nan 0.000 0.405 101 V N -0.430 119.220 119.914 -0.440 0.000 2.962 101 V HA 0.947 5.067 4.120 -0.000 0.000 0.313 101 V C 0.426 176.510 176.094 -0.017 0.000 1.099 101 V CA -0.287 61.909 62.300 -0.174 0.000 0.971 101 V CB 1.382 33.067 31.823 -0.230 0.000 1.028 101 V HN 1.726 nan 8.190 nan 0.000 0.430 102 G N 1.293 110.189 108.800 0.160 0.000 2.313 102 G HA2 0.515 4.475 3.960 -0.000 0.000 0.250 102 G HA3 0.515 4.475 3.960 -0.000 0.000 0.250 102 G C 0.505 175.473 174.900 0.114 0.000 1.281 102 G CA 0.185 45.368 45.100 0.138 0.000 0.917 102 G HN 1.887 nan 8.290 nan 0.000 0.501 103 A N 1.531 124.376 122.820 0.041 0.000 2.603 103 A HA 0.785 5.105 4.320 -0.000 0.000 0.277 103 A C 0.771 178.249 177.584 -0.177 0.000 1.158 103 A CA 0.750 52.817 52.037 0.051 0.000 0.962 103 A CB 0.195 19.196 19.000 0.002 0.000 1.189 103 A HN 1.777 nan 8.150 nan 0.000 0.552 104 A N 0.038 122.584 122.820 -0.457 0.000 2.594 104 A HA 0.750 5.070 4.320 -0.000 0.000 0.295 104 A C -3.275 173.806 177.584 -0.837 0.000 1.071 104 A CA -1.485 50.126 52.037 -0.711 0.000 0.685 104 A CB 0.540 19.369 19.000 -0.286 0.000 1.285 104 A HN 0.012 nan 8.150 nan 0.000 0.405 105 P HA 0.231 nan 4.420 nan 0.000 0.265 105 P C -0.792 176.402 177.300 -0.177 0.000 1.187 105 P CA 0.641 63.502 63.100 -0.398 0.000 0.766 105 P CB 0.188 31.762 31.700 -0.209 0.000 0.820 106 H N 2.940 121.875 119.070 -0.225 0.000 2.974 106 H HA 0.222 4.778 4.556 -0.000 0.000 0.366 106 H C -2.068 173.155 175.328 -0.176 0.000 1.155 106 H CA -1.852 54.075 56.048 -0.201 0.000 1.186 106 H CB 2.173 31.797 29.762 -0.231 0.000 1.799 106 H HN 0.152 nan 8.280 nan 0.000 0.541 107 P HA -0.033 nan 4.420 nan 0.000 0.221 107 P C 0.681 178.086 177.300 0.175 0.000 1.145 107 P CA 1.263 64.244 63.100 -0.197 0.000 0.795 107 P CB -0.003 31.441 31.700 -0.428 0.000 0.775 108 F N -2.130 117.922 119.950 0.169 0.000 2.678 108 F HA 0.223 4.750 4.527 -0.000 0.000 0.305 108 F C 0.785 176.447 175.800 -0.230 0.000 1.090 108 F CA -0.660 57.345 58.000 0.009 0.000 1.272 108 F CB 0.401 39.426 39.000 0.042 0.000 1.060 108 F HN -0.239 nan 8.300 nan 0.000 0.576 109 L N 0.263 121.451 121.223 -0.058 0.000 2.272 109 L HA 0.279 4.619 4.340 -0.000 0.000 0.289 109 L C 0.859 177.697 176.870 -0.052 0.000 1.032 109 L CA -0.397 54.288 54.840 -0.258 0.000 0.810 109 L CB 1.267 43.117 42.059 -0.348 0.000 1.205 109 L HN 0.195 nan 8.230 nan 0.000 0.422 110 H N 2.807 121.835 119.070 -0.070 0.000 2.436 110 H HA 0.038 4.594 4.556 -0.000 0.000 0.294 110 H C 0.433 175.749 175.328 -0.020 0.000 1.048 110 H CA 0.316 56.340 56.048 -0.040 0.000 1.353 110 H CB 0.295 30.021 29.762 -0.060 0.000 1.414 110 H HN 0.502 nan 8.280 nan 0.000 0.536 111 R N -0.455 120.094 120.500 0.081 0.000 2.747 111 R HA 0.316 4.656 4.340 -0.000 0.000 0.272 111 R C -2.012 174.342 176.300 0.089 0.000 1.032 111 R CA -1.026 55.093 56.100 0.033 0.000 0.896 111 R CB 1.512 31.800 30.300 -0.021 0.000 1.253 111 R HN 0.125 nan 8.270 nan 0.000 0.461 112 Y N -2.269 118.012 120.300 -0.032 0.000 2.624 112 Y HA 0.448 4.998 4.550 -0.000 0.000 0.334 112 Y C -1.665 174.260 175.900 0.043 0.000 1.155 112 Y CA -1.648 56.439 58.100 -0.021 0.000 1.046 112 Y CB 0.662 39.086 38.460 -0.060 0.000 1.316 112 Y HN 0.590 nan 8.280 nan 0.000 0.457 113 Y N 3.198 123.549 120.300 0.085 0.000 2.713 113 Y HA 0.241 4.791 4.550 -0.000 0.000 0.341 113 Y C -0.413 175.506 175.900 0.032 0.000 1.167 113 Y CA -0.302 57.796 58.100 -0.003 0.000 1.503 113 Y CB 0.552 38.989 38.460 -0.038 0.000 1.199 113 Y HN 0.713 nan 8.280 nan 0.000 0.525 114 Q N 7.156 126.846 119.800 -0.184 0.000 2.509 114 Q HA 0.253 4.593 4.340 -0.000 0.000 0.230 114 Q C 0.982 176.688 176.000 -0.491 0.000 1.089 114 Q CA -0.384 55.252 55.803 -0.279 0.000 0.901 114 Q CB 0.849 29.464 28.738 -0.205 0.000 1.208 114 Q HN 0.781 nan 8.270 nan 0.000 0.529 115 R N 1.116 121.121 120.500 -0.826 0.000 2.127 115 R HA -0.201 4.139 4.340 -0.000 0.000 0.238 115 R C 2.127 178.154 176.300 -0.456 0.000 1.134 115 R CA 1.409 56.927 56.100 -0.970 0.000 0.975 115 R CB 0.085 29.550 30.300 -1.391 0.000 0.865 115 R HN 0.614 nan 8.270 nan 0.000 0.447 116 Q N 0.924 120.552 119.800 -0.288 0.000 2.291 116 Q HA -0.148 4.192 4.340 -0.000 0.000 0.206 116 Q C 1.518 177.477 176.000 -0.068 0.000 0.976 116 Q CA 1.437 57.166 55.803 -0.122 0.000 0.875 116 Q CB -0.113 28.571 28.738 -0.089 0.000 0.927 116 Q HN 0.436 nan 8.270 nan 0.000 0.450 117 L N 1.015 122.186 121.223 -0.086 0.000 2.592 117 L HA 0.219 4.559 4.340 -0.000 0.000 0.227 117 L C 0.835 177.710 176.870 0.008 0.000 1.127 117 L CA -0.145 54.673 54.840 -0.036 0.000 0.884 117 L CB 0.399 42.429 42.059 -0.047 0.000 1.065 117 L HN 0.012 nan 8.230 nan 0.000 0.457 118 S N -0.539 115.177 115.700 0.027 0.000 2.438 118 S HA 0.170 4.640 4.470 -0.000 0.000 0.316 118 S C 1.231 175.908 174.600 0.129 0.000 1.084 118 S CA -0.496 57.767 58.200 0.106 0.000 1.107 118 S CB 1.262 64.579 63.200 0.195 0.000 0.981 118 S HN 0.311 nan 8.310 nan 0.000 0.466 119 S N 3.066 118.826 115.700 0.099 0.000 2.474 119 S HA -0.098 4.372 4.470 -0.000 0.000 0.235 119 S C 1.456 176.116 174.600 0.101 0.000 0.997 119 S CA 1.216 59.468 58.200 0.087 0.000 0.949 119 S CB -0.752 62.484 63.200 0.060 0.000 0.766 119 S HN 0.866 nan 8.310 nan 0.000 0.517 120 T N -2.376 112.255 114.554 0.127 0.000 3.069 120 T HA 0.236 4.586 4.350 -0.000 0.000 0.252 120 T C 0.196 174.993 174.700 0.162 0.000 1.053 120 T CA -0.651 61.520 62.100 0.118 0.000 0.964 120 T CB -0.657 68.274 68.868 0.105 0.000 1.005 120 T HN 0.431 nan 8.240 nan 0.000 0.532 121 Y N 2.968 123.321 120.300 0.089 0.000 2.411 121 Y HA 0.471 5.021 4.550 -0.000 0.000 0.333 121 Y C 0.054 175.997 175.900 0.071 0.000 1.186 121 Y CA -1.142 57.022 58.100 0.106 0.000 1.381 121 Y CB 0.522 39.040 38.460 0.097 0.000 1.273 121 Y HN 0.039 nan 8.280 nan 0.000 0.546 122 R N 4.639 124.668 120.500 -0.786 0.000 2.502 122 R HA 0.153 4.493 4.340 -0.000 0.000 0.298 122 R C -1.627 174.152 176.300 -0.868 0.000 1.018 122 R CA -1.017 54.679 56.100 -0.674 0.000 0.899 122 R CB 1.187 31.332 30.300 -0.258 0.000 1.181 122 R HN 0.673 nan 8.270 nan 0.000 0.444 123 D N 2.769 122.729 120.400 -0.733 0.000 2.390 123 D HA 0.045 4.685 4.640 -0.000 0.000 0.249 123 D C 0.594 176.816 176.300 -0.129 0.000 1.144 123 D CA 0.048 53.867 54.000 -0.302 0.000 0.880 123 D CB 1.132 41.894 40.800 -0.063 0.000 1.182 123 D HN 0.482 nan 8.370 nan 0.000 0.451 124 L N 3.481 124.683 121.223 -0.034 0.000 2.607 124 L HA 0.213 4.553 4.340 -0.000 0.000 0.228 124 L C 0.714 177.595 176.870 0.018 0.000 1.123 124 L CA -0.156 54.682 54.840 -0.004 0.000 0.890 124 L CB -0.086 41.987 42.059 0.025 0.000 1.103 124 L HN 0.466 nan 8.230 nan 0.000 0.468 125 R N 1.229 121.747 120.500 0.029 0.000 3.158 125 R HA -0.203 4.137 4.340 -0.000 0.000 0.244 125 R C -0.140 176.185 176.300 0.041 0.000 0.900 125 R CA 0.705 56.827 56.100 0.037 0.000 0.618 125 R CB -1.477 28.836 30.300 0.022 0.000 1.061 125 R HN 0.241 nan 8.270 nan 0.000 0.471 126 K N -0.155 120.278 120.400 0.056 0.000 2.557 126 K HA 0.384 4.704 4.320 -0.000 0.000 0.257 126 K C -0.157 176.490 176.600 0.078 0.000 0.933 126 K CA -0.111 56.211 56.287 0.058 0.000 0.820 126 K CB 1.908 34.438 32.500 0.050 0.000 1.330 126 K HN 0.193 nan 8.250 nan 0.000 0.432 127 G N 1.112 109.960 108.800 0.081 0.000 2.528 127 G HA2 0.623 4.583 3.960 -0.000 0.000 0.289 127 G HA3 0.623 4.583 3.960 -0.000 0.000 0.289 127 G C -1.170 173.801 174.900 0.119 0.000 1.192 127 G CA -0.430 44.733 45.100 0.105 0.000 0.921 127 G HN 0.387 nan 8.290 nan 0.000 0.512 128 V N 0.219 120.231 119.914 0.163 0.000 3.167 128 V HA 0.745 4.865 4.120 -0.000 0.000 0.293 128 V C -1.952 174.258 176.094 0.194 0.000 1.379 128 V CA -0.863 61.523 62.300 0.143 0.000 1.019 128 V CB 1.897 33.822 31.823 0.170 0.000 1.115 128 V HN 1.288 nan 8.190 nan 0.000 0.442 129 Y N 3.307 123.520 120.300 -0.145 0.000 2.581 129 Y HA 0.894 5.444 4.550 -0.000 0.000 0.337 129 Y C -1.852 173.630 175.900 -0.697 0.000 1.108 129 Y CA -1.165 56.692 58.100 -0.406 0.000 1.033 129 Y CB 1.968 40.281 38.460 -0.246 0.000 1.318 129 Y HN 0.426 nan 8.280 nan 0.000 0.459 130 V N 3.885 123.117 119.914 -1.138 0.000 2.525 130 V HA 0.568 4.687 4.120 -0.000 0.000 0.299 130 V C -2.700 172.867 176.094 -0.879 0.000 1.034 130 V CA -1.685 59.925 62.300 -1.150 0.000 0.863 130 V CB 2.234 33.199 31.823 -1.429 0.000 0.999 130 V HN 0.704 nan 8.190 nan 0.000 0.423 131 P HA 0.482 nan 4.420 nan 0.000 0.300 131 P C -1.240 175.846 177.300 -0.356 0.000 1.375 131 P CA -0.357 62.563 63.100 -0.300 0.000 0.864 131 P CB 0.877 32.527 31.700 -0.083 0.000 0.958 132 Y N 0.612 120.880 120.300 -0.052 0.000 2.576 132 Y HA 0.189 4.739 4.550 -0.000 0.000 0.406 132 Y C 2.557 178.468 175.900 0.019 0.000 1.381 132 Y CA -0.129 57.976 58.100 0.009 0.000 1.763 132 Y CB -0.827 37.680 38.460 0.079 0.000 1.736 132 Y HN 0.174 nan 8.280 nan 0.000 0.634 133 T N -0.082 114.605 114.554 0.222 0.000 2.665 133 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 133 T C 1.194 175.954 174.700 0.099 0.000 1.035 133 T CA 2.355 64.522 62.100 0.111 0.000 1.151 133 T CB -0.283 68.634 68.868 0.082 0.000 0.862 133 T HN 0.704 nan 8.240 nan 0.000 0.438 134 Q N -0.627 119.252 119.800 0.133 0.000 2.237 134 Q HA 0.353 4.693 4.340 -0.000 0.000 0.254 134 Q C 1.004 177.096 176.000 0.152 0.000 0.771 134 Q CA 0.077 55.948 55.803 0.114 0.000 0.958 134 Q CB -0.007 28.784 28.738 0.088 0.000 1.202 134 Q HN 0.316 nan 8.270 nan 0.000 0.492 135 G N 1.189 110.127 108.800 0.228 0.000 2.476 135 G HA2 0.583 4.543 3.960 -0.000 0.000 0.286 135 G HA3 0.583 4.543 3.960 -0.000 0.000 0.286 135 G C -1.048 174.049 174.900 0.328 0.000 1.177 135 G CA -0.504 44.779 45.100 0.305 0.000 0.870 135 G HN 0.255 nan 8.290 nan 0.000 0.528 136 K N -0.431 120.111 120.400 0.236 0.000 2.568 136 K HA 0.563 4.883 4.320 -0.000 0.000 0.273 136 K C -1.309 175.281 176.600 -0.017 0.000 0.951 136 K CA -1.147 55.151 56.287 0.017 0.000 0.854 136 K CB 1.956 34.439 32.500 -0.029 0.000 1.424 136 K HN 0.797 nan 8.250 nan 0.000 0.427 137 W N 0.865 122.082 121.300 -0.139 0.000 3.118 137 W HA 0.540 5.200 4.660 -0.000 0.000 0.328 137 W C -1.392 175.092 176.519 -0.060 0.000 1.239 137 W CA -0.732 56.502 57.345 -0.185 0.000 1.176 137 W CB 1.145 30.324 29.460 -0.469 0.000 1.433 137 W HN 0.899 nan 8.180 nan 0.000 0.562 138 E N 1.332 121.778 120.200 0.409 0.000 2.359 138 E HA 0.888 5.238 4.350 -0.000 0.000 0.266 138 E C -0.425 176.433 176.600 0.429 0.000 0.920 138 E CA -0.927 55.700 56.400 0.378 0.000 0.788 138 E CB 2.728 32.527 29.700 0.165 0.000 1.279 138 E HN 0.781 nan 8.360 nan 0.000 0.438 139 G N 0.526 109.542 108.800 0.360 0.000 2.490 139 G HA2 0.327 4.287 3.960 -0.000 0.000 0.308 139 G HA3 0.327 4.287 3.960 -0.000 0.000 0.308 139 G C -1.638 173.370 174.900 0.179 0.000 1.286 139 G CA -0.856 44.378 45.100 0.224 0.000 0.825 139 G HN 0.510 nan 8.290 nan 0.000 0.479 140 E N 0.144 120.421 120.200 0.129 0.000 2.176 140 E HA 0.497 4.847 4.350 -0.000 0.000 0.267 140 E C -0.540 176.148 176.600 0.146 0.000 0.893 140 E CA -0.576 55.900 56.400 0.128 0.000 0.761 140 E CB 2.614 32.378 29.700 0.107 0.000 1.133 140 E HN 0.298 nan 8.360 nan 0.000 0.409 141 L N 2.072 123.382 121.223 0.145 0.000 2.417 141 L HA 0.640 4.980 4.340 -0.000 0.000 0.268 141 L C 0.697 177.666 176.870 0.164 0.000 1.158 141 L CA 0.019 54.946 54.840 0.145 0.000 0.819 141 L CB 0.905 43.034 42.059 0.116 0.000 1.112 141 L HN 0.742 nan 8.230 nan 0.000 0.458 142 G N 0.109 109.016 108.800 0.179 0.000 2.495 142 G HA2 0.517 4.477 3.960 -0.000 0.000 0.294 142 G HA3 0.517 4.477 3.960 -0.000 0.000 0.294 142 G C -1.309 173.682 174.900 0.152 0.000 1.397 142 G CA -0.228 44.964 45.100 0.152 0.000 0.790 142 G HN 0.570 nan 8.290 nan 0.000 0.486 143 T N -1.598 113.004 114.554 0.081 0.000 2.893 143 T HA 0.768 5.118 4.350 -0.000 0.000 0.291 143 T C -1.433 173.366 174.700 0.165 0.000 1.028 143 T CA -0.659 61.511 62.100 0.117 0.000 0.995 143 T CB 2.818 71.721 68.868 0.058 0.000 1.051 143 T HN 0.577 nan 8.240 nan 0.000 0.470 144 D N 0.585 121.101 120.400 0.193 0.000 2.615 144 D HA 0.383 5.023 4.640 -0.000 0.000 0.267 144 D C -0.729 175.664 176.300 0.155 0.000 1.236 144 D CA -0.685 53.438 54.000 0.204 0.000 0.839 144 D CB 2.046 43.023 40.800 0.295 0.000 1.380 144 D HN 0.654 nan 8.370 nan 0.000 0.433 145 L N 0.875 122.177 121.223 0.132 0.000 2.380 145 L HA 0.496 4.836 4.340 -0.000 0.000 0.273 145 L C -0.209 176.734 176.870 0.120 0.000 1.138 145 L CA -0.543 54.361 54.840 0.107 0.000 0.832 145 L CB 1.038 43.147 42.059 0.082 0.000 1.124 145 L HN 0.066 nan 8.230 nan 0.000 0.454 146 V N 1.948 121.944 119.914 0.137 0.000 2.686 146 V HA 0.497 4.617 4.120 -0.000 0.000 0.306 146 V C -0.324 175.850 176.094 0.134 0.000 1.065 146 V CA -0.448 61.951 62.300 0.165 0.000 0.894 146 V CB 2.065 34.068 31.823 0.298 0.000 1.004 146 V HN 0.857 nan 8.190 nan 0.000 0.424 147 S N 3.997 119.749 115.700 0.086 0.000 2.671 147 S HA 0.766 5.236 4.470 -0.000 0.000 0.299 147 S C -0.725 173.892 174.600 0.029 0.000 1.116 147 S CA -0.649 57.589 58.200 0.062 0.000 0.912 147 S CB 2.043 65.264 63.200 0.036 0.000 1.130 147 S HN 0.570 nan 8.310 nan 0.000 0.501 148 I N 2.303 122.888 120.570 0.026 0.000 2.495 148 I HA 0.266 4.436 4.170 -0.000 0.000 0.277 148 I C -2.149 173.961 176.117 -0.010 0.000 1.045 148 I CA -2.107 59.195 61.300 0.003 0.000 1.135 148 I CB 1.814 39.828 38.000 0.022 0.000 1.241 148 I HN 0.368 nan 8.210 nan 0.000 0.469 149 P HA -0.190 nan 4.420 nan 0.000 0.216 149 P C 0.459 177.635 177.300 -0.207 0.000 1.154 149 P CA 1.599 64.588 63.100 -0.185 0.000 0.865 149 P CB 0.046 31.552 31.700 -0.323 0.000 0.789 150 H N -0.934 118.167 119.070 0.051 0.000 2.423 150 H HA 0.576 5.132 4.556 -0.000 0.000 0.227 150 H C 0.976 176.340 175.328 0.059 0.000 1.596 150 H CA 0.021 56.102 56.048 0.055 0.000 1.207 150 H CB -0.235 29.558 29.762 0.051 0.000 1.595 150 H HN 0.110 nan 8.280 nan 0.000 0.534 151 G N 0.794 109.679 108.800 0.142 0.000 2.846 151 G HA2 0.318 4.278 3.960 -0.000 0.000 0.299 151 G HA3 0.318 4.278 3.960 -0.000 0.000 0.299 151 G C -2.747 172.229 174.900 0.125 0.000 1.242 151 G CA -1.103 44.070 45.100 0.123 0.000 0.800 151 G HN -0.006 nan 8.290 nan 0.000 0.538 152 P HA 0.165 nan 4.420 nan 0.000 0.272 152 P C -0.624 176.726 177.300 0.083 0.000 1.230 152 P CA -0.376 62.796 63.100 0.119 0.000 0.788 152 P CB 0.750 32.515 31.700 0.108 0.000 0.949 153 N N 0.918 119.662 118.700 0.073 0.000 3.303 153 N HA 0.203 4.943 4.740 -0.000 0.000 0.304 153 N C -0.614 174.919 175.510 0.038 0.000 1.302 153 N CA -0.226 52.854 53.050 0.051 0.000 1.213 153 N CB -0.982 37.532 38.487 0.045 0.000 1.481 153 N HN 0.235 nan 8.380 nan 0.000 0.546 154 V N -2.270 117.666 119.914 0.036 0.000 3.181 154 V HA 0.735 4.854 4.120 -0.000 0.000 0.308 154 V C -0.161 175.946 176.094 0.023 0.000 1.214 154 V CA -0.683 61.631 62.300 0.023 0.000 1.053 154 V CB 1.898 33.727 31.823 0.010 0.000 1.069 154 V HN 0.037 nan 8.190 nan 0.000 0.441 155 T N 1.737 116.299 114.554 0.014 0.000 2.886 155 T HA 0.778 5.128 4.350 -0.000 0.000 0.292 155 T C -0.741 173.957 174.700 -0.004 0.000 1.012 155 T CA -0.207 61.905 62.100 0.021 0.000 0.982 155 T CB 1.466 70.351 68.868 0.029 0.000 1.018 155 T HN 1.720 nan 8.240 nan 0.000 0.451 156 V N 1.395 121.306 119.914 -0.006 0.000 2.925 156 V HA 0.721 4.841 4.120 -0.000 0.000 0.311 156 V C -0.455 175.638 176.094 -0.002 0.000 1.104 156 V CA -1.499 60.770 62.300 -0.050 0.000 0.954 156 V CB 1.909 33.625 31.823 -0.178 0.000 1.022 156 V HN 0.854 nan 8.190 nan 0.000 0.427 157 R N 2.671 123.167 120.500 -0.006 0.000 2.248 157 R HA 0.751 5.091 4.340 -0.000 0.000 0.328 157 R C -0.143 176.176 176.300 0.031 0.000 1.067 157 R CA 0.547 56.666 56.100 0.033 0.000 0.924 157 R CB 0.546 30.859 30.300 0.023 0.000 1.013 157 R HN 1.267 nan 8.270 nan 0.000 0.454 158 A N 4.159 127.044 122.820 0.109 0.000 2.430 158 A HA 0.388 4.708 4.320 -0.000 0.000 0.300 158 A C -0.946 176.768 177.584 0.218 0.000 1.124 158 A CA -1.065 51.066 52.037 0.157 0.000 0.766 158 A CB 1.228 20.400 19.000 0.286 0.000 1.328 158 A HN 0.894 nan 8.150 nan 0.000 0.424 159 N N -0.334 118.498 118.700 0.220 0.000 2.518 159 N HA 0.496 5.236 4.740 -0.000 0.000 0.266 159 N C -1.013 174.659 175.510 0.270 0.000 1.196 159 N CA 0.484 53.658 53.050 0.207 0.000 0.947 159 N CB 0.585 39.174 38.487 0.169 0.000 1.098 159 N HN 0.491 nan 8.380 nan 0.000 0.450 160 I N 1.114 121.778 120.570 0.156 0.000 2.534 160 I HA 0.315 4.485 4.170 -0.000 0.000 0.286 160 I C -0.712 175.407 176.117 0.003 0.000 1.094 160 I CA -0.910 60.380 61.300 -0.015 0.000 1.055 160 I CB 1.850 39.797 38.000 -0.087 0.000 1.225 160 I HN 0.476 nan 8.210 nan 0.000 0.435 161 A N 5.025 127.798 122.820 -0.080 0.000 2.347 161 A HA 0.727 5.047 4.320 -0.000 0.000 0.287 161 A C 0.419 177.893 177.584 -0.183 0.000 1.199 161 A CA -0.321 51.680 52.037 -0.061 0.000 0.851 161 A CB 0.403 19.384 19.000 -0.031 0.000 1.118 161 A HN 0.816 nan 8.150 nan 0.000 0.525 162 A N 4.126 126.928 122.820 -0.029 0.000 2.343 162 A HA 0.523 4.843 4.320 -0.000 0.000 0.305 162 A C 0.122 177.666 177.584 -0.067 0.000 1.308 162 A CA -0.340 51.691 52.037 -0.010 0.000 0.949 162 A CB -0.459 18.568 19.000 0.046 0.000 1.148 162 A HN 0.770 nan 8.150 nan 0.000 0.545 163 I N 3.469 123.945 120.570 -0.157 0.000 2.505 163 I HA 0.039 4.209 4.170 -0.000 0.000 0.287 163 I C 1.615 177.742 176.117 0.018 0.000 1.104 163 I CA 0.349 61.584 61.300 -0.108 0.000 1.387 163 I CB 0.985 38.868 38.000 -0.195 0.000 1.404 163 I HN 0.846 nan 8.210 nan 0.000 0.528 164 T N 1.212 115.801 114.554 0.058 0.000 3.023 164 T HA 0.266 4.616 4.350 -0.000 0.000 0.249 164 T C 0.587 175.334 174.700 0.079 0.000 1.050 164 T CA -0.002 62.121 62.100 0.039 0.000 1.088 164 T CB 0.353 69.239 68.868 0.031 0.000 0.946 164 T HN 0.533 nan 8.240 nan 0.000 0.480 165 E N 0.825 121.104 120.200 0.131 0.000 2.356 165 E HA 0.586 4.936 4.350 -0.000 0.000 0.275 165 E C -1.382 175.336 176.600 0.196 0.000 0.904 165 E CA -0.700 55.788 56.400 0.146 0.000 0.757 165 E CB 2.527 32.284 29.700 0.095 0.000 1.232 165 E HN 0.426 nan 8.360 nan 0.000 0.442 166 S N 1.208 117.037 115.700 0.215 0.000 2.596 166 S HA 0.604 5.073 4.470 -0.000 0.000 0.270 166 S C -1.615 173.107 174.600 0.202 0.000 1.155 166 S CA -0.993 57.329 58.200 0.203 0.000 0.827 166 S CB 2.241 65.537 63.200 0.160 0.000 1.130 166 S HN 0.458 nan 8.310 nan 0.000 0.467 167 D N 0.042 120.552 120.400 0.185 0.000 2.736 167 D HA 0.443 5.083 4.640 -0.000 0.000 0.243 167 D C -0.992 175.429 176.300 0.202 0.000 1.304 167 D CA -0.405 53.699 54.000 0.172 0.000 0.934 167 D CB 0.904 41.770 40.800 0.111 0.000 1.382 167 D HN 0.732 nan 8.370 nan 0.000 0.571 168 K N 2.024 122.552 120.400 0.214 0.000 3.069 168 K HA -0.261 4.059 4.320 -0.000 0.000 0.267 168 K C 0.025 176.767 176.600 0.236 0.000 1.082 168 K CA 0.656 57.069 56.287 0.211 0.000 0.782 168 K CB -1.234 31.365 32.500 0.165 0.000 1.230 168 K HN 0.455 nan 8.250 nan 0.000 0.488 169 F N 0.158 120.137 119.950 0.048 0.000 2.389 169 F HA 0.278 4.805 4.527 -0.000 0.000 0.275 169 F C 0.627 176.401 175.800 -0.044 0.000 1.009 169 F CA -0.035 57.944 58.000 -0.035 0.000 1.187 169 F CB 0.283 39.184 39.000 -0.165 0.000 1.139 169 F HN -0.062 nan 8.300 nan 0.000 0.613 170 F N 2.245 122.164 119.950 -0.051 0.000 2.529 170 F HA 0.238 4.765 4.527 -0.000 0.000 0.365 170 F C 0.074 175.784 175.800 -0.150 0.000 1.102 170 F CA -0.050 57.744 58.000 -0.343 0.000 1.271 170 F CB 0.164 38.959 39.000 -0.341 0.000 1.120 170 F HN -0.209 nan 8.300 nan 0.000 0.579 171 I N 2.534 122.930 120.570 -0.289 0.000 2.412 171 I HA 0.141 4.311 4.170 -0.000 0.000 0.296 171 I C 0.106 175.926 176.117 -0.495 0.000 0.987 171 I CA -0.620 60.510 61.300 -0.282 0.000 1.180 171 I CB 1.428 39.246 38.000 -0.304 0.000 1.340 171 I HN 0.582 nan 8.210 nan 0.000 0.455 172 N N 3.922 122.103 118.700 -0.866 0.000 2.447 172 N HA 0.100 4.840 4.740 -0.000 0.000 0.263 172 N C 0.891 176.104 175.510 -0.494 0.000 1.226 172 N CA 0.789 53.193 53.050 -1.078 0.000 0.906 172 N CB 0.403 38.125 38.487 -1.275 0.000 1.060 172 N HN 0.976 nan 8.380 nan 0.000 0.468 173 G N 1.759 110.361 108.800 -0.331 0.000 2.198 173 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.260 173 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.260 173 G C 0.770 175.552 174.900 -0.197 0.000 1.025 173 G CA 0.596 45.601 45.100 -0.159 0.000 0.769 173 G HN 0.615 nan 8.290 nan 0.000 0.507 174 S N -0.085 115.387 115.700 -0.379 0.000 2.357 174 S HA -0.046 4.424 4.470 -0.000 0.000 0.221 174 S C 1.741 176.109 174.600 -0.388 0.000 1.031 174 S CA 1.687 59.591 58.200 -0.493 0.000 0.982 174 S CB -0.268 62.320 63.200 -1.019 0.000 0.853 174 S HN 1.508 nan 8.310 nan 0.000 0.458 175 N N -0.482 117.946 118.700 -0.453 0.000 2.984 175 N HA -0.107 4.633 4.740 -0.000 0.000 0.227 175 N C -0.533 174.646 175.510 -0.551 0.000 0.903 175 N CA 1.415 54.251 53.050 -0.357 0.000 0.995 175 N CB -1.536 36.876 38.487 -0.126 0.000 1.065 175 N HN 0.775 nan 8.380 nan 0.000 0.585 176 W N -0.345 120.648 121.300 -0.511 0.000 2.736 176 W HA 0.709 5.369 4.660 -0.000 0.000 0.335 176 W C -0.112 176.276 176.519 -0.218 0.000 1.059 176 W CA -0.623 56.459 57.345 -0.439 0.000 1.226 176 W CB 0.756 29.994 29.460 -0.371 0.000 1.416 176 W HN -0.093 nan 8.180 nan 0.000 0.505 177 E N 1.770 122.127 120.200 0.262 0.000 2.583 177 E HA 0.357 4.707 4.350 -0.000 0.000 0.213 177 E C 0.564 177.426 176.600 0.438 0.000 0.989 177 E CA 0.035 56.551 56.400 0.194 0.000 0.991 177 E CB 1.427 31.129 29.700 0.004 0.000 1.040 177 E HN 0.661 nan 8.360 nan 0.000 0.481 178 G N 0.049 109.154 108.800 0.508 0.000 2.606 178 G HA2 0.613 4.573 3.960 -0.000 0.000 0.300 178 G HA3 0.613 4.573 3.960 -0.000 0.000 0.300 178 G C -1.789 173.198 174.900 0.146 0.000 1.360 178 G CA -0.694 44.604 45.100 0.330 0.000 0.783 178 G HN 0.062 nan 8.290 nan 0.000 0.484 179 I N -0.519 120.123 120.570 0.120 0.000 2.656 179 I HA 0.647 4.817 4.170 -0.000 0.000 0.292 179 I C -1.740 174.483 176.117 0.178 0.000 1.144 179 I CA -1.152 60.178 61.300 0.050 0.000 1.038 179 I CB 2.176 40.256 38.000 0.133 0.000 1.244 179 I HN 0.478 nan 8.210 nan 0.000 0.420 180 L N 7.665 128.918 121.223 0.050 0.000 2.301 180 L HA 0.639 4.979 4.340 -0.000 0.000 0.278 180 L C 0.032 176.885 176.870 -0.028 0.000 1.022 180 L CA -0.061 54.770 54.840 -0.015 0.000 0.854 180 L CB 0.993 42.892 42.059 -0.266 0.000 1.226 180 L HN 0.639 nan 8.230 nan 0.000 0.429 181 G N 5.164 114.013 108.800 0.082 0.000 2.372 181 G HA2 0.351 4.311 3.960 -0.000 0.000 0.286 181 G HA3 0.351 4.311 3.960 -0.000 0.000 0.286 181 G C 0.461 175.367 174.900 0.010 0.000 1.153 181 G CA -0.344 44.802 45.100 0.077 0.000 0.985 181 G HN 0.733 nan 8.290 nan 0.000 0.429 182 L N 1.998 123.179 121.223 -0.071 0.000 2.607 182 L HA 0.262 4.602 4.340 -0.000 0.000 0.228 182 L C 1.872 178.717 176.870 -0.042 0.000 1.123 182 L CA -0.117 54.627 54.840 -0.160 0.000 0.890 182 L CB -0.065 41.693 42.059 -0.503 0.000 1.103 182 L HN 0.580 nan 8.230 nan 0.000 0.468 183 A N -0.991 121.805 122.820 -0.039 0.000 2.275 183 A HA 0.444 4.764 4.320 -0.000 0.000 0.282 183 A C -0.663 176.726 177.584 -0.325 0.000 1.275 183 A CA -0.198 51.669 52.037 -0.283 0.000 0.842 183 A CB 0.065 18.959 19.000 -0.177 0.000 1.280 183 A HN 0.083 nan 8.150 nan 0.000 0.508 184 Y N -1.692 118.512 120.300 -0.160 0.000 2.326 184 Y HA 0.425 4.975 4.550 -0.000 0.000 0.324 184 Y C 1.689 177.569 175.900 -0.033 0.000 1.291 184 Y CA 0.214 58.279 58.100 -0.058 0.000 1.348 184 Y CB 0.774 39.199 38.460 -0.058 0.000 1.294 184 Y HN 0.667 nan 8.280 nan 0.000 0.525 185 A N 0.539 123.466 122.820 0.179 0.000 1.986 185 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 185 A C 1.924 179.545 177.584 0.062 0.000 1.171 185 A CA 2.042 54.137 52.037 0.098 0.000 0.640 185 A CB -0.726 18.330 19.000 0.093 0.000 0.811 185 A HN 0.977 nan 8.150 nan 0.000 0.451 186 E N -0.488 119.758 120.200 0.077 0.000 2.130 186 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 186 E C 1.597 178.211 176.600 0.023 0.000 0.998 186 E CA 1.580 58.012 56.400 0.052 0.000 0.806 186 E CB -0.286 29.465 29.700 0.086 0.000 0.738 186 E HN 0.933 nan 8.360 nan 0.000 0.459 187 I N -2.965 117.585 120.570 -0.033 0.000 3.904 187 I HA 0.338 4.508 4.170 -0.000 0.000 0.333 187 I C 0.498 176.560 176.117 -0.092 0.000 1.361 187 I CA -0.586 60.642 61.300 -0.119 0.000 1.116 187 I CB 0.352 38.131 38.000 -0.368 0.000 1.028 187 I HN -0.191 nan 8.210 nan 0.000 0.398 188 A N 1.968 124.763 122.820 -0.042 0.000 2.407 188 A HA 0.604 4.924 4.320 -0.000 0.000 0.248 188 A C 0.021 177.565 177.584 -0.068 0.000 1.082 188 A CA -0.337 51.683 52.037 -0.029 0.000 0.785 188 A CB 0.400 19.411 19.000 0.019 0.000 1.020 188 A HN 0.346 nan 8.150 nan 0.000 0.489 189 R N 1.767 122.209 120.500 -0.098 0.000 2.532 189 R HA 0.414 4.753 4.340 -0.000 0.000 0.295 189 R C -2.265 173.986 176.300 -0.083 0.000 0.968 189 R CA -2.480 53.521 56.100 -0.165 0.000 0.916 189 R CB 0.682 30.778 30.300 -0.339 0.000 1.124 189 R HN 0.436 nan 8.270 nan 0.000 0.463 190 P HA -0.042 nan 4.420 nan 0.000 0.222 190 P C -0.605 176.641 177.300 -0.090 0.000 1.153 190 P CA 0.972 64.000 63.100 -0.120 0.000 0.798 190 P CB 0.357 32.019 31.700 -0.062 0.000 0.796 191 D N -2.863 117.508 120.400 -0.048 0.000 2.643 191 D HA 0.108 4.748 4.640 -0.000 0.000 0.283 191 D C -0.257 176.036 176.300 -0.012 0.000 1.242 191 D CA -0.698 53.283 54.000 -0.032 0.000 0.863 191 D CB -0.320 40.468 40.800 -0.020 0.000 1.382 191 D HN -0.266 nan 8.370 nan 0.000 0.444 192 D N -0.981 119.417 120.400 -0.005 0.000 2.392 192 D HA -0.102 4.538 4.640 -0.000 0.000 0.228 192 D C 1.247 177.558 176.300 0.018 0.000 1.003 192 D CA 0.891 54.897 54.000 0.010 0.000 0.917 192 D CB -0.306 40.500 40.800 0.011 0.000 0.890 192 D HN 0.277 nan 8.370 nan 0.000 0.532 193 S N -0.685 115.024 115.700 0.014 0.000 2.527 193 S HA -0.009 4.461 4.470 -0.000 0.000 0.222 193 S C 0.792 175.409 174.600 0.028 0.000 0.985 193 S CA -0.582 57.629 58.200 0.018 0.000 0.921 193 S CB -0.482 62.726 63.200 0.013 0.000 0.772 193 S HN 0.247 nan 8.310 nan 0.000 0.529 194 L N 3.187 124.430 121.223 0.033 0.000 2.363 194 L HA 0.364 4.704 4.340 -0.000 0.000 0.286 194 L C 0.179 177.086 176.870 0.063 0.000 1.106 194 L CA -0.122 54.748 54.840 0.050 0.000 0.859 194 L CB 0.247 42.339 42.059 0.056 0.000 1.223 194 L HN 0.256 nan 8.230 nan 0.000 0.446 195 E N 6.788 127.024 120.200 0.060 0.000 2.406 195 E HA 0.109 4.458 4.350 -0.000 0.000 0.258 195 E C -2.147 174.505 176.600 0.088 0.000 1.043 195 E CA -1.527 54.909 56.400 0.061 0.000 0.929 195 E CB 0.570 30.291 29.700 0.037 0.000 0.969 195 E HN 0.427 nan 8.360 nan 0.000 0.462 196 P HA -0.046 nan 4.420 nan 0.000 0.272 196 P C 0.073 177.455 177.300 0.136 0.000 1.223 196 P CA -0.143 63.040 63.100 0.138 0.000 0.784 196 P CB 0.398 32.169 31.700 0.119 0.000 0.923 197 F N 2.023 121.991 119.950 0.029 0.000 2.063 197 F HA -0.281 4.246 4.527 -0.000 0.000 0.298 197 F C 1.976 177.740 175.800 -0.061 0.000 1.109 197 F CA 1.684 59.648 58.000 -0.061 0.000 1.212 197 F CB -0.753 38.109 39.000 -0.231 0.000 0.973 197 F HN 0.214 nan 8.300 nan 0.000 0.480 198 F N 1.243 121.169 119.950 -0.039 0.000 2.216 198 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 198 F C 1.971 177.685 175.800 -0.143 0.000 1.085 198 F CA 2.044 59.972 58.000 -0.120 0.000 1.326 198 F CB -0.582 38.401 39.000 -0.028 0.000 1.027 198 F HN 0.013 nan 8.300 nan 0.000 0.497 199 D N -1.056 119.366 120.400 0.037 0.000 2.144 199 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 199 D C 2.383 178.603 176.300 -0.134 0.000 0.978 199 D CA 1.422 55.424 54.000 0.004 0.000 0.833 199 D CB -0.297 40.542 40.800 0.066 0.000 0.961 199 D HN 0.133 nan 8.370 nan 0.000 0.470 200 S N 0.269 115.843 115.700 -0.210 0.000 2.368 200 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 200 S C 1.770 176.150 174.600 -0.367 0.000 1.029 200 S CA 0.293 58.342 58.200 -0.252 0.000 0.988 200 S CB -0.247 62.803 63.200 -0.250 0.000 0.838 200 S HN 0.182 nan 8.310 nan 0.000 0.462 201 L N 1.929 122.789 121.223 -0.605 0.000 2.046 201 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 201 L C 2.137 178.747 176.870 -0.432 0.000 1.077 201 L CA 1.615 56.082 54.840 -0.622 0.000 0.747 201 L CB -0.645 40.873 42.059 -0.902 0.000 0.896 201 L HN 0.123 nan 8.230 nan 0.000 0.432 202 V N -0.438 119.221 119.914 -0.426 0.000 2.379 202 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 202 V C 2.628 178.616 176.094 -0.176 0.000 1.044 202 V CA 1.924 64.067 62.300 -0.262 0.000 1.036 202 V CB -0.562 31.162 31.823 -0.165 0.000 0.664 202 V HN 0.449 nan 8.190 nan 0.000 0.453 203 K N 0.033 120.340 120.400 -0.156 0.000 2.148 203 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 203 K C 2.077 178.601 176.600 -0.127 0.000 1.050 203 K CA 1.456 57.672 56.287 -0.117 0.000 0.942 203 K CB -0.104 32.345 32.500 -0.086 0.000 0.724 203 K HN 0.512 nan 8.250 nan 0.000 0.446 204 Q N -0.523 119.191 119.800 -0.143 0.000 2.408 204 Q HA 0.061 4.401 4.340 -0.000 0.000 0.205 204 Q C 0.112 176.054 176.000 -0.096 0.000 0.919 204 Q CA 0.753 56.488 55.803 -0.113 0.000 0.932 204 Q CB 0.928 29.599 28.738 -0.113 0.000 1.058 204 Q HN 0.407 nan 8.270 nan 0.000 0.517 205 T N -4.255 110.227 114.554 -0.121 0.000 2.669 205 T HA 0.278 4.628 4.350 -0.000 0.000 0.283 205 T C -0.125 174.516 174.700 -0.098 0.000 1.019 205 T CA -0.739 61.331 62.100 -0.050 0.000 1.039 205 T CB 0.906 69.749 68.868 -0.041 0.000 1.374 205 T HN -0.013 nan 8.240 nan 0.000 0.523 206 H N -0.966 118.087 119.070 -0.030 0.000 2.520 206 H HA 0.498 5.054 4.556 -0.000 0.000 0.284 206 H C 0.214 175.547 175.328 0.008 0.000 1.037 206 H CA -0.142 55.902 56.048 -0.008 0.000 1.168 206 H CB -0.044 29.720 29.762 0.003 0.000 1.497 206 H HN 0.294 nan 8.280 nan 0.000 0.547 207 V N 3.511 123.461 119.914 0.059 0.000 2.458 207 V HA 0.015 4.135 4.120 -0.000 0.000 0.287 207 V C -1.750 174.380 176.094 0.060 0.000 1.009 207 V CA -1.298 61.036 62.300 0.056 0.000 1.091 207 V CB 0.436 32.241 31.823 -0.031 0.000 0.960 207 V HN 0.232 nan 8.190 nan 0.000 0.476 208 P HA -0.007 nan 4.420 nan 0.000 0.267 208 P C -0.016 177.403 177.300 0.200 0.000 1.201 208 P CA -0.078 63.112 63.100 0.150 0.000 0.775 208 P CB 0.299 32.111 31.700 0.186 0.000 0.854 209 N N 2.798 121.622 118.700 0.208 0.000 3.178 209 N HA 0.226 4.966 4.740 -0.000 0.000 0.300 209 N C -0.785 174.932 175.510 0.345 0.000 1.242 209 N CA -0.003 53.249 53.050 0.335 0.000 1.192 209 N CB -1.230 37.404 38.487 0.246 0.000 1.463 209 N HN 0.334 nan 8.380 nan 0.000 0.539 210 L N -1.228 120.243 121.223 0.415 0.000 2.866 210 L HA 0.694 5.034 4.340 -0.000 0.000 0.262 210 L C -1.701 175.311 176.870 0.236 0.000 0.986 210 L CA -1.203 53.738 54.840 0.168 0.000 0.925 210 L CB 1.070 43.158 42.059 0.048 0.000 1.484 210 L HN 0.005 nan 8.230 nan 0.000 0.414 211 F N -0.222 119.674 119.950 -0.089 0.000 2.662 211 F HA 0.957 5.484 4.527 -0.000 0.000 0.312 211 F C -0.896 174.826 175.800 -0.130 0.000 1.113 211 F CA -0.385 57.545 58.000 -0.117 0.000 0.951 211 F CB 1.612 40.482 39.000 -0.217 0.000 1.344 211 F HN 0.711 nan 8.300 nan 0.000 0.462 212 S N 1.450 117.144 115.700 -0.011 0.000 2.549 212 S HA 0.844 5.314 4.470 -0.000 0.000 0.280 212 S C -1.549 173.058 174.600 0.011 0.000 1.109 212 S CA -0.826 57.260 58.200 -0.190 0.000 0.905 212 S CB 1.924 64.842 63.200 -0.470 0.000 1.081 212 S HN 0.851 nan 8.310 nan 0.000 0.477 213 L N 1.918 123.117 121.223 -0.039 0.000 2.376 213 L HA 0.540 4.880 4.340 -0.000 0.000 0.275 213 L C -0.446 176.454 176.870 0.050 0.000 0.987 213 L CA -0.326 54.534 54.840 0.033 0.000 0.828 213 L CB 2.009 44.099 42.059 0.053 0.000 1.249 213 L HN 0.761 nan 8.230 nan 0.000 0.409 214 Q N 5.275 125.132 119.800 0.095 0.000 2.456 214 Q HA 0.456 4.796 4.340 -0.000 0.000 0.252 214 Q C -1.585 174.359 176.000 -0.093 0.000 1.042 214 Q CA -0.531 55.326 55.803 0.089 0.000 0.766 214 Q CB 1.106 29.908 28.738 0.107 0.000 1.196 214 Q HN 0.624 nan 8.270 nan 0.000 0.504 215 L N 3.110 124.220 121.223 -0.189 0.000 2.275 215 L HA 0.516 4.856 4.340 -0.000 0.000 0.288 215 L C -0.446 176.316 176.870 -0.181 0.000 1.046 215 L CA -0.750 53.838 54.840 -0.420 0.000 0.805 215 L CB 1.258 42.903 42.059 -0.690 0.000 1.193 215 L HN 0.609 nan 8.230 nan 0.000 0.426 216 c N 2.124 120.705 118.600 -0.031 0.000 2.435 216 c HA 0.725 5.295 4.570 -0.000 0.000 0.333 216 c C 1.115 175.348 174.090 0.237 0.000 1.202 216 c CA -0.691 55.672 56.329 0.056 0.000 1.830 216 c CB 1.194 43.749 42.510 0.075 0.000 2.326 216 c HN 0.966 nan 8.230 nan 0.000 0.507 217 G N 0.844 109.791 108.800 0.245 0.000 2.516 217 G HA2 0.517 4.477 3.960 -0.000 0.000 0.276 217 G HA3 0.517 4.477 3.960 -0.000 0.000 0.276 217 G C 0.142 175.199 174.900 0.262 0.000 1.390 217 G CA 0.007 45.266 45.100 0.265 0.000 1.050 217 G HN 1.245 nan 8.290 nan 0.000 0.519 218 A N -1.399 121.497 122.820 0.127 0.000 2.561 218 A HA 0.518 4.838 4.320 -0.000 0.000 0.234 218 A C 1.501 179.002 177.584 -0.138 0.000 1.055 218 A CA 1.485 53.528 52.037 0.009 0.000 0.756 218 A CB -0.853 18.134 19.000 -0.021 0.000 0.986 218 A HN 2.669 nan 8.150 nan 0.000 0.505 219 G N 1.129 109.859 108.800 -0.116 0.000 2.527 219 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.268 219 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.268 219 G C 0.602 175.459 174.900 -0.072 0.000 1.175 219 G CA 0.659 45.639 45.100 -0.200 0.000 0.962 219 G HN 1.941 nan 8.290 nan 0.000 0.560 220 F N -1.432 118.501 119.950 -0.028 0.000 2.523 220 F HA -0.302 4.225 4.527 -0.000 0.000 0.759 220 F C 0.449 176.231 175.800 -0.029 0.000 0.486 220 F CA 2.032 60.007 58.000 -0.042 0.000 0.756 220 F CB -2.148 36.809 39.000 -0.072 0.000 1.613 220 F HN 0.658 nan 8.300 nan 0.000 0.280 221 P HA 0.071 nan 4.420 nan 0.000 0.222 221 P C 0.163 177.493 177.300 0.051 0.000 1.153 221 P CA 1.265 64.416 63.100 0.084 0.000 0.798 221 P CB 0.016 31.750 31.700 0.055 0.000 0.796 222 L N 0.259 121.512 121.223 0.050 0.000 2.439 222 L HA 0.285 4.625 4.340 -0.000 0.000 0.261 222 L C 0.852 177.726 176.870 0.006 0.000 1.153 222 L CA -0.140 54.713 54.840 0.021 0.000 0.808 222 L CB -0.791 41.279 42.059 0.017 0.000 1.126 222 L HN 0.039 nan 8.230 nan 0.000 0.460 231 V N -1.608 118.285 119.914 -0.036 0.000 3.130 231 V HA 1.115 5.235 4.120 -0.000 0.000 0.310 231 V C 0.059 176.173 176.094 0.033 0.000 1.158 231 V CA -0.203 62.105 62.300 0.013 0.000 1.029 231 V CB 1.419 33.223 31.823 -0.032 0.000 1.057 231 V HN 1.392 nan 8.190 nan 0.000 0.436 232 G N -1.132 107.757 108.800 0.148 0.000 2.866 232 G HA2 1.000 4.960 3.960 -0.000 0.000 0.289 232 G HA3 1.000 4.960 3.960 -0.000 0.000 0.289 232 G C -0.369 174.640 174.900 0.181 0.000 1.396 232 G CA -0.304 44.871 45.100 0.125 0.000 0.848 232 G HN 1.904 nan 8.290 nan 0.000 0.515 233 G N -1.621 107.226 108.800 0.077 0.000 2.321 233 G HA2 0.581 4.541 3.960 -0.000 0.000 0.296 233 G HA3 0.581 4.541 3.960 -0.000 0.000 0.296 233 G C -1.351 173.543 174.900 -0.009 0.000 1.287 233 G CA 0.143 45.245 45.100 0.003 0.000 0.846 233 G HN 1.294 nan 8.290 nan 0.000 0.508 234 S N -0.472 115.216 115.700 -0.020 0.000 2.541 234 S HA 0.695 5.165 4.470 -0.000 0.000 0.280 234 S C -0.587 174.024 174.600 0.019 0.000 1.112 234 S CA -0.534 57.669 58.200 0.006 0.000 0.925 234 S CB 1.818 65.028 63.200 0.016 0.000 1.067 234 S HN 0.835 nan 8.310 nan 0.000 0.479 235 M N 4.109 123.722 119.600 0.021 0.000 2.018 235 M HA 0.458 4.938 4.480 -0.000 0.000 0.311 235 M C -1.722 174.599 176.300 0.036 0.000 0.928 235 M CA -0.720 54.595 55.300 0.026 0.000 0.911 235 M CB 0.241 32.829 32.600 -0.020 0.000 1.447 235 M HN 0.473 nan 8.290 nan 0.000 0.407 236 I N 6.537 127.127 120.570 0.034 0.000 2.294 236 I HA 0.208 4.378 4.170 -0.000 0.000 0.295 236 I C 0.065 176.162 176.117 -0.034 0.000 1.098 236 I CA -0.374 60.882 61.300 -0.072 0.000 1.277 236 I CB -0.230 37.667 38.000 -0.172 0.000 1.434 236 I HN 0.603 nan 8.210 nan 0.000 0.498 237 I N 5.450 126.038 120.570 0.030 0.000 2.396 237 I HA 0.252 4.422 4.170 -0.000 0.000 0.289 237 I C 1.310 177.501 176.117 0.124 0.000 1.056 237 I CA 0.318 61.720 61.300 0.170 0.000 1.365 237 I CB 0.412 38.522 38.000 0.183 0.000 1.407 237 I HN 0.872 nan 8.210 nan 0.000 0.509 238 G N 4.261 113.192 108.800 0.219 0.000 2.144 238 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.218 238 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.218 238 G C 0.333 175.343 174.900 0.183 0.000 0.988 238 G CA -0.086 45.150 45.100 0.227 0.000 0.659 238 G HN 1.263 nan 8.290 nan 0.000 0.522 239 G N -1.259 107.508 108.800 -0.055 0.000 2.335 239 G HA2 0.553 4.513 3.960 -0.000 0.000 0.291 239 G HA3 0.553 4.513 3.960 -0.000 0.000 0.291 239 G C -1.591 173.205 174.900 -0.173 0.000 1.261 239 G CA -0.262 44.818 45.100 -0.034 0.000 0.871 239 G HN 0.836 nan 8.290 nan 0.000 0.491 240 I N 0.978 121.573 120.570 0.041 0.000 2.465 240 I HA 0.371 4.541 4.170 -0.000 0.000 0.291 240 I C -1.261 175.015 176.117 0.266 0.000 1.014 240 I CA -0.642 60.725 61.300 0.112 0.000 1.093 240 I CB 2.246 40.286 38.000 0.067 0.000 1.267 240 I HN 0.370 nan 8.210 nan 0.000 0.431 241 D N 5.174 125.727 120.400 0.255 0.000 2.392 241 D HA 0.189 4.829 4.640 -0.000 0.000 0.228 241 D C 0.869 177.254 176.300 0.142 0.000 1.074 241 D CA -0.205 53.957 54.000 0.271 0.000 0.838 241 D CB 0.826 41.722 40.800 0.160 0.000 1.067 241 D HN 0.550 nan 8.370 nan 0.000 0.511 242 H N 1.600 120.759 119.070 0.149 0.000 2.545 242 H HA -0.083 4.473 4.556 -0.000 0.000 0.282 242 H C 1.745 176.919 175.328 -0.256 0.000 1.020 242 H CA 0.950 56.965 56.048 -0.054 0.000 1.243 242 H CB 0.479 30.214 29.762 -0.046 0.000 1.377 242 H HN 0.371 nan 8.280 nan 0.000 0.581 243 S N 0.527 116.202 115.700 -0.042 0.000 2.561 243 S HA 0.022 4.492 4.470 -0.000 0.000 0.225 243 S C 1.708 176.211 174.600 -0.162 0.000 0.977 243 S CA 0.060 58.204 58.200 -0.094 0.000 0.926 243 S CB -0.315 62.869 63.200 -0.027 0.000 0.769 243 S HN 0.296 nan 8.310 nan 0.000 0.533 244 L N 0.630 121.703 121.223 -0.251 0.000 2.607 244 L HA 0.372 4.712 4.340 -0.000 0.000 0.228 244 L C 0.161 176.855 176.870 -0.293 0.000 1.123 244 L CA -0.365 54.261 54.840 -0.356 0.000 0.890 244 L CB -0.292 41.384 42.059 -0.639 0.000 1.103 244 L HN 0.587 nan 8.230 nan 0.000 0.468 245 Y N -2.548 117.561 120.300 -0.319 0.000 2.670 245 Y HA 0.669 5.219 4.550 0.000 0.000 0.334 245 Y C -0.432 175.430 175.900 -0.064 0.000 1.185 245 Y CA -1.511 56.492 58.100 -0.162 0.000 1.053 245 Y CB 0.835 39.245 38.460 -0.083 0.000 1.298 245 Y HN -0.088 nan 8.280 nan 0.000 0.459 246 T N -1.006 113.592 114.554 0.072 0.000 2.930 246 T HA 0.788 5.138 4.350 -0.000 0.000 0.290 246 T C 0.465 175.258 174.700 0.154 0.000 1.052 246 T CA -0.303 61.796 62.100 -0.003 0.000 1.017 246 T CB 1.090 69.950 68.868 -0.014 0.000 1.137 246 T HN 2.288 nan 8.240 nan 0.000 0.511 247 G N 1.410 110.265 108.800 0.092 0.000 2.601 247 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.252 247 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.252 247 G C -0.203 174.823 174.900 0.210 0.000 1.294 247 G CA -0.211 44.973 45.100 0.141 0.000 0.912 247 G HN 1.307 nan 8.290 nan 0.000 0.574 248 S N -0.548 115.251 115.700 0.164 0.000 2.608 248 S HA 0.657 5.126 4.470 -0.000 0.000 0.291 248 S C 0.352 174.909 174.600 -0.073 0.000 1.146 248 S CA -0.609 57.608 58.200 0.027 0.000 1.043 248 S CB 1.614 64.704 63.200 -0.183 0.000 1.037 248 S HN 0.650 nan 8.310 nan 0.000 0.520 249 L N 2.107 123.184 121.223 -0.243 0.000 2.319 249 L HA 0.328 4.667 4.340 -0.000 0.000 0.280 249 L C -1.045 175.411 176.870 -0.691 0.000 1.099 249 L CA -0.171 54.383 54.840 -0.476 0.000 0.828 249 L CB 0.423 42.127 42.059 -0.593 0.000 1.150 249 L HN 0.654 nan 8.230 nan 0.000 0.442 250 W N 3.003 123.916 121.300 -0.644 0.000 2.478 250 W HA 0.450 5.110 4.660 -0.000 0.000 0.318 250 W C -0.651 175.261 176.519 -1.011 0.000 1.062 250 W CA -0.217 56.598 57.345 -0.883 0.000 1.210 250 W CB 1.042 29.660 29.460 -1.404 0.000 1.325 250 W HN 0.220 nan 8.180 nan 0.000 0.496 251 Y N 1.381 121.497 120.300 -0.307 0.000 2.409 251 Y HA 0.549 5.099 4.550 -0.000 0.000 0.339 251 Y C 0.483 176.549 175.900 0.277 0.000 1.033 251 Y CA -0.855 57.221 58.100 -0.039 0.000 1.094 251 Y CB 2.290 40.715 38.460 -0.059 0.000 1.210 251 Y HN 0.159 nan 8.280 nan 0.000 0.456 252 T N 4.460 119.323 114.554 0.516 0.000 2.841 252 T HA 0.515 4.865 4.350 -0.000 0.000 0.283 252 T C -2.918 171.952 174.700 0.283 0.000 1.000 252 T CA -2.639 59.730 62.100 0.447 0.000 0.977 252 T CB 1.099 70.213 68.868 0.410 0.000 0.979 252 T HN 0.229 nan 8.240 nan 0.000 0.446 253 P HA 0.293 nan 4.420 nan 0.000 0.271 253 P C -0.485 176.917 177.300 0.170 0.000 1.218 253 P CA -0.219 62.979 63.100 0.162 0.000 0.780 253 P CB 0.302 32.079 31.700 0.128 0.000 0.901 254 I N 3.528 124.198 120.570 0.167 0.000 2.347 254 I HA 0.128 4.298 4.170 -0.000 0.000 0.294 254 I C 1.975 178.183 176.117 0.151 0.000 1.090 254 I CA -0.035 61.386 61.300 0.202 0.000 1.314 254 I CB 0.401 38.547 38.000 0.243 0.000 1.423 254 I HN 0.410 nan 8.210 nan 0.000 0.503 255 R N 5.765 126.365 120.500 0.168 0.000 2.096 255 R HA 0.010 4.350 4.340 -0.000 0.000 0.235 255 R C 0.716 177.074 176.300 0.097 0.000 1.127 255 R CA 1.178 57.358 56.100 0.132 0.000 0.968 255 R CB 0.284 30.680 30.300 0.161 0.000 0.861 255 R HN 0.608 nan 8.270 nan 0.000 0.440 256 R N -0.020 120.564 120.500 0.140 0.000 2.594 256 R HA 0.087 4.427 4.340 -0.000 0.000 0.265 256 R C -1.651 174.701 176.300 0.087 0.000 1.070 256 R CA -0.452 55.674 56.100 0.043 0.000 0.909 256 R CB 1.413 31.676 30.300 -0.061 0.000 1.243 256 R HN -0.020 nan 8.270 nan 0.000 0.455 257 E N 4.697 124.788 120.200 -0.182 0.000 1.892 257 E HA 0.092 4.442 4.350 -0.000 0.000 0.271 257 E C -0.210 176.268 176.600 -0.203 0.000 1.146 257 E CA -0.008 56.025 56.400 -0.613 0.000 1.096 257 E CB 0.214 29.258 29.700 -1.093 0.000 1.155 257 E HN 0.479 nan 8.360 nan 0.000 0.458 258 W N 1.410 122.594 121.300 -0.193 0.000 4.559 258 W HA 0.201 4.861 4.660 -0.000 0.000 0.172 258 W C -0.285 176.136 176.519 -0.163 0.000 3.305 258 W CA -0.218 57.035 57.345 -0.154 0.000 1.529 258 W CB -0.602 28.742 29.460 -0.193 0.000 1.951 258 W HN 0.020 nan 8.180 nan 0.000 0.514 259 Y N 0.378 120.465 120.300 -0.354 0.000 2.344 259 Y HA 0.326 4.876 4.550 -0.000 0.000 0.330 259 Y C -0.088 175.739 175.900 -0.122 0.000 1.330 259 Y CA -0.611 57.301 58.100 -0.313 0.000 1.479 259 Y CB -0.089 38.083 38.460 -0.479 0.000 1.428 259 Y HN -0.162 nan 8.280 nan 0.000 0.544 260 Y N 0.835 121.344 120.300 0.349 0.000 2.636 260 Y HA 0.115 4.665 4.550 0.000 0.000 0.334 260 Y C 0.404 176.462 175.900 0.263 0.000 1.286 260 Y CA -0.316 57.998 58.100 0.356 0.000 1.688 260 Y CB -0.288 38.404 38.460 0.387 0.000 1.662 260 Y HN 0.415 nan 8.280 nan 0.000 0.465 261 E N 2.630 123.043 120.200 0.355 0.000 2.313 261 E HA 0.467 4.817 4.350 -0.000 0.000 0.276 261 E C -0.705 176.053 176.600 0.264 0.000 1.031 261 E CA -0.521 56.057 56.400 0.298 0.000 0.857 261 E CB 0.924 30.879 29.700 0.425 0.000 1.040 261 E HN 0.414 nan 8.360 nan 0.000 0.408 262 V N 1.357 121.393 119.914 0.203 0.000 3.156 262 V HA 0.643 4.763 4.120 -0.000 0.000 0.311 262 V C -0.540 175.630 176.094 0.127 0.000 1.208 262 V CA -1.004 61.394 62.300 0.163 0.000 1.063 262 V CB 1.634 33.544 31.823 0.146 0.000 1.098 262 V HN 0.619 nan 8.190 nan 0.000 0.452 263 I N 1.365 121.990 120.570 0.092 0.000 2.466 263 I HA 0.498 4.668 4.170 -0.000 0.000 0.289 263 I C -0.869 175.259 176.117 0.019 0.000 1.026 263 I CA -0.459 60.888 61.300 0.077 0.000 1.078 263 I CB 1.961 40.014 38.000 0.088 0.000 1.249 263 I HN 0.498 nan 8.210 nan 0.000 0.429 264 I N 6.617 127.206 120.570 0.032 0.000 2.331 264 I HA 0.139 4.309 4.170 -0.000 0.000 0.292 264 I C 1.097 177.254 176.117 0.066 0.000 0.998 264 I CA -0.305 60.983 61.300 -0.021 0.000 1.267 264 I CB 1.698 39.675 38.000 -0.039 0.000 1.386 264 I HN 0.492 nan 8.210 nan 0.000 0.476 265 V N 2.754 122.671 119.914 0.006 0.000 3.621 265 V HA 0.393 4.513 4.120 -0.000 0.000 0.263 265 V C 0.624 176.739 176.094 0.035 0.000 1.272 265 V CA 0.170 62.498 62.300 0.047 0.000 1.080 265 V CB -0.027 31.795 31.823 -0.002 0.000 0.816 265 V HN 0.853 nan 8.190 nan 0.000 0.451 266 R N -0.529 119.911 120.500 -0.100 0.000 2.663 266 R HA 0.696 5.036 4.340 -0.000 0.000 0.267 266 R C -2.407 173.670 176.300 -0.371 0.000 1.038 266 R CA -0.388 55.565 56.100 -0.244 0.000 0.886 266 R CB 2.720 32.665 30.300 -0.592 0.000 1.249 266 R HN 0.068 nan 8.270 nan 0.000 0.463 267 V N 2.722 122.371 119.914 -0.442 0.000 2.569 267 V HA 0.431 4.551 4.120 -0.000 0.000 0.301 267 V C -0.956 175.048 176.094 -0.150 0.000 1.044 267 V CA -0.752 61.323 62.300 -0.375 0.000 0.874 267 V CB 1.898 33.302 31.823 -0.698 0.000 1.002 267 V HN 0.768 nan 8.190 nan 0.000 0.424 268 E N 4.848 125.022 120.200 -0.044 0.000 2.266 268 E HA 0.657 5.007 4.350 -0.000 0.000 0.268 268 E C -1.326 175.274 176.600 -0.000 0.000 0.879 268 E CA -0.740 55.658 56.400 -0.004 0.000 0.762 268 E CB 3.157 32.890 29.700 0.056 0.000 1.199 268 E HN 0.525 nan 8.360 nan 0.000 0.422 269 I N 2.780 123.356 120.570 0.009 0.000 2.410 269 I HA 0.197 4.367 4.170 -0.000 0.000 0.286 269 I C -0.231 175.914 176.117 0.046 0.000 1.009 269 I CA -0.727 60.590 61.300 0.028 0.000 1.111 269 I CB 1.190 39.200 38.000 0.017 0.000 1.262 269 I HN 0.534 nan 8.210 nan 0.000 0.443 270 N N 4.836 123.577 118.700 0.068 0.000 2.721 270 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 270 N C 0.911 176.452 175.510 0.052 0.000 1.072 270 N CA 1.432 54.524 53.050 0.069 0.000 0.710 270 N CB -0.810 37.721 38.487 0.072 0.000 0.993 270 N HN 1.142 nan 8.380 nan 0.000 0.547 271 G N -1.331 107.500 108.800 0.050 0.000 2.148 271 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.254 271 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.254 271 G C -0.141 174.780 174.900 0.034 0.000 0.981 271 G CA 0.756 45.886 45.100 0.049 0.000 0.670 271 G HN 0.733 nan 8.290 nan 0.000 0.528 272 Q N 1.020 120.834 119.800 0.024 0.000 2.347 272 Q HA 0.534 4.874 4.340 -0.000 0.000 0.262 272 Q C -0.269 175.731 176.000 0.000 0.000 0.980 272 Q CA -0.760 55.049 55.803 0.011 0.000 0.867 272 Q CB 1.022 29.767 28.738 0.011 0.000 1.242 272 Q HN 0.193 nan 8.270 nan 0.000 0.453 273 D N 3.509 123.902 120.400 -0.012 0.000 2.455 273 D HA -0.044 4.596 4.640 -0.000 0.000 0.241 273 D C 0.481 176.783 176.300 0.004 0.000 1.138 273 D CA 0.082 54.068 54.000 -0.024 0.000 0.877 273 D CB 1.042 41.818 40.800 -0.039 0.000 1.187 273 D HN 0.668 nan 8.370 nan 0.000 0.451 274 L N 3.478 124.719 121.223 0.030 0.000 2.291 274 L HA -0.036 4.304 4.340 -0.000 0.000 0.214 274 L C 1.245 178.154 176.870 0.065 0.000 1.120 274 L CA 0.936 55.815 54.840 0.066 0.000 0.799 274 L CB -0.620 41.521 42.059 0.137 0.000 0.925 274 L HN 0.612 nan 8.230 nan 0.000 0.446 275 K N -0.249 120.187 120.400 0.060 0.000 3.244 275 K HA -0.218 4.102 4.320 -0.000 0.000 0.270 275 K C -0.189 176.409 176.600 -0.003 0.000 1.016 275 K CA 0.505 56.805 56.287 0.020 0.000 0.754 275 K CB -1.320 31.179 32.500 -0.001 0.000 1.326 275 K HN 0.284 nan 8.250 nan 0.000 0.465 276 M N 0.192 119.787 119.600 -0.009 0.000 2.578 276 M HA 0.182 4.662 4.480 -0.000 0.000 0.321 276 M C 0.155 176.305 176.300 -0.249 0.000 1.182 276 M CA -0.964 54.245 55.300 -0.151 0.000 0.965 276 M CB 1.298 33.747 32.600 -0.251 0.000 1.694 276 M HN 0.021 nan 8.290 nan 0.000 0.461 277 D N 1.234 121.489 120.400 -0.241 0.000 2.487 277 D HA -0.016 4.624 4.640 -0.000 0.000 0.243 277 D C 1.015 177.081 176.300 -0.389 0.000 1.154 277 D CA -0.163 53.705 54.000 -0.220 0.000 0.876 277 D CB 0.931 41.632 40.800 -0.165 0.000 1.161 277 D HN 0.801 nan 8.370 nan 0.000 0.478 278 c N 3.647 122.078 118.600 -0.283 0.000 2.449 278 c HA 0.042 4.612 4.570 -0.000 0.000 0.283 278 c C 2.057 176.033 174.090 -0.190 0.000 1.453 278 c CA -0.275 55.875 56.329 -0.298 0.000 1.779 278 c CB -0.636 41.898 42.510 0.041 0.000 1.779 278 c HN 0.593 nan 8.230 nan 0.000 0.546 279 K N 0.993 121.316 120.400 -0.128 0.000 2.147 279 K HA -0.101 4.218 4.320 -0.000 0.000 0.205 279 K C 2.103 178.671 176.600 -0.053 0.000 1.049 279 K CA 1.334 57.615 56.287 -0.011 0.000 0.936 279 K CB -0.141 32.381 32.500 0.037 0.000 0.722 279 K HN 0.584 nan 8.250 nan 0.000 0.446 280 E N 0.094 120.154 120.200 -0.233 0.000 2.153 280 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 280 E C 1.797 178.360 176.600 -0.062 0.000 0.988 280 E CA 1.264 57.535 56.400 -0.214 0.000 0.811 280 E CB -0.252 29.259 29.700 -0.315 0.000 0.746 280 E HN 0.555 nan 8.360 nan 0.000 0.466 281 Y N 0.753 121.074 120.300 0.035 0.000 2.439 281 Y HA -0.016 4.534 4.550 -0.000 0.000 0.292 281 Y C 1.371 177.298 175.900 0.046 0.000 1.130 281 Y CA 0.303 58.421 58.100 0.030 0.000 1.254 281 Y CB 0.171 38.633 38.460 0.003 0.000 1.000 281 Y HN 0.006 nan 8.280 nan 0.000 0.554 282 N N -0.850 117.968 118.700 0.196 0.000 2.416 282 N HA -0.031 4.709 4.740 -0.000 0.000 0.267 282 N C -0.915 174.688 175.510 0.155 0.000 1.294 282 N CA -0.174 52.976 53.050 0.166 0.000 0.891 282 N CB 0.111 38.706 38.487 0.179 0.000 1.238 282 N HN 0.165 nan 8.380 nan 0.000 0.508 283 Y N 2.649 122.910 120.300 -0.065 0.000 2.697 283 Y HA 0.054 4.604 4.550 -0.000 0.000 0.349 283 Y C 0.975 176.721 175.900 -0.257 0.000 1.120 283 Y CA 0.379 58.322 58.100 -0.262 0.000 1.468 283 Y CB -0.282 38.030 38.460 -0.247 0.000 1.182 283 Y HN 0.281 nan 8.280 nan 0.000 0.525 284 D N 1.901 122.014 120.400 -0.478 0.000 3.402 284 D HA -0.199 4.440 4.640 -0.000 0.000 0.226 284 D C -0.909 175.435 176.300 0.075 0.000 0.952 284 D CA 1.971 55.803 54.000 -0.280 0.000 2.153 284 D CB -1.086 39.495 40.800 -0.366 0.000 1.235 284 D HN 0.724 nan 8.370 nan 0.000 0.550 285 K N -1.231 119.184 120.400 0.024 0.000 2.711 285 K HA 0.683 5.003 4.320 -0.000 0.000 0.294 285 K C -1.752 174.865 176.600 0.029 0.000 1.037 285 K CA -0.799 55.547 56.287 0.099 0.000 0.858 285 K CB 1.398 33.963 32.500 0.108 0.000 1.521 285 K HN 0.066 nan 8.250 nan 0.000 0.386 286 S N 0.896 116.633 115.700 0.060 0.000 2.557 286 S HA 0.708 5.178 4.470 -0.000 0.000 0.291 286 S C -0.599 174.025 174.600 0.040 0.000 1.116 286 S CA -0.823 57.399 58.200 0.036 0.000 0.992 286 S CB 0.689 63.928 63.200 0.064 0.000 1.028 286 S HN 0.593 nan 8.310 nan 0.000 0.484 287 I N -1.005 119.570 120.570 0.008 0.000 3.074 287 I HA 0.797 4.967 4.170 -0.000 0.000 0.310 287 I C -1.455 174.729 176.117 0.112 0.000 1.153 287 I CA -1.310 60.025 61.300 0.058 0.000 0.993 287 I CB 1.879 39.834 38.000 -0.075 0.000 1.237 287 I HN 0.277 nan 8.210 nan 0.000 0.443 288 V N 2.369 122.414 119.914 0.218 0.000 2.347 288 V HA 0.427 4.547 4.120 -0.000 0.000 0.280 288 V C -1.007 175.247 176.094 0.267 0.000 1.021 288 V CA 0.030 62.472 62.300 0.237 0.000 0.847 288 V CB 0.960 32.934 31.823 0.251 0.000 0.990 288 V HN 0.734 nan 8.190 nan 0.000 0.444 289 D N 2.962 123.468 120.400 0.177 0.000 2.421 289 D HA 0.220 4.860 4.640 -0.000 0.000 0.254 289 D C 1.063 177.425 176.300 0.103 0.000 1.238 289 D CA -0.067 54.017 54.000 0.139 0.000 0.919 289 D CB 1.971 42.822 40.800 0.085 0.000 1.152 289 D HN 0.481 nan 8.370 nan 0.000 0.552 290 S N 1.346 117.094 115.700 0.080 0.000 2.481 290 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 290 S C 1.856 176.485 174.600 0.048 0.000 0.996 290 S CA 0.739 58.969 58.200 0.050 0.000 0.942 290 S CB 0.065 63.255 63.200 -0.017 0.000 0.768 290 S HN 0.392 nan 8.310 nan 0.000 0.520 291 G N 0.482 109.298 108.800 0.026 0.000 2.712 291 G HA2 0.188 4.148 3.960 -0.000 0.000 0.212 291 G HA3 0.188 4.148 3.960 -0.000 0.000 0.212 291 G C 0.315 175.222 174.900 0.011 0.000 1.142 291 G CA 0.257 45.353 45.100 -0.008 0.000 0.789 291 G HN 0.494 nan 8.290 nan 0.000 0.535 292 T N 0.355 114.934 114.554 0.041 0.000 2.795 292 T HA 0.384 4.734 4.350 -0.000 0.000 0.282 292 T C 1.306 176.040 174.700 0.057 0.000 0.980 292 T CA -0.324 61.799 62.100 0.040 0.000 1.012 292 T CB 1.884 70.771 68.868 0.032 0.000 0.936 292 T HN -0.037 nan 8.240 nan 0.000 0.457 293 T N 3.382 117.967 114.554 0.052 0.000 2.732 293 T HA -0.000 4.350 4.350 -0.000 0.000 0.261 293 T C 1.097 175.831 174.700 0.057 0.000 1.040 293 T CA 0.876 63.016 62.100 0.067 0.000 1.145 293 T CB -0.055 68.846 68.868 0.054 0.000 0.866 293 T HN 0.411 nan 8.240 nan 0.000 0.427 294 N N 1.135 119.853 118.700 0.029 0.000 2.434 294 N HA 0.373 5.113 4.740 -0.000 0.000 0.266 294 N C -0.734 174.781 175.510 0.008 0.000 1.223 294 N CA -0.705 52.348 53.050 0.006 0.000 0.972 294 N CB 0.342 38.813 38.487 -0.027 0.000 1.207 294 N HN 0.103 nan 8.380 nan 0.000 0.525 295 L N 1.080 122.297 121.223 -0.009 0.000 2.278 295 L HA 0.305 4.644 4.340 -0.000 0.000 0.287 295 L C -0.245 176.617 176.870 -0.012 0.000 1.072 295 L CA 0.007 54.844 54.840 -0.004 0.000 0.819 295 L CB -0.016 42.036 42.059 -0.012 0.000 1.176 295 L HN 0.336 nan 8.230 nan 0.000 0.435 296 R N 6.219 126.714 120.500 -0.008 0.000 2.393 296 R HA 0.683 5.023 4.340 -0.000 0.000 0.310 296 R C -1.251 175.055 176.300 0.010 0.000 0.968 296 R CA -0.763 55.327 56.100 -0.017 0.000 0.867 296 R CB 1.377 31.650 30.300 -0.045 0.000 1.124 296 R HN 0.617 nan 8.270 nan 0.000 0.450 297 L N 3.581 124.833 121.223 0.047 0.000 2.381 297 L HA 0.492 4.832 4.340 -0.000 0.000 0.268 297 L C -2.360 174.563 176.870 0.089 0.000 0.997 297 L CA -2.756 52.146 54.840 0.103 0.000 0.818 297 L CB 2.429 44.612 42.059 0.207 0.000 1.310 297 L HN 0.272 nan 8.230 nan 0.000 0.416 298 P HA -0.026 nan 4.420 nan 0.000 0.265 298 P C 0.300 177.686 177.300 0.143 0.000 1.187 298 P CA -0.060 63.101 63.100 0.103 0.000 0.766 298 P CB 0.675 32.470 31.700 0.159 0.000 0.820 299 K N 3.872 124.338 120.400 0.109 0.000 2.066 299 K HA -0.304 4.016 4.320 -0.000 0.000 0.221 299 K C 1.403 178.110 176.600 0.179 0.000 1.056 299 K CA 2.277 58.639 56.287 0.126 0.000 0.950 299 K CB -0.212 32.342 32.500 0.090 0.000 0.726 299 K HN 0.283 nan 8.250 nan 0.000 0.456 300 K N -0.113 120.362 120.400 0.125 0.000 2.097 300 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 300 K C 2.070 178.735 176.600 0.108 0.000 1.050 300 K CA 1.443 57.782 56.287 0.086 0.000 0.938 300 K CB 0.027 32.536 32.500 0.016 0.000 0.718 300 K HN 0.046 nan 8.250 nan 0.000 0.442 301 V N 0.979 120.982 119.914 0.147 0.000 2.358 301 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 301 V C 1.940 178.137 176.094 0.170 0.000 1.047 301 V CA 1.491 63.898 62.300 0.178 0.000 1.035 301 V CB -0.508 31.459 31.823 0.240 0.000 0.658 301 V HN 0.209 nan 8.190 nan 0.000 0.452 302 F N 1.361 121.347 119.950 0.059 0.000 2.126 302 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 302 F C 2.338 178.170 175.800 0.052 0.000 1.096 302 F CA 2.116 60.150 58.000 0.056 0.000 1.255 302 F CB -0.143 38.892 39.000 0.058 0.000 0.997 302 F HN 0.208 nan 8.300 nan 0.000 0.479 303 E N -0.014 120.252 120.200 0.109 0.000 2.072 303 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 303 E C 2.335 178.879 176.600 -0.094 0.000 0.985 303 E CA 0.972 57.364 56.400 -0.013 0.000 0.801 303 E CB -0.389 29.358 29.700 0.078 0.000 0.750 303 E HN 0.482 nan 8.360 nan 0.000 0.452 304 A N 1.118 123.916 122.820 -0.037 0.000 1.968 304 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 304 A C 2.273 179.810 177.584 -0.078 0.000 1.169 304 A CA 1.405 53.417 52.037 -0.042 0.000 0.638 304 A CB -0.349 18.657 19.000 0.009 0.000 0.812 304 A HN 0.279 nan 8.150 nan 0.000 0.446 305 A N -0.031 122.727 122.820 -0.102 0.000 1.898 305 A HA 0.076 4.396 4.320 -0.000 0.000 0.214 305 A C 2.287 179.764 177.584 -0.179 0.000 1.183 305 A CA 1.774 53.741 52.037 -0.117 0.000 0.622 305 A CB -1.111 17.830 19.000 -0.098 0.000 0.824 305 A HN 1.074 nan 8.150 nan 0.000 0.444 306 V N -1.197 118.519 119.914 -0.331 0.000 2.515 306 V HA -0.177 3.942 4.120 -0.000 0.000 0.250 306 V C 2.181 178.024 176.094 -0.419 0.000 1.058 306 V CA 2.410 64.466 62.300 -0.406 0.000 1.064 306 V CB -0.931 30.530 31.823 -0.603 0.000 0.675 306 V HN 0.560 nan 8.190 nan 0.000 0.461 307 K N 0.655 120.874 120.400 -0.302 0.000 2.032 307 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 307 K C 2.476 178.966 176.600 -0.183 0.000 1.048 307 K CA 1.893 58.039 56.287 -0.235 0.000 0.927 307 K CB -0.388 32.023 32.500 -0.149 0.000 0.712 307 K HN 0.518 nan 8.250 nan 0.000 0.441 308 S N 0.250 115.871 115.700 -0.132 0.000 2.387 308 S HA -0.020 4.450 4.470 -0.000 0.000 0.226 308 S C 1.838 176.412 174.600 -0.044 0.000 1.026 308 S CA 0.905 59.062 58.200 -0.070 0.000 0.972 308 S CB -0.172 63.003 63.200 -0.042 0.000 0.814 308 S HN 0.347 nan 8.310 nan 0.000 0.477 309 I N 0.822 121.360 120.570 -0.053 0.000 2.439 309 I HA -0.096 4.074 4.170 -0.000 0.000 0.251 309 I C 2.512 178.644 176.117 0.025 0.000 1.139 309 I CA 0.898 62.245 61.300 0.078 0.000 1.438 309 I CB -0.178 37.945 38.000 0.205 0.000 1.085 309 I HN 0.208 nan 8.210 nan 0.000 0.427 310 K N 0.982 121.227 120.400 -0.258 0.000 2.025 310 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 310 K C 2.310 178.874 176.600 -0.060 0.000 1.049 310 K CA 1.506 57.630 56.287 -0.271 0.000 0.933 310 K CB -0.223 31.970 32.500 -0.511 0.000 0.714 310 K HN 0.279 nan 8.250 nan 0.000 0.438 311 A N 1.408 124.182 122.820 -0.077 0.000 1.933 311 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 311 A C 2.322 179.898 177.584 -0.013 0.000 1.175 311 A CA 1.903 53.916 52.037 -0.040 0.000 0.628 311 A CB -0.611 18.362 19.000 -0.044 0.000 0.814 311 A HN 0.357 nan 8.150 nan 0.000 0.444 312 A N -0.001 122.821 122.820 0.004 0.000 1.969 312 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 312 A C 2.175 179.742 177.584 -0.027 0.000 1.169 312 A CA 1.994 54.036 52.037 0.010 0.000 0.635 312 A CB -0.611 18.422 19.000 0.055 0.000 0.810 312 A HN 1.071 nan 8.150 nan 0.000 0.445 313 S N -0.291 115.399 115.700 -0.018 0.000 2.582 313 S HA 0.106 4.576 4.470 -0.000 0.000 0.234 313 S C 1.293 175.922 174.600 0.048 0.000 0.961 313 S CA 0.592 58.745 58.200 -0.078 0.000 0.953 313 S CB -0.405 62.690 63.200 -0.176 0.000 0.800 313 S HN 0.701 nan 8.310 nan 0.000 0.471 314 S N 1.711 117.425 115.700 0.025 0.000 2.469 314 S HA -0.146 4.323 4.470 -0.000 0.000 0.238 314 S C 1.816 176.397 174.600 -0.033 0.000 0.998 314 S CA 1.230 59.438 58.200 0.013 0.000 0.957 314 S CB -1.470 61.727 63.200 -0.005 0.000 0.764 314 S HN 0.768 nan 8.310 nan 0.000 0.514 315 T N -0.670 113.856 114.554 -0.047 0.000 3.098 315 T HA 0.112 4.462 4.350 -0.000 0.000 0.266 315 T C 0.391 175.037 174.700 -0.091 0.000 1.145 315 T CA 0.359 62.423 62.100 -0.060 0.000 1.092 315 T CB -0.311 68.526 68.868 -0.052 0.000 0.908 315 T HN 0.517 nan 8.240 nan 0.000 0.526 316 E N 0.733 120.846 120.200 -0.144 0.000 2.288 316 E HA 0.512 4.862 4.350 -0.000 0.000 0.268 316 E C -0.899 175.333 176.600 -0.613 0.000 0.885 316 E CA -1.050 55.160 56.400 -0.316 0.000 0.767 316 E CB 1.639 31.196 29.700 -0.239 0.000 1.220 316 E HN -0.008 nan 8.360 nan 0.000 0.427 317 K N 1.903 121.902 120.400 -0.667 0.000 2.221 317 K HA 0.557 4.877 4.320 -0.000 0.000 0.258 317 K C -0.846 175.312 176.600 -0.736 0.000 0.944 317 K CA -0.524 55.438 56.287 -0.541 0.000 0.823 317 K CB 0.821 33.193 32.500 -0.212 0.000 1.113 317 K HN 0.358 nan 8.250 nan 0.000 0.431 318 F N 1.405 121.388 119.950 0.054 0.000 2.593 318 F HA 0.493 5.020 4.527 -0.000 0.000 0.320 318 F C -1.785 174.051 175.800 0.060 0.000 1.060 318 F CA -2.332 55.617 58.000 -0.085 0.000 0.940 318 F CB 0.685 39.467 39.000 -0.364 0.000 1.268 318 F HN 0.299 nan 8.300 nan 0.000 0.475 319 P HA 0.148 nan 4.420 nan 0.000 0.272 319 P C 0.099 177.584 177.300 0.307 0.000 1.230 319 P CA -0.170 63.048 63.100 0.198 0.000 0.788 319 P CB 0.778 32.553 31.700 0.124 0.000 0.949 320 D N 1.151 121.728 120.400 0.295 0.000 2.218 320 D HA -0.097 4.543 4.640 -0.000 0.000 0.204 320 D C 2.069 178.554 176.300 0.308 0.000 0.976 320 D CA 1.578 55.796 54.000 0.363 0.000 0.853 320 D CB -0.527 40.417 40.800 0.240 0.000 0.939 320 D HN 0.594 nan 8.370 nan 0.000 0.481 321 G N -0.049 108.877 108.800 0.210 0.000 2.448 321 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 321 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 321 G C 1.415 176.395 174.900 0.133 0.000 1.127 321 G CA 0.151 45.347 45.100 0.159 0.000 0.766 321 G HN 0.270 nan 8.290 nan 0.000 0.552 322 F N 0.388 120.304 119.950 -0.057 0.000 2.146 322 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 322 F C 2.108 177.746 175.800 -0.270 0.000 1.096 322 F CA 1.055 58.903 58.000 -0.254 0.000 1.275 322 F CB -0.257 38.421 39.000 -0.536 0.000 1.008 322 F HN 0.229 nan 8.300 nan 0.000 0.480 323 W N 0.371 121.611 121.300 -0.100 0.000 2.595 323 W HA 0.053 4.713 4.660 -0.000 0.000 0.257 323 W C 1.706 178.303 176.519 0.131 0.000 1.267 323 W CA 0.273 57.489 57.345 -0.215 0.000 1.300 323 W CB -0.379 29.026 29.460 -0.091 0.000 1.120 323 W HN -0.020 nan 8.180 nan 0.000 0.618 324 L N 0.302 121.700 121.223 0.292 0.000 2.591 324 L HA 0.273 4.613 4.340 -0.000 0.000 0.228 324 L C 1.884 178.859 176.870 0.174 0.000 1.133 324 L CA 0.688 55.682 54.840 0.256 0.000 0.880 324 L CB -0.795 41.372 42.059 0.180 0.000 1.033 324 L HN 0.240 nan 8.230 nan 0.000 0.450 325 G N 1.084 109.961 108.800 0.128 0.000 2.148 325 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.254 325 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.254 325 G C 0.717 175.639 174.900 0.036 0.000 0.981 325 G CA 0.687 45.827 45.100 0.067 0.000 0.670 325 G HN 0.662 nan 8.290 nan 0.000 0.528 326 E N -1.072 119.155 120.200 0.046 0.000 2.473 326 E HA 0.279 4.629 4.350 -0.000 0.000 0.204 326 E C 0.861 177.494 176.600 0.055 0.000 0.994 326 E CA -0.043 56.387 56.400 0.049 0.000 0.945 326 E CB 0.412 30.145 29.700 0.054 0.000 0.990 326 E HN 0.475 nan 8.360 nan 0.000 0.493 327 Q N 1.503 121.345 119.800 0.070 0.000 2.337 327 Q HA 0.442 4.782 4.340 -0.000 0.000 0.266 327 Q C -0.922 175.167 176.000 0.148 0.000 1.023 327 Q CA -0.900 54.960 55.803 0.094 0.000 0.829 327 Q CB 1.989 30.792 28.738 0.108 0.000 1.306 327 Q HN 0.299 nan 8.270 nan 0.000 0.449 328 L N -0.007 121.277 121.223 0.102 0.000 2.399 328 L HA 0.785 5.125 4.340 -0.000 0.000 0.266 328 L C -0.626 176.267 176.870 0.039 0.000 1.114 328 L CA -0.885 54.021 54.840 0.110 0.000 0.804 328 L CB 0.844 42.930 42.059 0.045 0.000 1.146 328 L HN 0.265 nan 8.230 nan 0.000 0.451 329 V N 0.932 120.831 119.914 -0.024 0.000 2.769 329 V HA 0.588 4.708 4.120 -0.000 0.000 0.312 329 V C -0.511 175.367 176.094 -0.359 0.000 1.061 329 V CA -0.265 61.839 62.300 -0.327 0.000 0.931 329 V CB 2.011 33.386 31.823 -0.746 0.000 1.010 329 V HN 1.070 nan 8.190 nan 0.000 0.433 330 C N 3.683 122.674 119.300 -0.514 0.000 2.712 330 C HA 0.716 5.176 4.460 -0.000 0.000 0.308 330 C C -1.030 173.653 174.990 -0.511 0.000 1.201 330 C CA -1.153 57.656 59.018 -0.349 0.000 1.554 330 C CB 1.679 29.311 27.740 -0.179 0.000 2.117 330 C HN 0.854 nan 8.230 nan 0.000 0.480 331 W N 0.742 122.059 121.300 0.029 0.000 2.950 331 W HA 0.389 5.049 4.660 -0.000 0.000 0.340 331 W C -0.472 176.050 176.519 0.005 0.000 1.139 331 W CA -0.512 56.841 57.345 0.013 0.000 1.188 331 W CB 1.092 30.558 29.460 0.009 0.000 1.426 331 W HN 0.686 nan 8.180 nan 0.000 0.531 332 Q N 1.271 121.210 119.800 0.232 0.000 2.304 332 Q HA 0.186 4.526 4.340 -0.000 0.000 0.301 332 Q C 0.488 176.570 176.000 0.136 0.000 1.063 332 Q CA 0.305 56.187 55.803 0.132 0.000 0.947 332 Q CB 0.625 29.423 28.738 0.100 0.000 1.201 332 Q HN 0.411 nan 8.270 nan 0.000 0.389 333 A N 2.097 124.973 122.820 0.093 0.000 2.580 333 A HA 0.282 4.602 4.320 -0.000 0.000 0.244 333 A C 1.317 178.952 177.584 0.085 0.000 1.045 333 A CA 0.828 52.917 52.037 0.086 0.000 0.761 333 A CB -0.626 18.407 19.000 0.054 0.000 0.962 333 A HN 1.053 nan 8.150 nan 0.000 0.512 334 G N 1.643 110.505 108.800 0.103 0.000 2.217 334 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.246 334 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.246 334 G C 0.936 175.876 174.900 0.066 0.000 0.990 334 G CA 1.159 46.317 45.100 0.096 0.000 0.627 334 G HN 2.144 nan 8.290 nan 0.000 0.522 335 T N -0.719 113.858 114.554 0.038 0.000 3.206 335 T HA 0.423 4.773 4.350 -0.000 0.000 0.253 335 T C 0.843 175.394 174.700 -0.249 0.000 1.042 335 T CA 0.934 63.012 62.100 -0.038 0.000 0.931 335 T CB 0.141 69.018 68.868 0.015 0.000 1.029 335 T HN 0.368 nan 8.240 nan 0.000 0.564 336 T N 6.066 120.414 114.554 -0.344 0.000 2.822 336 T HA 0.154 4.504 4.350 -0.000 0.000 0.288 336 T C -2.226 171.844 174.700 -1.051 0.000 0.991 336 T CA -0.512 61.016 62.100 -0.954 0.000 1.176 336 T CB 0.595 68.777 68.868 -1.143 0.000 0.951 336 T HN 0.281 nan 8.240 nan 0.000 0.526 337 P HA 0.151 nan 4.420 nan 0.000 0.231 337 P C 0.122 177.244 177.300 -0.298 0.000 1.811 337 P CA -0.416 62.359 63.100 -0.542 0.000 1.051 337 P CB -0.186 31.232 31.700 -0.469 0.000 1.951 338 W N 2.430 123.681 121.300 -0.081 0.000 2.342 338 W HA -0.246 4.414 4.660 -0.000 0.000 0.297 338 W C 2.178 178.767 176.519 0.116 0.000 1.213 338 W CA 1.385 58.750 57.345 0.034 0.000 1.251 338 W CB -1.320 28.137 29.460 -0.004 0.000 1.136 338 W HN 0.321 nan 8.180 nan 0.000 0.526 339 N N 1.731 120.598 118.700 0.279 0.000 2.258 339 N HA -0.230 4.510 4.740 -0.000 0.000 0.187 339 N C 1.585 177.152 175.510 0.095 0.000 1.012 339 N CA 1.858 55.010 53.050 0.170 0.000 0.870 339 N CB -1.001 37.535 38.487 0.082 0.000 0.977 339 N HN 0.398 nan 8.380 nan 0.000 0.434 340 I N -3.731 116.844 120.570 0.008 0.000 3.428 340 I HA 0.223 4.393 4.170 -0.000 0.000 0.286 340 I C -0.593 175.409 176.117 -0.192 0.000 1.287 340 I CA -0.184 61.039 61.300 -0.128 0.000 1.396 340 I CB -0.183 37.669 38.000 -0.246 0.000 1.062 340 I HN -0.128 nan 8.210 nan 0.000 0.471 341 F N 3.933 123.991 119.950 0.180 0.000 2.420 341 F HA 0.589 5.116 4.527 -0.000 0.000 0.342 341 F C -2.100 173.863 175.800 0.271 0.000 1.113 341 F CA -2.793 55.371 58.000 0.273 0.000 1.059 341 F CB 0.844 40.011 39.000 0.279 0.000 1.128 341 F HN -0.108 nan 8.300 nan 0.000 0.475 342 P HA 0.269 nan 4.420 nan 0.000 0.278 342 P C -0.848 176.679 177.300 0.378 0.000 1.258 342 P CA -0.374 62.924 63.100 0.330 0.000 0.811 342 P CB 1.676 33.519 31.700 0.238 0.000 1.063 343 V N -0.946 119.116 119.914 0.247 0.000 2.686 343 V HA 0.484 4.604 4.120 -0.000 0.000 0.295 343 V C 0.103 176.299 176.094 0.170 0.000 1.057 343 V CA -0.548 61.884 62.300 0.220 0.000 1.012 343 V CB 0.297 32.203 31.823 0.139 0.000 1.006 343 V HN 0.281 nan 8.190 nan 0.000 0.477 344 I N 3.099 123.760 120.570 0.152 0.000 2.406 344 I HA 0.427 4.597 4.170 -0.000 0.000 0.290 344 I C 0.146 176.260 176.117 -0.006 0.000 0.999 344 I CA -0.012 61.319 61.300 0.050 0.000 1.124 344 I CB 1.921 39.929 38.000 0.013 0.000 1.289 344 I HN 0.683 nan 8.210 nan 0.000 0.441 345 S N 7.059 122.725 115.700 -0.056 0.000 2.433 345 S HA 0.595 5.065 4.470 -0.000 0.000 0.310 345 S C -0.387 174.093 174.600 -0.200 0.000 1.097 345 S CA -0.568 57.535 58.200 -0.162 0.000 1.103 345 S CB 0.771 63.870 63.200 -0.169 0.000 0.992 345 S HN 0.342 nan 8.310 nan 0.000 0.469 346 L N 4.151 125.183 121.223 -0.319 0.000 2.287 346 L HA 0.482 4.822 4.340 -0.000 0.000 0.287 346 L C -1.226 175.350 176.870 -0.490 0.000 1.022 346 L CA -0.768 53.874 54.840 -0.331 0.000 0.814 346 L CB 0.676 42.536 42.059 -0.331 0.000 1.217 346 L HN 0.593 nan 8.230 nan 0.000 0.420 347 Y N 3.988 123.990 120.300 -0.496 0.000 2.326 347 Y HA 0.491 5.041 4.550 -0.000 0.000 0.337 347 Y C 0.111 175.678 175.900 -0.556 0.000 1.023 347 Y CA -0.337 57.421 58.100 -0.569 0.000 1.143 347 Y CB 1.156 39.331 38.460 -0.474 0.000 1.183 347 Y HN 0.368 nan 8.280 nan 0.000 0.485 348 L N 4.223 125.025 121.223 -0.702 0.000 2.334 348 L HA 0.482 4.822 4.340 -0.000 0.000 0.273 348 L C 0.099 176.736 176.870 -0.387 0.000 1.013 348 L CA -1.083 53.396 54.840 -0.601 0.000 0.816 348 L CB 1.714 43.253 42.059 -0.866 0.000 1.278 348 L HN 0.621 nan 8.230 nan 0.000 0.431 349 M N 1.499 121.031 119.600 -0.114 0.000 2.251 349 M HA 0.177 4.657 4.480 -0.000 0.000 0.343 349 M C 0.480 176.882 176.300 0.170 0.000 1.245 349 M CA 0.424 55.745 55.300 0.036 0.000 1.061 349 M CB 0.658 33.300 32.600 0.071 0.000 1.723 349 M HN 0.728 nan 8.290 nan 0.000 0.449 350 G N 3.264 112.213 108.800 0.249 0.000 2.532 350 G HA2 0.268 4.228 3.960 -0.000 0.000 0.291 350 G HA3 0.268 4.228 3.960 -0.000 0.000 0.291 350 G C -0.122 174.946 174.900 0.280 0.000 1.349 350 G CA -0.429 44.910 45.100 0.399 0.000 1.038 350 G HN 0.883 nan 8.290 nan 0.000 0.518 351 E N -1.680 118.677 120.200 0.262 0.000 2.474 351 E HA 0.170 4.520 4.350 -0.000 0.000 0.194 351 E C 0.049 176.724 176.600 0.124 0.000 1.041 351 E CA -0.003 56.495 56.400 0.163 0.000 0.874 351 E CB 0.852 30.624 29.700 0.120 0.000 0.914 351 E HN 0.030 nan 8.360 nan 0.000 0.498 352 V N 1.070 121.071 119.914 0.145 0.000 2.864 352 V HA 0.133 4.253 4.120 -0.000 0.000 0.314 352 V C 0.169 176.327 176.094 0.107 0.000 1.073 352 V CA -0.810 61.557 62.300 0.112 0.000 0.956 352 V CB 2.193 34.087 31.823 0.119 0.000 1.023 352 V HN 0.012 nan 8.190 nan 0.000 0.435 353 T N 3.670 118.273 114.554 0.080 0.000 2.905 353 T HA 0.004 4.354 4.350 -0.000 0.000 0.299 353 T C 0.807 175.553 174.700 0.077 0.000 1.024 353 T CA 1.140 63.281 62.100 0.070 0.000 1.151 353 T CB -0.570 68.329 68.868 0.052 0.000 0.987 353 T HN 0.891 nan 8.240 nan 0.000 0.535 354 N N 1.014 119.758 118.700 0.073 0.000 2.708 354 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 354 N C -0.209 175.360 175.510 0.098 0.000 1.097 354 N CA 0.307 53.401 53.050 0.073 0.000 0.710 354 N CB -0.346 38.176 38.487 0.058 0.000 1.032 354 N HN 0.573 nan 8.380 nan 0.000 0.551 355 Q N 1.186 121.062 119.800 0.126 0.000 2.337 355 Q HA 0.538 4.878 4.340 -0.000 0.000 0.270 355 Q C -1.000 175.123 176.000 0.206 0.000 1.043 355 Q CA -0.316 55.592 55.803 0.174 0.000 0.794 355 Q CB 2.074 30.930 28.738 0.197 0.000 1.281 355 Q HN 0.253 nan 8.270 nan 0.000 0.446 356 S N 2.544 118.381 115.700 0.227 0.000 2.775 356 S HA 0.915 5.385 4.470 -0.000 0.000 0.306 356 S C -0.678 174.074 174.600 0.253 0.000 1.153 356 S CA -0.630 57.684 58.200 0.190 0.000 0.867 356 S CB 1.413 64.659 63.200 0.076 0.000 1.198 356 S HN 0.601 nan 8.310 nan 0.000 0.523 357 F N -1.434 118.471 119.950 -0.075 0.000 2.662 357 F HA 0.856 5.383 4.527 -0.000 0.000 0.312 357 F C -0.883 174.589 175.800 -0.546 0.000 1.113 357 F CA -1.250 56.550 58.000 -0.332 0.000 0.951 357 F CB 1.387 40.034 39.000 -0.587 0.000 1.344 357 F HN 0.964 nan 8.300 nan 0.000 0.462 358 R N 2.412 122.500 120.500 -0.686 0.000 2.750 358 R HA 0.845 5.185 4.340 -0.000 0.000 0.281 358 R C -1.596 174.354 176.300 -0.584 0.000 0.972 358 R CA -0.918 54.578 56.100 -1.006 0.000 0.912 358 R CB 2.485 31.722 30.300 -1.771 0.000 1.187 358 R HN 1.011 nan 8.270 nan 0.000 0.464 359 I N -0.416 119.788 120.570 -0.611 0.000 2.404 359 I HA 0.494 4.664 4.170 -0.000 0.000 0.293 359 I C -1.001 174.952 176.117 -0.273 0.000 0.992 359 I CA -0.698 60.319 61.300 -0.471 0.000 1.149 359 I CB 2.476 39.976 38.000 -0.834 0.000 1.315 359 I HN 0.498 nan 8.210 nan 0.000 0.446 360 T N 7.221 121.763 114.554 -0.019 0.000 2.779 360 T HA 0.614 4.964 4.350 -0.000 0.000 0.280 360 T C -0.223 174.595 174.700 0.198 0.000 0.987 360 T CA -0.217 61.907 62.100 0.040 0.000 0.966 360 T CB 1.198 70.079 68.868 0.022 0.000 0.933 360 T HN 0.420 nan 8.240 nan 0.000 0.442 361 I N 3.680 124.344 120.570 0.156 0.000 2.354 361 I HA 0.396 4.566 4.170 -0.000 0.000 0.292 361 I C -0.101 176.121 176.117 0.175 0.000 0.989 361 I CA -0.660 60.757 61.300 0.194 0.000 1.188 361 I CB 1.256 39.385 38.000 0.215 0.000 1.342 361 I HN 0.353 nan 8.210 nan 0.000 0.457 362 L N 7.639 128.908 121.223 0.077 0.000 2.421 362 L HA 0.369 4.709 4.340 -0.000 0.000 0.263 362 L C -1.215 175.571 176.870 -0.140 0.000 1.122 362 L CA -1.518 53.324 54.840 0.003 0.000 0.804 362 L CB 0.823 42.822 42.059 -0.100 0.000 1.150 362 L HN 0.407 nan 8.230 nan 0.000 0.457 363 P HA -0.155 nan 4.420 nan 0.000 0.222 363 P C 0.838 177.822 177.300 -0.526 0.000 1.147 363 P CA 1.038 63.651 63.100 -0.812 0.000 0.790 363 P CB 0.284 31.866 31.700 -0.195 0.000 0.780 364 Q N -0.376 119.140 119.800 -0.474 0.000 2.364 364 Q HA -0.109 4.231 4.340 -0.000 0.000 0.207 364 Q C 2.321 178.196 176.000 -0.208 0.000 0.970 364 Q CA 1.303 56.791 55.803 -0.523 0.000 0.888 364 Q CB -0.480 27.824 28.738 -0.723 0.000 0.951 364 Q HN 0.452 nan 8.270 nan 0.000 0.469 365 Q N -1.300 118.393 119.800 -0.180 0.000 2.134 365 Q HA -0.063 4.277 4.340 -0.000 0.000 0.195 365 Q C 1.085 177.108 176.000 0.038 0.000 0.958 365 Q CA 1.003 56.786 55.803 -0.034 0.000 0.840 365 Q CB 0.142 28.895 28.738 0.024 0.000 0.918 365 Q HN 0.670 nan 8.270 nan 0.000 0.467 366 Y N -1.405 118.917 120.300 0.037 0.000 2.466 366 Y HA 0.365 4.915 4.550 0.000 0.000 0.272 366 Y C 0.140 176.050 175.900 0.018 0.000 1.169 366 Y CA -0.158 57.937 58.100 -0.008 0.000 1.285 366 Y CB 0.080 38.514 38.460 -0.045 0.000 1.078 366 Y HN -0.156 nan 8.280 nan 0.000 0.523 367 L N 3.154 124.366 121.223 -0.020 0.000 2.335 367 L HA 0.414 4.754 4.340 -0.000 0.000 0.268 367 L C -0.035 176.993 176.870 0.264 0.000 1.037 367 L CA -0.537 54.361 54.840 0.096 0.000 0.895 367 L CB 0.891 42.850 42.059 -0.166 0.000 1.266 367 L HN 0.129 nan 8.230 nan 0.000 0.439 368 R N 4.961 125.614 120.500 0.256 0.000 2.316 368 R HA 0.260 4.599 4.340 -0.000 0.000 0.314 368 R C -2.248 174.237 176.300 0.308 0.000 1.069 368 R CA -1.224 55.022 56.100 0.244 0.000 0.959 368 R CB 0.825 31.211 30.300 0.143 0.000 0.987 368 R HN 0.192 nan 8.270 nan 0.000 0.446 369 P HA 0.024 nan 4.420 nan 0.000 0.271 369 P C -0.783 176.511 177.300 -0.010 0.000 1.218 369 P CA -0.154 62.980 63.100 0.057 0.000 0.780 369 P CB 1.236 32.975 31.700 0.064 0.000 0.901 370 V N -0.518 119.337 119.914 -0.097 0.000 3.112 370 V HA 0.675 4.795 4.120 -0.000 0.000 0.310 370 V C -0.706 175.335 176.094 -0.090 0.000 1.364 370 V CA -1.041 61.223 62.300 -0.060 0.000 1.058 370 V CB 1.652 33.460 31.823 -0.024 0.000 1.079 370 V HN 0.367 nan 8.190 nan 0.000 0.463 371 E N -0.290 119.874 120.200 -0.061 0.000 2.316 371 E HA 0.535 4.885 4.350 -0.000 0.000 0.258 371 E C -0.868 175.702 176.600 -0.050 0.000 0.952 371 E CA -0.693 55.672 56.400 -0.059 0.000 0.818 371 E CB 0.732 30.405 29.700 -0.045 0.000 1.260 371 E HN 0.890 nan 8.360 nan 0.000 0.416 379 D N 0.574 120.982 120.400 0.014 0.000 2.313 379 D HA 0.422 5.062 4.640 -0.000 0.000 0.239 379 D C -0.343 175.842 176.300 -0.193 0.000 1.142 379 D CA 0.162 54.112 54.000 -0.083 0.000 0.847 379 D CB 0.642 41.491 40.800 0.081 0.000 1.082 379 D HN 0.255 nan 8.370 nan 0.000 0.480 380 C N 2.803 121.858 119.300 -0.410 0.000 2.454 380 C HA 0.677 5.137 4.460 -0.000 0.000 0.336 380 C C -0.521 174.129 174.990 -0.566 0.000 1.189 380 C CA -0.805 58.019 59.018 -0.324 0.000 1.877 380 C CB 0.109 27.752 27.740 -0.161 0.000 2.348 380 C HN 0.536 nan 8.230 nan 0.000 0.508 381 Y N -0.298 120.048 120.300 0.077 0.000 2.571 381 Y HA 0.541 5.090 4.550 -0.000 0.000 0.341 381 Y C -0.036 175.964 175.900 0.168 0.000 1.076 381 Y CA -0.873 57.306 58.100 0.132 0.000 1.029 381 Y CB 1.337 39.905 38.460 0.180 0.000 1.308 381 Y HN 0.477 nan 8.280 nan 0.000 0.461 382 K N 1.301 121.888 120.400 0.312 0.000 2.207 382 K HA 0.400 4.720 4.320 -0.000 0.000 0.255 382 K C -1.493 175.207 176.600 0.168 0.000 0.941 382 K CA -0.944 55.465 56.287 0.203 0.000 0.825 382 K CB 1.447 34.012 32.500 0.108 0.000 1.119 382 K HN 0.562 nan 8.250 nan 0.000 0.430 383 F N 2.442 122.223 119.950 -0.281 0.000 2.494 383 F HA 0.169 4.696 4.527 -0.000 0.000 0.369 383 F C 0.442 176.191 175.800 -0.084 0.000 1.098 383 F CA -0.536 57.255 58.000 -0.350 0.000 1.154 383 F CB 0.424 38.860 39.000 -0.939 0.000 1.103 383 F HN 0.596 nan 8.300 nan 0.000 0.549 384 A N 7.903 130.561 122.820 -0.272 0.000 2.579 384 A HA 0.380 4.700 4.320 -0.000 0.000 0.273 384 A C 0.130 177.527 177.584 -0.312 0.000 1.363 384 A CA -0.164 51.757 52.037 -0.193 0.000 0.953 384 A CB -1.165 17.821 19.000 -0.024 0.000 1.034 384 A HN 0.609 nan 8.150 nan 0.000 0.536 385 I N 0.555 120.734 120.570 -0.651 0.000 2.436 385 I HA 0.347 4.517 4.170 -0.000 0.000 0.289 385 I C -0.479 175.615 176.117 -0.039 0.000 1.010 385 I CA -0.242 60.826 61.300 -0.387 0.000 1.098 385 I CB 2.246 39.912 38.000 -0.557 0.000 1.266 385 I HN 0.126 nan 8.210 nan 0.000 0.434 386 S N 4.304 120.017 115.700 0.021 0.000 2.634 386 S HA 0.431 4.901 4.470 -0.000 0.000 0.296 386 S C -0.741 173.614 174.600 -0.408 0.000 1.104 386 S CA -0.805 57.326 58.200 -0.116 0.000 0.920 386 S CB 2.130 65.263 63.200 -0.112 0.000 1.111 386 S HN 0.595 nan 8.310 nan 0.000 0.493 387 Q N 0.889 120.168 119.800 -0.867 0.000 2.327 387 Q HA 0.495 4.835 4.340 -0.000 0.000 0.254 387 Q C -0.737 175.069 176.000 -0.323 0.000 0.952 387 Q CA -0.070 55.244 55.803 -0.815 0.000 0.884 387 Q CB 0.913 29.125 28.738 -0.877 0.000 1.224 387 Q HN 0.640 nan 8.270 nan 0.000 0.422 388 S N 0.717 116.302 115.700 -0.191 0.000 2.542 388 S HA 0.388 4.858 4.470 -0.000 0.000 0.293 388 S C -0.233 174.310 174.600 -0.094 0.000 1.089 388 S CA -0.392 57.736 58.200 -0.121 0.000 0.961 388 S CB 1.457 64.601 63.200 -0.092 0.000 1.062 388 S HN 0.677 nan 8.310 nan 0.000 0.483 389 S N 1.612 117.253 115.700 -0.098 0.000 2.602 389 S HA 0.208 4.678 4.470 -0.000 0.000 0.240 389 S C 0.511 175.013 174.600 -0.162 0.000 0.992 389 S CA 0.202 58.342 58.200 -0.101 0.000 0.971 389 S CB 0.287 63.446 63.200 -0.069 0.000 0.855 389 S HN 0.735 nan 8.310 nan 0.000 0.481 390 T N -0.001 114.454 114.554 -0.166 0.000 3.604 390 T HA 0.548 4.898 4.350 -0.000 0.000 0.305 390 T C 0.613 175.195 174.700 -0.197 0.000 0.978 390 T CA 0.616 62.603 62.100 -0.188 0.000 0.999 390 T CB -0.445 68.337 68.868 -0.143 0.000 1.204 390 T HN 1.421 nan 8.240 nan 0.000 0.476 391 G N 1.040 109.725 108.800 -0.192 0.000 2.728 391 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.294 391 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.294 391 G C -0.420 174.434 174.900 -0.075 0.000 1.342 391 G CA -0.472 44.550 45.100 -0.130 0.000 0.866 391 G HN 0.571 nan 8.290 nan 0.000 0.534 392 T N 0.255 114.790 114.554 -0.032 0.000 2.832 392 T HA 0.495 4.845 4.350 -0.000 0.000 0.296 392 T C 0.354 175.031 174.700 -0.039 0.000 0.968 392 T CA 0.049 62.142 62.100 -0.012 0.000 1.107 392 T CB 1.354 70.236 68.868 0.024 0.000 0.916 392 T HN 1.093 nan 8.240 nan 0.000 0.517 393 V N 5.325 125.219 119.914 -0.032 0.000 2.376 393 V HA 0.310 4.430 4.120 -0.000 0.000 0.287 393 V C 0.046 176.145 176.094 0.008 0.000 1.015 393 V CA -0.711 61.572 62.300 -0.028 0.000 0.834 393 V CB 1.248 33.045 31.823 -0.044 0.000 1.001 393 V HN 0.912 nan 8.190 nan 0.000 0.428 394 M N 4.613 124.232 119.600 0.032 0.000 2.383 394 M HA 0.354 4.834 4.480 -0.000 0.000 0.337 394 M C 1.033 177.383 176.300 0.083 0.000 1.422 394 M CA 0.261 55.595 55.300 0.056 0.000 1.333 394 M CB 0.425 33.067 32.600 0.070 0.000 1.488 394 M HN 0.802 nan 8.290 nan 0.000 0.454 395 G N 1.152 109.995 108.800 0.071 0.000 2.508 395 G HA2 0.469 4.429 3.960 -0.000 0.000 0.278 395 G HA3 0.469 4.429 3.960 -0.000 0.000 0.278 395 G C 0.889 175.853 174.900 0.107 0.000 1.389 395 G CA 0.008 45.157 45.100 0.081 0.000 1.050 395 G HN 0.737 nan 8.290 nan 0.000 0.522 396 A N -1.102 121.787 122.820 0.116 0.000 1.908 396 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 396 A C 2.595 180.266 177.584 0.144 0.000 1.181 396 A CA 3.094 55.218 52.037 0.144 0.000 0.627 396 A CB -1.026 18.116 19.000 0.236 0.000 0.818 396 A HN 1.332 nan 8.150 nan 0.000 0.445 397 V N -2.150 117.844 119.914 0.132 0.000 2.594 397 V HA -0.166 3.954 4.120 -0.000 0.000 0.253 397 V C 2.064 178.239 176.094 0.134 0.000 1.069 397 V CA 1.646 64.020 62.300 0.124 0.000 1.082 397 V CB -0.852 31.036 31.823 0.108 0.000 0.680 397 V HN 0.430 nan 8.190 nan 0.000 0.469 398 I N -0.074 120.586 120.570 0.149 0.000 2.333 398 I HA -0.072 4.098 4.170 -0.000 0.000 0.246 398 I C 2.632 178.934 176.117 0.309 0.000 1.106 398 I CA 1.800 63.221 61.300 0.202 0.000 1.411 398 I CB -0.803 37.285 38.000 0.146 0.000 1.082 398 I HN 0.347 nan 8.210 nan 0.000 0.420 399 M N 0.068 119.811 119.600 0.239 0.000 2.296 399 M HA -0.092 4.388 4.480 -0.000 0.000 0.265 399 M C 0.578 176.987 176.300 0.183 0.000 1.064 399 M CA 0.767 56.218 55.300 0.253 0.000 1.109 399 M CB -0.359 32.318 32.600 0.129 0.000 1.396 399 M HN 0.102 nan 8.290 nan 0.000 0.430 400 E N 0.521 120.773 120.200 0.087 0.000 2.465 400 E HA 0.079 4.429 4.350 -0.000 0.000 0.260 400 E C 1.028 177.524 176.600 -0.173 0.000 0.980 400 E CA 0.555 56.943 56.400 -0.021 0.000 0.927 400 E CB 0.240 29.955 29.700 0.026 0.000 0.934 400 E HN 0.507 nan 8.360 nan 0.000 0.459 401 G N 2.954 111.602 108.800 -0.252 0.000 2.184 401 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.264 401 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.264 401 G C -0.085 174.513 174.900 -0.504 0.000 0.975 401 G CA 0.042 44.885 45.100 -0.428 0.000 0.642 401 G HN 0.457 nan 8.290 nan 0.000 0.536 402 F N -1.082 118.871 119.950 0.005 0.000 2.538 402 F HA 0.669 5.196 4.527 0.000 0.000 0.325 402 F C 0.042 175.870 175.800 0.046 0.000 1.066 402 F CA -1.561 56.470 58.000 0.051 0.000 0.946 402 F CB 1.414 40.489 39.000 0.125 0.000 1.199 402 F HN 0.002 nan 8.300 nan 0.000 0.473 403 Y N 2.575 122.919 120.300 0.073 0.000 2.353 403 Y HA 0.615 5.165 4.550 0.000 0.000 0.340 403 Y C -1.034 174.697 175.900 -0.281 0.000 0.972 403 Y CA -1.432 56.602 58.100 -0.109 0.000 1.157 403 Y CB 0.809 39.190 38.460 -0.131 0.000 1.157 403 Y HN 0.262 nan 8.280 nan 0.000 0.495 404 V N 7.281 126.849 119.914 -0.576 0.000 2.384 404 V HA 0.395 4.515 4.120 -0.000 0.000 0.287 404 V C -0.607 174.883 176.094 -1.007 0.000 1.020 404 V CA -1.012 60.741 62.300 -0.912 0.000 0.850 404 V CB 1.350 32.691 31.823 -0.803 0.000 0.987 404 V HN 0.533 nan 8.190 nan 0.000 0.436 405 V N 5.496 124.749 119.914 -1.102 0.000 2.350 405 V HA 0.411 4.531 4.120 -0.000 0.000 0.276 405 V C -0.390 175.163 176.094 -0.901 0.000 1.028 405 V CA -0.300 61.486 62.300 -0.855 0.000 0.860 405 V CB 1.082 32.514 31.823 -0.650 0.000 0.990 405 V HN 0.721 nan 8.190 nan 0.000 0.453 406 F N 2.854 122.268 119.950 -0.892 0.000 2.499 406 F HA 0.272 4.799 4.527 -0.000 0.000 0.353 406 F C 0.826 176.256 175.800 -0.616 0.000 1.196 406 F CA -0.415 57.005 58.000 -0.967 0.000 1.244 406 F CB 0.369 38.261 39.000 -1.846 0.000 1.577 406 F HN 0.431 nan 8.300 nan 0.000 0.614 407 D N 2.695 122.964 120.400 -0.218 0.000 2.558 407 D HA 0.104 4.744 4.640 -0.000 0.000 0.221 407 D C 1.392 177.715 176.300 0.039 0.000 1.143 407 D CA 0.090 54.048 54.000 -0.070 0.000 1.010 407 D CB 0.261 41.038 40.800 -0.038 0.000 1.068 407 D HN 0.420 nan 8.370 nan 0.000 0.511 408 R N 1.593 122.152 120.500 0.099 0.000 2.081 408 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 408 R C 2.144 178.560 176.300 0.193 0.000 1.131 408 R CA 1.376 57.625 56.100 0.249 0.000 0.960 408 R CB -0.089 30.398 30.300 0.312 0.000 0.856 408 R HN 0.347 nan 8.270 nan 0.000 0.436 409 A N 1.216 124.121 122.820 0.141 0.000 1.940 409 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 409 A C 1.737 179.357 177.584 0.060 0.000 1.176 409 A CA 1.345 53.444 52.037 0.103 0.000 0.631 409 A CB -0.214 18.838 19.000 0.087 0.000 0.814 409 A HN 0.218 nan 8.150 nan 0.000 0.446 410 R N -1.247 119.272 120.500 0.032 0.000 2.468 410 R HA 0.173 4.513 4.340 -0.000 0.000 0.280 410 R C -0.507 175.799 176.300 0.010 0.000 0.963 410 R CA -0.039 56.056 56.100 -0.009 0.000 1.083 410 R CB 0.171 30.421 30.300 -0.084 0.000 1.200 410 R HN 0.452 nan 8.270 nan 0.000 0.541 411 K N 1.653 122.093 120.400 0.066 0.000 3.156 411 K HA -0.249 4.071 4.320 -0.000 0.000 0.266 411 K C -0.514 176.144 176.600 0.096 0.000 0.966 411 K CA 1.016 57.361 56.287 0.096 0.000 0.719 411 K CB -1.233 31.302 32.500 0.060 0.000 1.333 411 K HN 0.477 nan 8.250 nan 0.000 0.468 412 R N -0.735 119.818 120.500 0.089 0.000 2.764 412 R HA 0.729 5.069 4.340 -0.000 0.000 0.270 412 R C -0.982 175.370 176.300 0.087 0.000 1.014 412 R CA -1.161 55.006 56.100 0.112 0.000 0.904 412 R CB 1.415 31.755 30.300 0.067 0.000 1.236 412 R HN 0.061 nan 8.270 nan 0.000 0.466 413 I N 0.935 121.560 120.570 0.091 0.000 2.447 413 I HA 0.427 4.597 4.170 -0.000 0.000 0.287 413 I C -0.120 175.860 176.117 -0.227 0.000 1.023 413 I CA -0.859 60.309 61.300 -0.220 0.000 1.083 413 I CB 2.339 40.141 38.000 -0.331 0.000 1.245 413 I HN 0.886 nan 8.210 nan 0.000 0.434 414 G N 5.207 113.625 108.800 -0.637 0.000 2.389 414 G HA2 0.736 4.696 3.960 -0.000 0.000 0.328 414 G HA3 0.736 4.696 3.960 -0.000 0.000 0.328 414 G C -1.332 172.974 174.900 -0.990 0.000 1.133 414 G CA -0.221 44.231 45.100 -1.079 0.000 0.891 414 G HN 0.331 nan 8.290 nan 0.000 0.485 415 F N 0.312 119.887 119.950 -0.624 0.000 2.556 415 F HA 0.725 5.252 4.527 -0.000 0.000 0.314 415 F C 0.397 176.010 175.800 -0.313 0.000 1.106 415 F CA -0.539 57.214 58.000 -0.411 0.000 0.911 415 F CB 2.684 41.500 39.000 -0.307 0.000 1.190 415 F HN 0.730 nan 8.300 nan 0.000 0.448 416 A N 1.487 124.307 122.820 0.000 0.000 2.566 416 A HA 0.786 5.106 4.320 -0.000 0.000 0.292 416 A C -1.505 176.287 177.584 0.347 0.000 1.112 416 A CA -0.850 51.255 52.037 0.113 0.000 0.707 416 A CB 1.234 20.172 19.000 -0.103 0.000 1.302 416 A HN 0.444 nan 8.150 nan 0.000 0.409 417 V N 1.788 121.899 119.914 0.329 0.000 2.485 417 V HA 0.273 4.393 4.120 -0.000 0.000 0.287 417 V C 1.181 177.374 176.094 0.166 0.000 1.022 417 V CA 0.350 62.794 62.300 0.240 0.000 1.067 417 V CB 0.942 32.822 31.823 0.095 0.000 0.967 417 V HN 0.928 nan 8.190 nan 0.000 0.479 418 S N 4.186 119.931 115.700 0.074 0.000 2.593 418 S HA 0.387 4.857 4.470 -0.000 0.000 0.269 418 S C 1.419 176.010 174.600 -0.015 0.000 1.334 418 S CA 0.013 58.226 58.200 0.022 0.000 1.015 418 S CB 1.340 64.496 63.200 -0.073 0.000 0.912 418 S HN 0.956 nan 8.310 nan 0.000 0.541 419 A N 1.863 124.647 122.820 -0.060 0.000 2.015 419 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 419 A C 1.751 179.249 177.584 -0.143 0.000 1.163 419 A CA 1.329 53.336 52.037 -0.051 0.000 0.646 419 A CB -1.167 17.782 19.000 -0.085 0.000 0.806 419 A HN 1.219 nan 8.150 nan 0.000 0.448 420 c N 0.947 119.355 118.600 -0.320 0.000 2.534 420 c HA 0.477 5.047 4.570 -0.000 0.000 0.435 420 c C 0.708 174.154 174.090 -1.074 0.000 1.329 420 c CA -0.965 54.892 56.329 -0.787 0.000 1.675 420 c CB -2.517 39.610 42.510 -0.638 0.000 2.384 420 c HN 0.593 nan 8.230 nan 0.000 0.605 421 H N 0.023 118.643 119.070 -0.750 0.000 2.690 421 H HA 0.404 4.960 4.556 -0.000 0.000 0.365 421 H C 0.072 174.927 175.328 -0.789 0.000 1.142 421 H CA 0.114 55.775 56.048 -0.645 0.000 1.417 421 H CB 1.087 30.619 29.762 -0.383 0.000 1.446 421 H HN 0.523 nan 8.280 nan 0.000 0.599 422 V N 1.423 121.068 119.914 -0.449 0.000 2.508 422 V HA 0.143 4.263 4.120 -0.000 0.000 0.281 422 V C 0.011 175.966 176.094 -0.233 0.000 1.041 422 V CA -0.659 61.479 62.300 -0.270 0.000 1.016 422 V CB 0.366 32.078 31.823 -0.185 0.000 0.984 422 V HN 0.719 nan 8.190 nan 0.000 0.478 423 H N 3.556 122.620 119.070 -0.011 0.000 2.620 423 H HA 0.550 5.106 4.556 -0.000 0.000 0.313 423 H C -0.598 174.625 175.328 -0.176 0.000 1.075 423 H CA -0.088 55.920 56.048 -0.067 0.000 1.397 423 H CB 1.576 31.301 29.762 -0.062 0.000 1.446 423 H HN 1.003 nan 8.280 nan 0.000 0.493 424 D N 1.041 121.431 120.400 -0.017 0.000 2.457 424 D HA 0.120 4.760 4.640 -0.000 0.000 0.240 424 D C 0.949 177.185 176.300 -0.105 0.000 1.041 424 D CA -0.525 53.403 54.000 -0.120 0.000 0.861 424 D CB 1.925 42.667 40.800 -0.096 0.000 1.394 424 D HN 0.486 nan 8.370 nan 0.000 0.473 425 E N 1.500 121.578 120.200 -0.204 0.000 2.152 425 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 425 E C 0.547 176.744 176.600 -0.672 0.000 0.983 425 E CA 0.896 56.978 56.400 -0.529 0.000 0.818 425 E CB 0.190 29.378 29.700 -0.852 0.000 0.758 425 E HN 0.554 nan 8.360 nan 0.000 0.467 426 F N -0.949 119.021 119.950 0.032 0.000 2.728 426 F HA 0.315 4.842 4.527 -0.000 0.000 0.314 426 F C 0.663 176.484 175.800 0.035 0.000 1.094 426 F CA -0.324 57.697 58.000 0.035 0.000 1.217 426 F CB 0.798 39.822 39.000 0.040 0.000 1.056 426 F HN -0.341 nan 8.300 nan 0.000 0.577 427 R N -0.727 119.868 120.500 0.159 0.000 2.867 427 R HA 0.671 5.011 4.340 -0.000 0.000 0.268 427 R C -0.901 175.436 176.300 0.062 0.000 1.014 427 R CA -0.754 55.412 56.100 0.110 0.000 0.946 427 R CB 2.155 32.523 30.300 0.114 0.000 1.208 427 R HN -0.151 nan 8.270 nan 0.000 0.477 428 T N -0.307 114.277 114.554 0.049 0.000 2.933 428 T HA 0.594 4.944 4.350 -0.000 0.000 0.305 428 T C -0.955 173.753 174.700 0.013 0.000 1.092 428 T CA -0.489 61.627 62.100 0.027 0.000 1.008 428 T CB 1.429 70.304 68.868 0.011 0.000 1.102 428 T HN 0.692 nan 8.240 nan 0.000 0.469 429 A N 2.534 125.340 122.820 -0.024 0.000 2.520 429 A HA 0.704 5.024 4.320 -0.000 0.000 0.235 429 A C 0.587 178.198 177.584 0.045 0.000 1.065 429 A CA 0.309 52.330 52.037 -0.025 0.000 0.764 429 A CB -0.449 18.410 19.000 -0.235 0.000 1.002 429 A HN 1.652 nan 8.150 nan 0.000 0.502 430 A N 0.836 123.774 122.820 0.196 0.000 2.610 430 A HA 0.653 4.973 4.320 -0.000 0.000 0.291 430 A C -1.265 176.455 177.584 0.225 0.000 1.086 430 A CA -0.397 51.752 52.037 0.186 0.000 0.677 430 A CB 1.300 20.349 19.000 0.082 0.000 1.278 430 A HN 1.469 nan 8.150 nan 0.000 0.414 431 V N 1.502 121.510 119.914 0.157 0.000 2.447 431 V HA 0.518 4.638 4.120 -0.000 0.000 0.292 431 V C -0.596 175.482 176.094 -0.026 0.000 1.021 431 V CA -0.260 62.072 62.300 0.054 0.000 0.850 431 V CB 1.074 32.989 31.823 0.154 0.000 1.005 431 V HN 0.907 nan 8.190 nan 0.000 0.426 432 E N 2.435 122.522 120.200 -0.189 0.000 2.293 432 E HA 0.854 5.203 4.350 -0.000 0.000 0.270 432 E C 0.007 176.350 176.600 -0.429 0.000 0.879 432 E CA -0.631 55.653 56.400 -0.193 0.000 0.756 432 E CB 2.890 32.617 29.700 0.044 0.000 1.208 432 E HN 0.851 nan 8.360 nan 0.000 0.428 433 G N 1.682 110.106 108.800 -0.627 0.000 2.550 433 G HA2 0.498 4.458 3.960 -0.000 0.000 0.293 433 G HA3 0.498 4.458 3.960 -0.000 0.000 0.293 433 G C -2.891 171.836 174.900 -0.288 0.000 1.402 433 G CA -0.823 43.802 45.100 -0.793 0.000 0.784 433 G HN 0.376 nan 8.290 nan 0.000 0.482 434 P HA 0.746 nan 4.420 nan 0.000 0.282 434 P C -1.559 175.619 177.300 -0.203 0.000 1.259 434 P CA -0.500 62.555 63.100 -0.074 0.000 0.826 434 P CB 1.488 33.306 31.700 0.197 0.000 1.064 435 F N -0.773 119.176 119.950 -0.002 0.000 2.546 435 F HA 0.336 4.863 4.527 -0.000 0.000 0.320 435 F C 0.123 175.954 175.800 0.052 0.000 1.076 435 F CA -0.845 57.180 58.000 0.041 0.000 0.928 435 F CB 1.949 41.010 39.000 0.102 0.000 1.189 435 F HN 0.000 nan 8.300 nan 0.000 0.465 436 V N 0.589 120.623 119.914 0.199 0.000 2.509 436 V HA 0.730 4.850 4.120 -0.000 0.000 0.284 436 V C -0.312 175.847 176.094 0.110 0.000 1.047 436 V CA -0.669 61.707 62.300 0.126 0.000 0.952 436 V CB 0.931 32.798 31.823 0.074 0.000 0.988 436 V HN 0.829 nan 8.190 nan 0.000 0.469 437 T N 2.306 116.906 114.554 0.078 0.000 3.143 437 T HA 0.630 4.980 4.350 -0.000 0.000 0.312 437 T C -0.799 173.921 174.700 0.033 0.000 0.986 437 T CA -0.662 61.458 62.100 0.034 0.000 1.024 437 T CB 0.795 69.671 68.868 0.014 0.000 1.030 437 T HN 0.461 nan 8.240 nan 0.000 0.448 438 L N 2.591 123.826 121.223 0.019 0.000 2.418 438 L HA 0.407 4.747 4.340 -0.000 0.000 0.265 438 L C 0.197 177.076 176.870 0.016 0.000 1.143 438 L CA -0.520 54.331 54.840 0.019 0.000 0.809 438 L CB 0.138 42.205 42.059 0.013 0.000 1.124 438 L HN 0.776 nan 8.230 nan 0.000 0.456 439 D N 1.529 121.940 120.400 0.019 0.000 2.708 439 D HA -0.221 4.419 4.640 -0.000 0.000 0.236 439 D C 1.098 177.411 176.300 0.021 0.000 1.146 439 D CA 0.800 54.810 54.000 0.016 0.000 0.662 439 D CB -0.505 40.300 40.800 0.008 0.000 1.059 439 D HN 0.617 nan 8.370 nan 0.000 0.428 440 M N -0.634 118.984 119.600 0.030 0.000 2.296 440 M HA -0.165 4.315 4.480 -0.000 0.000 0.265 440 M C 2.030 178.355 176.300 0.042 0.000 1.064 440 M CA 1.257 56.579 55.300 0.037 0.000 1.109 440 M CB -0.042 32.585 32.600 0.045 0.000 1.396 440 M HN -0.082 nan 8.290 nan 0.000 0.430 441 E N 1.261 121.483 120.200 0.037 0.000 2.204 441 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 441 E C 0.951 177.571 176.600 0.032 0.000 0.989 441 E CA 1.318 57.740 56.400 0.036 0.000 0.824 441 E CB -0.137 29.580 29.700 0.028 0.000 0.756 441 E HN 0.611 nan 8.360 nan 0.000 0.477 442 D N -1.932 118.483 120.400 0.026 0.000 2.319 442 D HA -0.029 4.611 4.640 -0.000 0.000 0.230 442 D C 0.825 177.145 176.300 0.034 0.000 1.094 442 D CA 0.004 54.018 54.000 0.022 0.000 0.856 442 D CB -0.627 40.178 40.800 0.008 0.000 0.915 442 D HN 0.111 nan 8.370 nan 0.000 0.517 443 c N 0.230 118.859 118.600 0.048 0.000 2.495 443 c HA 0.330 4.900 4.570 -0.000 0.000 0.275 443 c C 1.635 175.787 174.090 0.103 0.000 1.392 443 c CA 0.211 56.580 56.329 0.066 0.000 1.766 443 c CB -1.063 41.494 42.510 0.078 0.000 1.933 443 c HN 0.520 nan 8.230 nan 0.000 0.519 444 G N -0.801 108.059 108.800 0.100 0.000 2.403 444 G HA2 0.376 4.336 3.960 -0.000 0.000 0.259 444 G HA3 0.376 4.336 3.960 -0.000 0.000 0.259 444 G C -0.901 174.096 174.900 0.161 0.000 1.244 444 G CA 0.047 45.227 45.100 0.133 0.000 0.849 444 G HN 0.399 nan 8.290 nan 0.000 0.532 445 Y N 2.061 122.417 120.300 0.093 0.000 2.299 445 Y HA 0.321 4.871 4.550 -0.000 0.000 0.326 445 Y C 0.005 175.956 175.900 0.085 0.000 1.164 445 Y CA -0.759 57.404 58.100 0.105 0.000 1.234 445 Y CB 1.143 39.703 38.460 0.166 0.000 1.219 445 Y HN 0.443 nan 8.280 nan 0.000 0.497 446 N N 7.277 125.637 118.700 -0.566 0.000 2.546 446 N HA 0.452 5.192 4.740 -0.000 0.000 0.238 446 N C -0.974 174.279 175.510 -0.428 0.000 0.984 446 N CA -0.017 52.812 53.050 -0.367 0.000 0.935 446 N CB 0.072 38.404 38.487 -0.258 0.000 1.122 446 N HN 0.690 nan 8.380 nan 0.000 0.510 447 I N 0.000 120.482 120.570 -0.146 0.000 2.984 447 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 447 I CA 0.000 61.295 61.300 -0.009 0.000 1.566 447 I CB 0.000 37.968 38.000 -0.054 0.000 1.214 447 I HN 0.000 nan 8.210 nan 0.000 0.494