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 1ym2_1_C DATA FIRST_RESID -2 DATA SEQUENCE SFVEMVDNLR GKSGQGYYVE MTVGSPPQTL NILVDTGSSN FAVGAAPHPF DATA SEQUENCE LHRYYQRQLS STYRDLRKGV YVPYTQGKWE GELGTDLVSI PHGPNVTVRA DATA SEQUENCE NIAAITESDK FFINGSNWEG ILGLAYAEIA RPDDSLEPFF DSLVKQTHVP DATA SEQUENCE NLFSLQLcGA XXXXXXXXXX XXVGGSMIIG GIDHSLYTGS LWYTPIRREW DATA SEQUENCE YYEVIIVRVE INGQDLKMDc KEYNYDKSIV DSGTTNLRLP KKVFEAAVKS DATA SEQUENCE IKAASSTEKF PDGFWLGEQL VcWQAGTTPW NIFPVISLYL MGEVTNQSFR DATA SEQUENCE ITILPQQYLR PVEDVATSQD DcYKFAISQS STGTVMGAVI MEGFYVVFDR DATA SEQUENCE ARKRIGFAVS AcHVHDEFRT AAVEGPFVTL DMEDcGYN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.361 174.600 -0.398 0.000 1.055 -2 S CA 0.000 57.925 58.200 -0.459 0.000 1.107 -2 S CB 0.000 63.082 63.200 -0.196 0.000 0.593 -1 F N 2.524 122.511 119.950 0.062 0.000 2.682 -1 F HA 0.316 4.844 4.527 0.002 0.000 0.308 -1 F C 1.914 177.755 175.800 0.068 0.000 1.093 -1 F CA -0.153 57.896 58.000 0.081 0.000 1.244 -1 F CB -0.091 38.975 39.000 0.111 0.000 1.052 -1 F HN 0.492 nan 8.300 nan 0.000 0.573 0 V N 0.803 120.809 119.914 0.152 0.000 2.469 0 V HA -0.277 3.844 4.120 0.002 0.000 0.251 0 V C 1.716 177.872 176.094 0.104 0.000 1.064 0 V CA 2.233 64.596 62.300 0.105 0.000 1.066 0 V CB -0.153 31.699 31.823 0.048 0.000 0.667 0 V HN 0.235 nan 8.190 nan 0.000 0.461 1 E N -0.493 119.777 120.200 0.115 0.000 2.418 1 E HA -0.065 4.286 4.350 0.002 0.000 0.197 1 E C 1.789 178.481 176.600 0.155 0.000 1.026 1 E CA 1.033 57.507 56.400 0.123 0.000 0.862 1 E CB -0.156 29.613 29.700 0.116 0.000 0.799 1 E HN 0.617 nan 8.360 nan 0.000 0.518 2 M N -0.267 119.434 119.600 0.167 0.000 2.367 2 M HA 0.115 4.596 4.480 0.002 0.000 0.256 2 M C 0.031 176.396 176.300 0.110 0.000 1.091 2 M CA -0.086 55.310 55.300 0.160 0.000 1.049 2 M CB 0.962 33.675 32.600 0.188 0.000 1.406 2 M HN -0.167 nan 8.290 nan 0.000 0.498 3 V N 2.600 122.570 119.914 0.094 0.000 2.763 3 V HA -0.099 4.022 4.120 0.002 0.000 0.306 3 V C 0.244 176.345 176.094 0.012 0.000 1.059 3 V CA 0.648 62.980 62.300 0.052 0.000 1.138 3 V CB 0.186 32.033 31.823 0.041 0.000 0.940 3 V HN 0.542 nan 8.190 nan 0.000 0.489 4 D N 2.595 122.994 120.400 -0.002 0.000 2.837 4 D HA -0.169 4.472 4.640 0.002 0.000 0.230 4 D C 0.786 177.054 176.300 -0.054 0.000 1.152 4 D CA 1.250 55.233 54.000 -0.028 0.000 0.736 4 D CB -1.006 39.770 40.800 -0.039 0.000 1.084 4 D HN 0.928 nan 8.370 nan 0.000 0.429 5 N N -0.035 118.651 118.700 -0.024 0.000 2.322 5 N HA 0.022 4.763 4.740 0.002 0.000 0.194 5 N C 0.201 175.704 175.510 -0.012 0.000 1.126 5 N CA 0.113 53.149 53.050 -0.023 0.000 0.845 5 N CB 0.225 38.755 38.487 0.071 0.000 0.976 5 N HN 0.350 nan 8.380 nan 0.000 0.475 6 L N -0.056 121.147 121.223 -0.034 0.000 2.333 6 L HA 0.586 4.927 4.340 0.002 0.000 0.269 6 L C 0.129 176.917 176.870 -0.137 0.000 1.010 6 L CA -0.929 53.871 54.840 -0.067 0.000 0.818 6 L CB 1.879 43.937 42.059 -0.002 0.000 1.306 6 L HN -0.054 nan 8.230 nan 0.000 0.430 7 R N 0.041 120.312 120.500 -0.382 0.000 2.855 7 R HA 0.847 5.189 4.340 0.002 0.000 0.266 7 R C -0.541 175.347 176.300 -0.687 0.000 1.034 7 R CA -0.466 55.339 56.100 -0.491 0.000 0.944 7 R CB 2.186 32.155 30.300 -0.551 0.000 1.219 7 R HN 0.853 nan 8.270 nan 0.000 0.474 8 G N 0.755 109.290 108.800 -0.441 0.000 2.422 8 G HA2 -0.043 3.918 3.960 0.002 0.000 0.607 8 G HA3 -0.043 3.918 3.960 0.002 0.000 0.607 8 G C -1.641 172.876 174.900 -0.639 0.000 1.270 8 G CA -0.551 44.306 45.100 -0.406 0.000 0.992 8 G HN 0.659 nan 8.290 nan 0.000 0.499 9 K N -2.068 117.903 120.400 -0.715 0.000 2.522 9 K HA 0.765 5.086 4.320 0.002 0.000 0.275 9 K C 1.391 177.685 176.600 -0.510 0.000 1.006 9 K CA -0.062 55.859 56.287 -0.610 0.000 0.890 9 K CB 1.451 33.831 32.500 -0.200 0.000 1.475 9 K HN 1.159 nan 8.250 nan 0.000 0.441 10 S N -0.153 115.489 115.700 -0.096 0.000 2.368 10 S HA -0.140 4.331 4.470 0.002 0.000 0.225 10 S C 1.955 176.584 174.600 0.048 0.000 1.030 10 S CA 1.298 59.570 58.200 0.119 0.000 0.999 10 S CB -1.048 62.255 63.200 0.172 0.000 0.844 10 S HN 0.805 nan 8.310 nan 0.000 0.459 11 G N 0.802 109.613 108.800 0.017 0.000 2.422 11 G HA2 -0.081 3.880 3.960 0.002 0.000 0.218 11 G HA3 -0.081 3.880 3.960 0.002 0.000 0.218 11 G C 1.403 176.322 174.900 0.030 0.000 1.146 11 G CA 0.665 45.780 45.100 0.025 0.000 0.769 11 G HN 0.660 nan 8.290 nan 0.000 0.547 12 Q N -0.517 119.297 119.800 0.023 0.000 2.159 12 Q HA 0.401 4.743 4.340 0.002 0.000 0.217 12 Q C 0.703 176.819 176.000 0.193 0.000 0.818 12 Q CA 0.082 55.949 55.803 0.108 0.000 1.008 12 Q CB 1.503 30.293 28.738 0.087 0.000 1.148 12 Q HN 0.480 nan 8.270 nan 0.000 0.491 13 G N 0.814 109.633 108.800 0.032 0.000 2.730 13 G HA2 -0.252 3.710 3.960 0.002 0.000 0.686 13 G HA3 -0.252 3.710 3.960 0.002 0.000 0.686 13 G C -1.317 173.509 174.900 -0.124 0.000 1.343 13 G CA -0.923 44.170 45.100 -0.013 0.000 0.826 13 G HN 0.153 nan 8.290 nan 0.000 0.582 14 Y N 0.040 120.300 120.300 -0.066 0.000 2.377 14 Y HA 0.693 5.245 4.550 0.002 0.000 0.339 14 Y C 0.611 176.453 175.900 -0.097 0.000 1.011 14 Y CA -0.314 57.723 58.100 -0.105 0.000 1.093 14 Y CB 1.958 40.351 38.460 -0.112 0.000 1.201 14 Y HN 0.823 nan 8.280 nan 0.000 0.455 15 Y N 0.153 120.485 120.300 0.053 0.000 2.576 15 Y HA 0.835 5.386 4.550 0.002 0.000 0.346 15 Y C -1.649 174.277 175.900 0.043 0.000 1.018 15 Y CA -1.716 56.385 58.100 0.001 0.000 1.050 15 Y CB 1.003 39.488 38.460 0.041 0.000 1.280 15 Y HN 0.437 nan 8.280 nan 0.000 0.474 16 V N 1.645 121.681 119.914 0.203 0.000 2.864 16 V HA 0.437 4.558 4.120 0.002 0.000 0.314 16 V C -0.786 175.424 176.094 0.193 0.000 1.073 16 V CA -0.828 61.556 62.300 0.140 0.000 0.956 16 V CB 1.821 33.670 31.823 0.045 0.000 1.023 16 V HN 0.999 nan 8.190 nan 0.000 0.435 17 E N 5.100 125.415 120.200 0.191 0.000 2.313 17 E HA 0.546 4.897 4.350 0.002 0.000 0.276 17 E C -0.872 175.775 176.600 0.078 0.000 1.031 17 E CA -0.319 56.179 56.400 0.163 0.000 0.857 17 E CB 1.024 30.843 29.700 0.198 0.000 1.040 17 E HN 0.710 nan 8.360 nan 0.000 0.408 18 M N 1.916 121.545 119.600 0.049 0.000 2.618 18 M HA 0.322 4.804 4.480 0.002 0.000 0.281 18 M C -0.898 175.411 176.300 0.017 0.000 1.267 18 M CA -0.919 54.380 55.300 -0.000 0.000 0.845 18 M CB 2.591 35.158 32.600 -0.054 0.000 1.732 18 M HN 0.599 nan 8.290 nan 0.000 0.461 19 T N -0.342 114.217 114.554 0.009 0.000 2.876 19 T HA 0.850 5.201 4.350 0.002 0.000 0.289 19 T C -0.773 173.944 174.700 0.027 0.000 1.014 19 T CA -0.793 61.319 62.100 0.020 0.000 0.986 19 T CB 1.593 70.472 68.868 0.019 0.000 1.021 19 T HN 0.708 nan 8.240 nan 0.000 0.458 20 V N -1.169 118.755 119.914 0.015 0.000 2.841 20 V HA 0.994 5.115 4.120 0.002 0.000 0.310 20 V C 0.419 176.560 176.094 0.078 0.000 1.090 20 V CA 0.066 62.364 62.300 -0.003 0.000 0.930 20 V CB 0.692 32.373 31.823 -0.236 0.000 1.014 20 V HN 2.044 nan 8.190 nan 0.000 0.425 21 G N 2.853 111.736 108.800 0.138 0.000 2.757 21 G HA2 0.190 4.151 3.960 0.002 0.000 0.638 21 G HA3 0.190 4.151 3.960 0.002 0.000 0.638 21 G C -0.433 174.544 174.900 0.129 0.000 1.344 21 G CA -0.300 44.917 45.100 0.196 0.000 0.855 21 G HN 1.867 nan 8.290 nan 0.000 0.537 22 S N 2.231 118.003 115.700 0.120 0.000 2.733 22 S HA 0.684 5.155 4.470 0.002 0.000 0.294 22 S C -2.237 172.404 174.600 0.068 0.000 1.149 22 S CA -0.517 57.733 58.200 0.082 0.000 1.034 22 S CB 2.787 66.032 63.200 0.076 0.000 1.015 22 S HN 0.828 nan 8.310 nan 0.000 0.486 23 P HA 0.252 nan 4.420 nan 0.000 0.270 23 P C -2.900 174.432 177.300 0.053 0.000 1.223 23 P CA -1.438 61.688 63.100 0.044 0.000 0.785 23 P CB -0.782 30.935 31.700 0.029 0.000 0.923 24 P HA 0.072 nan 4.420 nan 0.000 0.261 24 P C -0.457 176.869 177.300 0.044 0.000 1.183 24 P CA 0.727 63.855 63.100 0.047 0.000 0.761 24 P CB 0.128 31.846 31.700 0.031 0.000 0.785 25 Q N 1.719 121.553 119.800 0.056 0.000 2.347 25 Q HA 0.279 4.620 4.340 0.002 0.000 0.262 25 Q C -0.314 175.706 176.000 0.034 0.000 0.980 25 Q CA -0.437 55.397 55.803 0.050 0.000 0.867 25 Q CB 1.063 29.860 28.738 0.099 0.000 1.242 25 Q HN 0.359 nan 8.270 nan 0.000 0.453 26 T N 3.895 118.464 114.554 0.024 0.000 2.851 26 T HA 0.455 4.806 4.350 0.002 0.000 0.298 26 T C -0.162 174.554 174.700 0.027 0.000 0.977 26 T CA -0.018 62.098 62.100 0.027 0.000 1.126 26 T CB 0.256 69.141 68.868 0.029 0.000 0.916 26 T HN 0.344 nan 8.240 nan 0.000 0.529 27 L N 3.103 124.348 121.223 0.036 0.000 2.465 27 L HA 0.479 4.820 4.340 0.002 0.000 0.257 27 L C -0.526 176.380 176.870 0.061 0.000 0.988 27 L CA -1.265 53.597 54.840 0.037 0.000 0.827 27 L CB 2.189 44.268 42.059 0.033 0.000 1.397 27 L HN 0.445 nan 8.230 nan 0.000 0.410 28 N N 2.645 121.371 118.700 0.043 0.000 2.426 28 N HA 0.488 5.229 4.740 0.002 0.000 0.275 28 N C -1.017 174.567 175.510 0.124 0.000 1.019 28 N CA -0.371 52.718 53.050 0.065 0.000 0.941 28 N CB 1.889 40.260 38.487 -0.194 0.000 1.123 28 N HN 0.299 nan 8.380 nan 0.000 0.486 29 I N 2.597 123.264 120.570 0.162 0.000 2.389 29 I HA 0.285 4.456 4.170 0.002 0.000 0.288 29 I C 0.410 176.549 176.117 0.037 0.000 0.999 29 I CA -0.815 60.558 61.300 0.122 0.000 1.129 29 I CB 1.431 39.499 38.000 0.113 0.000 1.288 29 I HN 0.307 nan 8.210 nan 0.000 0.444 30 L N 7.056 128.161 121.223 -0.197 0.000 2.453 30 L HA 0.220 4.562 4.340 0.002 0.000 0.272 30 L C -0.268 176.449 176.870 -0.254 0.000 1.182 30 L CA -0.088 54.490 54.840 -0.437 0.000 0.858 30 L CB 0.888 42.203 42.059 -1.240 0.000 1.120 30 L HN 0.324 nan 8.230 nan 0.000 0.474 31 V N 4.692 124.501 119.914 -0.175 0.000 2.389 31 V HA 0.163 4.284 4.120 0.002 0.000 0.264 31 V C -0.370 175.629 176.094 -0.160 0.000 1.049 31 V CA -0.136 62.067 62.300 -0.162 0.000 0.932 31 V CB 0.939 32.679 31.823 -0.139 0.000 1.011 31 V HN 0.724 nan 8.190 nan 0.000 0.475 32 D N 3.138 123.452 120.400 -0.143 0.000 2.454 32 D HA 0.255 4.896 4.640 0.002 0.000 0.247 32 D C 1.129 177.406 176.300 -0.039 0.000 1.129 32 D CA -0.225 53.724 54.000 -0.085 0.000 0.877 32 D CB 1.595 42.355 40.800 -0.067 0.000 1.082 32 D HN 0.583 nan 8.370 nan 0.000 0.537 33 T N -0.161 114.374 114.554 -0.031 0.000 3.160 33 T HA 0.125 4.476 4.350 0.002 0.000 0.257 33 T C 1.574 176.407 174.700 0.222 0.000 1.147 33 T CA 0.230 62.371 62.100 0.068 0.000 1.064 33 T CB 0.224 69.049 68.868 -0.072 0.000 0.949 33 T HN 0.302 nan 8.240 nan 0.000 0.526 34 G N 0.910 109.806 108.800 0.160 0.000 3.088 34 G HA2 0.412 4.373 3.960 0.002 0.000 0.217 34 G HA3 0.412 4.373 3.960 0.002 0.000 0.217 34 G C 0.360 175.394 174.900 0.223 0.000 1.159 34 G CA 0.132 45.366 45.100 0.224 0.000 0.760 34 G HN 0.760 nan 8.290 nan 0.000 0.550 35 S N -1.947 113.841 115.700 0.147 0.000 2.671 35 S HA 0.638 5.109 4.470 0.002 0.000 0.277 35 S C -0.038 174.599 174.600 0.061 0.000 1.165 35 S CA -0.286 57.987 58.200 0.121 0.000 0.822 35 S CB 1.833 65.220 63.200 0.312 0.000 1.150 35 S HN -0.066 nan 8.310 nan 0.000 0.479 36 S N 0.163 115.892 115.700 0.050 0.000 2.819 36 S HA 0.377 4.848 4.470 0.002 0.000 0.249 36 S C -0.536 174.142 174.600 0.129 0.000 1.030 36 S CA -0.463 57.770 58.200 0.056 0.000 1.052 36 S CB -0.402 62.802 63.200 0.006 0.000 1.017 36 S HN 0.678 nan 8.310 nan 0.000 0.576 37 N N 1.340 120.153 118.700 0.188 0.000 2.399 37 N HA 0.482 5.223 4.740 0.002 0.000 0.295 37 N C -1.316 174.402 175.510 0.346 0.000 1.048 37 N CA -0.441 52.768 53.050 0.266 0.000 0.886 37 N CB 1.065 39.733 38.487 0.302 0.000 1.185 37 N HN 0.294 nan 8.380 nan 0.000 0.487 38 F N 2.106 122.145 119.950 0.148 0.000 2.385 38 F HA 0.703 5.231 4.527 0.002 0.000 0.360 38 F C -0.457 175.369 175.800 0.044 0.000 1.122 38 F CA -0.594 57.448 58.000 0.070 0.000 1.090 38 F CB 0.355 39.386 39.000 0.052 0.000 1.150 38 F HN 0.472 nan 8.300 nan 0.000 0.472 39 A N 5.474 128.095 122.820 -0.332 0.000 2.498 39 A HA 0.814 5.135 4.320 0.002 0.000 0.298 39 A C -1.459 175.804 177.584 -0.534 0.000 1.075 39 A CA -0.490 51.212 52.037 -0.558 0.000 0.714 39 A CB 1.821 20.362 19.000 -0.764 0.000 1.299 39 A HN 1.083 nan 8.150 nan 0.000 0.407 40 V N -1.207 118.430 119.914 -0.463 0.000 2.971 40 V HA 0.904 5.025 4.120 0.002 0.000 0.309 40 V C 0.322 176.392 176.094 -0.040 0.000 1.130 40 V CA -0.282 61.899 62.300 -0.199 0.000 0.964 40 V CB 1.219 32.880 31.823 -0.270 0.000 1.029 40 V HN 1.825 nan 8.190 nan 0.000 0.427 41 G N 1.311 110.184 108.800 0.123 0.000 2.305 41 G HA2 0.517 4.479 3.960 0.002 0.000 0.243 41 G HA3 0.517 4.479 3.960 0.002 0.000 0.243 41 G C 0.568 175.523 174.900 0.092 0.000 1.288 41 G CA 0.210 45.361 45.100 0.086 0.000 0.901 41 G HN 1.949 nan 8.290 nan 0.000 0.516 42 A N 1.493 124.314 122.820 0.001 0.000 2.603 42 A HA 0.778 5.100 4.320 0.002 0.000 0.277 42 A C 0.797 178.219 177.584 -0.270 0.000 1.158 42 A CA 0.782 52.825 52.037 0.011 0.000 0.962 42 A CB 0.229 19.227 19.000 -0.004 0.000 1.189 42 A HN 1.796 nan 8.150 nan 0.000 0.552 43 A N 0.072 122.554 122.820 -0.563 0.000 2.572 43 A HA 0.740 5.061 4.320 0.002 0.000 0.295 43 A C -3.259 173.765 177.584 -0.934 0.000 1.072 43 A CA -1.500 50.062 52.037 -0.790 0.000 0.691 43 A CB 0.592 19.400 19.000 -0.319 0.000 1.291 43 A HN 0.016 nan 8.150 nan 0.000 0.404 44 P HA 0.206 nan 4.420 nan 0.000 0.266 44 P C -0.757 176.446 177.300 -0.162 0.000 1.193 44 P CA 0.737 63.616 63.100 -0.369 0.000 0.770 44 P CB 0.173 31.784 31.700 -0.148 0.000 0.836 45 H N 2.489 121.443 119.070 -0.193 0.000 3.123 45 H HA 0.164 4.721 4.556 0.002 0.000 0.346 45 H C -2.273 172.960 175.328 -0.159 0.000 1.138 45 H CA -1.632 54.297 56.048 -0.198 0.000 1.273 45 H CB 1.769 31.369 29.762 -0.269 0.000 1.926 45 H HN 0.139 nan 8.280 nan 0.000 0.524 46 P HA -0.136 nan 4.420 nan 0.000 0.218 46 P C 0.954 178.378 177.300 0.208 0.000 1.154 46 P CA 1.652 64.631 63.100 -0.202 0.000 0.872 46 P CB -0.043 31.351 31.700 -0.511 0.000 0.790 47 F N -2.106 117.982 119.950 0.231 0.000 2.732 47 F HA 0.181 4.709 4.527 0.002 0.000 0.303 47 F C 0.788 176.461 175.800 -0.210 0.000 1.110 47 F CA -0.620 57.391 58.000 0.018 0.000 1.355 47 F CB 0.120 39.130 39.000 0.016 0.000 1.081 47 F HN -0.183 nan 8.300 nan 0.000 0.565 48 L N -0.026 121.211 121.223 0.022 0.000 2.305 48 L HA 0.293 4.634 4.340 0.002 0.000 0.284 48 L C 0.695 177.607 176.870 0.070 0.000 1.013 48 L CA -0.467 54.284 54.840 -0.149 0.000 0.819 48 L CB 1.459 43.363 42.059 -0.259 0.000 1.227 48 L HN 0.181 nan 8.230 nan 0.000 0.417 49 H N 2.824 121.855 119.070 -0.064 0.000 2.525 49 H HA 0.113 4.670 4.556 0.002 0.000 0.275 49 H C 0.118 175.422 175.328 -0.039 0.000 0.984 49 H CA -0.024 55.999 56.048 -0.041 0.000 1.264 49 H CB 0.546 30.273 29.762 -0.059 0.000 1.432 49 H HN 0.508 nan 8.280 nan 0.000 0.549 50 R N -0.289 120.255 120.500 0.074 0.000 2.716 50 R HA 0.349 4.690 4.340 0.002 0.000 0.271 50 R C -1.991 174.331 176.300 0.036 0.000 1.028 50 R CA -1.034 55.054 56.100 -0.020 0.000 0.883 50 R CB 1.460 31.733 30.300 -0.046 0.000 1.250 50 R HN 0.049 nan 8.270 nan 0.000 0.465 51 Y N -1.833 118.449 120.300 -0.030 0.000 2.670 51 Y HA 0.481 5.033 4.550 0.002 0.000 0.334 51 Y C -1.647 174.283 175.900 0.050 0.000 1.185 51 Y CA -1.763 56.325 58.100 -0.021 0.000 1.053 51 Y CB 0.632 39.055 38.460 -0.061 0.000 1.298 51 Y HN 0.601 nan 8.280 nan 0.000 0.459 52 Y N 3.143 123.530 120.300 0.146 0.000 2.496 52 Y HA 0.300 4.852 4.550 0.002 0.000 0.334 52 Y C -0.552 175.402 175.900 0.090 0.000 1.080 52 Y CA -0.624 57.498 58.100 0.038 0.000 1.355 52 Y CB 0.656 39.103 38.460 -0.021 0.000 1.193 52 Y HN 0.655 nan 8.280 nan 0.000 0.523 53 Q N 7.391 127.086 119.800 -0.175 0.000 2.462 53 Q HA 0.283 4.624 4.340 0.002 0.000 0.247 53 Q C 0.829 176.510 176.000 -0.532 0.000 1.044 53 Q CA -0.506 55.133 55.803 -0.272 0.000 0.803 53 Q CB 1.168 29.805 28.738 -0.168 0.000 1.190 53 Q HN 0.801 nan 8.270 nan 0.000 0.507 54 R N 0.977 120.976 120.500 -0.834 0.000 2.120 54 R HA -0.169 4.172 4.340 0.002 0.000 0.234 54 R C 1.381 177.430 176.300 -0.419 0.000 1.123 54 R CA 1.402 56.934 56.100 -0.946 0.000 0.975 54 R CB 0.161 29.663 30.300 -1.330 0.000 0.866 54 R HN 0.589 nan 8.270 nan 0.000 0.446 55 Q N 0.154 119.802 119.800 -0.253 0.000 2.515 55 Q HA -0.018 4.323 4.340 0.002 0.000 0.212 55 Q C 1.178 177.144 176.000 -0.057 0.000 0.970 55 Q CA 0.609 56.354 55.803 -0.098 0.000 0.941 55 Q CB 0.276 28.974 28.738 -0.067 0.000 0.998 55 Q HN 0.399 nan 8.270 nan 0.000 0.518 56 L N -0.656 120.519 121.223 -0.081 0.000 2.693 56 L HA 0.205 4.546 4.340 0.002 0.000 0.235 56 L C 0.546 177.422 176.870 0.009 0.000 1.127 56 L CA -0.214 54.607 54.840 -0.033 0.000 0.914 56 L CB 0.801 42.833 42.059 -0.045 0.000 1.193 56 L HN -0.122 nan 8.230 nan 0.000 0.502 57 S N -0.500 115.216 115.700 0.027 0.000 2.456 57 S HA 0.214 4.685 4.470 0.002 0.000 0.316 57 S C 1.128 175.808 174.600 0.133 0.000 1.089 57 S CA -0.469 57.793 58.200 0.104 0.000 1.101 57 S CB 1.358 64.666 63.200 0.180 0.000 0.995 57 S HN 0.289 nan 8.310 nan 0.000 0.468 58 S N 2.858 118.621 115.700 0.106 0.000 2.489 58 S HA -0.062 4.409 4.470 0.002 0.000 0.228 58 S C 1.371 176.032 174.600 0.102 0.000 0.995 58 S CA 0.945 59.200 58.200 0.092 0.000 0.934 58 S CB -0.603 62.635 63.200 0.063 0.000 0.771 58 S HN 0.839 nan 8.310 nan 0.000 0.522 59 T N -2.213 112.419 114.554 0.131 0.000 3.069 59 T HA 0.227 4.578 4.350 0.002 0.000 0.252 59 T C 0.241 175.037 174.700 0.161 0.000 1.053 59 T CA -0.581 61.592 62.100 0.121 0.000 0.964 59 T CB -0.646 68.289 68.868 0.112 0.000 1.005 59 T HN 0.423 nan 8.240 nan 0.000 0.532 60 Y N 3.249 123.605 120.300 0.093 0.000 2.497 60 Y HA 0.433 4.984 4.550 0.002 0.000 0.334 60 Y C 0.054 176.001 175.900 0.079 0.000 1.199 60 Y CA -1.176 56.991 58.100 0.111 0.000 1.425 60 Y CB 0.448 38.966 38.460 0.097 0.000 1.291 60 Y HN 0.053 nan 8.280 nan 0.000 0.562 61 R N 4.688 124.718 120.500 -0.783 0.000 2.538 61 R HA 0.178 4.519 4.340 0.002 0.000 0.292 61 R C -1.560 174.237 176.300 -0.838 0.000 1.008 61 R CA -1.022 54.665 56.100 -0.688 0.000 0.896 61 R CB 1.396 31.551 30.300 -0.241 0.000 1.187 61 R HN 0.663 nan 8.270 nan 0.000 0.440 62 D N 3.144 123.142 120.400 -0.670 0.000 2.308 62 D HA 0.089 4.731 4.640 0.002 0.000 0.251 62 D C 0.582 176.829 176.300 -0.088 0.000 1.127 62 D CA -0.072 53.780 54.000 -0.247 0.000 0.876 62 D CB 1.336 42.098 40.800 -0.064 0.000 1.176 62 D HN 0.493 nan 8.370 nan 0.000 0.446 63 L N 3.748 124.974 121.223 0.006 0.000 2.592 63 L HA 0.151 4.492 4.340 0.002 0.000 0.227 63 L C 0.835 177.727 176.870 0.035 0.000 1.127 63 L CA -0.126 54.727 54.840 0.023 0.000 0.884 63 L CB -0.036 42.055 42.059 0.055 0.000 1.065 63 L HN 0.383 nan 8.230 nan 0.000 0.457 64 R N 1.120 121.646 120.500 0.043 0.000 3.225 64 R HA -0.219 4.122 4.340 0.002 0.000 0.245 64 R C -0.064 176.266 176.300 0.049 0.000 0.928 64 R CA 0.654 56.781 56.100 0.046 0.000 0.632 64 R CB -1.868 28.448 30.300 0.028 0.000 1.038 64 R HN 0.327 nan 8.270 nan 0.000 0.461 65 K N -0.182 120.257 120.400 0.064 0.000 2.557 65 K HA 0.410 4.731 4.320 0.002 0.000 0.257 65 K C -0.117 176.532 176.600 0.083 0.000 0.933 65 K CA -0.034 56.291 56.287 0.064 0.000 0.820 65 K CB 1.900 34.435 32.500 0.058 0.000 1.330 65 K HN 0.183 nan 8.250 nan 0.000 0.432 66 G N 1.202 110.048 108.800 0.077 0.000 2.562 66 G HA2 0.564 4.525 3.960 0.002 0.000 0.275 66 G HA3 0.564 4.525 3.960 0.002 0.000 0.275 66 G C -1.202 173.764 174.900 0.110 0.000 1.196 66 G CA -0.460 44.698 45.100 0.097 0.000 0.908 66 G HN 0.427 nan 8.290 nan 0.000 0.524 67 V N 0.116 120.119 119.914 0.148 0.000 3.000 67 V HA 0.647 4.768 4.120 0.002 0.000 0.300 67 V C -2.134 174.046 176.094 0.143 0.000 1.251 67 V CA -0.929 61.454 62.300 0.138 0.000 0.972 67 V CB 1.970 33.895 31.823 0.170 0.000 1.065 67 V HN 0.914 nan 8.190 nan 0.000 0.431 68 Y N 5.437 125.647 120.300 -0.152 0.000 2.361 68 Y HA 0.815 5.366 4.550 0.002 0.000 0.337 68 Y C -1.387 174.165 175.900 -0.579 0.000 0.965 68 Y CA -0.825 57.083 58.100 -0.321 0.000 1.091 68 Y CB 2.195 40.535 38.460 -0.200 0.000 1.182 68 Y HN 0.458 nan 8.280 nan 0.000 0.450 69 V N 9.075 127.967 119.914 -1.704 0.000 2.447 69 V HA 0.493 4.614 4.120 0.002 0.000 0.292 69 V C -2.512 172.486 176.094 -1.826 0.000 1.021 69 V CA -1.570 59.677 62.300 -1.755 0.000 0.850 69 V CB 1.764 32.524 31.823 -1.772 0.000 1.005 69 V HN 0.697 nan 8.190 nan 0.000 0.426 70 P HA 0.577 nan 4.420 nan 0.000 0.293 70 P C -1.794 175.035 177.300 -0.786 0.000 1.291 70 P CA -0.523 62.051 63.100 -0.877 0.000 0.867 70 P CB 1.827 33.226 31.700 -0.501 0.000 1.074 71 Y N -1.064 119.138 120.300 -0.163 0.000 2.633 71 Y HA 0.264 4.816 4.550 0.002 0.000 0.339 71 Y C 2.231 178.126 175.900 -0.009 0.000 1.045 71 Y CA -0.376 57.694 58.100 -0.051 0.000 1.098 71 Y CB 0.570 39.052 38.460 0.038 0.000 1.296 71 Y HN 0.199 nan 8.280 nan 0.000 0.494 72 T N -0.136 114.527 114.554 0.182 0.000 2.680 72 T HA -0.252 4.099 4.350 0.002 0.000 0.268 72 T C 0.352 175.113 174.700 0.101 0.000 1.033 72 T CA 1.863 64.018 62.100 0.093 0.000 1.152 72 T CB -0.218 68.686 68.868 0.061 0.000 0.859 72 T HN 0.428 nan 8.240 nan 0.000 0.452 73 Q N -0.264 119.625 119.800 0.148 0.000 2.275 73 Q HA 0.506 4.847 4.340 0.002 0.000 0.266 73 Q C -0.478 175.648 176.000 0.210 0.000 1.002 73 Q CA 0.349 56.235 55.803 0.139 0.000 0.761 73 Q CB 1.421 30.216 28.738 0.096 0.000 1.255 73 Q HN 0.482 nan 8.270 nan 0.000 0.446 74 G N 2.692 111.627 108.800 0.224 0.000 2.629 74 G HA2 0.204 4.165 3.960 0.002 0.000 0.686 74 G HA3 0.204 4.165 3.960 0.002 0.000 0.686 74 G C -1.522 173.582 174.900 0.341 0.000 1.232 74 G CA -0.318 44.968 45.100 0.310 0.000 0.803 74 G HN 0.904 nan 8.290 nan 0.000 0.638 75 K N -0.610 119.954 120.400 0.273 0.000 2.607 75 K HA 0.794 5.115 4.320 0.002 0.000 0.287 75 K C -0.634 175.978 176.600 0.021 0.000 0.996 75 K CA -0.993 55.305 56.287 0.019 0.000 0.876 75 K CB 1.612 34.122 32.500 0.017 0.000 1.496 75 K HN 1.747 nan 8.250 nan 0.000 0.415 76 W N 0.042 121.240 121.300 -0.170 0.000 3.025 76 W HA 0.594 5.255 4.660 0.002 0.000 0.343 76 W C -1.663 174.846 176.519 -0.017 0.000 1.246 76 W CA -0.666 56.593 57.345 -0.145 0.000 1.178 76 W CB 1.114 30.323 29.460 -0.418 0.000 1.463 76 W HN 0.685 nan 8.180 nan 0.000 0.578 77 E N 0.308 120.843 120.200 0.558 0.000 2.317 77 E HA 0.678 5.029 4.350 0.002 0.000 0.270 77 E C -0.360 176.517 176.600 0.461 0.000 0.885 77 E CA -0.691 55.992 56.400 0.471 0.000 0.760 77 E CB 2.851 32.709 29.700 0.264 0.000 1.227 77 E HN 0.729 nan 8.360 nan 0.000 0.434 78 G N 1.049 110.092 108.800 0.406 0.000 2.606 78 G HA2 0.266 4.227 3.960 0.002 0.000 0.300 78 G HA3 0.266 4.227 3.960 0.002 0.000 0.300 78 G C -1.395 173.618 174.900 0.189 0.000 1.360 78 G CA -0.502 44.736 45.100 0.230 0.000 0.783 78 G HN 0.288 nan 8.290 nan 0.000 0.484 79 E N 0.277 120.556 120.200 0.132 0.000 2.166 79 E HA 0.447 4.798 4.350 0.002 0.000 0.275 79 E C -0.077 176.615 176.600 0.153 0.000 0.941 79 E CA -0.401 56.079 56.400 0.133 0.000 0.784 79 E CB 1.608 31.377 29.700 0.116 0.000 1.115 79 E HN 0.351 nan 8.360 nan 0.000 0.399 80 L N 1.897 123.212 121.223 0.152 0.000 2.452 80 L HA 0.531 4.872 4.340 0.002 0.000 0.267 80 L C 0.964 177.940 176.870 0.177 0.000 1.188 80 L CA 0.133 55.066 54.840 0.156 0.000 0.821 80 L CB 0.835 42.972 42.059 0.130 0.000 1.102 80 L HN 0.648 nan 8.230 nan 0.000 0.470 81 G N -0.043 108.871 108.800 0.191 0.000 2.349 81 G HA2 0.495 4.456 3.960 0.002 0.000 0.294 81 G HA3 0.495 4.456 3.960 0.002 0.000 0.294 81 G C -1.280 173.740 174.900 0.200 0.000 1.380 81 G CA -0.050 45.172 45.100 0.203 0.000 0.811 81 G HN 0.643 nan 8.290 nan 0.000 0.519 82 T N -1.954 112.694 114.554 0.156 0.000 2.906 82 T HA 0.824 5.175 4.350 0.002 0.000 0.295 82 T C -1.356 173.476 174.700 0.220 0.000 1.075 82 T CA -0.581 61.620 62.100 0.169 0.000 1.005 82 T CB 3.020 71.946 68.868 0.095 0.000 1.136 82 T HN 0.757 nan 8.240 nan 0.000 0.498 83 D N -0.335 120.196 120.400 0.219 0.000 2.738 83 D HA 0.285 4.926 4.640 0.002 0.000 0.308 83 D C -1.147 175.258 176.300 0.176 0.000 1.311 83 D CA -0.620 53.519 54.000 0.230 0.000 0.799 83 D CB 1.609 42.607 40.800 0.329 0.000 1.332 83 D HN 0.682 nan 8.370 nan 0.000 0.441 84 L N 1.154 122.468 121.223 0.152 0.000 2.319 84 L HA 0.498 4.839 4.340 0.002 0.000 0.280 84 L C -0.158 176.788 176.870 0.126 0.000 1.099 84 L CA -0.598 54.315 54.840 0.121 0.000 0.828 84 L CB 1.179 43.295 42.059 0.095 0.000 1.150 84 L HN 0.070 nan 8.230 nan 0.000 0.442 85 V N 2.351 122.350 119.914 0.140 0.000 2.656 85 V HA 0.564 4.686 4.120 0.002 0.000 0.307 85 V C -0.192 175.976 176.094 0.122 0.000 1.051 85 V CA -0.381 62.004 62.300 0.142 0.000 0.893 85 V CB 2.054 34.007 31.823 0.216 0.000 0.999 85 V HN 0.847 nan 8.190 nan 0.000 0.426 86 S N 3.814 119.554 115.700 0.067 0.000 2.627 86 S HA 0.732 5.203 4.470 0.002 0.000 0.283 86 S C -0.846 173.762 174.600 0.015 0.000 1.127 86 S CA -0.593 57.639 58.200 0.053 0.000 0.863 86 S CB 2.004 65.223 63.200 0.032 0.000 1.121 86 S HN 0.555 nan 8.310 nan 0.000 0.479 87 I N 2.516 123.097 120.570 0.019 0.000 2.464 87 I HA 0.269 4.440 4.170 0.002 0.000 0.277 87 I C -2.087 174.015 176.117 -0.024 0.000 1.040 87 I CA -2.190 59.110 61.300 0.000 0.000 1.153 87 I CB 1.722 39.739 38.000 0.028 0.000 1.274 87 I HN 0.373 nan 8.210 nan 0.000 0.469 88 P HA -0.210 nan 4.420 nan 0.000 0.217 88 P C 0.649 177.734 177.300 -0.358 0.000 1.158 88 P CA 1.680 64.632 63.100 -0.246 0.000 0.887 88 P CB 0.048 31.556 31.700 -0.320 0.000 0.792 89 H N -1.491 117.608 119.070 0.048 0.000 2.539 89 H HA 0.504 5.061 4.556 0.002 0.000 0.293 89 H C 1.001 176.369 175.328 0.066 0.000 1.156 89 H CA 0.103 56.184 56.048 0.055 0.000 1.012 89 H CB -0.144 29.649 29.762 0.051 0.000 1.600 89 H HN 0.128 nan 8.280 nan 0.000 0.538 90 G N 0.933 109.802 108.800 0.114 0.000 3.166 90 G HA2 0.309 4.270 3.960 0.002 0.000 0.267 90 G HA3 0.309 4.270 3.960 0.002 0.000 0.267 90 G C -2.569 172.396 174.900 0.109 0.000 1.256 90 G CA -1.334 43.839 45.100 0.121 0.000 0.859 90 G HN -0.070 nan 8.290 nan 0.000 0.590 91 P HA 0.039 nan 4.420 nan 0.000 0.268 91 P C -0.598 176.738 177.300 0.060 0.000 1.205 91 P CA -0.241 62.918 63.100 0.098 0.000 0.771 91 P CB 0.732 32.488 31.700 0.094 0.000 0.858 92 N N 2.774 121.502 118.700 0.048 0.000 2.971 92 N HA 0.136 4.877 4.740 0.002 0.000 0.294 92 N C -0.442 175.081 175.510 0.021 0.000 1.210 92 N CA 0.061 53.127 53.050 0.027 0.000 1.157 92 N CB -0.637 37.861 38.487 0.020 0.000 1.450 92 N HN 0.237 nan 8.380 nan 0.000 0.527 93 V N -1.137 118.790 119.914 0.023 0.000 3.159 93 V HA 0.685 4.806 4.120 0.002 0.000 0.308 93 V C -0.262 175.844 176.094 0.021 0.000 1.190 93 V CA -0.769 61.540 62.300 0.016 0.000 1.037 93 V CB 1.905 33.732 31.823 0.006 0.000 1.060 93 V HN 0.103 nan 8.190 nan 0.000 0.437 94 T N 2.104 116.668 114.554 0.017 0.000 2.881 94 T HA 0.789 5.140 4.350 0.002 0.000 0.290 94 T C -0.570 174.140 174.700 0.016 0.000 1.000 94 T CA -0.303 61.815 62.100 0.029 0.000 0.978 94 T CB 1.435 70.323 68.868 0.032 0.000 0.997 94 T HN 1.665 nan 8.240 nan 0.000 0.443 95 V N 1.120 121.050 119.914 0.026 0.000 3.007 95 V HA 0.741 4.863 4.120 0.002 0.000 0.311 95 V C -0.569 175.551 176.094 0.042 0.000 1.120 95 V CA -1.544 60.753 62.300 -0.005 0.000 0.980 95 V CB 2.076 33.837 31.823 -0.105 0.000 1.033 95 V HN 0.850 nan 8.190 nan 0.000 0.429 96 R N 2.077 122.595 120.500 0.031 0.000 2.202 96 R HA 0.809 5.150 4.340 0.002 0.000 0.334 96 R C -0.275 176.068 176.300 0.072 0.000 1.036 96 R CA 0.401 56.541 56.100 0.068 0.000 0.878 96 R CB 0.881 31.212 30.300 0.052 0.000 1.067 96 R HN 1.294 nan 8.270 nan 0.000 0.457 97 A N 3.936 126.845 122.820 0.148 0.000 2.485 97 A HA 0.458 4.779 4.320 0.002 0.000 0.292 97 A C -1.101 176.628 177.584 0.242 0.000 1.147 97 A CA -1.102 51.045 52.037 0.184 0.000 0.750 97 A CB 1.281 20.453 19.000 0.287 0.000 1.331 97 A HN 0.776 nan 8.150 nan 0.000 0.419 98 N N 0.249 119.094 118.700 0.242 0.000 2.518 98 N HA 0.434 5.175 4.740 0.002 0.000 0.266 98 N C -0.957 174.739 175.510 0.311 0.000 1.196 98 N CA 0.577 53.767 53.050 0.234 0.000 0.947 98 N CB 0.672 39.275 38.487 0.193 0.000 1.098 98 N HN 0.502 nan 8.380 nan 0.000 0.450 99 I N 0.753 121.445 120.570 0.204 0.000 2.548 99 I HA 0.291 4.462 4.170 0.002 0.000 0.287 99 I C -0.452 175.679 176.117 0.023 0.000 1.103 99 I CA -0.977 60.344 61.300 0.035 0.000 1.049 99 I CB 1.925 39.899 38.000 -0.045 0.000 1.232 99 I HN 0.377 nan 8.210 nan 0.000 0.429 100 A N 5.001 127.775 122.820 -0.077 0.000 2.269 100 A HA 0.749 5.070 4.320 0.002 0.000 0.302 100 A C 0.332 177.817 177.584 -0.164 0.000 1.266 100 A CA -0.402 51.613 52.037 -0.037 0.000 0.894 100 A CB 0.518 19.541 19.000 0.040 0.000 1.147 100 A HN 0.810 nan 8.150 nan 0.000 0.537 101 A N 4.201 127.012 122.820 -0.016 0.000 2.437 101 A HA 0.495 4.816 4.320 0.002 0.000 0.303 101 A C 0.198 177.739 177.584 -0.071 0.000 1.324 101 A CA -0.319 51.717 52.037 -0.003 0.000 0.983 101 A CB -0.618 18.414 19.000 0.054 0.000 1.142 101 A HN 0.773 nan 8.150 nan 0.000 0.541 102 I N 3.509 123.966 120.570 -0.188 0.000 2.581 102 I HA -0.028 4.143 4.170 0.002 0.000 0.285 102 I C 1.684 177.794 176.117 -0.012 0.000 1.129 102 I CA 0.496 61.697 61.300 -0.165 0.000 1.397 102 I CB 0.639 38.483 38.000 -0.261 0.000 1.399 102 I HN 0.836 nan 8.210 nan 0.000 0.537 103 T N 1.734 116.316 114.554 0.046 0.000 3.040 103 T HA 0.133 4.484 4.350 0.002 0.000 0.252 103 T C 0.389 175.136 174.700 0.077 0.000 1.064 103 T CA -0.097 62.023 62.100 0.033 0.000 1.110 103 T CB 0.129 69.019 68.868 0.037 0.000 0.921 103 T HN 0.720 nan 8.240 nan 0.000 0.480 104 E N 0.789 121.076 120.200 0.146 0.000 2.390 104 E HA 0.613 4.964 4.350 0.002 0.000 0.277 104 E C -1.375 175.374 176.600 0.249 0.000 0.939 104 E CA -1.110 55.398 56.400 0.179 0.000 0.769 104 E CB 2.029 31.808 29.700 0.131 0.000 1.251 104 E HN 0.257 nan 8.360 nan 0.000 0.450 105 S N 0.918 116.779 115.700 0.268 0.000 2.615 105 S HA 0.599 5.071 4.470 0.002 0.000 0.269 105 S C -1.677 173.078 174.600 0.258 0.000 1.161 105 S CA -0.957 57.410 58.200 0.278 0.000 0.817 105 S CB 1.919 65.280 63.200 0.268 0.000 1.131 105 S HN 0.586 nan 8.310 nan 0.000 0.467 106 D N 0.244 120.793 120.400 0.248 0.000 2.602 106 D HA 0.371 5.013 4.640 0.002 0.000 0.245 106 D C -0.898 175.546 176.300 0.239 0.000 1.325 106 D CA -0.349 53.781 54.000 0.217 0.000 0.952 106 D CB 0.770 41.669 40.800 0.165 0.000 1.317 106 D HN 0.741 nan 8.370 nan 0.000 0.577 107 K N 2.054 122.598 120.400 0.241 0.000 3.069 107 K HA -0.253 4.068 4.320 0.002 0.000 0.267 107 K C 0.211 176.968 176.600 0.262 0.000 1.082 107 K CA 0.569 56.996 56.287 0.234 0.000 0.782 107 K CB -1.354 31.257 32.500 0.186 0.000 1.230 107 K HN 0.406 nan 8.250 nan 0.000 0.488 108 F N 0.298 120.293 119.950 0.075 0.000 2.289 108 F HA 0.255 4.784 4.527 0.002 0.000 0.280 108 F C 0.705 176.466 175.800 -0.065 0.000 1.045 108 F CA 0.077 58.059 58.000 -0.029 0.000 1.236 108 F CB 0.233 39.139 39.000 -0.158 0.000 1.116 108 F HN -0.052 nan 8.300 nan 0.000 0.550 109 F N 2.129 122.038 119.950 -0.069 0.000 2.518 109 F HA 0.239 4.767 4.527 0.002 0.000 0.359 109 F C 0.222 175.920 175.800 -0.170 0.000 1.118 109 F CA -0.036 57.729 58.000 -0.391 0.000 1.287 109 F CB 0.207 38.972 39.000 -0.391 0.000 1.132 109 F HN -0.230 nan 8.300 nan 0.000 0.587 110 I N 2.592 122.972 120.570 -0.318 0.000 2.377 110 I HA 0.125 4.296 4.170 0.002 0.000 0.293 110 I C -0.188 175.602 176.117 -0.546 0.000 0.987 110 I CA -0.946 60.176 61.300 -0.297 0.000 1.185 110 I CB 1.539 39.391 38.000 -0.247 0.000 1.341 110 I HN 0.518 nan 8.210 nan 0.000 0.455 111 N N 4.690 122.811 118.700 -0.965 0.000 2.429 111 N HA 0.150 4.891 4.740 0.002 0.000 0.271 111 N C 0.775 175.954 175.510 -0.552 0.000 1.272 111 N CA 1.341 53.704 53.050 -1.144 0.000 0.921 111 N CB 0.410 37.982 38.487 -1.524 0.000 1.128 111 N HN 0.862 nan 8.380 nan 0.000 0.481 112 G N 1.989 110.526 108.800 -0.438 0.000 2.137 112 G HA2 -0.297 3.664 3.960 0.002 0.000 0.237 112 G HA3 -0.297 3.664 3.960 0.002 0.000 0.237 112 G C 0.900 175.637 174.900 -0.271 0.000 1.002 112 G CA 0.613 45.538 45.100 -0.292 0.000 0.702 112 G HN 0.861 nan 8.290 nan 0.000 0.515 113 S N -0.707 114.751 115.700 -0.403 0.000 2.446 113 S HA 0.073 4.544 4.470 0.002 0.000 0.225 113 S C 1.347 175.771 174.600 -0.293 0.000 1.016 113 S CA 1.347 59.347 58.200 -0.334 0.000 0.943 113 S CB -0.223 62.563 63.200 -0.690 0.000 0.786 113 S HN 1.451 nan 8.310 nan 0.000 0.508 114 N N 0.105 118.519 118.700 -0.476 0.000 2.984 114 N HA -0.117 4.624 4.740 0.002 0.000 0.227 114 N C -0.593 174.564 175.510 -0.590 0.000 0.903 114 N CA 0.885 53.658 53.050 -0.462 0.000 0.995 114 N CB -1.278 37.042 38.487 -0.279 0.000 1.065 114 N HN 0.841 nan 8.380 nan 0.000 0.585 115 W N 0.491 121.480 121.300 -0.518 0.000 2.606 115 W HA 0.629 5.290 4.660 0.002 0.000 0.332 115 W C -0.162 176.245 176.519 -0.187 0.000 1.052 115 W CA -0.519 56.572 57.345 -0.424 0.000 1.223 115 W CB 0.485 29.759 29.460 -0.311 0.000 1.383 115 W HN -0.070 nan 8.180 nan 0.000 0.524 116 E N 1.645 121.952 120.200 0.179 0.000 2.603 116 E HA 0.362 4.714 4.350 0.002 0.000 0.211 116 E C 0.563 177.387 176.600 0.373 0.000 0.995 116 E CA -0.042 56.435 56.400 0.128 0.000 0.990 116 E CB 1.294 30.977 29.700 -0.029 0.000 1.036 116 E HN 0.642 nan 8.360 nan 0.000 0.475 117 G N 0.096 109.195 108.800 0.499 0.000 2.663 117 G HA2 0.652 4.613 3.960 0.002 0.000 0.299 117 G HA3 0.652 4.613 3.960 0.002 0.000 0.299 117 G C -1.740 173.302 174.900 0.238 0.000 1.372 117 G CA -0.695 44.604 45.100 0.332 0.000 0.781 117 G HN 0.080 nan 8.290 nan 0.000 0.491 118 I N -0.416 120.241 120.570 0.145 0.000 2.656 118 I HA 0.626 4.797 4.170 0.002 0.000 0.292 118 I C -1.728 174.510 176.117 0.201 0.000 1.144 118 I CA -1.166 60.185 61.300 0.084 0.000 1.038 118 I CB 2.171 40.288 38.000 0.194 0.000 1.244 118 I HN 0.476 nan 8.210 nan 0.000 0.420 119 L N 7.953 129.235 121.223 0.097 0.000 2.313 119 L HA 0.639 4.980 4.340 0.002 0.000 0.273 119 L C -0.018 176.868 176.870 0.027 0.000 1.028 119 L CA -0.081 54.806 54.840 0.078 0.000 0.871 119 L CB 0.893 42.866 42.059 -0.143 0.000 1.242 119 L HN 0.631 nan 8.230 nan 0.000 0.434 120 G N 5.038 113.913 108.800 0.126 0.000 2.372 120 G HA2 0.338 4.299 3.960 0.002 0.000 0.286 120 G HA3 0.338 4.299 3.960 0.002 0.000 0.286 120 G C 0.518 175.439 174.900 0.035 0.000 1.153 120 G CA -0.368 44.791 45.100 0.098 0.000 0.985 120 G HN 0.744 nan 8.290 nan 0.000 0.429 121 L N 2.021 123.219 121.223 -0.042 0.000 2.592 121 L HA 0.220 4.561 4.340 0.002 0.000 0.227 121 L C 2.028 178.890 176.870 -0.012 0.000 1.127 121 L CA -0.113 54.660 54.840 -0.112 0.000 0.884 121 L CB -0.150 41.664 42.059 -0.408 0.000 1.065 121 L HN 0.583 nan 8.230 nan 0.000 0.457 122 A N -0.711 122.086 122.820 -0.039 0.000 2.256 122 A HA 0.287 4.608 4.320 0.002 0.000 0.276 122 A C -0.519 176.845 177.584 -0.365 0.000 1.259 122 A CA -0.059 51.792 52.037 -0.310 0.000 0.813 122 A CB -0.041 18.835 19.000 -0.206 0.000 1.200 122 A HN 0.103 nan 8.150 nan 0.000 0.506 123 Y N -1.801 118.393 120.300 -0.177 0.000 2.326 123 Y HA 0.417 4.968 4.550 0.002 0.000 0.324 123 Y C 1.664 177.548 175.900 -0.028 0.000 1.291 123 Y CA 0.226 58.290 58.100 -0.061 0.000 1.348 123 Y CB 0.776 39.208 38.460 -0.048 0.000 1.294 123 Y HN 0.659 nan 8.280 nan 0.000 0.525 124 A N 0.555 123.487 122.820 0.187 0.000 1.978 124 A HA -0.218 4.103 4.320 0.002 0.000 0.220 124 A C 1.878 179.509 177.584 0.078 0.000 1.170 124 A CA 1.883 53.984 52.037 0.108 0.000 0.636 124 A CB -0.671 18.390 19.000 0.103 0.000 0.810 124 A HN 0.959 nan 8.150 nan 0.000 0.448 125 E N -0.424 119.835 120.200 0.099 0.000 2.187 125 E HA -0.207 4.144 4.350 0.002 0.000 0.199 125 E C 1.426 178.057 176.600 0.051 0.000 1.004 125 E CA 1.543 57.987 56.400 0.074 0.000 0.813 125 E CB -0.329 29.433 29.700 0.104 0.000 0.736 125 E HN 0.952 nan 8.360 nan 0.000 0.468 126 I N -3.094 117.477 120.570 0.001 0.000 3.927 126 I HA 0.377 4.548 4.170 0.002 0.000 0.332 126 I C 0.457 176.520 176.117 -0.090 0.000 1.485 126 I CA -0.657 60.589 61.300 -0.090 0.000 1.131 126 I CB 0.448 38.247 38.000 -0.336 0.000 1.092 126 I HN -0.221 nan 8.210 nan 0.000 0.410 127 A N 1.873 124.674 122.820 -0.031 0.000 2.371 127 A HA 0.662 4.984 4.320 0.002 0.000 0.257 127 A C 0.089 177.653 177.584 -0.033 0.000 1.089 127 A CA -0.347 51.681 52.037 -0.015 0.000 0.794 127 A CB 0.498 19.518 19.000 0.035 0.000 1.029 127 A HN 0.326 nan 8.150 nan 0.000 0.488 128 R N 1.782 122.251 120.500 -0.052 0.000 2.668 128 R HA 0.403 4.744 4.340 0.002 0.000 0.279 128 R C -2.054 174.241 176.300 -0.008 0.000 0.976 128 R CA -2.419 53.639 56.100 -0.071 0.000 0.978 128 R CB 0.753 30.940 30.300 -0.189 0.000 1.133 128 R HN 0.551 nan 8.270 nan 0.000 0.484 129 P HA -0.087 nan 4.420 nan 0.000 0.222 129 P C -0.286 177.012 177.300 -0.003 0.000 1.153 129 P CA 1.221 64.318 63.100 -0.005 0.000 0.798 129 P CB 0.519 32.231 31.700 0.021 0.000 0.796 130 D N -0.633 119.772 120.400 0.008 0.000 2.664 130 D HA 0.007 4.648 4.640 0.002 0.000 0.292 130 D C -0.429 175.882 176.300 0.019 0.000 1.214 130 D CA -0.445 53.561 54.000 0.010 0.000 0.932 130 D CB 0.130 40.938 40.800 0.014 0.000 1.420 130 D HN -0.213 nan 8.370 nan 0.000 0.471 131 D N -1.171 119.242 120.400 0.021 0.000 2.371 131 D HA -0.079 4.562 4.640 0.002 0.000 0.234 131 D C 1.342 177.664 176.300 0.036 0.000 1.049 131 D CA 0.681 54.699 54.000 0.030 0.000 0.907 131 D CB -0.141 40.675 40.800 0.028 0.000 0.891 131 D HN 0.259 nan 8.370 nan 0.000 0.531 132 S N -0.634 115.086 115.700 0.033 0.000 2.501 132 S HA 0.009 4.480 4.470 0.002 0.000 0.220 132 S C 0.822 175.449 174.600 0.046 0.000 0.997 132 S CA -0.561 57.660 58.200 0.035 0.000 0.919 132 S CB -0.355 62.863 63.200 0.029 0.000 0.778 132 S HN 0.230 nan 8.310 nan 0.000 0.523 133 L N 3.548 124.803 121.223 0.054 0.000 2.385 133 L HA 0.344 4.685 4.340 0.002 0.000 0.285 133 L C 0.254 177.172 176.870 0.081 0.000 1.125 133 L CA -0.176 54.707 54.840 0.072 0.000 0.890 133 L CB -0.198 41.910 42.059 0.081 0.000 1.251 133 L HN 0.296 nan 8.230 nan 0.000 0.445 134 E N 6.293 126.538 120.200 0.075 0.000 2.558 134 E HA 0.044 4.395 4.350 0.002 0.000 0.255 134 E C -2.129 174.531 176.600 0.100 0.000 0.968 134 E CA -1.270 55.175 56.400 0.074 0.000 0.939 134 E CB 0.557 30.286 29.700 0.050 0.000 0.921 134 E HN 0.431 nan 8.360 nan 0.000 0.477 135 P HA -0.031 nan 4.420 nan 0.000 0.272 135 P C -0.075 177.309 177.300 0.140 0.000 1.240 135 P CA -0.224 62.962 63.100 0.144 0.000 0.791 135 P CB 0.379 32.151 31.700 0.120 0.000 0.978 136 F N 1.448 121.421 119.950 0.038 0.000 2.069 136 F HA -0.225 4.303 4.527 0.002 0.000 0.298 136 F C 2.046 177.818 175.800 -0.046 0.000 1.113 136 F CA 1.535 59.503 58.000 -0.055 0.000 1.214 136 F CB -0.842 38.021 39.000 -0.228 0.000 0.978 136 F HN 0.199 nan 8.300 nan 0.000 0.474 137 F N 1.503 121.384 119.950 -0.114 0.000 2.161 137 F HA -0.254 4.275 4.527 0.002 0.000 0.300 137 F C 2.414 178.099 175.800 -0.192 0.000 1.089 137 F CA 2.234 60.118 58.000 -0.193 0.000 1.282 137 F CB -0.671 38.293 39.000 -0.061 0.000 1.010 137 F HN 0.079 nan 8.300 nan 0.000 0.485 138 D N -0.896 119.518 120.400 0.024 0.000 2.144 138 D HA -0.157 4.484 4.640 0.002 0.000 0.199 138 D C 2.349 178.563 176.300 -0.144 0.000 0.984 138 D CA 1.653 55.650 54.000 -0.005 0.000 0.834 138 D CB -0.132 40.705 40.800 0.061 0.000 0.955 138 D HN 0.275 nan 8.370 nan 0.000 0.465 139 S N 0.834 116.400 115.700 -0.222 0.000 2.368 139 S HA -0.117 4.354 4.470 0.002 0.000 0.224 139 S C 1.911 176.287 174.600 -0.374 0.000 1.029 139 S CA 0.243 58.290 58.200 -0.254 0.000 0.988 139 S CB -0.175 62.881 63.200 -0.240 0.000 0.838 139 S HN 0.150 nan 8.310 nan 0.000 0.462 140 L N 2.086 122.930 121.223 -0.632 0.000 1.989 140 L HA -0.061 4.280 4.340 0.002 0.000 0.211 140 L C 2.167 178.774 176.870 -0.438 0.000 1.071 140 L CA 1.734 56.191 54.840 -0.640 0.000 0.749 140 L CB -0.795 40.708 42.059 -0.926 0.000 0.890 140 L HN 0.136 nan 8.230 nan 0.000 0.431 141 V N -0.184 119.458 119.914 -0.455 0.000 2.407 141 V HA -0.289 3.832 4.120 0.002 0.000 0.248 141 V C 2.645 178.630 176.094 -0.183 0.000 1.055 141 V CA 2.130 64.260 62.300 -0.284 0.000 1.049 141 V CB -0.752 30.957 31.823 -0.189 0.000 0.662 141 V HN 0.532 nan 8.190 nan 0.000 0.455 142 K N -0.289 120.014 120.400 -0.163 0.000 2.103 142 K HA -0.158 4.163 4.320 0.002 0.000 0.204 142 K C 2.157 178.689 176.600 -0.113 0.000 1.052 142 K CA 1.356 57.574 56.287 -0.115 0.000 0.945 142 K CB -0.023 32.426 32.500 -0.085 0.000 0.722 142 K HN 0.502 nan 8.250 nan 0.000 0.443 143 Q N -0.088 119.636 119.800 -0.127 0.000 2.398 143 Q HA -0.009 4.332 4.340 0.002 0.000 0.204 143 Q C 0.545 176.510 176.000 -0.058 0.000 0.932 143 Q CA 0.971 56.721 55.803 -0.088 0.000 0.916 143 Q CB 0.785 29.466 28.738 -0.095 0.000 1.024 143 Q HN 0.396 nan 8.270 nan 0.000 0.504 144 T N -4.039 110.467 114.554 -0.081 0.000 2.724 144 T HA 0.275 4.626 4.350 0.002 0.000 0.274 144 T C -0.027 174.670 174.700 -0.005 0.000 0.984 144 T CA -0.749 61.357 62.100 0.010 0.000 1.024 144 T CB 0.914 69.772 68.868 -0.017 0.000 1.320 144 T HN -0.032 nan 8.240 nan 0.000 0.555 145 H N -0.992 118.054 119.070 -0.039 0.000 2.529 145 H HA 0.485 5.043 4.556 0.002 0.000 0.277 145 H C 0.277 175.604 175.328 -0.003 0.000 1.004 145 H CA -0.226 55.813 56.048 -0.016 0.000 1.167 145 H CB -0.155 29.607 29.762 -0.001 0.000 1.445 145 H HN 0.301 nan 8.280 nan 0.000 0.554 146 V N 3.430 123.378 119.914 0.057 0.000 2.509 146 V HA 0.002 4.123 4.120 0.002 0.000 0.297 146 V C -1.758 174.358 176.094 0.036 0.000 1.014 146 V CA -1.195 61.131 62.300 0.043 0.000 1.127 146 V CB 0.467 32.264 31.823 -0.044 0.000 0.925 146 V HN 0.213 nan 8.190 nan 0.000 0.480 147 P HA -0.024 nan 4.420 nan 0.000 0.267 147 P C -0.012 177.394 177.300 0.176 0.000 1.201 147 P CA -0.011 63.167 63.100 0.129 0.000 0.775 147 P CB 0.282 32.080 31.700 0.164 0.000 0.854 148 N N 3.017 121.831 118.700 0.190 0.000 3.050 148 N HA 0.226 4.968 4.740 0.002 0.000 0.289 148 N C -0.784 174.944 175.510 0.364 0.000 1.209 148 N CA 0.029 53.277 53.050 0.330 0.000 1.154 148 N CB -1.218 37.410 38.487 0.236 0.000 1.444 148 N HN 0.319 nan 8.380 nan 0.000 0.529 149 L N -1.288 120.207 121.223 0.453 0.000 2.921 149 L HA 0.656 4.997 4.340 0.002 0.000 0.261 149 L C -1.785 175.240 176.870 0.259 0.000 0.984 149 L CA -1.216 53.737 54.840 0.189 0.000 0.951 149 L CB 0.942 43.030 42.059 0.048 0.000 1.495 149 L HN 0.012 nan 8.230 nan 0.000 0.414 150 F N -0.200 119.697 119.950 -0.088 0.000 2.645 150 F HA 0.943 5.472 4.527 0.002 0.000 0.310 150 F C -0.846 174.886 175.800 -0.113 0.000 1.102 150 F CA -0.342 57.596 58.000 -0.102 0.000 0.952 150 F CB 1.565 40.446 39.000 -0.197 0.000 1.326 150 F HN 0.726 nan 8.300 nan 0.000 0.456 151 S N 1.626 117.329 115.700 0.005 0.000 2.548 151 S HA 0.872 5.343 4.470 0.002 0.000 0.286 151 S C -1.514 173.111 174.600 0.042 0.000 1.098 151 S CA -0.836 57.259 58.200 -0.175 0.000 0.930 151 S CB 1.961 64.893 63.200 -0.446 0.000 1.070 151 S HN 0.851 nan 8.310 nan 0.000 0.480 152 L N 1.755 122.973 121.223 -0.009 0.000 2.381 152 L HA 0.560 4.901 4.340 0.002 0.000 0.274 152 L C -0.450 176.485 176.870 0.109 0.000 0.988 152 L CA -0.376 54.512 54.840 0.080 0.000 0.824 152 L CB 2.077 44.186 42.059 0.083 0.000 1.263 152 L HN 0.781 nan 8.230 nan 0.000 0.410 153 Q N 4.997 124.886 119.800 0.148 0.000 2.456 153 Q HA 0.468 4.809 4.340 0.002 0.000 0.252 153 Q C -1.641 174.324 176.000 -0.059 0.000 1.042 153 Q CA -0.531 55.356 55.803 0.139 0.000 0.766 153 Q CB 1.172 29.995 28.738 0.142 0.000 1.196 153 Q HN 0.625 nan 8.270 nan 0.000 0.504 154 L N 3.205 124.330 121.223 -0.163 0.000 2.276 154 L HA 0.499 4.840 4.340 0.002 0.000 0.286 154 L C -0.591 176.167 176.870 -0.186 0.000 1.061 154 L CA -0.797 53.783 54.840 -0.433 0.000 0.807 154 L CB 1.233 42.886 42.059 -0.677 0.000 1.177 154 L HN 0.646 nan 8.230 nan 0.000 0.429 155 c N 2.985 121.548 118.600 -0.063 0.000 2.319 155 c HA 0.616 5.187 4.570 0.002 0.000 0.323 155 c C 1.130 175.307 174.090 0.145 0.000 1.277 155 c CA -0.807 55.542 56.329 0.033 0.000 1.517 155 c CB 0.588 43.105 42.510 0.012 0.000 2.206 155 c HN 0.993 nan 8.230 nan 0.000 0.486 156 G N 1.863 110.717 108.800 0.090 0.000 2.485 156 G HA2 0.606 4.567 3.960 0.002 0.000 0.260 156 G HA3 0.606 4.567 3.960 0.002 0.000 0.260 156 G C 0.010 174.941 174.900 0.052 0.000 1.459 156 G CA 0.308 45.469 45.100 0.101 0.000 1.060 156 G HN 1.074 nan 8.290 nan 0.000 0.546 171 G N 1.499 110.310 108.800 0.019 0.000 2.662 171 G HA2 0.614 4.575 3.960 0.002 0.000 0.212 171 G HA3 0.614 4.575 3.960 0.002 0.000 0.212 171 G C 0.593 175.611 174.900 0.197 0.000 1.141 171 G CA 0.890 46.084 45.100 0.156 0.000 0.797 171 G HN 1.631 nan 8.290 nan 0.000 0.531 172 G N -1.209 107.627 108.800 0.060 0.000 2.356 172 G HA2 0.407 4.368 3.960 0.002 0.000 0.266 172 G HA3 0.407 4.368 3.960 0.002 0.000 0.266 172 G C -1.441 173.455 174.900 -0.006 0.000 1.312 172 G CA 0.034 45.133 45.100 -0.002 0.000 0.922 172 G HN 0.635 nan 8.290 nan 0.000 0.480 173 S N -0.452 115.248 115.700 0.001 0.000 2.541 173 S HA 0.709 5.180 4.470 0.002 0.000 0.280 173 S C -0.527 174.110 174.600 0.063 0.000 1.112 173 S CA -0.450 57.771 58.200 0.035 0.000 0.925 173 S CB 1.762 64.993 63.200 0.051 0.000 1.067 173 S HN 0.928 nan 8.310 nan 0.000 0.479 174 M N 4.176 123.816 119.600 0.067 0.000 2.006 174 M HA 0.458 4.939 4.480 0.002 0.000 0.314 174 M C -1.702 174.661 176.300 0.105 0.000 0.926 174 M CA -0.682 54.665 55.300 0.079 0.000 0.906 174 M CB 0.163 32.776 32.600 0.021 0.000 1.422 174 M HN 0.446 nan 8.290 nan 0.000 0.397 175 I N 6.074 126.716 120.570 0.121 0.000 2.363 175 I HA 0.193 4.364 4.170 0.002 0.000 0.292 175 I C 0.047 176.200 176.117 0.060 0.000 1.075 175 I CA -0.270 61.062 61.300 0.053 0.000 1.333 175 I CB -0.122 37.857 38.000 -0.035 0.000 1.415 175 I HN 0.606 nan 8.210 nan 0.000 0.502 176 I N 5.690 126.325 120.570 0.108 0.000 2.337 176 I HA 0.276 4.447 4.170 0.002 0.000 0.291 176 I C 1.270 177.484 176.117 0.161 0.000 1.046 176 I CA 0.207 61.632 61.300 0.207 0.000 1.324 176 I CB 0.470 38.592 38.000 0.204 0.000 1.409 176 I HN 0.888 nan 8.210 nan 0.000 0.494 177 G N 4.358 113.289 108.800 0.217 0.000 2.157 177 G HA2 -0.072 3.889 3.960 0.002 0.000 0.239 177 G HA3 -0.072 3.889 3.960 0.002 0.000 0.239 177 G C 0.354 175.267 174.900 0.022 0.000 0.982 177 G CA -0.073 45.135 45.100 0.180 0.000 0.650 177 G HN 1.213 nan 8.290 nan 0.000 0.527 178 G N -1.255 107.378 108.800 -0.279 0.000 2.348 178 G HA2 0.586 4.548 3.960 0.002 0.000 0.296 178 G HA3 0.586 4.548 3.960 0.002 0.000 0.296 178 G C -1.573 173.057 174.900 -0.449 0.000 1.258 178 G CA -0.300 44.517 45.100 -0.472 0.000 0.868 178 G HN 0.821 nan 8.290 nan 0.000 0.488 179 I N 0.943 121.380 120.570 -0.221 0.000 2.498 179 I HA 0.355 4.526 4.170 0.002 0.000 0.290 179 I C -1.347 175.001 176.117 0.384 0.000 1.032 179 I CA -0.669 60.719 61.300 0.148 0.000 1.073 179 I CB 2.318 40.479 38.000 0.269 0.000 1.251 179 I HN 0.365 nan 8.210 nan 0.000 0.426 180 D N 5.271 125.928 120.400 0.429 0.000 2.392 180 D HA 0.198 4.840 4.640 0.002 0.000 0.228 180 D C 0.901 177.416 176.300 0.359 0.000 1.074 180 D CA -0.218 54.030 54.000 0.413 0.000 0.838 180 D CB 0.783 41.740 40.800 0.262 0.000 1.067 180 D HN 0.593 nan 8.370 nan 0.000 0.511 181 H N 1.470 120.643 119.070 0.173 0.000 2.518 181 H HA -0.107 4.450 4.556 0.002 0.000 0.289 181 H C 1.854 177.015 175.328 -0.280 0.000 1.051 181 H CA 1.013 57.016 56.048 -0.074 0.000 1.280 181 H CB 0.573 30.287 29.762 -0.080 0.000 1.380 181 H HN 0.360 nan 8.280 nan 0.000 0.566 182 S N 0.603 116.290 115.700 -0.023 0.000 2.522 182 S HA -0.002 4.469 4.470 0.002 0.000 0.227 182 S C 1.797 176.307 174.600 -0.151 0.000 0.986 182 S CA 0.150 58.296 58.200 -0.090 0.000 0.929 182 S CB -0.282 62.897 63.200 -0.034 0.000 0.769 182 S HN 0.330 nan 8.310 nan 0.000 0.529 183 L N 0.412 121.506 121.223 -0.215 0.000 2.558 183 L HA 0.299 4.640 4.340 0.002 0.000 0.225 183 L C 0.414 177.143 176.870 -0.236 0.000 1.128 183 L CA -0.104 54.544 54.840 -0.319 0.000 0.868 183 L CB -0.427 41.246 42.059 -0.644 0.000 1.006 183 L HN 0.599 nan 8.230 nan 0.000 0.454 184 Y N -2.332 117.797 120.300 -0.285 0.000 2.625 184 Y HA 0.657 5.208 4.550 0.002 0.000 0.338 184 Y C -0.381 175.495 175.900 -0.040 0.000 1.123 184 Y CA -1.577 56.452 58.100 -0.118 0.000 1.046 184 Y CB 0.926 39.369 38.460 -0.029 0.000 1.299 184 Y HN -0.096 nan 8.280 nan 0.000 0.464 185 T N -0.927 113.695 114.554 0.113 0.000 2.930 185 T HA 0.802 5.153 4.350 0.002 0.000 0.290 185 T C 0.386 175.190 174.700 0.174 0.000 1.052 185 T CA -0.251 61.866 62.100 0.028 0.000 1.017 185 T CB 1.098 70.003 68.868 0.062 0.000 1.137 185 T HN 2.346 nan 8.240 nan 0.000 0.511 186 G N 1.385 110.250 108.800 0.107 0.000 2.598 186 G HA2 -0.058 3.903 3.960 0.002 0.000 0.244 186 G HA3 -0.058 3.903 3.960 0.002 0.000 0.244 186 G C -0.200 174.828 174.900 0.213 0.000 1.302 186 G CA -0.251 44.943 45.100 0.156 0.000 0.903 186 G HN 1.248 nan 8.290 nan 0.000 0.575 187 S N -0.659 115.160 115.700 0.199 0.000 2.617 187 S HA 0.675 5.147 4.470 0.002 0.000 0.283 187 S C 0.366 174.988 174.600 0.037 0.000 1.189 187 S CA -0.552 57.711 58.200 0.105 0.000 1.036 187 S CB 1.455 64.651 63.200 -0.007 0.000 1.014 187 S HN 0.636 nan 8.310 nan 0.000 0.522 188 L N 1.963 123.081 121.223 -0.174 0.000 2.292 188 L HA 0.412 4.753 4.340 0.002 0.000 0.284 188 L C -1.177 175.346 176.870 -0.579 0.000 1.065 188 L CA -0.306 54.298 54.840 -0.393 0.000 0.806 188 L CB 0.664 42.408 42.059 -0.524 0.000 1.175 188 L HN 0.647 nan 8.230 nan 0.000 0.431 189 W N 2.633 123.509 121.300 -0.706 0.000 2.573 189 W HA 0.458 5.119 4.660 0.001 0.000 0.326 189 W C -0.752 175.180 176.519 -0.979 0.000 1.049 189 W CA -0.248 56.566 57.345 -0.885 0.000 1.220 189 W CB 1.121 29.693 29.460 -1.479 0.000 1.373 189 W HN 0.202 nan 8.180 nan 0.000 0.507 190 Y N 1.480 121.674 120.300 -0.177 0.000 2.377 190 Y HA 0.539 5.090 4.550 0.002 0.000 0.339 190 Y C 0.528 176.641 175.900 0.355 0.000 1.011 190 Y CA -0.784 57.345 58.100 0.047 0.000 1.093 190 Y CB 2.184 40.630 38.460 -0.024 0.000 1.201 190 Y HN 0.157 nan 8.280 nan 0.000 0.455 191 T N 5.495 120.371 114.554 0.536 0.000 2.841 191 T HA 0.463 4.814 4.350 0.002 0.000 0.283 191 T C -2.887 171.978 174.700 0.276 0.000 1.000 191 T CA -2.573 59.783 62.100 0.427 0.000 0.977 191 T CB 1.091 70.166 68.868 0.345 0.000 0.979 191 T HN 0.317 nan 8.240 nan 0.000 0.446 192 P HA 0.279 nan 4.420 nan 0.000 0.271 192 P C -0.504 176.893 177.300 0.162 0.000 1.218 192 P CA -0.280 62.915 63.100 0.159 0.000 0.780 192 P CB 0.665 32.439 31.700 0.125 0.000 0.901 193 I N 3.699 124.367 120.570 0.163 0.000 2.308 193 I HA 0.148 4.319 4.170 0.002 0.000 0.293 193 I C 2.231 178.441 176.117 0.155 0.000 1.078 193 I CA -0.250 61.170 61.300 0.200 0.000 1.292 193 I CB 0.445 38.593 38.000 0.247 0.000 1.423 193 I HN 0.453 nan 8.210 nan 0.000 0.493 194 R N 5.739 126.342 120.500 0.171 0.000 2.097 194 R HA -0.085 4.256 4.340 0.002 0.000 0.236 194 R C 0.910 177.270 176.300 0.100 0.000 1.135 194 R CA 1.570 57.753 56.100 0.139 0.000 0.934 194 R CB 0.231 30.635 30.300 0.174 0.000 0.846 194 R HN 0.588 nan 8.270 nan 0.000 0.431 195 R N 0.157 120.752 120.500 0.158 0.000 2.651 195 R HA 0.122 4.463 4.340 0.002 0.000 0.278 195 R C -1.440 174.934 176.300 0.124 0.000 1.010 195 R CA -0.475 55.653 56.100 0.048 0.000 0.896 195 R CB 1.671 31.898 30.300 -0.123 0.000 1.211 195 R HN 0.116 nan 8.270 nan 0.000 0.456 196 E N 5.151 125.252 120.200 -0.166 0.000 1.775 196 E HA 0.044 4.395 4.350 0.002 0.000 0.266 196 E C -0.275 176.239 176.600 -0.145 0.000 1.191 196 E CA 0.024 56.066 56.400 -0.595 0.000 1.048 196 E CB 0.197 29.248 29.700 -1.082 0.000 1.081 196 E HN 0.518 nan 8.360 nan 0.000 0.434 197 W N 1.712 122.942 121.300 -0.117 0.000 4.558 197 W HA 0.158 4.819 4.660 0.002 0.000 0.167 197 W C -0.300 176.191 176.519 -0.047 0.000 3.435 197 W CA -0.247 57.068 57.345 -0.051 0.000 1.301 197 W CB -0.403 29.012 29.460 -0.075 0.000 2.030 197 W HN 0.037 nan 8.180 nan 0.000 0.464 198 Y N 0.486 120.504 120.300 -0.470 0.000 2.418 198 Y HA 0.368 4.919 4.550 0.002 0.000 0.327 198 Y C -0.189 175.596 175.900 -0.191 0.000 1.309 198 Y CA -0.541 57.298 58.100 -0.435 0.000 1.423 198 Y CB 0.237 38.274 38.460 -0.705 0.000 1.423 198 Y HN -0.161 nan 8.280 nan 0.000 0.532 199 Y N 0.967 121.436 120.300 0.281 0.000 2.632 199 Y HA 0.115 4.666 4.550 0.002 0.000 0.336 199 Y C 0.303 176.335 175.900 0.221 0.000 1.237 199 Y CA -0.397 57.895 58.100 0.318 0.000 1.595 199 Y CB -0.188 38.490 38.460 0.364 0.000 1.508 199 Y HN 0.410 nan 8.280 nan 0.000 0.480 200 E N 2.823 123.206 120.200 0.305 0.000 2.289 200 E HA 0.451 4.802 4.350 0.002 0.000 0.278 200 E C -0.798 175.948 176.600 0.244 0.000 1.032 200 E CA -0.594 55.961 56.400 0.259 0.000 0.854 200 E CB 0.820 30.762 29.700 0.403 0.000 1.046 200 E HN 0.392 nan 8.360 nan 0.000 0.409 201 V N 1.826 121.848 119.914 0.179 0.000 3.158 201 V HA 0.596 4.717 4.120 0.002 0.000 0.311 201 V C -0.684 175.473 176.094 0.105 0.000 1.181 201 V CA -1.085 61.301 62.300 0.143 0.000 1.054 201 V CB 1.831 33.726 31.823 0.121 0.000 1.085 201 V HN 0.565 nan 8.190 nan 0.000 0.446 202 I N 2.284 122.897 120.570 0.073 0.000 2.389 202 I HA 0.485 4.657 4.170 0.002 0.000 0.288 202 I C -0.289 175.826 176.117 -0.003 0.000 0.999 202 I CA -0.501 60.834 61.300 0.059 0.000 1.129 202 I CB 1.403 39.446 38.000 0.072 0.000 1.288 202 I HN 0.589 nan 8.210 nan 0.000 0.444 203 I N 6.751 127.323 120.570 0.003 0.000 2.325 203 I HA 0.112 4.283 4.170 0.002 0.000 0.291 203 I C 1.264 177.387 176.117 0.009 0.000 1.019 203 I CA -0.226 61.035 61.300 -0.066 0.000 1.302 203 I CB 1.527 39.471 38.000 -0.095 0.000 1.401 203 I HN 0.469 nan 8.210 nan 0.000 0.485 204 V N 2.915 122.804 119.914 -0.042 0.000 3.644 204 V HA 0.365 4.487 4.120 0.002 0.000 0.267 204 V C 0.620 176.707 176.094 -0.012 0.000 1.277 204 V CA 0.132 62.438 62.300 0.010 0.000 1.096 204 V CB -0.276 31.535 31.823 -0.021 0.000 0.828 204 V HN 0.875 nan 8.190 nan 0.000 0.446 205 R N -0.566 119.850 120.500 -0.141 0.000 2.664 205 R HA 0.651 4.992 4.340 0.002 0.000 0.260 205 R C -2.502 173.587 176.300 -0.353 0.000 1.062 205 R CA -0.393 55.554 56.100 -0.255 0.000 0.902 205 R CB 2.537 32.511 30.300 -0.544 0.000 1.258 205 R HN 0.034 nan 8.270 nan 0.000 0.465 206 V N 2.712 122.377 119.914 -0.415 0.000 2.638 206 V HA 0.488 4.609 4.120 0.002 0.000 0.306 206 V C -0.826 175.193 176.094 -0.125 0.000 1.052 206 V CA -0.713 61.387 62.300 -0.334 0.000 0.885 206 V CB 1.979 33.440 31.823 -0.602 0.000 0.999 206 V HN 0.768 nan 8.190 nan 0.000 0.424 207 E N 4.289 124.471 120.200 -0.029 0.000 2.288 207 E HA 0.663 5.014 4.350 0.002 0.000 0.268 207 E C -1.422 175.178 176.600 0.000 0.000 0.885 207 E CA -0.783 55.619 56.400 0.004 0.000 0.767 207 E CB 3.252 32.994 29.700 0.070 0.000 1.220 207 E HN 0.514 nan 8.360 nan 0.000 0.427 208 I N 2.723 123.298 120.570 0.008 0.000 2.439 208 I HA 0.200 4.371 4.170 0.002 0.000 0.283 208 I C -0.390 175.751 176.117 0.039 0.000 1.023 208 I CA -0.624 60.690 61.300 0.023 0.000 1.100 208 I CB 1.212 39.218 38.000 0.011 0.000 1.238 208 I HN 0.512 nan 8.210 nan 0.000 0.445 209 N N 4.918 123.653 118.700 0.058 0.000 2.740 209 N HA -0.192 4.549 4.740 0.002 0.000 0.248 209 N C 0.872 176.407 175.510 0.043 0.000 1.062 209 N CA 1.456 54.541 53.050 0.058 0.000 0.704 209 N CB -0.772 37.752 38.487 0.061 0.000 0.968 209 N HN 1.148 nan 8.380 nan 0.000 0.547 210 G N -1.141 107.685 108.800 0.042 0.000 2.179 210 G HA2 -0.356 3.605 3.960 0.002 0.000 0.260 210 G HA3 -0.356 3.605 3.960 0.002 0.000 0.260 210 G C -0.121 174.797 174.900 0.029 0.000 0.977 210 G CA 0.643 45.768 45.100 0.043 0.000 0.641 210 G HN 0.695 nan 8.290 nan 0.000 0.533 211 Q N 0.843 120.655 119.800 0.019 0.000 2.333 211 Q HA 0.472 4.813 4.340 0.002 0.000 0.265 211 Q C -0.608 175.389 176.000 -0.005 0.000 0.989 211 Q CA -0.823 54.983 55.803 0.005 0.000 0.842 211 Q CB 0.905 29.645 28.738 0.004 0.000 1.262 211 Q HN 0.197 nan 8.270 nan 0.000 0.451 212 D N 3.674 124.062 120.400 -0.019 0.000 2.455 212 D HA -0.038 4.604 4.640 0.002 0.000 0.241 212 D C 0.808 177.108 176.300 -0.001 0.000 1.138 212 D CA 0.380 54.362 54.000 -0.031 0.000 0.877 212 D CB 1.032 41.802 40.800 -0.051 0.000 1.187 212 D HN 0.756 nan 8.370 nan 0.000 0.451 213 L N 3.262 124.504 121.223 0.031 0.000 2.376 213 L HA -0.079 4.262 4.340 0.002 0.000 0.219 213 L C 1.382 178.284 176.870 0.053 0.000 1.133 213 L CA 0.472 55.349 54.840 0.061 0.000 0.816 213 L CB -0.260 41.883 42.059 0.142 0.000 0.933 213 L HN 0.578 nan 8.230 nan 0.000 0.449 214 K N -0.195 120.235 120.400 0.050 0.000 3.088 214 K HA -0.204 4.117 4.320 0.002 0.000 0.273 214 K C 0.033 176.620 176.600 -0.022 0.000 1.111 214 K CA 0.708 57.001 56.287 0.010 0.000 0.803 214 K CB -1.427 31.066 32.500 -0.011 0.000 1.226 214 K HN 0.348 nan 8.250 nan 0.000 0.485 215 M N 0.577 120.157 119.600 -0.033 0.000 2.359 215 M HA 0.123 4.604 4.480 0.002 0.000 0.322 215 M C 0.543 176.665 176.300 -0.296 0.000 1.166 215 M CA -0.529 54.656 55.300 -0.192 0.000 1.067 215 M CB 0.647 33.063 32.600 -0.306 0.000 1.523 215 M HN -0.007 nan 8.290 nan 0.000 0.467 216 D N 1.361 121.598 120.400 -0.272 0.000 2.434 216 D HA -0.016 4.625 4.640 0.002 0.000 0.252 216 D C 1.068 177.137 176.300 -0.386 0.000 1.185 216 D CA -0.168 53.695 54.000 -0.228 0.000 0.886 216 D CB 0.954 41.657 40.800 -0.162 0.000 1.148 216 D HN 0.861 nan 8.370 nan 0.000 0.483 217 c N 3.927 122.374 118.600 -0.255 0.000 2.409 217 c HA -0.060 4.511 4.570 0.002 0.000 0.288 217 c C 2.064 176.090 174.090 -0.106 0.000 1.395 217 c CA 0.055 56.273 56.329 -0.186 0.000 1.792 217 c CB -0.697 41.883 42.510 0.117 0.000 1.847 217 c HN 0.615 nan 8.230 nan 0.000 0.534 218 K N 0.796 121.148 120.400 -0.080 0.000 2.211 218 K HA -0.090 4.231 4.320 0.002 0.000 0.203 218 K C 2.142 178.738 176.600 -0.006 0.000 1.050 218 K CA 1.350 57.656 56.287 0.031 0.000 0.945 218 K CB -0.160 32.384 32.500 0.074 0.000 0.732 218 K HN 0.550 nan 8.250 nan 0.000 0.451 219 E N 0.261 120.355 120.200 -0.177 0.000 2.153 219 E HA -0.179 4.172 4.350 0.002 0.000 0.194 219 E C 1.816 178.392 176.600 -0.040 0.000 0.988 219 E CA 1.306 57.602 56.400 -0.174 0.000 0.811 219 E CB -0.270 29.247 29.700 -0.305 0.000 0.746 219 E HN 0.538 nan 8.360 nan 0.000 0.466 220 Y N 0.797 121.113 120.300 0.027 0.000 2.352 220 Y HA -0.059 4.492 4.550 0.002 0.000 0.292 220 Y C 1.398 177.312 175.900 0.023 0.000 1.136 220 Y CA 0.442 58.551 58.100 0.015 0.000 1.227 220 Y CB 0.171 38.627 38.460 -0.007 0.000 0.991 220 Y HN 0.014 nan 8.280 nan 0.000 0.545 221 N N -0.869 117.943 118.700 0.186 0.000 2.401 221 N HA -0.002 4.740 4.740 0.002 0.000 0.264 221 N C -1.231 174.327 175.510 0.080 0.000 1.238 221 N CA -0.068 53.061 53.050 0.132 0.000 0.889 221 N CB 0.206 38.789 38.487 0.160 0.000 1.196 221 N HN 0.206 nan 8.380 nan 0.000 0.511 222 Y N 2.724 122.944 120.300 -0.133 0.000 2.404 222 Y HA 0.158 4.710 4.550 0.002 0.000 0.344 222 Y C 0.459 176.188 175.900 -0.285 0.000 0.970 222 Y CA -1.162 56.705 58.100 -0.387 0.000 1.180 222 Y CB 0.575 38.814 38.460 -0.368 0.000 1.138 222 Y HN 0.013 nan 8.280 nan 0.000 0.510 223 D N 3.882 123.806 120.400 -0.793 0.000 2.342 223 D HA 0.133 4.774 4.640 0.002 0.000 0.221 223 D C -0.601 175.649 176.300 -0.084 0.000 1.101 223 D CA -0.019 53.557 54.000 -0.706 0.000 0.837 223 D CB -0.094 40.362 40.800 -0.573 0.000 0.938 223 D HN 0.633 nan 8.370 nan 0.000 0.508 224 K N -3.016 117.344 120.400 -0.066 0.000 2.931 224 K HA 0.471 4.792 4.320 0.002 0.000 0.292 224 K C -1.751 174.841 176.600 -0.013 0.000 1.077 224 K CA -0.882 55.440 56.287 0.058 0.000 0.829 224 K CB 0.425 32.988 32.500 0.105 0.000 1.488 224 K HN -0.181 nan 8.250 nan 0.000 0.358 225 S N 0.811 116.525 115.700 0.023 0.000 2.594 225 S HA 0.679 5.150 4.470 0.002 0.000 0.296 225 S C -0.687 173.913 174.600 0.001 0.000 1.124 225 S CA -0.837 57.363 58.200 -0.001 0.000 1.011 225 S CB 0.590 63.809 63.200 0.031 0.000 1.016 225 S HN 0.574 nan 8.310 nan 0.000 0.485 226 I N -0.566 119.983 120.570 -0.035 0.000 3.042 226 I HA 0.802 4.973 4.170 0.002 0.000 0.310 226 I C -1.259 174.907 176.117 0.082 0.000 1.117 226 I CA -1.255 60.054 61.300 0.015 0.000 1.003 226 I CB 1.856 39.791 38.000 -0.109 0.000 1.228 226 I HN 0.254 nan 8.210 nan 0.000 0.443 227 V N 2.747 122.773 119.914 0.187 0.000 2.350 227 V HA 0.372 4.494 4.120 0.002 0.000 0.276 227 V C -0.956 175.283 176.094 0.242 0.000 1.028 227 V CA 0.084 62.513 62.300 0.214 0.000 0.860 227 V CB 0.843 32.810 31.823 0.240 0.000 0.990 227 V HN 0.742 nan 8.190 nan 0.000 0.453 228 D N 2.883 123.378 120.400 0.158 0.000 2.473 228 D HA 0.256 4.897 4.640 0.002 0.000 0.253 228 D C 1.107 177.461 176.300 0.089 0.000 1.233 228 D CA -0.121 53.956 54.000 0.127 0.000 0.908 228 D CB 1.979 42.830 40.800 0.084 0.000 1.170 228 D HN 0.452 nan 8.370 nan 0.000 0.558 229 S N 1.484 117.223 115.700 0.065 0.000 2.474 229 S HA -0.021 4.450 4.470 0.002 0.000 0.235 229 S C 1.791 176.410 174.600 0.031 0.000 0.997 229 S CA 0.599 58.818 58.200 0.032 0.000 0.949 229 S CB 0.011 63.189 63.200 -0.035 0.000 0.766 229 S HN 0.431 nan 8.310 nan 0.000 0.517 230 G N 0.356 109.161 108.800 0.009 0.000 3.088 230 G HA2 0.319 4.280 3.960 0.002 0.000 0.212 230 G HA3 0.319 4.280 3.960 0.002 0.000 0.212 230 G C 0.005 174.902 174.900 -0.004 0.000 1.173 230 G CA -0.093 44.989 45.100 -0.029 0.000 0.779 230 G HN 0.460 nan 8.290 nan 0.000 0.540 231 T N -0.157 114.414 114.554 0.029 0.000 2.807 231 T HA 0.370 4.721 4.350 0.002 0.000 0.279 231 T C 1.229 175.957 174.700 0.048 0.000 0.993 231 T CA -0.380 61.737 62.100 0.029 0.000 0.970 231 T CB 2.046 70.926 68.868 0.021 0.000 0.950 231 T HN -0.039 nan 8.240 nan 0.000 0.441 232 T N 3.191 117.771 114.554 0.043 0.000 2.698 232 T HA -0.010 4.341 4.350 0.002 0.000 0.260 232 T C 1.175 175.903 174.700 0.048 0.000 1.044 232 T CA 0.966 63.101 62.100 0.058 0.000 1.149 232 T CB -0.079 68.817 68.868 0.047 0.000 0.864 232 T HN 0.442 nan 8.240 nan 0.000 0.419 233 N N 1.047 119.757 118.700 0.017 0.000 2.364 233 N HA 0.374 5.115 4.740 0.002 0.000 0.264 233 N C -0.685 174.819 175.510 -0.009 0.000 1.263 233 N CA -0.671 52.374 53.050 -0.009 0.000 0.959 233 N CB 0.145 38.602 38.487 -0.051 0.000 1.204 233 N HN 0.109 nan 8.380 nan 0.000 0.550 234 L N 0.697 121.899 121.223 -0.034 0.000 2.255 234 L HA 0.367 4.709 4.340 0.002 0.000 0.289 234 L C -0.353 176.491 176.870 -0.043 0.000 1.046 234 L CA -0.125 54.698 54.840 -0.028 0.000 0.816 234 L CB 0.108 42.145 42.059 -0.037 0.000 1.197 234 L HN 0.302 nan 8.230 nan 0.000 0.427 235 R N 5.983 126.461 120.500 -0.037 0.000 2.460 235 R HA 0.725 5.066 4.340 0.002 0.000 0.303 235 R C -1.319 174.967 176.300 -0.023 0.000 0.968 235 R CA -0.803 55.265 56.100 -0.052 0.000 0.889 235 R CB 1.642 31.898 30.300 -0.073 0.000 1.123 235 R HN 0.627 nan 8.270 nan 0.000 0.455 236 L N 3.075 124.303 121.223 0.008 0.000 2.388 236 L HA 0.506 4.847 4.340 0.002 0.000 0.264 236 L C -2.413 174.497 176.870 0.067 0.000 0.998 236 L CA -2.689 52.192 54.840 0.067 0.000 0.817 236 L CB 2.330 44.483 42.059 0.157 0.000 1.338 236 L HN 0.268 nan 8.230 nan 0.000 0.414 237 P HA -0.019 nan 4.420 nan 0.000 0.267 237 P C 0.266 177.648 177.300 0.136 0.000 1.200 237 P CA -0.098 63.054 63.100 0.086 0.000 0.772 237 P CB 0.683 32.463 31.700 0.133 0.000 0.855 238 K N 3.937 124.404 120.400 0.113 0.000 2.049 238 K HA -0.319 4.002 4.320 0.002 0.000 0.219 238 K C 1.782 178.487 176.600 0.175 0.000 1.056 238 K CA 2.267 58.643 56.287 0.147 0.000 0.946 238 K CB -0.285 32.276 32.500 0.101 0.000 0.723 238 K HN 0.240 nan 8.250 nan 0.000 0.453 239 K N 0.045 120.510 120.400 0.109 0.000 2.044 239 K HA -0.154 4.167 4.320 0.002 0.000 0.210 239 K C 1.981 178.627 176.600 0.077 0.000 1.049 239 K CA 1.909 58.234 56.287 0.062 0.000 0.927 239 K CB -0.024 32.477 32.500 0.002 0.000 0.713 239 K HN 0.122 nan 8.250 nan 0.000 0.443 240 V N 0.881 120.864 119.914 0.115 0.000 2.358 240 V HA -0.215 3.906 4.120 0.002 0.000 0.246 240 V C 2.041 178.217 176.094 0.138 0.000 1.047 240 V CA 1.772 64.158 62.300 0.145 0.000 1.035 240 V CB -0.677 31.275 31.823 0.214 0.000 0.658 240 V HN 0.324 nan 8.190 nan 0.000 0.452 241 F N 1.613 121.585 119.950 0.037 0.000 2.095 241 F HA -0.201 4.327 4.527 0.002 0.000 0.298 241 F C 2.366 178.180 175.800 0.025 0.000 1.104 241 F CA 2.144 60.162 58.000 0.030 0.000 1.232 241 F CB -0.311 38.708 39.000 0.032 0.000 0.987 241 F HN 0.227 nan 8.300 nan 0.000 0.475 242 E N 0.319 120.502 120.200 -0.028 0.000 2.077 242 E HA -0.214 4.138 4.350 0.002 0.000 0.193 242 E C 2.411 178.898 176.600 -0.188 0.000 0.989 242 E CA 1.127 57.438 56.400 -0.147 0.000 0.800 242 E CB -0.519 29.182 29.700 0.001 0.000 0.746 242 E HN 0.516 nan 8.360 nan 0.000 0.452 243 A N 1.622 124.382 122.820 -0.099 0.000 1.877 243 A HA -0.116 4.205 4.320 0.002 0.000 0.216 243 A C 2.415 179.924 177.584 -0.124 0.000 1.186 243 A CA 1.723 53.709 52.037 -0.086 0.000 0.620 243 A CB -0.709 18.278 19.000 -0.021 0.000 0.822 243 A HN 0.293 nan 8.150 nan 0.000 0.443 244 A N -0.501 122.238 122.820 -0.135 0.000 1.865 244 A HA -0.047 4.274 4.320 0.002 0.000 0.217 244 A C 2.248 179.701 177.584 -0.218 0.000 1.191 244 A CA 1.945 53.895 52.037 -0.144 0.000 0.623 244 A CB -1.148 17.783 19.000 -0.116 0.000 0.826 244 A HN 0.429 nan 8.150 nan 0.000 0.444 245 V N 0.462 120.145 119.914 -0.386 0.000 2.287 245 V HA -0.309 3.812 4.120 0.002 0.000 0.248 245 V C 2.578 178.393 176.094 -0.465 0.000 1.053 245 V CA 2.494 64.512 62.300 -0.471 0.000 1.027 245 V CB -0.713 30.695 31.823 -0.692 0.000 0.646 245 V HN 0.715 nan 8.190 nan 0.000 0.447 246 K N -0.271 119.915 120.400 -0.356 0.000 2.103 246 K HA -0.224 4.097 4.320 0.002 0.000 0.207 246 K C 2.423 178.888 176.600 -0.224 0.000 1.048 246 K CA 1.848 57.965 56.287 -0.282 0.000 0.930 246 K CB -0.234 32.152 32.500 -0.190 0.000 0.716 246 K HN 0.439 nan 8.250 nan 0.000 0.444 247 S N 0.251 115.846 115.700 -0.175 0.000 2.377 247 S HA 0.004 4.475 4.470 0.002 0.000 0.223 247 S C 1.870 176.418 174.600 -0.087 0.000 1.030 247 S CA 0.643 58.779 58.200 -0.106 0.000 0.970 247 S CB -0.144 63.017 63.200 -0.066 0.000 0.830 247 S HN 0.347 nan 8.310 nan 0.000 0.473 248 I N 1.185 121.693 120.570 -0.103 0.000 2.315 248 I HA -0.146 4.025 4.170 0.002 0.000 0.248 248 I C 2.555 178.632 176.117 -0.067 0.000 1.117 248 I CA 1.073 62.380 61.300 0.012 0.000 1.404 248 I CB -0.281 37.789 38.000 0.116 0.000 1.071 248 I HN 0.263 nan 8.210 nan 0.000 0.419 249 K N 1.073 121.233 120.400 -0.400 0.000 2.026 249 K HA -0.154 4.167 4.320 0.002 0.000 0.208 249 K C 2.334 178.850 176.600 -0.140 0.000 1.048 249 K CA 1.604 57.603 56.287 -0.479 0.000 0.929 249 K CB -0.290 31.779 32.500 -0.718 0.000 0.713 249 K HN 0.293 nan 8.250 nan 0.000 0.439 250 A N 1.476 124.219 122.820 -0.128 0.000 1.908 250 A HA -0.164 4.157 4.320 0.002 0.000 0.218 250 A C 2.355 179.932 177.584 -0.011 0.000 1.181 250 A CA 2.014 54.017 52.037 -0.058 0.000 0.627 250 A CB -0.751 18.211 19.000 -0.063 0.000 0.818 250 A HN 0.369 nan 8.150 nan 0.000 0.445 251 A N -0.076 122.747 122.820 0.004 0.000 1.972 251 A HA -0.009 4.312 4.320 0.002 0.000 0.219 251 A C 2.120 179.717 177.584 0.021 0.000 1.169 251 A CA 2.006 54.059 52.037 0.027 0.000 0.635 251 A CB -0.606 18.434 19.000 0.066 0.000 0.810 251 A HN 1.078 nan 8.150 nan 0.000 0.446 252 S N -0.416 115.322 115.700 0.063 0.000 2.574 252 S HA 0.120 4.592 4.470 0.002 0.000 0.242 252 S C 1.168 175.889 174.600 0.202 0.000 0.982 252 S CA 0.517 58.761 58.200 0.073 0.000 0.977 252 S CB -0.361 62.918 63.200 0.130 0.000 0.814 252 S HN 0.701 nan 8.310 nan 0.000 0.464 253 S N 0.575 116.347 115.700 0.121 0.000 2.595 253 S HA -0.093 4.378 4.470 0.002 0.000 0.235 253 S C 1.524 176.178 174.600 0.090 0.000 0.974 253 S CA 1.115 59.389 58.200 0.123 0.000 0.942 253 S CB -0.965 62.266 63.200 0.052 0.000 0.766 253 S HN 0.536 nan 8.310 nan 0.000 0.536 254 T N 1.057 115.643 114.554 0.053 0.000 3.163 254 T HA 0.127 4.479 4.350 0.002 0.000 0.260 254 T C 0.209 174.907 174.700 -0.003 0.000 1.156 254 T CA 0.463 62.566 62.100 0.006 0.000 1.072 254 T CB -0.225 68.622 68.868 -0.035 0.000 0.937 254 T HN 0.660 nan 8.240 nan 0.000 0.528 255 E N -0.023 120.196 120.200 0.031 0.000 2.433 255 E HA 0.423 4.775 4.350 0.002 0.000 0.278 255 E C -1.406 175.154 176.600 -0.068 0.000 0.976 255 E CA -0.950 55.403 56.400 -0.078 0.000 0.793 255 E CB 2.088 31.662 29.700 -0.210 0.000 1.311 255 E HN 0.004 nan 8.360 nan 0.000 0.460 256 K N 1.421 121.698 120.400 -0.205 0.000 2.164 256 K HA 0.509 4.831 4.320 0.002 0.000 0.258 256 K C -1.533 174.861 176.600 -0.345 0.000 0.951 256 K CA -0.426 55.814 56.287 -0.077 0.000 0.844 256 K CB 0.697 33.182 32.500 -0.024 0.000 1.099 256 K HN 0.247 nan 8.250 nan 0.000 0.435 257 F N 3.178 123.142 119.950 0.023 0.000 2.508 257 F HA 0.392 4.920 4.527 0.002 0.000 0.325 257 F C -1.810 173.938 175.800 -0.086 0.000 1.090 257 F CA -2.456 55.443 58.000 -0.168 0.000 0.945 257 F CB 1.065 39.848 39.000 -0.361 0.000 1.156 257 F HN 0.477 nan 8.300 nan 0.000 0.463 258 P HA -0.056 nan 4.420 nan 0.000 0.266 258 P C -0.625 176.751 177.300 0.127 0.000 1.186 258 P CA 0.122 63.238 63.100 0.026 0.000 0.767 258 P CB 0.467 32.145 31.700 -0.036 0.000 0.820 259 D N 1.610 122.078 120.400 0.113 0.000 2.488 259 D HA 0.168 4.809 4.640 0.002 0.000 0.238 259 D C 1.532 177.919 176.300 0.144 0.000 1.138 259 D CA 1.731 55.816 54.000 0.141 0.000 0.873 259 D CB 0.434 41.295 40.800 0.102 0.000 1.183 259 D HN 0.696 nan 8.370 nan 0.000 0.458 260 G N 2.205 111.108 108.800 0.172 0.000 2.195 260 G HA2 -0.366 3.595 3.960 0.002 0.000 0.246 260 G HA3 -0.366 3.595 3.960 0.002 0.000 0.246 260 G C 0.781 175.767 174.900 0.143 0.000 0.984 260 G CA 0.299 45.488 45.100 0.149 0.000 0.633 260 G HN 0.505 nan 8.290 nan 0.000 0.525 261 F N 0.695 120.626 119.950 -0.032 0.000 2.102 261 F HA 0.118 4.646 4.527 0.002 0.000 0.298 261 F C 2.212 177.859 175.800 -0.256 0.000 1.105 261 F CA 2.073 59.957 58.000 -0.193 0.000 1.239 261 F CB -0.422 38.346 39.000 -0.388 0.000 0.991 261 F HN 0.259 nan 8.300 nan 0.000 0.474 262 W N 0.519 121.668 121.300 -0.250 0.000 2.721 262 W HA 0.017 4.678 4.660 0.002 0.000 0.245 262 W C 1.355 177.865 176.519 -0.016 0.000 1.276 262 W CA 0.240 57.326 57.345 -0.431 0.000 1.342 262 W CB -0.364 28.936 29.460 -0.267 0.000 1.135 262 W HN 0.015 nan 8.180 nan 0.000 0.654 263 L N 0.213 121.550 121.223 0.189 0.000 2.667 263 L HA 0.348 4.689 4.340 0.002 0.000 0.232 263 L C 1.855 178.810 176.870 0.143 0.000 1.138 263 L CA 0.469 55.438 54.840 0.214 0.000 0.921 263 L CB -0.575 41.580 42.059 0.159 0.000 1.180 263 L HN 0.203 nan 8.230 nan 0.000 0.487 264 G N 0.292 109.157 108.800 0.109 0.000 2.189 264 G HA2 -0.314 3.647 3.960 0.002 0.000 0.267 264 G HA3 -0.314 3.647 3.960 0.002 0.000 0.267 264 G C 0.756 175.692 174.900 0.061 0.000 0.975 264 G CA 0.877 46.022 45.100 0.075 0.000 0.644 264 G HN 0.480 nan 8.290 nan 0.000 0.537 265 E N -0.355 119.885 120.200 0.067 0.000 2.023 265 E HA 0.058 4.409 4.350 0.002 0.000 0.195 265 E C 0.851 177.504 176.600 0.088 0.000 0.964 265 E CA 0.400 56.843 56.400 0.072 0.000 0.845 265 E CB -0.151 29.594 29.700 0.075 0.000 0.813 265 E HN 0.401 nan 8.360 nan 0.000 0.476 266 Q N 1.411 121.276 119.800 0.108 0.000 2.352 266 Q HA 0.203 4.544 4.340 0.002 0.000 0.260 266 Q C -0.124 176.002 176.000 0.210 0.000 0.976 266 Q CA -0.083 55.794 55.803 0.125 0.000 0.881 266 Q CB 0.778 29.582 28.738 0.111 0.000 1.235 266 Q HN 0.145 nan 8.270 nan 0.000 0.419 267 L N -0.315 120.999 121.223 0.151 0.000 2.387 267 L HA 0.781 5.123 4.340 0.002 0.000 0.266 267 L C 0.099 176.982 176.870 0.022 0.000 1.059 267 L CA -1.046 53.901 54.840 0.179 0.000 0.801 267 L CB 0.509 42.628 42.059 0.100 0.000 1.223 267 L HN 0.282 nan 8.230 nan 0.000 0.456 268 V N -2.559 117.305 119.914 -0.084 0.000 2.815 268 V HA 0.889 5.010 4.120 0.002 0.000 0.314 268 V C -0.372 175.450 176.094 -0.455 0.000 1.064 268 V CA -0.568 61.462 62.300 -0.448 0.000 0.952 268 V CB 1.228 32.545 31.823 -0.843 0.000 1.020 268 V HN 1.077 nan 8.190 nan 0.000 0.439 269 c N 1.857 120.041 118.600 -0.693 0.000 3.080 269 c HA 0.858 5.429 4.570 0.002 0.000 0.307 269 c C -1.100 172.573 174.090 -0.696 0.000 1.311 269 c CA -0.442 55.602 56.329 -0.475 0.000 1.533 269 c CB 1.835 44.190 42.510 -0.258 0.000 1.970 269 c HN 1.010 nan 8.230 nan 0.000 0.467 270 W N 0.365 121.651 121.300 -0.022 0.000 3.213 270 W HA 0.358 5.020 4.660 0.003 0.000 0.318 270 W C -0.774 175.733 176.519 -0.020 0.000 1.248 270 W CA -0.494 56.831 57.345 -0.034 0.000 1.187 270 W CB 1.025 30.464 29.460 -0.035 0.000 1.403 270 W HN 0.696 nan 8.180 nan 0.000 0.556 271 Q N 1.116 121.040 119.800 0.206 0.000 2.386 271 Q HA 0.253 4.594 4.340 0.002 0.000 0.282 271 Q C 0.533 176.610 176.000 0.128 0.000 1.050 271 Q CA 0.246 56.119 55.803 0.118 0.000 0.918 271 Q CB 0.661 29.450 28.738 0.086 0.000 1.266 271 Q HN 0.410 nan 8.270 nan 0.000 0.423 272 A N 1.863 124.738 122.820 0.092 0.000 2.572 272 A HA 0.231 4.552 4.320 0.002 0.000 0.256 272 A C 1.247 178.894 177.584 0.105 0.000 1.041 272 A CA 0.852 52.946 52.037 0.094 0.000 0.790 272 A CB -0.955 18.084 19.000 0.066 0.000 0.947 272 A HN 1.062 nan 8.150 nan 0.000 0.518 273 G N 2.034 110.916 108.800 0.138 0.000 2.153 273 G HA2 -0.232 3.729 3.960 0.002 0.000 0.252 273 G HA3 -0.232 3.729 3.960 0.002 0.000 0.252 273 G C 0.718 175.679 174.900 0.101 0.000 0.994 273 G CA 1.315 46.498 45.100 0.139 0.000 0.698 273 G HN 2.209 nan 8.290 nan 0.000 0.521 274 T N -2.673 111.927 114.554 0.075 0.000 3.085 274 T HA 0.398 4.749 4.350 0.002 0.000 0.264 274 T C 0.856 175.435 174.700 -0.201 0.000 1.019 274 T CA 0.819 62.916 62.100 -0.004 0.000 0.910 274 T CB 0.428 69.324 68.868 0.046 0.000 1.059 274 T HN 0.346 nan 8.240 nan 0.000 0.542 275 T N 6.075 120.461 114.554 -0.281 0.000 2.831 275 T HA 0.176 4.527 4.350 0.002 0.000 0.291 275 T C -2.160 171.946 174.700 -0.990 0.000 0.981 275 T CA -0.546 61.020 62.100 -0.889 0.000 1.174 275 T CB 0.702 68.937 68.868 -1.056 0.000 0.929 275 T HN 0.250 nan 8.240 nan 0.000 0.532 276 P HA 0.115 nan 4.420 nan 0.000 0.225 276 P C 0.200 177.282 177.300 -0.363 0.000 1.813 276 P CA -0.371 62.372 63.100 -0.595 0.000 1.013 276 P CB -0.256 31.090 31.700 -0.589 0.000 1.961 277 W N 2.348 123.603 121.300 -0.075 0.000 2.321 277 W HA -0.294 4.367 4.660 0.001 0.000 0.306 277 W C 2.165 178.731 176.519 0.079 0.000 1.217 277 W CA 1.540 58.935 57.345 0.083 0.000 1.257 277 W CB -1.577 27.895 29.460 0.020 0.000 1.145 277 W HN 0.284 nan 8.180 nan 0.000 0.509 278 N N 1.799 120.625 118.700 0.210 0.000 2.247 278 N HA -0.259 4.482 4.740 0.002 0.000 0.189 278 N C 1.383 176.902 175.510 0.015 0.000 1.009 278 N CA 2.370 55.474 53.050 0.090 0.000 0.872 278 N CB -1.327 37.161 38.487 0.002 0.000 0.980 278 N HN 0.459 nan 8.380 nan 0.000 0.436 279 I N -4.605 115.899 120.570 -0.110 0.000 3.059 279 I HA 0.199 4.371 4.170 0.002 0.000 0.270 279 I C -0.397 175.602 176.117 -0.197 0.000 1.238 279 I CA -0.042 61.130 61.300 -0.213 0.000 1.478 279 I CB -0.276 37.503 38.000 -0.368 0.000 1.097 279 I HN -0.173 nan 8.210 nan 0.000 0.455 280 F N 4.572 124.623 119.950 0.169 0.000 2.411 280 F HA 0.505 5.033 4.527 0.002 0.000 0.350 280 F C -1.947 174.006 175.800 0.255 0.000 1.114 280 F CA -3.059 55.102 58.000 0.268 0.000 1.135 280 F CB 0.249 39.421 39.000 0.287 0.000 1.120 280 F HN -0.101 nan 8.300 nan 0.000 0.495 281 P HA 0.133 nan 4.420 nan 0.000 0.274 281 P C -0.611 176.903 177.300 0.357 0.000 1.237 281 P CA -0.151 63.134 63.100 0.309 0.000 0.793 281 P CB 1.505 33.340 31.700 0.226 0.000 0.977 282 V N 2.905 122.955 119.914 0.226 0.000 2.644 282 V HA 0.275 4.396 4.120 0.002 0.000 0.295 282 V C 0.742 176.931 176.094 0.158 0.000 1.053 282 V CA -0.483 61.937 62.300 0.199 0.000 0.987 282 V CB 0.844 32.733 31.823 0.111 0.000 1.006 282 V HN 0.354 nan 8.190 nan 0.000 0.472 283 I N 2.860 123.520 120.570 0.150 0.000 2.378 283 I HA 0.373 4.544 4.170 0.002 0.000 0.291 283 I C -0.076 176.028 176.117 -0.022 0.000 0.992 283 I CA -0.075 61.256 61.300 0.051 0.000 1.154 283 I CB 1.849 39.863 38.000 0.023 0.000 1.315 283 I HN 0.493 nan 8.210 nan 0.000 0.448 284 S N 7.276 122.931 115.700 -0.074 0.000 2.433 284 S HA 0.572 5.043 4.470 0.002 0.000 0.310 284 S C -0.347 174.110 174.600 -0.238 0.000 1.097 284 S CA -0.579 57.501 58.200 -0.201 0.000 1.103 284 S CB 0.877 63.941 63.200 -0.227 0.000 0.992 284 S HN 0.355 nan 8.310 nan 0.000 0.469 285 L N 4.182 125.190 121.223 -0.359 0.000 2.276 285 L HA 0.457 4.798 4.340 0.002 0.000 0.286 285 L C -1.169 175.391 176.870 -0.515 0.000 1.024 285 L CA -0.750 53.875 54.840 -0.360 0.000 0.826 285 L CB 0.426 42.273 42.059 -0.354 0.000 1.211 285 L HN 0.595 nan 8.230 nan 0.000 0.422 286 Y N 4.019 124.021 120.300 -0.497 0.000 2.336 286 Y HA 0.425 4.976 4.550 0.002 0.000 0.335 286 Y C 0.157 175.720 175.900 -0.562 0.000 1.046 286 Y CA -0.288 57.475 58.100 -0.561 0.000 1.198 286 Y CB 0.936 39.106 38.460 -0.483 0.000 1.182 286 Y HN 0.381 nan 8.280 nan 0.000 0.502 287 L N 4.549 125.346 121.223 -0.710 0.000 2.317 287 L HA 0.443 4.784 4.340 0.002 0.000 0.281 287 L C 0.107 176.702 176.870 -0.459 0.000 1.024 287 L CA -0.921 53.529 54.840 -0.649 0.000 0.810 287 L CB 1.557 43.047 42.059 -0.950 0.000 1.240 287 L HN 0.627 nan 8.230 nan 0.000 0.427 288 M N 2.089 121.584 119.600 -0.175 0.000 2.260 288 M HA 0.153 4.634 4.480 0.002 0.000 0.348 288 M C 0.627 176.976 176.300 0.083 0.000 1.342 288 M CA 0.266 55.552 55.300 -0.022 0.000 1.040 288 M CB 0.569 33.186 32.600 0.029 0.000 1.810 288 M HN 0.711 nan 8.290 nan 0.000 0.453 289 G N 3.558 112.461 108.800 0.172 0.000 2.616 289 G HA2 0.142 4.103 3.960 0.002 0.000 0.268 289 G HA3 0.142 4.103 3.960 0.002 0.000 0.268 289 G C 0.193 175.233 174.900 0.233 0.000 1.213 289 G CA -0.477 44.813 45.100 0.316 0.000 0.926 289 G HN 0.921 nan 8.290 nan 0.000 0.523 290 E N -1.478 118.866 120.200 0.240 0.000 2.204 290 E HA -0.045 4.307 4.350 0.002 0.000 0.194 290 E C 0.274 176.949 176.600 0.125 0.000 0.989 290 E CA 0.633 57.128 56.400 0.158 0.000 0.824 290 E CB 0.121 29.898 29.700 0.128 0.000 0.756 290 E HN 0.090 nan 8.360 nan 0.000 0.477 291 V N 1.139 121.141 119.914 0.145 0.000 2.588 291 V HA 0.008 4.129 4.120 0.002 0.000 0.304 291 V C 1.107 177.285 176.094 0.139 0.000 1.042 291 V CA -0.290 62.081 62.300 0.118 0.000 0.877 291 V CB 1.742 33.629 31.823 0.105 0.000 0.996 291 V HN 0.188 nan 8.190 nan 0.000 0.425 292 T N -0.322 114.297 114.554 0.109 0.000 3.077 292 T HA -0.120 4.231 4.350 0.002 0.000 0.269 292 T C 0.950 175.722 174.700 0.121 0.000 1.146 292 T CA 1.412 63.576 62.100 0.107 0.000 1.091 292 T CB -0.440 68.474 68.868 0.076 0.000 0.892 292 T HN 0.753 nan 8.240 nan 0.000 0.533 293 N N 0.136 118.913 118.700 0.129 0.000 2.214 293 N HA 0.029 4.770 4.740 0.002 0.000 0.214 293 N C 0.740 176.363 175.510 0.188 0.000 1.132 293 N CA -0.272 52.857 53.050 0.131 0.000 0.856 293 N CB 0.172 38.716 38.487 0.095 0.000 1.020 293 N HN 0.362 nan 8.380 nan 0.000 0.509 294 Q N 0.146 120.093 119.800 0.244 0.000 2.135 294 Q HA 0.301 4.642 4.340 0.002 0.000 0.231 294 Q C -0.345 175.954 176.000 0.498 0.000 0.817 294 Q CA -0.132 55.903 55.803 0.385 0.000 1.073 294 Q CB 1.013 29.945 28.738 0.324 0.000 1.176 294 Q HN 0.160 nan 8.270 nan 0.000 0.478 295 S N 1.298 117.213 115.700 0.359 0.000 2.617 295 S HA 0.582 5.053 4.470 0.002 0.000 0.259 295 S C 0.028 174.833 174.600 0.342 0.000 1.301 295 S CA -0.217 58.169 58.200 0.311 0.000 0.984 295 S CB 0.321 63.616 63.200 0.159 0.000 0.954 295 S HN 0.360 nan 8.310 nan 0.000 0.572 296 F N -1.426 118.506 119.950 -0.029 0.000 2.745 296 F HA 0.769 5.297 4.527 0.002 0.000 0.316 296 F C -0.788 174.723 175.800 -0.482 0.000 1.155 296 F CA -1.516 56.309 58.000 -0.292 0.000 0.937 296 F CB 1.265 39.907 39.000 -0.598 0.000 1.361 296 F HN 0.572 nan 8.300 nan 0.000 0.472 297 R N 1.929 122.069 120.500 -0.600 0.000 2.807 297 R HA 0.859 5.200 4.340 0.002 0.000 0.276 297 R C -1.536 174.434 176.300 -0.550 0.000 0.979 297 R CA -0.944 54.577 56.100 -0.965 0.000 0.928 297 R CB 2.625 31.885 30.300 -1.734 0.000 1.191 297 R HN 0.988 nan 8.270 nan 0.000 0.471 298 I N -0.521 119.694 120.570 -0.591 0.000 2.433 298 I HA 0.473 4.644 4.170 0.002 0.000 0.292 298 I C -0.528 175.419 176.117 -0.285 0.000 1.001 298 I CA -0.828 60.187 61.300 -0.475 0.000 1.119 298 I CB 2.349 39.787 38.000 -0.937 0.000 1.289 298 I HN 0.777 nan 8.210 nan 0.000 0.438 299 T N 4.504 119.044 114.554 -0.023 0.000 2.795 299 T HA 0.625 4.976 4.350 0.002 0.000 0.282 299 T C -0.239 174.560 174.700 0.166 0.000 0.980 299 T CA -0.676 61.433 62.100 0.015 0.000 1.012 299 T CB 1.498 70.363 68.868 -0.005 0.000 0.936 299 T HN 0.441 nan 8.240 nan 0.000 0.457 300 I N 4.161 124.807 120.570 0.126 0.000 2.321 300 I HA 0.363 4.534 4.170 0.002 0.000 0.291 300 I C 0.331 176.543 176.117 0.157 0.000 0.998 300 I CA -1.213 60.193 61.300 0.177 0.000 1.227 300 I CB 1.019 39.142 38.000 0.205 0.000 1.368 300 I HN 0.688 nan 8.210 nan 0.000 0.466 301 L N 7.838 129.086 121.223 0.042 0.000 2.399 301 L HA 0.353 4.694 4.340 0.002 0.000 0.265 301 L C -0.982 175.730 176.870 -0.264 0.000 1.089 301 L CA -1.462 53.345 54.840 -0.055 0.000 0.802 301 L CB 0.968 42.939 42.059 -0.148 0.000 1.180 301 L HN 0.328 nan 8.230 nan 0.000 0.454 302 P HA -0.166 nan 4.420 nan 0.000 0.220 302 P C 0.853 177.823 177.300 -0.550 0.000 1.148 302 P CA 1.108 63.641 63.100 -0.946 0.000 0.803 302 P CB 0.309 31.866 31.700 -0.239 0.000 0.782 303 Q N -0.386 119.105 119.800 -0.514 0.000 2.364 303 Q HA -0.119 4.222 4.340 0.002 0.000 0.209 303 Q C 2.334 178.186 176.000 -0.248 0.000 0.977 303 Q CA 1.343 56.801 55.803 -0.574 0.000 0.885 303 Q CB -0.486 27.808 28.738 -0.739 0.000 0.941 303 Q HN 0.461 nan 8.270 nan 0.000 0.464 304 Q N -1.447 118.218 119.800 -0.225 0.000 2.200 304 Q HA -0.038 4.303 4.340 0.002 0.000 0.197 304 Q C 1.003 177.017 176.000 0.023 0.000 0.953 304 Q CA 0.766 56.529 55.803 -0.067 0.000 0.851 304 Q CB 0.207 28.941 28.738 -0.007 0.000 0.938 304 Q HN 0.660 nan 8.270 nan 0.000 0.488 305 Y N -1.241 119.068 120.300 0.015 0.000 2.471 305 Y HA 0.360 4.911 4.550 0.002 0.000 0.286 305 Y C 0.082 175.980 175.900 -0.003 0.000 1.188 305 Y CA -0.073 58.010 58.100 -0.028 0.000 1.286 305 Y CB -0.062 38.357 38.460 -0.069 0.000 1.072 305 Y HN -0.138 nan 8.280 nan 0.000 0.517 306 L N 2.964 124.214 121.223 0.045 0.000 2.387 306 L HA 0.399 4.740 4.340 0.002 0.000 0.259 306 L C 0.017 177.053 176.870 0.278 0.000 1.050 306 L CA -0.578 54.346 54.840 0.141 0.000 0.922 306 L CB 0.832 42.826 42.059 -0.109 0.000 1.280 306 L HN 0.118 nan 8.230 nan 0.000 0.449 307 R N 3.916 124.580 120.500 0.274 0.000 2.370 307 R HA 0.225 4.566 4.340 0.002 0.000 0.309 307 R C -2.342 174.162 176.300 0.341 0.000 1.059 307 R CA -1.229 55.028 56.100 0.261 0.000 0.981 307 R CB 0.709 31.106 30.300 0.162 0.000 0.972 307 R HN 0.162 nan 8.270 nan 0.000 0.437 308 P HA -0.032 nan 4.420 nan 0.000 0.268 308 P C -1.204 176.116 177.300 0.034 0.000 1.204 308 P CA -0.116 63.060 63.100 0.127 0.000 0.768 308 P CB 0.986 32.761 31.700 0.125 0.000 0.842 309 V N -0.074 119.808 119.914 -0.053 0.000 2.925 309 V HA 0.561 4.682 4.120 0.002 0.000 0.311 309 V C -0.323 175.732 176.094 -0.064 0.000 1.104 309 V CA -1.470 60.813 62.300 -0.027 0.000 0.954 309 V CB 1.990 33.819 31.823 0.011 0.000 1.022 309 V HN 0.260 nan 8.190 nan 0.000 0.427 310 E N 2.147 122.323 120.200 -0.040 0.000 2.415 310 E HA 0.144 4.495 4.350 0.002 0.000 0.263 310 E C -0.203 176.369 176.600 -0.046 0.000 0.995 310 E CA 0.222 56.596 56.400 -0.043 0.000 0.915 310 E CB 0.617 30.300 29.700 -0.028 0.000 0.951 310 E HN 0.874 nan 8.360 nan 0.000 0.449 311 D N 2.994 123.362 120.400 -0.054 0.000 2.424 311 D HA -0.037 4.604 4.640 0.002 0.000 0.244 311 D C 0.615 176.892 176.300 -0.038 0.000 1.134 311 D CA -0.081 53.887 54.000 -0.054 0.000 0.881 311 D CB 1.242 42.008 40.800 -0.056 0.000 1.191 311 D HN 0.274 nan 8.370 nan 0.000 0.445 312 V N 2.879 122.772 119.914 -0.035 0.000 2.591 312 V HA 0.036 4.157 4.120 0.002 0.000 0.249 312 V C 1.180 177.259 176.094 -0.025 0.000 1.053 312 V CA 1.347 63.632 62.300 -0.025 0.000 1.068 312 V CB -0.853 30.958 31.823 -0.020 0.000 0.689 312 V HN 0.653 nan 8.190 nan 0.000 0.462 313 A N -0.370 122.432 122.820 -0.030 0.000 2.279 313 A HA 0.516 4.837 4.320 0.002 0.000 0.303 313 A C 0.431 177.999 177.584 -0.025 0.000 1.108 313 A CA -0.209 51.811 52.037 -0.027 0.000 0.830 313 A CB 0.219 19.200 19.000 -0.033 0.000 1.106 313 A HN 0.246 nan 8.150 nan 0.000 0.493 314 T N 2.561 117.103 114.554 -0.020 0.000 2.771 314 T HA 0.458 4.809 4.350 0.002 0.000 0.277 314 T C 0.039 174.729 174.700 -0.017 0.000 0.919 314 T CA 0.723 62.813 62.100 -0.017 0.000 1.163 314 T CB -0.681 68.180 68.868 -0.013 0.000 0.876 314 T HN 0.648 nan 8.240 nan 0.000 0.545 315 S N 2.400 118.090 115.700 -0.018 0.000 2.661 315 S HA 0.294 4.765 4.470 0.002 0.000 0.268 315 S C -0.026 174.567 174.600 -0.011 0.000 1.162 315 S CA -0.955 57.235 58.200 -0.015 0.000 0.817 315 S CB 1.671 64.857 63.200 -0.023 0.000 1.141 315 S HN 0.643 nan 8.310 nan 0.000 0.477 316 Q N 0.122 119.920 119.800 -0.004 0.000 2.179 316 Q HA 0.246 4.587 4.340 0.002 0.000 0.213 316 Q C -1.073 174.933 176.000 0.010 0.000 0.833 316 Q CA -0.179 55.626 55.803 0.004 0.000 0.990 316 Q CB 0.304 29.049 28.738 0.013 0.000 1.132 316 Q HN 0.450 nan 8.270 nan 0.000 0.493 317 D N 1.532 121.932 120.400 -0.001 0.000 2.382 317 D HA 0.050 4.691 4.640 0.002 0.000 0.240 317 D C -0.506 175.787 176.300 -0.012 0.000 1.146 317 D CA 0.382 54.386 54.000 0.007 0.000 0.897 317 D CB 0.706 41.494 40.800 -0.020 0.000 1.197 317 D HN -0.070 nan 8.370 nan 0.000 0.432 318 D N 0.816 121.230 120.400 0.024 0.000 2.317 318 D HA 0.240 4.882 4.640 0.002 0.000 0.234 318 D C -0.434 175.753 176.300 -0.189 0.000 1.112 318 D CA -0.231 53.728 54.000 -0.068 0.000 0.840 318 D CB 0.532 41.388 40.800 0.094 0.000 1.078 318 D HN 0.178 nan 8.370 nan 0.000 0.486 319 c N 2.656 121.026 118.600 -0.384 0.000 2.470 319 c HA 0.697 5.268 4.570 0.002 0.000 0.341 319 c C -0.509 173.254 174.090 -0.545 0.000 1.190 319 c CA -0.703 55.435 56.329 -0.319 0.000 1.904 319 c CB 0.154 42.566 42.510 -0.164 0.000 2.354 319 c HN 0.548 nan 8.230 nan 0.000 0.509 320 Y N -0.458 119.906 120.300 0.106 0.000 2.625 320 Y HA 0.570 5.121 4.550 0.002 0.000 0.338 320 Y C -0.125 175.914 175.900 0.232 0.000 1.123 320 Y CA -1.032 57.177 58.100 0.182 0.000 1.046 320 Y CB 1.245 39.855 38.460 0.251 0.000 1.299 320 Y HN 0.429 nan 8.280 nan 0.000 0.464 321 K N 0.936 121.579 120.400 0.405 0.000 2.316 321 K HA 0.375 4.697 4.320 0.002 0.000 0.251 321 K C -1.610 175.161 176.600 0.286 0.000 0.934 321 K CA -0.955 55.522 56.287 0.317 0.000 0.802 321 K CB 2.105 34.714 32.500 0.181 0.000 1.171 321 K HN 0.514 nan 8.250 nan 0.000 0.426 322 F N 2.307 122.182 119.950 -0.125 0.000 2.519 322 F HA 0.087 4.615 4.527 0.002 0.000 0.375 322 F C 0.618 176.393 175.800 -0.042 0.000 1.084 322 F CA -0.466 57.383 58.000 -0.252 0.000 1.147 322 F CB 0.309 38.841 39.000 -0.781 0.000 1.088 322 F HN 0.639 nan 8.300 nan 0.000 0.555 323 A N 7.847 130.539 122.820 -0.213 0.000 2.579 323 A HA 0.368 4.689 4.320 0.002 0.000 0.273 323 A C 0.194 177.577 177.584 -0.335 0.000 1.363 323 A CA -0.142 51.788 52.037 -0.179 0.000 0.953 323 A CB -1.108 17.887 19.000 -0.010 0.000 1.034 323 A HN 0.604 nan 8.150 nan 0.000 0.536 324 I N 1.146 121.274 120.570 -0.737 0.000 2.447 324 I HA 0.360 4.531 4.170 0.002 0.000 0.287 324 I C -0.147 175.871 176.117 -0.165 0.000 1.023 324 I CA -0.320 60.670 61.300 -0.516 0.000 1.083 324 I CB 2.222 39.772 38.000 -0.750 0.000 1.245 324 I HN 0.303 nan 8.210 nan 0.000 0.434 325 S N 4.330 119.983 115.700 -0.078 0.000 2.661 325 S HA 0.493 4.964 4.470 0.002 0.000 0.285 325 S C -0.896 173.361 174.600 -0.571 0.000 1.138 325 S CA -0.907 57.135 58.200 -0.264 0.000 0.855 325 S CB 2.066 65.154 63.200 -0.186 0.000 1.136 325 S HN 0.640 nan 8.310 nan 0.000 0.484 326 Q N 0.511 119.710 119.800 -1.001 0.000 2.293 326 Q HA 0.584 4.925 4.340 0.002 0.000 0.251 326 Q C -0.655 175.158 176.000 -0.312 0.000 0.930 326 Q CA -0.304 55.051 55.803 -0.747 0.000 0.893 326 Q CB 1.087 29.338 28.738 -0.813 0.000 1.215 326 Q HN 0.762 nan 8.270 nan 0.000 0.425 327 S N 1.035 116.626 115.700 -0.181 0.000 2.568 327 S HA 0.425 4.896 4.470 0.002 0.000 0.293 327 S C -0.154 174.390 174.600 -0.095 0.000 1.089 327 S CA -0.180 57.947 58.200 -0.122 0.000 0.945 327 S CB 1.610 64.747 63.200 -0.105 0.000 1.077 327 S HN 0.729 nan 8.310 nan 0.000 0.485 328 S N 0.898 116.541 115.700 -0.095 0.000 2.559 328 S HA 0.144 4.615 4.470 0.002 0.000 0.226 328 S C 0.696 175.208 174.600 -0.147 0.000 1.000 328 S CA 0.366 58.510 58.200 -0.092 0.000 0.948 328 S CB -0.134 63.031 63.200 -0.058 0.000 0.870 328 S HN 0.892 nan 8.310 nan 0.000 0.497 329 T N -1.545 112.913 114.554 -0.160 0.000 3.296 329 T HA 0.627 4.978 4.350 0.002 0.000 0.285 329 T C 0.808 175.367 174.700 -0.236 0.000 1.014 329 T CA 0.019 62.001 62.100 -0.197 0.000 0.920 329 T CB 0.008 68.778 68.868 -0.163 0.000 1.143 329 T HN 1.262 nan 8.240 nan 0.000 0.522 330 G N 1.029 109.689 108.800 -0.232 0.000 2.712 330 G HA2 -0.042 3.919 3.960 0.002 0.000 0.683 330 G HA3 -0.042 3.919 3.960 0.002 0.000 0.683 330 G C -0.429 174.399 174.900 -0.119 0.000 1.320 330 G CA -0.704 44.281 45.100 -0.192 0.000 0.847 330 G HN 0.461 nan 8.290 nan 0.000 0.553 331 T N 0.055 114.568 114.554 -0.069 0.000 2.916 331 T HA 0.454 4.805 4.350 0.002 0.000 0.303 331 T C 0.442 175.104 174.700 -0.063 0.000 1.025 331 T CA 0.336 62.411 62.100 -0.040 0.000 1.142 331 T CB 1.113 69.978 68.868 -0.005 0.000 0.947 331 T HN 1.152 nan 8.240 nan 0.000 0.544 332 V N 5.314 125.197 119.914 -0.051 0.000 2.409 332 V HA 0.312 4.433 4.120 0.002 0.000 0.290 332 V C -0.010 176.078 176.094 -0.010 0.000 1.017 332 V CA -0.676 61.598 62.300 -0.043 0.000 0.841 332 V CB 1.469 33.260 31.823 -0.053 0.000 1.003 332 V HN 0.893 nan 8.190 nan 0.000 0.426 333 M N 4.591 124.200 119.600 0.015 0.000 2.497 333 M HA 0.367 4.848 4.480 0.002 0.000 0.336 333 M C 1.011 177.351 176.300 0.068 0.000 1.378 333 M CA 0.148 55.470 55.300 0.037 0.000 1.375 333 M CB 0.525 33.155 32.600 0.050 0.000 1.337 333 M HN 0.811 nan 8.290 nan 0.000 0.461 334 G N 1.006 109.839 108.800 0.055 0.000 2.508 334 G HA2 0.438 4.399 3.960 0.002 0.000 0.278 334 G HA3 0.438 4.399 3.960 0.002 0.000 0.278 334 G C 0.901 175.857 174.900 0.092 0.000 1.389 334 G CA 0.029 45.169 45.100 0.067 0.000 1.050 334 G HN 0.733 nan 8.290 nan 0.000 0.522 335 A N -1.076 121.804 122.820 0.100 0.000 1.908 335 A HA -0.070 4.251 4.320 0.002 0.000 0.218 335 A C 2.602 180.262 177.584 0.126 0.000 1.181 335 A CA 3.081 55.192 52.037 0.124 0.000 0.627 335 A CB -1.046 18.080 19.000 0.209 0.000 0.818 335 A HN 1.361 nan 8.150 nan 0.000 0.445 336 V N -2.301 117.682 119.914 0.115 0.000 2.720 336 V HA -0.177 3.944 4.120 0.002 0.000 0.256 336 V C 2.003 178.173 176.094 0.128 0.000 1.082 336 V CA 1.730 64.096 62.300 0.110 0.000 1.101 336 V CB -0.841 31.038 31.823 0.094 0.000 0.693 336 V HN 0.427 nan 8.190 nan 0.000 0.479 337 I N -0.321 120.334 120.570 0.142 0.000 2.494 337 I HA 0.018 4.190 4.170 0.002 0.000 0.250 337 I C 2.603 178.908 176.117 0.313 0.000 1.112 337 I CA 1.546 62.965 61.300 0.198 0.000 1.438 337 I CB -0.812 37.266 38.000 0.130 0.000 1.111 337 I HN 0.315 nan 8.210 nan 0.000 0.431 338 M N 0.279 120.019 119.600 0.233 0.000 2.229 338 M HA -0.125 4.356 4.480 0.002 0.000 0.264 338 M C 0.522 176.941 176.300 0.197 0.000 1.063 338 M CA 0.984 56.430 55.300 0.243 0.000 1.114 338 M CB -0.397 32.274 32.600 0.117 0.000 1.387 338 M HN 0.122 nan 8.290 nan 0.000 0.420 339 E N 0.160 120.423 120.200 0.105 0.000 2.414 339 E HA 0.135 4.487 4.350 0.002 0.000 0.263 339 E C 0.963 177.527 176.600 -0.059 0.000 1.000 339 E CA 0.537 56.948 56.400 0.019 0.000 0.914 339 E CB 0.318 30.038 29.700 0.033 0.000 0.948 339 E HN 0.486 nan 8.360 nan 0.000 0.444 340 G N 2.575 111.294 108.800 -0.136 0.000 2.195 340 G HA2 -0.285 3.676 3.960 0.002 0.000 0.246 340 G HA3 -0.285 3.676 3.960 0.002 0.000 0.246 340 G C -0.140 174.440 174.900 -0.534 0.000 0.984 340 G CA -0.239 44.658 45.100 -0.339 0.000 0.633 340 G HN 0.438 nan 8.290 nan 0.000 0.525 341 F N -0.894 119.113 119.950 0.095 0.000 2.563 341 F HA 0.662 5.190 4.527 0.002 0.000 0.316 341 F C -0.235 175.633 175.800 0.113 0.000 1.076 341 F CA -1.541 56.535 58.000 0.127 0.000 0.921 341 F CB 1.591 40.708 39.000 0.195 0.000 1.209 341 F HN 0.011 nan 8.300 nan 0.000 0.462 342 Y N 2.888 123.262 120.300 0.124 0.000 2.353 342 Y HA 0.633 5.184 4.550 0.002 0.000 0.340 342 Y C -1.032 174.724 175.900 -0.240 0.000 0.972 342 Y CA -1.433 56.634 58.100 -0.055 0.000 1.157 342 Y CB 0.808 39.227 38.460 -0.068 0.000 1.157 342 Y HN 0.282 nan 8.280 nan 0.000 0.495 343 V N 7.475 127.075 119.914 -0.523 0.000 2.370 343 V HA 0.351 4.472 4.120 0.002 0.000 0.283 343 V C -0.527 174.987 176.094 -0.966 0.000 1.023 343 V CA -0.978 60.791 62.300 -0.886 0.000 0.857 343 V CB 1.243 32.598 31.823 -0.780 0.000 0.985 343 V HN 0.545 nan 8.190 nan 0.000 0.443 344 V N 5.724 125.006 119.914 -1.054 0.000 2.350 344 V HA 0.399 4.520 4.120 0.002 0.000 0.276 344 V C -0.350 175.234 176.094 -0.850 0.000 1.028 344 V CA -0.275 61.539 62.300 -0.810 0.000 0.860 344 V CB 0.969 32.444 31.823 -0.581 0.000 0.990 344 V HN 0.712 nan 8.190 nan 0.000 0.453 345 F N 2.838 122.270 119.950 -0.864 0.000 2.425 345 F HA 0.279 4.807 4.527 0.002 0.000 0.354 345 F C 0.832 176.263 175.800 -0.615 0.000 1.162 345 F CA -0.451 56.982 58.000 -0.945 0.000 1.250 345 F CB 0.462 38.347 39.000 -1.858 0.000 1.579 345 F HN 0.432 nan 8.300 nan 0.000 0.589 346 D N 2.863 123.138 120.400 -0.208 0.000 2.551 346 D HA 0.085 4.727 4.640 0.002 0.000 0.223 346 D C 1.430 177.752 176.300 0.036 0.000 1.144 346 D CA 0.135 54.092 54.000 -0.071 0.000 1.025 346 D CB 0.246 41.016 40.800 -0.050 0.000 1.085 346 D HN 0.440 nan 8.370 nan 0.000 0.506 347 R N 1.573 122.130 120.500 0.095 0.000 2.096 347 R HA -0.120 4.221 4.340 0.002 0.000 0.235 347 R C 2.143 178.557 176.300 0.191 0.000 1.127 347 R CA 1.446 57.694 56.100 0.247 0.000 0.968 347 R CB -0.098 30.387 30.300 0.307 0.000 0.861 347 R HN 0.351 nan 8.270 nan 0.000 0.440 348 A N 1.206 124.107 122.820 0.136 0.000 1.940 348 A HA -0.167 4.154 4.320 0.002 0.000 0.219 348 A C 1.707 179.324 177.584 0.054 0.000 1.176 348 A CA 1.381 53.476 52.037 0.096 0.000 0.631 348 A CB -0.214 18.831 19.000 0.075 0.000 0.814 348 A HN 0.238 nan 8.150 nan 0.000 0.446 349 R N -1.225 119.289 120.500 0.025 0.000 2.546 349 R HA 0.197 4.538 4.340 0.002 0.000 0.320 349 R C -0.523 175.785 176.300 0.013 0.000 1.021 349 R CA -0.159 55.933 56.100 -0.013 0.000 1.088 349 R CB 0.171 30.416 30.300 -0.093 0.000 1.278 349 R HN 0.406 nan 8.270 nan 0.000 0.557 350 K N 1.825 122.267 120.400 0.069 0.000 3.278 350 K HA -0.254 4.068 4.320 0.002 0.000 0.270 350 K C -0.586 176.075 176.600 0.101 0.000 0.955 350 K CA 1.037 57.384 56.287 0.100 0.000 0.723 350 K CB -1.205 31.332 32.500 0.061 0.000 1.382 350 K HN 0.492 nan 8.250 nan 0.000 0.461 351 R N -0.835 119.724 120.500 0.098 0.000 2.710 351 R HA 0.663 5.004 4.340 0.002 0.000 0.270 351 R C -1.102 175.256 176.300 0.096 0.000 1.021 351 R CA -1.133 55.039 56.100 0.120 0.000 0.889 351 R CB 1.323 31.678 30.300 0.092 0.000 1.243 351 R HN 0.060 nan 8.270 nan 0.000 0.464 352 I N 1.131 121.757 120.570 0.094 0.000 2.436 352 I HA 0.466 4.637 4.170 0.002 0.000 0.289 352 I C 0.021 176.032 176.117 -0.177 0.000 1.010 352 I CA -0.907 60.276 61.300 -0.195 0.000 1.098 352 I CB 2.297 40.113 38.000 -0.306 0.000 1.266 352 I HN 0.877 nan 8.210 nan 0.000 0.434 353 G N 5.179 113.638 108.800 -0.569 0.000 2.400 353 G HA2 0.737 4.698 3.960 0.002 0.000 0.333 353 G HA3 0.737 4.698 3.960 0.002 0.000 0.333 353 G C -1.357 173.002 174.900 -0.901 0.000 1.143 353 G CA -0.245 44.260 45.100 -0.992 0.000 0.914 353 G HN 0.326 nan 8.290 nan 0.000 0.480 354 F N 0.293 119.878 119.950 -0.609 0.000 2.540 354 F HA 0.745 5.273 4.527 0.002 0.000 0.317 354 F C 0.389 176.015 175.800 -0.290 0.000 1.104 354 F CA -0.538 57.231 58.000 -0.385 0.000 0.913 354 F CB 2.785 41.619 39.000 -0.276 0.000 1.170 354 F HN 0.724 nan 8.300 nan 0.000 0.450 355 A N 1.521 124.378 122.820 0.062 0.000 2.572 355 A HA 0.736 5.058 4.320 0.002 0.000 0.295 355 A C -1.478 176.330 177.584 0.373 0.000 1.072 355 A CA -0.824 51.301 52.037 0.147 0.000 0.691 355 A CB 1.136 20.081 19.000 -0.093 0.000 1.291 355 A HN 0.458 nan 8.150 nan 0.000 0.404 356 V N 1.737 121.867 119.914 0.360 0.000 2.599 356 V HA 0.276 4.397 4.120 0.002 0.000 0.300 356 V C 1.211 177.462 176.094 0.262 0.000 1.034 356 V CA 0.544 63.013 62.300 0.282 0.000 1.115 356 V CB 1.171 33.099 31.823 0.175 0.000 0.934 356 V HN 0.964 nan 8.190 nan 0.000 0.485 357 S N 3.951 119.752 115.700 0.168 0.000 2.601 357 S HA 0.455 4.926 4.470 0.002 0.000 0.271 357 S C 1.282 175.922 174.600 0.067 0.000 1.305 357 S CA -0.080 58.195 58.200 0.125 0.000 1.022 357 S CB 1.475 64.707 63.200 0.052 0.000 0.940 357 S HN 0.970 nan 8.310 nan 0.000 0.525 358 A N 1.952 124.758 122.820 -0.023 0.000 2.119 358 A HA 0.013 4.335 4.320 0.002 0.000 0.217 358 A C 1.661 179.111 177.584 -0.223 0.000 1.153 358 A CA 1.096 53.073 52.037 -0.101 0.000 0.692 358 A CB -1.096 17.845 19.000 -0.100 0.000 0.799 358 A HN 1.236 nan 8.150 nan 0.000 0.458 359 c N 0.034 118.516 118.600 -0.197 0.000 2.422 359 c HA 0.595 5.167 4.570 0.002 0.000 0.301 359 c C 0.539 174.455 174.090 -0.290 0.000 1.444 359 c CA -0.830 55.358 56.329 -0.236 0.000 1.771 359 c CB -2.577 39.857 42.510 -0.126 0.000 2.834 359 c HN 0.618 nan 8.230 nan 0.000 0.545 360 H N -0.165 118.776 119.070 -0.216 0.000 2.603 360 H HA 0.545 5.102 4.556 0.002 0.000 0.370 360 H C 0.321 175.343 175.328 -0.510 0.000 1.225 360 H CA -0.322 55.536 56.048 -0.318 0.000 1.410 360 H CB 0.019 29.610 29.762 -0.284 0.000 1.495 360 H HN 0.401 nan 8.280 nan 0.000 0.602 361 V N -0.468 119.314 119.914 -0.219 0.000 2.811 361 V HA 0.152 4.273 4.120 0.002 0.000 0.302 361 V C -0.109 175.805 176.094 -0.299 0.000 1.063 361 V CA -0.601 61.494 62.300 -0.341 0.000 1.088 361 V CB 0.447 32.101 31.823 -0.282 0.000 0.982 361 V HN 0.814 nan 8.190 nan 0.000 0.485 362 H N 3.096 122.134 119.070 -0.053 0.000 2.623 362 H HA 0.496 5.053 4.556 0.002 0.000 0.299 362 H C -0.687 174.545 175.328 -0.160 0.000 1.052 362 H CA -0.394 55.622 56.048 -0.054 0.000 1.231 362 H CB 1.117 30.858 29.762 -0.034 0.000 1.389 362 H HN 0.903 nan 8.280 nan 0.000 0.469 363 D N 2.356 122.718 120.400 -0.063 0.000 2.278 363 D HA 0.020 4.662 4.640 0.002 0.000 0.245 363 D C 0.993 177.249 176.300 -0.074 0.000 1.052 363 D CA -0.401 53.523 54.000 -0.126 0.000 0.834 363 D CB 1.985 42.697 40.800 -0.146 0.000 1.194 363 D HN 0.616 nan 8.370 nan 0.000 0.481 364 E N 2.448 122.596 120.200 -0.086 0.000 2.118 364 E HA -0.191 4.160 4.350 0.002 0.000 0.195 364 E C 0.638 176.962 176.600 -0.459 0.000 0.992 364 E CA 1.477 57.712 56.400 -0.275 0.000 0.804 364 E CB 0.160 29.658 29.700 -0.336 0.000 0.741 364 E HN 0.525 nan 8.360 nan 0.000 0.458 365 F N -0.890 119.058 119.950 -0.004 0.000 2.712 365 F HA 0.319 4.846 4.527 0.001 0.000 0.297 365 F C 0.866 176.661 175.800 -0.008 0.000 1.114 365 F CA -0.248 57.753 58.000 0.001 0.000 1.305 365 F CB 0.640 39.648 39.000 0.014 0.000 1.086 365 F HN -0.318 nan 8.300 nan 0.000 0.599 366 R N -0.237 120.343 120.500 0.134 0.000 2.832 366 R HA 0.650 4.991 4.340 0.002 0.000 0.271 366 R C -0.620 175.667 176.300 -0.021 0.000 0.996 366 R CA -0.617 55.519 56.100 0.059 0.000 0.977 366 R CB 1.879 32.217 30.300 0.062 0.000 1.168 366 R HN -0.016 nan 8.270 nan 0.000 0.482 367 T N -1.733 112.793 114.554 -0.046 0.000 2.971 367 T HA 0.625 4.976 4.350 0.002 0.000 0.304 367 T C -0.209 174.418 174.700 -0.123 0.000 1.038 367 T CA -0.932 61.093 62.100 -0.124 0.000 1.007 367 T CB 1.734 70.515 68.868 -0.145 0.000 1.055 367 T HN 0.676 nan 8.240 nan 0.000 0.451 368 A N 2.249 124.956 122.820 -0.188 0.000 2.507 368 A HA 0.723 5.044 4.320 0.002 0.000 0.235 368 A C 0.683 178.227 177.584 -0.067 0.000 1.070 368 A CA 0.086 52.044 52.037 -0.131 0.000 0.768 368 A CB -0.529 18.294 19.000 -0.295 0.000 1.011 368 A HN 1.980 nan 8.150 nan 0.000 0.502 369 A N 0.493 123.377 122.820 0.106 0.000 2.599 369 A HA 0.646 4.967 4.320 0.002 0.000 0.290 369 A C -1.291 176.419 177.584 0.211 0.000 1.101 369 A CA -0.381 51.738 52.037 0.137 0.000 0.674 369 A CB 1.124 20.148 19.000 0.041 0.000 1.277 369 A HN 1.441 nan 8.150 nan 0.000 0.419 370 V N 1.584 121.584 119.914 0.143 0.000 2.409 370 V HA 0.488 4.609 4.120 0.002 0.000 0.290 370 V C -0.632 175.400 176.094 -0.104 0.000 1.017 370 V CA -0.257 62.056 62.300 0.022 0.000 0.841 370 V CB 1.011 32.898 31.823 0.107 0.000 1.003 370 V HN 0.874 nan 8.190 nan 0.000 0.426 371 E N 2.768 122.840 120.200 -0.214 0.000 2.266 371 E HA 0.829 5.180 4.350 0.002 0.000 0.268 371 E C -0.003 176.347 176.600 -0.417 0.000 0.879 371 E CA -0.676 55.590 56.400 -0.225 0.000 0.762 371 E CB 2.883 32.590 29.700 0.012 0.000 1.199 371 E HN 0.798 nan 8.360 nan 0.000 0.422 372 G N 1.918 110.305 108.800 -0.689 0.000 2.649 372 G HA2 0.569 4.530 3.960 0.002 0.000 0.290 372 G HA3 0.569 4.530 3.960 0.002 0.000 0.290 372 G C -2.852 171.866 174.900 -0.303 0.000 1.426 372 G CA -0.945 43.609 45.100 -0.911 0.000 0.794 372 G HN 0.370 nan 8.290 nan 0.000 0.483 373 P HA 0.741 nan 4.420 nan 0.000 0.283 373 P C -1.652 175.494 177.300 -0.258 0.000 1.271 373 P CA -0.523 62.556 63.100 -0.036 0.000 0.841 373 P CB 1.734 33.588 31.700 0.256 0.000 1.122 374 F N -0.780 119.191 119.950 0.036 0.000 2.565 374 F HA 0.331 4.859 4.527 0.002 0.000 0.313 374 F C -0.087 175.752 175.800 0.066 0.000 1.091 374 F CA -1.023 57.012 58.000 0.057 0.000 0.915 374 F CB 2.279 41.344 39.000 0.109 0.000 1.208 374 F HN 0.006 nan 8.300 nan 0.000 0.453 375 V N 3.458 123.498 119.914 0.211 0.000 2.383 375 V HA 0.751 4.872 4.120 0.002 0.000 0.275 375 V C -0.356 175.804 176.094 0.109 0.000 1.036 375 V CA 0.258 62.638 62.300 0.132 0.000 0.889 375 V CB 0.975 32.846 31.823 0.079 0.000 0.985 375 V HN 0.936 nan 8.190 nan 0.000 0.459 376 T N 4.350 118.953 114.554 0.082 0.000 2.716 376 T HA 0.605 4.957 4.350 0.002 0.000 0.286 376 T C -0.197 174.519 174.700 0.027 0.000 1.052 376 T CA -0.949 61.169 62.100 0.030 0.000 1.024 376 T CB 1.037 69.910 68.868 0.009 0.000 1.349 376 T HN 0.532 nan 8.240 nan 0.000 0.525 377 L N 1.690 122.919 121.223 0.010 0.000 2.476 377 L HA 0.389 4.730 4.340 0.002 0.000 0.264 377 L C 0.610 177.499 176.870 0.030 0.000 1.224 377 L CA -0.513 54.338 54.840 0.018 0.000 0.821 377 L CB 0.083 42.150 42.059 0.013 0.000 1.101 377 L HN 0.887 nan 8.230 nan 0.000 0.488 378 D N -0.291 120.129 120.400 0.032 0.000 2.539 378 D HA 0.139 4.780 4.640 0.002 0.000 0.276 378 D C 0.829 177.155 176.300 0.042 0.000 1.206 378 D CA -0.663 53.361 54.000 0.040 0.000 1.081 378 D CB 0.584 41.407 40.800 0.037 0.000 1.142 378 D HN 0.522 nan 8.370 nan 0.000 0.595 379 M N -0.792 118.836 119.600 0.046 0.000 2.213 379 M HA -0.147 4.334 4.480 0.002 0.000 0.263 379 M C 1.774 178.100 176.300 0.044 0.000 1.062 379 M CA 1.520 56.850 55.300 0.051 0.000 1.105 379 M CB -0.113 32.518 32.600 0.052 0.000 1.385 379 M HN 0.618 nan 8.290 nan 0.000 0.417 380 E N 0.092 120.311 120.200 0.031 0.000 2.106 380 E HA -0.219 4.132 4.350 0.002 0.000 0.192 380 E C 1.070 177.683 176.600 0.022 0.000 0.984 380 E CA 1.595 58.008 56.400 0.021 0.000 0.806 380 E CB 0.072 29.780 29.700 0.013 0.000 0.750 380 E HN 0.582 nan 8.360 nan 0.000 0.458 381 D N -0.540 119.875 120.400 0.025 0.000 2.249 381 D HA -0.059 4.582 4.640 0.002 0.000 0.205 381 D C 1.562 177.882 176.300 0.034 0.000 0.962 381 D CA 0.627 54.640 54.000 0.021 0.000 0.860 381 D CB 0.125 40.934 40.800 0.016 0.000 0.955 381 D HN 0.295 nan 8.370 nan 0.000 0.505 382 c N 0.438 119.070 118.600 0.053 0.000 3.097 382 c HA 0.350 4.922 4.570 0.002 0.000 0.335 382 c C 1.505 175.663 174.090 0.113 0.000 1.283 382 c CA -0.528 55.848 56.329 0.078 0.000 1.778 382 c CB -0.101 42.461 42.510 0.087 0.000 2.365 382 c HN 0.186 nan 8.230 nan 0.000 0.627 383 G N -0.152 108.710 108.800 0.104 0.000 2.442 383 G HA2 0.361 4.322 3.960 0.002 0.000 0.249 383 G HA3 0.361 4.322 3.960 0.002 0.000 0.249 383 G C -1.012 173.992 174.900 0.173 0.000 1.263 383 G CA 0.264 45.444 45.100 0.134 0.000 0.846 383 G HN 0.383 nan 8.290 nan 0.000 0.555 384 Y N 2.446 122.800 120.300 0.091 0.000 2.310 384 Y HA 0.431 4.982 4.550 0.002 0.000 0.326 384 Y C 0.279 176.228 175.900 0.081 0.000 1.151 384 Y CA -0.770 57.393 58.100 0.104 0.000 1.195 384 Y CB 1.008 39.563 38.460 0.159 0.000 1.210 384 Y HN 0.515 nan 8.280 nan 0.000 0.483 385 N N 0.000 118.315 118.700 -0.641 0.000 1.763 385 N HA 0.000 4.741 4.740 0.002 0.000 0.220 385 N CA 0.000 52.779 53.050 -0.452 0.000 0.885 385 N CB 0.000 38.350 38.487 -0.228 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667