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 1cy0_1_A DATA FIRST_RESID 2 DATA SEQUENCE GKALVIVESP AKAKTINKYL GSDYVVKSSV GHIRDLPXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXALVNRM GVDPWHNWEA HYEVLPGKEK VVSELKQLAE DATA SEQUENCE KADHIYLATD LDREGEAIAW HLREVIGGDD ARYSRVVFNE ITKNAIRQAF DATA SEQUENCE NKPGELNIDR VNAQQARRFM DRVVGYMVSP LLWKKIARGL SAGRVQSVAV DATA SEQUENCE RLVVEREREI KAFVPEEFWE VDASTTTPSG EALALQVTHQ NDKPFRPVNK DATA SEQUENCE EQTQAAVSLL EKARYSVLER EDKPTTSKPG APFITSTLQQ AASTRLGFGV DATA SEQUENCE KKTMMMAQRL YEAGYITYMR TDSTNLSQDA VNMVRGYISD NFGKKYLPES DATA SEQUENCE PNQYASKENS QEAHEAIRPS DVNVMAESLK DMEADAQKLY QLIWRQFVAC DATA SEQUENCE QMTPAKYDST TLTVGAGDFR LKARGRILRF DGWTKVMXXX XXXXXXXILP DATA SEQUENCE AVNKGDALTL VELTPAQHFT KPPARFSEAS LVKELEKRGI GRPSTYASII DATA SEQUENCE STIQDRGYVR VENRRFYAEK MGEIVTDRLE ENFRELMNYD FTAQMENSLD DATA SEQUENCE QVANHEAEWK AVLDHFFSDF T 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 2 G C 0.000 174.891 174.900 -0.015 0.000 0.946 2 G CA 0.000 45.095 45.100 -0.009 0.000 0.502 3 K N 0.495 120.887 120.400 -0.014 0.000 3.215 3 K HA 0.750 5.071 4.320 0.001 0.000 0.171 3 K C 0.654 177.244 176.600 -0.018 0.000 1.127 3 K CA 0.311 56.578 56.287 -0.032 0.000 1.421 3 K CB 0.313 32.782 32.500 -0.052 0.000 1.962 3 K HN 0.225 nan 8.250 nan 0.000 0.478 4 A N 1.178 123.995 122.820 -0.005 0.000 2.342 4 A HA 0.531 4.851 4.320 0.001 0.000 0.323 4 A C -1.382 176.322 177.584 0.200 0.000 1.125 4 A CA -0.583 51.513 52.037 0.098 0.000 0.785 4 A CB 0.879 19.963 19.000 0.139 0.000 1.221 4 A HN 0.340 nan 8.150 nan 0.000 0.463 5 L N 3.338 124.664 121.223 0.172 0.000 2.282 5 L HA 0.670 5.010 4.340 0.001 0.000 0.288 5 L C -0.929 176.122 176.870 0.303 0.000 1.033 5 L CA -0.126 54.822 54.840 0.181 0.000 0.807 5 L CB 1.573 43.675 42.059 0.070 0.000 1.209 5 L HN 0.390 nan 8.230 nan 0.000 0.423 6 V N 6.967 127.079 119.914 0.330 0.000 2.409 6 V HA 0.462 4.583 4.120 0.001 0.000 0.291 6 V C 0.025 176.266 176.094 0.244 0.000 1.020 6 V CA -0.428 62.106 62.300 0.391 0.000 0.848 6 V CB 1.486 33.549 31.823 0.401 0.000 0.990 6 V HN 0.602 nan 8.190 nan 0.000 0.430 7 I N 6.160 126.863 120.570 0.223 0.000 2.354 7 I HA 0.631 4.801 4.170 0.001 0.000 0.292 7 I C -0.062 176.148 176.117 0.155 0.000 0.989 7 I CA -0.681 60.711 61.300 0.153 0.000 1.188 7 I CB 1.771 39.841 38.000 0.117 0.000 1.342 7 I HN 0.524 nan 8.210 nan 0.000 0.457 8 V N 2.994 122.987 119.914 0.132 0.000 3.126 8 V HA 0.528 4.648 4.120 0.001 0.000 0.314 8 V C 0.613 176.768 176.094 0.102 0.000 1.138 8 V CA -0.603 61.781 62.300 0.139 0.000 1.034 8 V CB 1.947 33.860 31.823 0.151 0.000 1.075 8 V HN 0.827 nan 8.190 nan 0.000 0.442 9 E N 0.915 121.179 120.200 0.107 0.000 2.479 9 E HA 0.191 4.542 4.350 0.001 0.000 0.193 9 E C 0.501 177.152 176.600 0.086 0.000 1.049 9 E CA 0.783 57.237 56.400 0.089 0.000 0.870 9 E CB 0.428 30.183 29.700 0.092 0.000 0.944 9 E HN 0.993 nan 8.360 nan 0.000 0.492 10 S N -0.584 115.166 115.700 0.083 0.000 2.550 10 S HA 0.403 4.873 4.470 0.001 0.000 0.270 10 S C -2.634 171.992 174.600 0.044 0.000 1.145 10 S CA -1.255 56.984 58.200 0.065 0.000 0.852 10 S CB 2.320 65.566 63.200 0.076 0.000 1.119 10 S HN -0.318 nan 8.310 nan 0.000 0.465 11 P HA 0.012 nan 4.420 nan 0.000 0.215 11 P C 1.651 178.950 177.300 -0.002 0.000 1.153 11 P CA 2.076 65.183 63.100 0.013 0.000 0.853 11 P CB -0.142 31.565 31.700 0.010 0.000 0.788 12 A N 0.003 122.824 122.820 0.002 0.000 1.908 12 A HA -0.243 4.078 4.320 0.001 0.000 0.218 12 A C 2.286 179.845 177.584 -0.042 0.000 1.181 12 A CA 1.948 53.974 52.037 -0.018 0.000 0.627 12 A CB -1.216 17.782 19.000 -0.003 0.000 0.818 12 A HN 0.132 nan 8.150 nan 0.000 0.445 13 K N -0.519 119.871 120.400 -0.016 0.000 2.155 13 K HA 0.019 4.340 4.320 0.001 0.000 0.203 13 K C 2.090 178.669 176.600 -0.035 0.000 1.052 13 K CA 0.972 57.241 56.287 -0.030 0.000 0.948 13 K CB -0.263 32.266 32.500 0.049 0.000 0.728 13 K HN 0.377 nan 8.250 nan 0.000 0.448 14 A N 1.487 124.298 122.820 -0.015 0.000 1.898 14 A HA -0.165 4.156 4.320 0.001 0.000 0.216 14 A C 2.007 179.549 177.584 -0.069 0.000 1.181 14 A CA 1.484 53.507 52.037 -0.023 0.000 0.620 14 A CB -0.385 18.615 19.000 -0.000 0.000 0.819 14 A HN 0.286 nan 8.150 nan 0.000 0.442 15 K N -0.844 119.510 120.400 -0.076 0.000 2.148 15 K HA -0.106 4.215 4.320 0.001 0.000 0.204 15 K C 1.792 178.293 176.600 -0.164 0.000 1.050 15 K CA 1.708 57.932 56.287 -0.106 0.000 0.942 15 K CB -0.142 32.306 32.500 -0.087 0.000 0.724 15 K HN 0.497 nan 8.250 nan 0.000 0.446 16 T N 1.320 115.773 114.554 -0.168 0.000 2.852 16 T HA -0.022 4.328 4.350 0.001 0.000 0.256 16 T C 1.762 176.309 174.700 -0.255 0.000 1.038 16 T CA 0.774 62.743 62.100 -0.217 0.000 1.141 16 T CB -0.052 68.706 68.868 -0.184 0.000 0.869 16 T HN 0.201 nan 8.240 nan 0.000 0.439 17 I N 1.769 122.227 120.570 -0.186 0.000 2.361 17 I HA -0.184 3.987 4.170 0.001 0.000 0.251 17 I C 2.269 178.230 176.117 -0.259 0.000 1.133 17 I CA 1.129 62.321 61.300 -0.180 0.000 1.413 17 I CB -0.116 37.781 38.000 -0.172 0.000 1.073 17 I HN 0.168 nan 8.210 nan 0.000 0.424 18 N N 1.254 119.806 118.700 -0.245 0.000 2.364 18 N HA -0.216 4.525 4.740 0.001 0.000 0.183 18 N C 1.623 176.939 175.510 -0.323 0.000 1.022 18 N CA 1.300 54.207 53.050 -0.238 0.000 0.883 18 N CB -0.038 38.353 38.487 -0.159 0.000 0.965 18 N HN 0.288 nan 8.380 nan 0.000 0.438 19 K N -1.168 118.922 120.400 -0.517 0.000 2.288 19 K HA -0.079 4.241 4.320 0.001 0.000 0.201 19 K C 0.265 176.406 176.600 -0.766 0.000 1.048 19 K CA 0.875 56.739 56.287 -0.706 0.000 0.956 19 K CB 0.059 31.947 32.500 -1.020 0.000 0.746 19 K HN 0.378 nan 8.250 nan 0.000 0.461 20 Y N -0.031 120.141 120.300 -0.213 0.000 2.584 20 Y HA 0.306 4.856 4.550 0.001 0.000 0.254 20 Y C -0.035 175.669 175.900 -0.327 0.000 1.177 20 Y CA -0.420 57.539 58.100 -0.235 0.000 1.216 20 Y CB 0.344 38.654 38.460 -0.249 0.000 1.172 20 Y HN -0.182 nan 8.280 nan 0.000 0.529 21 L N 0.082 121.139 121.223 -0.276 0.000 2.333 21 L HA 0.666 5.007 4.340 0.001 0.000 0.280 21 L C 0.905 177.719 176.870 -0.094 0.000 1.004 21 L CA -0.968 53.633 54.840 -0.398 0.000 0.820 21 L CB 1.695 43.362 42.059 -0.653 0.000 1.247 21 L HN 0.213 nan 8.230 nan 0.000 0.416 22 G N 0.573 109.436 108.800 0.104 0.000 2.631 22 G HA2 0.128 4.088 3.960 0.001 0.000 0.271 22 G HA3 0.128 4.088 3.960 0.001 0.000 0.271 22 G C 1.094 176.078 174.900 0.141 0.000 1.302 22 G CA 0.253 45.432 45.100 0.131 0.000 1.002 22 G HN 0.759 nan 8.290 nan 0.000 0.519 23 S N -0.113 115.620 115.700 0.056 0.000 2.387 23 S HA -0.210 4.261 4.470 0.001 0.000 0.230 23 S C 1.478 176.078 174.600 0.001 0.000 1.035 23 S CA 1.876 60.089 58.200 0.022 0.000 1.014 23 S CB -0.361 62.839 63.200 -0.000 0.000 0.836 23 S HN 0.704 nan 8.310 nan 0.000 0.466 24 D N -0.077 120.286 120.400 -0.062 0.000 2.346 24 D HA -0.005 4.635 4.640 0.001 0.000 0.248 24 D C -0.718 175.384 176.300 -0.329 0.000 1.173 24 D CA -0.004 53.878 54.000 -0.196 0.000 0.878 24 D CB -0.590 40.045 40.800 -0.275 0.000 0.919 24 D HN 0.501 nan 8.370 nan 0.000 0.513 25 Y N -0.221 120.080 120.300 0.003 0.000 2.346 25 Y HA 0.345 4.895 4.550 0.001 0.000 0.332 25 Y C -0.322 175.579 175.900 0.002 0.000 0.985 25 Y CA -1.102 57.004 58.100 0.010 0.000 1.112 25 Y CB 2.360 40.770 38.460 -0.084 0.000 1.170 25 Y HN -0.279 nan 8.280 nan 0.000 0.447 26 V N 5.331 125.359 119.914 0.191 0.000 2.328 26 V HA 0.331 4.451 4.120 0.001 0.000 0.278 26 V C -0.398 175.771 176.094 0.125 0.000 1.021 26 V CA -0.831 61.538 62.300 0.114 0.000 0.838 26 V CB 1.115 32.985 31.823 0.079 0.000 0.999 26 V HN 0.517 nan 8.190 nan 0.000 0.447 27 V N 5.534 125.496 119.914 0.080 0.000 2.406 27 V HA 0.486 4.606 4.120 0.001 0.000 0.272 27 V C 0.067 176.196 176.094 0.058 0.000 1.043 27 V CA -0.500 61.843 62.300 0.071 0.000 0.915 27 V CB 1.390 33.223 31.823 0.016 0.000 0.988 27 V HN 0.818 nan 8.190 nan 0.000 0.466 28 K N 3.414 123.859 120.400 0.076 0.000 2.375 28 K HA 0.687 5.008 4.320 0.001 0.000 0.249 28 K C -0.306 176.332 176.600 0.065 0.000 0.942 28 K CA -0.307 56.016 56.287 0.059 0.000 0.806 28 K CB 2.114 34.649 32.500 0.058 0.000 1.227 28 K HN 0.784 nan 8.250 nan 0.000 0.430 29 S N 0.895 116.625 115.700 0.050 0.000 2.537 29 S HA 0.613 5.083 4.470 0.001 0.000 0.301 29 S C -0.847 173.780 174.600 0.046 0.000 1.092 29 S CA -0.668 57.564 58.200 0.054 0.000 1.048 29 S CB 1.334 64.562 63.200 0.047 0.000 1.053 29 S HN 0.595 nan 8.310 nan 0.000 0.501 30 S N 1.601 117.329 115.700 0.047 0.000 2.622 30 S HA 0.396 4.867 4.470 0.001 0.000 0.283 30 S C -0.359 174.267 174.600 0.043 0.000 1.197 30 S CA -0.771 57.451 58.200 0.037 0.000 1.146 30 S CB 0.169 63.385 63.200 0.027 0.000 1.007 30 S HN 0.791 nan 8.310 nan 0.000 0.478 31 V N 4.513 124.452 119.914 0.043 0.000 2.536 31 V HA 0.321 4.442 4.120 0.001 0.000 0.287 31 V C 1.758 177.892 176.094 0.067 0.000 0.979 31 V CA 1.383 63.714 62.300 0.052 0.000 1.161 31 V CB -1.696 30.152 31.823 0.041 0.000 0.915 31 V HN 1.421 nan 8.190 nan 0.000 0.467 32 G N 5.113 113.968 108.800 0.091 0.000 2.574 32 G HA2 -0.289 3.671 3.960 0.001 0.000 0.286 32 G HA3 -0.289 3.671 3.960 0.001 0.000 0.286 32 G C -0.219 174.777 174.900 0.159 0.000 1.212 32 G CA 0.311 45.504 45.100 0.156 0.000 0.979 32 G HN 0.919 nan 8.290 nan 0.000 0.557 33 H N 1.027 120.083 119.070 -0.023 0.000 2.742 33 H HA 0.430 4.986 4.556 0.001 0.000 0.302 33 H C 1.535 176.816 175.328 -0.078 0.000 1.069 33 H CA -0.403 55.604 56.048 -0.068 0.000 1.446 33 H CB 0.782 30.496 29.762 -0.081 0.000 1.462 33 H HN 0.365 nan 8.280 nan 0.000 0.499 34 I N 1.527 122.074 120.570 -0.038 0.000 2.867 34 I HA 0.085 4.255 4.170 0.001 0.000 0.265 34 I C 1.014 177.082 176.117 -0.082 0.000 1.162 34 I CA 0.741 62.014 61.300 -0.045 0.000 1.471 34 I CB -0.210 37.760 38.000 -0.051 0.000 1.123 34 I HN 0.424 nan 8.210 nan 0.000 0.440 35 R N 0.356 120.734 120.500 -0.203 0.000 2.795 35 R HA 0.466 4.806 4.340 0.001 0.000 0.275 35 R C -1.559 174.530 176.300 -0.352 0.000 0.981 35 R CA -0.373 55.586 56.100 -0.236 0.000 0.917 35 R CB 2.403 32.568 30.300 -0.224 0.000 1.202 35 R HN -0.062 nan 8.270 nan 0.000 0.469 36 D N 1.180 121.540 120.400 -0.068 0.000 2.769 36 D HA 0.231 4.871 4.640 0.001 0.000 0.309 36 D C -1.061 175.444 176.300 0.341 0.000 1.315 36 D CA -0.518 53.556 54.000 0.124 0.000 0.780 36 D CB 0.999 41.859 40.800 0.099 0.000 1.312 36 D HN 0.368 nan 8.370 nan 0.000 0.437 37 L N 1.290 122.730 121.223 0.362 0.000 2.473 37 L HA 0.317 4.657 4.340 0.001 0.000 0.268 37 L C -1.483 175.462 176.870 0.125 0.000 1.215 37 L CA -1.150 53.813 54.840 0.206 0.000 0.823 37 L CB 0.056 42.215 42.059 0.167 0.000 1.099 37 L HN 0.360 nan 8.230 nan 0.000 0.483 67 L N 1.186 122.460 121.223 0.085 0.000 2.131 67 L HA 0.064 4.405 4.340 0.001 0.000 0.206 67 L C 2.051 179.015 176.870 0.155 0.000 1.087 67 L CA 2.380 57.316 54.840 0.161 0.000 0.767 67 L CB -0.432 41.743 42.059 0.193 0.000 0.917 67 L HN 0.278 nan 8.230 nan 0.000 0.441 68 V N 0.663 120.648 119.914 0.119 0.000 2.548 68 V HA -0.220 3.900 4.120 0.001 0.000 0.249 68 V C 2.502 178.594 176.094 -0.004 0.000 1.055 68 V CA 1.575 63.917 62.300 0.069 0.000 1.065 68 V CB -0.832 31.031 31.823 0.066 0.000 0.681 68 V HN 0.534 nan 8.190 nan 0.000 0.462 69 N N 0.471 119.173 118.700 0.003 0.000 2.120 69 N HA -0.159 4.581 4.740 0.001 0.000 0.188 69 N C 2.088 177.611 175.510 0.022 0.000 1.024 69 N CA 1.425 54.465 53.050 -0.017 0.000 0.852 69 N CB -0.004 38.477 38.487 -0.011 0.000 1.003 69 N HN 0.438 nan 8.380 nan 0.000 0.424 70 R N 0.035 120.583 120.500 0.079 0.000 2.090 70 R HA 0.056 4.396 4.340 0.001 0.000 0.228 70 R C 2.364 178.657 176.300 -0.013 0.000 1.110 70 R CA 0.921 57.110 56.100 0.148 0.000 0.973 70 R CB -0.131 30.360 30.300 0.319 0.000 0.869 70 R HN 0.329 nan 8.270 nan 0.000 0.440 71 M N -0.821 118.682 119.600 -0.161 0.000 2.229 71 M HA 0.027 4.507 4.480 0.001 0.000 0.264 71 M C 1.278 177.407 176.300 -0.285 0.000 1.063 71 M CA 1.451 56.471 55.300 -0.467 0.000 1.114 71 M CB 0.053 32.479 32.600 -0.290 0.000 1.387 71 M HN 0.475 nan 8.290 nan 0.000 0.420 72 G N 1.017 109.728 108.800 -0.149 0.000 2.143 72 G HA2 -0.194 3.767 3.960 0.001 0.000 0.248 72 G HA3 -0.194 3.767 3.960 0.001 0.000 0.248 72 G C -0.189 174.576 174.900 -0.226 0.000 0.991 72 G CA 0.153 45.193 45.100 -0.099 0.000 0.689 72 G HN 0.408 nan 8.290 nan 0.000 0.522 73 V N -0.138 119.610 119.914 -0.276 0.000 2.851 73 V HA 0.624 4.744 4.120 0.001 0.000 0.307 73 V C -1.720 174.186 176.094 -0.314 0.000 1.129 73 V CA -0.697 61.352 62.300 -0.418 0.000 0.932 73 V CB 2.204 33.610 31.823 -0.694 0.000 1.024 73 V HN 0.221 nan 8.190 nan 0.000 0.426 74 D N 6.677 126.872 120.400 -0.341 0.000 2.472 74 D HA 0.487 5.127 4.640 0.001 0.000 0.234 74 D C -2.020 173.781 176.300 -0.832 0.000 1.088 74 D CA -1.968 51.823 54.000 -0.348 0.000 0.882 74 D CB 2.421 43.139 40.800 -0.137 0.000 1.037 74 D HN 0.236 nan 8.370 nan 0.000 0.520 75 P HA -0.012 nan 4.420 nan 0.000 0.225 75 P C 0.901 177.141 177.300 -1.766 0.000 1.148 75 P CA 0.676 62.265 63.100 -2.519 0.000 0.779 75 P CB 0.172 30.089 31.700 -2.971 0.000 0.780 76 W N -2.112 118.773 121.300 -0.691 0.000 3.278 76 W HA 0.160 4.820 4.660 0.000 0.000 0.308 76 W C 0.156 176.349 176.519 -0.544 0.000 1.253 76 W CA 0.390 57.459 57.345 -0.459 0.000 1.759 76 W CB -0.405 28.903 29.460 -0.253 0.000 1.093 76 W HN 0.208 nan 8.180 nan 0.000 0.648 77 H N 0.126 119.035 119.070 -0.268 0.000 2.624 77 H HA 0.137 4.693 4.556 0.001 0.000 0.233 77 H C 0.144 175.332 175.328 -0.233 0.000 1.376 77 H CA -0.333 55.610 56.048 -0.176 0.000 1.137 77 H CB -0.573 29.129 29.762 -0.101 0.000 1.867 77 H HN -0.045 nan 8.280 nan 0.000 0.547 78 N N 1.285 119.823 118.700 -0.270 0.000 2.714 78 N HA -0.233 4.507 4.740 0.001 0.000 0.252 78 N C -0.890 174.554 175.510 -0.110 0.000 1.014 78 N CA 0.431 53.374 53.050 -0.178 0.000 0.735 78 N CB -0.436 38.029 38.487 -0.036 0.000 0.924 78 N HN 0.703 nan 8.380 nan 0.000 0.540 79 W N -1.322 119.870 121.300 -0.181 0.000 5.963 79 W HA -0.229 4.431 4.660 0.000 0.000 0.400 79 W C 0.561 177.023 176.519 -0.095 0.000 1.530 79 W CA 0.750 57.981 57.345 -0.190 0.000 1.004 79 W CB -1.866 27.470 29.460 -0.206 0.000 2.706 79 W HN 0.393 nan 8.180 nan 0.000 1.495 80 E N 1.567 121.751 120.200 -0.027 0.000 2.366 80 E HA 0.496 4.847 4.350 0.001 0.000 0.266 80 E C 0.379 176.955 176.600 -0.040 0.000 1.015 80 E CA 0.653 57.069 56.400 0.027 0.000 0.906 80 E CB 0.585 30.280 29.700 -0.008 0.000 0.979 80 E HN 0.257 nan 8.360 nan 0.000 0.443 81 A N 4.572 127.412 122.820 0.034 0.000 2.337 81 A HA 0.520 4.841 4.320 0.001 0.000 0.331 81 A C -1.336 176.199 177.584 -0.082 0.000 1.137 81 A CA -0.714 51.241 52.037 -0.136 0.000 0.807 81 A CB 0.985 19.922 19.000 -0.106 0.000 1.250 81 A HN 0.822 nan 8.150 nan 0.000 0.468 82 H N 0.952 119.851 119.070 -0.285 0.000 2.786 82 H HA 0.584 5.140 4.556 0.001 0.000 0.284 82 H C -1.802 173.438 175.328 -0.147 0.000 1.104 82 H CA -0.370 55.591 56.048 -0.144 0.000 1.339 82 H CB -0.205 29.504 29.762 -0.089 0.000 1.427 82 H HN 0.520 nan 8.280 nan 0.000 0.497 83 Y N 2.146 122.388 120.300 -0.096 0.000 2.354 83 Y HA 0.343 4.893 4.550 0.001 0.000 0.322 83 Y C 0.352 176.092 175.900 -0.265 0.000 1.253 83 Y CA -0.555 57.498 58.100 -0.077 0.000 1.272 83 Y CB 1.192 39.716 38.460 0.106 0.000 1.255 83 Y HN 0.660 nan 8.280 nan 0.000 0.500 84 E N -0.840 119.375 120.200 0.026 0.000 2.354 84 E HA 0.506 4.856 4.350 0.001 0.000 0.283 84 E C -1.485 175.116 176.600 0.002 0.000 0.938 84 E CA -1.310 55.062 56.400 -0.047 0.000 0.777 84 E CB 1.444 31.082 29.700 -0.104 0.000 1.222 84 E HN 0.430 nan 8.360 nan 0.000 0.423 85 V N 1.140 121.049 119.914 -0.009 0.000 2.720 85 V HA 0.024 4.145 4.120 0.001 0.000 0.307 85 V C 0.615 176.711 176.094 0.004 0.000 1.071 85 V CA -0.465 61.828 62.300 -0.012 0.000 1.199 85 V CB -0.138 31.679 31.823 -0.011 0.000 0.900 85 V HN 0.630 nan 8.190 nan 0.000 0.494 86 L N 6.011 127.236 121.223 0.003 0.000 2.516 86 L HA 0.188 4.529 4.340 0.001 0.000 0.288 86 L C -1.541 175.341 176.870 0.019 0.000 1.246 86 L CA -0.577 54.274 54.840 0.017 0.000 0.844 86 L CB -0.259 41.811 42.059 0.019 0.000 1.106 86 L HN 0.680 nan 8.230 nan 0.000 0.509 87 P HA 0.044 nan 4.420 nan 0.000 0.261 87 P C 0.762 178.074 177.300 0.019 0.000 1.203 87 P CA 0.880 63.994 63.100 0.024 0.000 0.767 87 P CB 0.606 32.323 31.700 0.028 0.000 0.785 88 G N 4.327 113.137 108.800 0.017 0.000 2.284 88 G HA2 -0.303 3.657 3.960 0.001 0.000 0.247 88 G HA3 -0.303 3.657 3.960 0.001 0.000 0.247 88 G C 0.915 175.822 174.900 0.013 0.000 1.012 88 G CA 0.038 45.147 45.100 0.015 0.000 0.618 88 G HN 0.541 nan 8.290 nan 0.000 0.521 89 K N 0.668 121.076 120.400 0.012 0.000 2.611 89 K HA 0.104 4.424 4.320 0.001 0.000 0.193 89 K C 1.521 178.125 176.600 0.007 0.000 1.026 89 K CA 0.364 56.658 56.287 0.010 0.000 1.063 89 K CB 0.028 32.534 32.500 0.010 0.000 0.839 89 K HN 0.342 nan 8.250 nan 0.000 0.505 90 E N 1.425 121.630 120.200 0.008 0.000 2.265 90 E HA -0.195 4.155 4.350 0.001 0.000 0.196 90 E C 1.649 178.253 176.600 0.006 0.000 0.996 90 E CA 1.152 57.556 56.400 0.007 0.000 0.832 90 E CB 0.145 29.850 29.700 0.009 0.000 0.756 90 E HN 0.531 nan 8.360 nan 0.000 0.491 91 K N 0.112 120.516 120.400 0.008 0.000 2.021 91 K HA 0.014 4.334 4.320 0.001 0.000 0.205 91 K C 2.193 178.798 176.600 0.008 0.000 1.047 91 K CA 0.865 57.157 56.287 0.008 0.000 0.943 91 K CB -0.616 31.889 32.500 0.008 0.000 0.725 91 K HN -0.152 nan 8.250 nan 0.000 0.439 92 V N 2.336 122.255 119.914 0.009 0.000 2.278 92 V HA -0.276 3.845 4.120 0.001 0.000 0.251 92 V C 2.535 178.634 176.094 0.008 0.000 1.062 92 V CA 1.838 64.144 62.300 0.010 0.000 1.038 92 V CB -0.455 31.375 31.823 0.011 0.000 0.646 92 V HN 0.200 nan 8.190 nan 0.000 0.447 93 V N -0.302 119.614 119.914 0.003 0.000 2.332 93 V HA -0.277 3.843 4.120 0.001 0.000 0.248 93 V C 2.529 178.625 176.094 0.003 0.000 1.055 93 V CA 2.468 64.767 62.300 -0.001 0.000 1.038 93 V CB -0.720 31.099 31.823 -0.007 0.000 0.651 93 V HN 0.565 nan 8.190 nan 0.000 0.450 94 S N -0.631 115.072 115.700 0.004 0.000 2.371 94 S HA -0.198 4.272 4.470 0.001 0.000 0.224 94 S C 2.024 176.628 174.600 0.007 0.000 1.029 94 S CA 1.461 59.664 58.200 0.005 0.000 0.978 94 S CB -0.283 62.921 63.200 0.005 0.000 0.833 94 S HN 0.697 nan 8.310 nan 0.000 0.466 95 E N 1.490 121.695 120.200 0.008 0.000 2.160 95 E HA -0.110 4.241 4.350 0.001 0.000 0.195 95 E C 1.750 178.358 176.600 0.013 0.000 0.991 95 E CA 1.045 57.451 56.400 0.010 0.000 0.810 95 E CB -0.336 29.371 29.700 0.012 0.000 0.742 95 E HN 0.465 nan 8.360 nan 0.000 0.466 96 L N -0.201 121.031 121.223 0.014 0.000 2.095 96 L HA -0.097 4.243 4.340 0.001 0.000 0.204 96 L C 2.453 179.333 176.870 0.016 0.000 1.080 96 L CA 0.825 55.677 54.840 0.019 0.000 0.759 96 L CB -0.384 41.689 42.059 0.022 0.000 0.914 96 L HN 0.037 nan 8.230 nan 0.000 0.439 97 K N 0.704 121.111 120.400 0.012 0.000 1.991 97 K HA -0.239 4.082 4.320 0.001 0.000 0.212 97 K C 2.013 178.615 176.600 0.003 0.000 1.049 97 K CA 1.956 58.248 56.287 0.008 0.000 0.932 97 K CB -0.587 31.916 32.500 0.006 0.000 0.717 97 K HN 0.420 nan 8.250 nan 0.000 0.441 98 Q N 0.528 120.330 119.800 0.003 0.000 2.488 98 Q HA 0.003 4.343 4.340 0.001 0.000 0.211 98 Q C 1.754 177.754 176.000 -0.001 0.000 0.967 98 Q CA 1.029 56.832 55.803 -0.000 0.000 0.926 98 Q CB -0.162 28.577 28.738 0.001 0.000 0.992 98 Q HN 0.280 nan 8.270 nan 0.000 0.506 99 L N -1.006 120.218 121.223 0.002 0.000 2.357 99 L HA 0.327 4.668 4.340 0.001 0.000 0.211 99 L C 2.059 178.926 176.870 -0.004 0.000 1.075 99 L CA 0.796 55.638 54.840 0.004 0.000 0.830 99 L CB -0.187 41.881 42.059 0.014 0.000 0.996 99 L HN 0.361 nan 8.230 nan 0.000 0.467 100 A N 0.790 123.605 122.820 -0.009 0.000 1.872 100 A HA -0.215 4.106 4.320 0.001 0.000 0.214 100 A C 1.995 179.545 177.584 -0.057 0.000 1.187 100 A CA 1.555 53.571 52.037 -0.035 0.000 0.614 100 A CB -0.509 18.477 19.000 -0.025 0.000 0.826 100 A HN 0.634 nan 8.150 nan 0.000 0.442 101 E N 0.433 120.609 120.200 -0.039 0.000 2.110 101 E HA -0.262 4.088 4.350 0.001 0.000 0.193 101 E C 1.838 178.416 176.600 -0.036 0.000 0.988 101 E CA 1.430 57.806 56.400 -0.041 0.000 0.804 101 E CB -0.483 29.202 29.700 -0.025 0.000 0.745 101 E HN 0.693 nan 8.360 nan 0.000 0.458 102 K N 1.616 122.001 120.400 -0.025 0.000 2.515 102 K HA 0.038 4.358 4.320 0.001 0.000 0.196 102 K C 0.188 176.775 176.600 -0.023 0.000 1.038 102 K CA 0.517 56.792 56.287 -0.019 0.000 0.967 102 K CB 0.091 32.585 32.500 -0.010 0.000 0.780 102 K HN 0.166 nan 8.250 nan 0.000 0.483 103 A N 1.039 123.838 122.820 -0.035 0.000 2.306 103 A HA 0.243 4.564 4.320 0.001 0.000 0.330 103 A C -0.176 177.377 177.584 -0.052 0.000 1.146 103 A CA -0.825 51.189 52.037 -0.038 0.000 0.827 103 A CB 0.911 19.885 19.000 -0.043 0.000 1.178 103 A HN 0.214 nan 8.150 nan 0.000 0.490 104 D N -0.223 120.157 120.400 -0.033 0.000 2.087 104 D HA 0.022 4.662 4.640 0.001 0.000 0.201 104 D C 0.257 176.549 176.300 -0.014 0.000 0.980 104 D CA 1.939 55.925 54.000 -0.024 0.000 0.849 104 D CB -0.168 40.625 40.800 -0.012 0.000 1.001 104 D HN 0.691 nan 8.370 nan 0.000 0.452 105 H N -1.139 117.830 119.070 -0.169 0.000 2.768 105 H HA 0.516 5.073 4.556 0.001 0.000 0.371 105 H C -1.038 174.074 175.328 -0.361 0.000 1.151 105 H CA -0.678 55.190 56.048 -0.300 0.000 1.165 105 H CB 1.174 30.728 29.762 -0.346 0.000 1.722 105 H HN -0.177 nan 8.280 nan 0.000 0.543 106 I N 5.059 125.086 120.570 -0.905 0.000 2.339 106 I HA 0.170 4.340 4.170 0.001 0.000 0.290 106 I C -0.807 174.962 176.117 -0.579 0.000 0.994 106 I CA -0.591 60.361 61.300 -0.580 0.000 1.191 106 I CB 0.804 38.482 38.000 -0.536 0.000 1.343 106 I HN 0.538 nan 8.210 nan 0.000 0.458 107 Y N 6.360 126.676 120.300 0.026 0.000 2.335 107 Y HA 0.411 4.962 4.550 0.001 0.000 0.339 107 Y C -0.005 175.951 175.900 0.093 0.000 0.987 107 Y CA -0.730 57.417 58.100 0.079 0.000 1.140 107 Y CB 1.307 39.920 38.460 0.256 0.000 1.173 107 Y HN 0.349 nan 8.280 nan 0.000 0.486 108 L N 4.404 125.737 121.223 0.184 0.000 2.282 108 L HA 0.405 4.745 4.340 0.001 0.000 0.287 108 L C 0.505 177.426 176.870 0.084 0.000 1.075 108 L CA -0.390 54.517 54.840 0.113 0.000 0.839 108 L CB 0.698 42.781 42.059 0.039 0.000 1.219 108 L HN 0.773 nan 8.230 nan 0.000 0.434 109 A N 2.083 124.995 122.820 0.153 0.000 3.003 109 A HA 0.305 4.625 4.320 0.001 0.000 0.301 109 A C 0.833 178.498 177.584 0.135 0.000 1.280 109 A CA -0.457 51.700 52.037 0.200 0.000 0.973 109 A CB -0.429 18.837 19.000 0.443 0.000 1.110 109 A HN 0.645 nan 8.150 nan 0.000 0.590 110 T N -2.081 112.471 114.554 -0.004 0.000 2.788 110 T HA 0.314 4.665 4.350 0.001 0.000 0.287 110 T C -0.134 174.458 174.700 -0.180 0.000 1.007 110 T CA -0.618 61.463 62.100 -0.032 0.000 1.005 110 T CB 0.456 69.293 68.868 -0.052 0.000 1.012 110 T HN 0.291 nan 8.240 nan 0.000 0.530 111 D N 0.935 121.260 120.400 -0.124 0.000 2.515 111 D HA 0.035 4.675 4.640 0.001 0.000 0.232 111 D C 1.543 177.534 176.300 -0.514 0.000 1.157 111 D CA -0.207 53.602 54.000 -0.317 0.000 0.871 111 D CB 0.432 41.142 40.800 -0.150 0.000 1.200 111 D HN 0.612 nan 8.370 nan 0.000 0.466 112 L N 0.306 121.052 121.223 -0.795 0.000 2.265 112 L HA -0.030 4.310 4.340 0.001 0.000 0.215 112 L C 0.771 177.372 176.870 -0.448 0.000 1.117 112 L CA 0.980 55.443 54.840 -0.628 0.000 0.782 112 L CB -1.008 40.666 42.059 -0.643 0.000 0.914 112 L HN 0.262 nan 8.230 nan 0.000 0.441 113 D N 0.586 120.741 120.400 -0.409 0.000 2.398 113 D HA -0.041 4.599 4.640 0.001 0.000 0.247 113 D C 1.571 177.769 176.300 -0.172 0.000 1.227 113 D CA 0.040 53.921 54.000 -0.200 0.000 0.980 113 D CB 0.449 41.233 40.800 -0.027 0.000 1.106 113 D HN 0.398 nan 8.370 nan 0.000 0.493 114 R N -0.106 120.307 120.500 -0.145 0.000 2.127 114 R HA -0.210 4.130 4.340 0.001 0.000 0.238 114 R C 1.680 177.895 176.300 -0.142 0.000 1.134 114 R CA 1.434 57.438 56.100 -0.160 0.000 0.975 114 R CB -0.614 29.587 30.300 -0.165 0.000 0.865 114 R HN 0.669 nan 8.270 nan 0.000 0.447 115 E N 1.336 121.477 120.200 -0.098 0.000 2.077 115 E HA -0.143 4.207 4.350 0.001 0.000 0.193 115 E C 1.969 178.520 176.600 -0.081 0.000 0.989 115 E CA 1.646 58.008 56.400 -0.063 0.000 0.800 115 E CB -0.309 29.389 29.700 -0.003 0.000 0.746 115 E HN 0.543 nan 8.360 nan 0.000 0.452 116 G N 0.457 109.202 108.800 -0.093 0.000 2.484 116 G HA2 -0.245 3.716 3.960 0.001 0.000 0.218 116 G HA3 -0.245 3.716 3.960 0.001 0.000 0.218 116 G C 1.486 176.313 174.900 -0.123 0.000 1.130 116 G CA 0.700 45.736 45.100 -0.107 0.000 0.784 116 G HN 0.273 nan 8.290 nan 0.000 0.543 117 E N 0.813 120.927 120.200 -0.143 0.000 2.072 117 E HA 0.101 4.452 4.350 0.001 0.000 0.190 117 E C 2.700 179.233 176.600 -0.112 0.000 0.982 117 E CA 1.178 57.490 56.400 -0.146 0.000 0.803 117 E CB -0.353 29.236 29.700 -0.184 0.000 0.755 117 E HN 0.266 nan 8.360 nan 0.000 0.453 118 A N 0.298 123.048 122.820 -0.118 0.000 1.969 118 A HA -0.086 4.235 4.320 0.001 0.000 0.218 118 A C 2.228 179.857 177.584 0.074 0.000 1.169 118 A CA 1.062 53.066 52.037 -0.055 0.000 0.635 118 A CB -0.555 18.400 19.000 -0.075 0.000 0.810 118 A HN 0.314 nan 8.150 nan 0.000 0.445 119 I N -0.355 120.195 120.570 -0.032 0.000 2.315 119 I HA -0.254 3.917 4.170 0.001 0.000 0.248 119 I C 2.922 179.021 176.117 -0.031 0.000 1.117 119 I CA 0.959 62.220 61.300 -0.065 0.000 1.404 119 I CB -0.309 37.608 38.000 -0.139 0.000 1.071 119 I HN 0.371 nan 8.210 nan 0.000 0.419 120 A N 0.207 123.003 122.820 -0.040 0.000 1.898 120 A HA -0.260 4.061 4.320 0.001 0.000 0.216 120 A C 2.096 179.630 177.584 -0.083 0.000 1.181 120 A CA 1.319 53.321 52.037 -0.058 0.000 0.620 120 A CB -1.091 17.871 19.000 -0.063 0.000 0.819 120 A HN 0.639 nan 8.150 nan 0.000 0.442 121 W N 0.480 121.622 121.300 -0.264 0.000 2.358 121 W HA -0.207 4.453 4.660 0.001 0.000 0.303 121 W C 2.052 178.355 176.519 -0.359 0.000 1.208 121 W CA 2.125 59.263 57.345 -0.345 0.000 1.274 121 W CB -0.619 28.593 29.460 -0.413 0.000 1.138 121 W HN 0.571 nan 8.180 nan 0.000 0.515 122 H N -0.502 118.366 119.070 -0.337 0.000 2.387 122 H HA -0.136 4.421 4.556 0.001 0.000 0.299 122 H C 2.286 177.358 175.328 -0.427 0.000 1.090 122 H CA 2.313 58.041 56.048 -0.533 0.000 1.332 122 H CB -0.386 29.171 29.762 -0.342 0.000 1.386 122 H HN 0.137 nan 8.280 nan 0.000 0.516 123 L N -0.131 120.983 121.223 -0.182 0.000 2.027 123 L HA -0.169 4.171 4.340 0.001 0.000 0.206 123 L C 2.651 179.362 176.870 -0.266 0.000 1.074 123 L CA 1.250 55.993 54.840 -0.161 0.000 0.745 123 L CB -0.284 41.721 42.059 -0.090 0.000 0.898 123 L HN 0.200 nan 8.230 nan 0.000 0.433 124 R N 0.048 120.270 120.500 -0.462 0.000 2.081 124 R HA -0.159 4.182 4.340 0.001 0.000 0.235 124 R C 2.097 178.079 176.300 -0.531 0.000 1.131 124 R CA 1.290 56.923 56.100 -0.779 0.000 0.960 124 R CB 0.030 29.727 30.300 -1.006 0.000 0.856 124 R HN 0.279 nan 8.270 nan 0.000 0.436 125 E N -0.111 119.742 120.200 -0.578 0.000 2.274 125 E HA -0.091 4.260 4.350 0.001 0.000 0.194 125 E C 1.868 178.292 176.600 -0.293 0.000 0.996 125 E CA 0.770 56.871 56.400 -0.498 0.000 0.840 125 E CB 0.222 29.424 29.700 -0.831 0.000 0.772 125 E HN 0.246 nan 8.360 nan 0.000 0.491 126 V N 0.686 120.456 119.914 -0.240 0.000 2.685 126 V HA -0.020 4.101 4.120 0.001 0.000 0.244 126 V C 2.198 178.252 176.094 -0.067 0.000 1.054 126 V CA 0.547 62.769 62.300 -0.130 0.000 1.076 126 V CB -0.084 31.674 31.823 -0.108 0.000 0.725 126 V HN 0.141 nan 8.190 nan 0.000 0.467 127 I N 0.055 120.598 120.570 -0.045 0.000 2.439 127 I HA 0.179 4.349 4.170 0.001 0.000 0.251 127 I C 1.460 177.608 176.117 0.050 0.000 1.139 127 I CA 1.106 62.423 61.300 0.029 0.000 1.438 127 I CB -0.521 37.545 38.000 0.110 0.000 1.085 127 I HN 0.504 nan 8.210 nan 0.000 0.427 128 G N 0.356 109.180 108.800 0.039 0.000 2.681 128 G HA2 0.170 4.130 3.960 0.001 0.000 0.220 128 G HA3 0.170 4.130 3.960 0.001 0.000 0.220 128 G C 0.129 175.117 174.900 0.147 0.000 1.353 128 G CA -0.489 44.641 45.100 0.050 0.000 0.872 128 G HN 1.083 nan 8.290 nan 0.000 0.557 129 G N -1.555 107.300 108.800 0.092 0.000 2.592 129 G HA2 0.372 4.333 3.960 0.001 0.000 0.684 129 G HA3 0.372 4.333 3.960 0.001 0.000 0.684 129 G C -0.569 174.398 174.900 0.112 0.000 1.291 129 G CA 0.443 45.593 45.100 0.084 0.000 0.891 129 G HN 1.401 nan 8.290 nan 0.000 0.544 130 D N -0.072 120.372 120.400 0.072 0.000 2.313 130 D HA 0.331 4.971 4.640 0.001 0.000 0.247 130 D C 0.890 177.275 176.300 0.142 0.000 1.094 130 D CA -0.207 53.840 54.000 0.078 0.000 0.925 130 D CB 1.091 41.914 40.800 0.039 0.000 1.188 130 D HN 0.343 nan 8.370 nan 0.000 0.430 131 D N 1.186 121.664 120.400 0.131 0.000 2.123 131 D HA -0.131 4.509 4.640 0.001 0.000 0.196 131 D C 1.802 178.197 176.300 0.159 0.000 0.992 131 D CA 1.127 55.226 54.000 0.164 0.000 0.833 131 D CB -0.180 40.676 40.800 0.093 0.000 0.954 131 D HN 0.488 nan 8.370 nan 0.000 0.455 132 A N 0.177 123.056 122.820 0.097 0.000 2.225 132 A HA -0.132 4.188 4.320 0.001 0.000 0.215 132 A C 1.995 179.636 177.584 0.094 0.000 1.164 132 A CA 0.749 52.839 52.037 0.088 0.000 0.710 132 A CB -0.519 18.513 19.000 0.053 0.000 0.780 132 A HN 0.094 nan 8.150 nan 0.000 0.473 133 R N -1.745 118.760 120.500 0.008 0.000 2.275 133 R HA 0.089 4.429 4.340 0.001 0.000 0.199 133 R C -0.739 175.195 176.300 -0.611 0.000 0.989 133 R CA 0.311 56.275 56.100 -0.226 0.000 1.016 133 R CB 0.034 30.123 30.300 -0.352 0.000 0.918 133 R HN 0.528 nan 8.270 nan 0.000 0.473 134 Y N -1.393 118.789 120.300 -0.196 0.000 2.562 134 Y HA 0.442 4.993 4.550 0.001 0.000 0.343 134 Y C -0.113 175.684 175.900 -0.171 0.000 1.025 134 Y CA -0.759 57.151 58.100 -0.316 0.000 1.082 134 Y CB 2.469 40.827 38.460 -0.169 0.000 1.264 134 Y HN -0.233 nan 8.280 nan 0.000 0.478 135 S N 1.426 117.123 115.700 -0.005 0.000 2.546 135 S HA 0.515 4.985 4.470 0.001 0.000 0.274 135 S C -1.522 173.139 174.600 0.101 0.000 1.121 135 S CA -0.948 57.331 58.200 0.133 0.000 0.887 135 S CB 2.001 65.400 63.200 0.332 0.000 1.094 135 S HN 0.467 nan 8.310 nan 0.000 0.474 136 R N 2.811 123.344 120.500 0.056 0.000 2.320 136 R HA 0.455 4.795 4.340 0.001 0.000 0.319 136 R C -0.893 175.368 176.300 -0.064 0.000 0.969 136 R CA -0.457 55.636 56.100 -0.012 0.000 0.857 136 R CB 0.556 30.828 30.300 -0.047 0.000 1.160 136 R HN 0.639 nan 8.270 nan 0.000 0.491 137 V N 1.979 121.817 119.914 -0.127 0.000 2.607 137 V HA 0.589 4.710 4.120 0.001 0.000 0.289 137 V C -0.073 175.891 176.094 -0.217 0.000 1.053 137 V CA -0.670 61.500 62.300 -0.216 0.000 0.996 137 V CB 1.714 33.216 31.823 -0.536 0.000 0.995 137 V HN 0.278 nan 8.190 nan 0.000 0.476 138 V N 6.386 126.196 119.914 -0.173 0.000 2.444 138 V HA 0.724 4.844 4.120 0.001 0.000 0.294 138 V C -0.470 175.545 176.094 -0.132 0.000 1.022 138 V CA -0.281 61.848 62.300 -0.284 0.000 0.850 138 V CB 0.971 32.678 31.823 -0.192 0.000 0.992 138 V HN 0.994 nan 8.190 nan 0.000 0.426 139 F N 2.305 122.227 119.950 -0.047 0.000 2.601 139 F HA 0.652 5.179 4.527 0.001 0.000 0.309 139 F C 0.182 175.981 175.800 -0.002 0.000 1.089 139 F CA -1.188 56.811 58.000 -0.002 0.000 0.940 139 F CB 1.710 40.731 39.000 0.035 0.000 1.273 139 F HN 0.381 nan 8.300 nan 0.000 0.450 140 N N 0.107 118.953 118.700 0.244 0.000 2.235 140 N HA 0.239 4.979 4.740 0.001 0.000 0.231 140 N C -0.908 174.820 175.510 0.363 0.000 1.177 140 N CA 0.003 53.173 53.050 0.200 0.000 0.874 140 N CB 0.777 39.325 38.487 0.102 0.000 1.097 140 N HN 0.932 nan 8.380 nan 0.000 0.518 141 E N 0.198 120.658 120.200 0.433 0.000 2.381 141 E HA 0.299 4.649 4.350 0.001 0.000 0.286 141 E C -1.321 175.359 176.600 0.132 0.000 0.960 141 E CA -0.526 56.054 56.400 0.300 0.000 0.793 141 E CB 1.764 31.556 29.700 0.155 0.000 1.225 141 E HN 0.101 nan 8.360 nan 0.000 0.420 142 I N 4.258 124.813 120.570 -0.025 0.000 2.318 142 I HA 0.204 4.374 4.170 0.001 0.000 0.285 142 I C 0.187 176.172 176.117 -0.219 0.000 1.127 142 I CA -0.054 61.114 61.300 -0.219 0.000 1.243 142 I CB -0.035 37.805 38.000 -0.267 0.000 1.498 142 I HN 0.426 nan 8.210 nan 0.000 0.535 143 T N -0.624 113.699 114.554 -0.385 0.000 2.858 143 T HA 0.356 4.706 4.350 0.001 0.000 0.285 143 T C 0.827 174.830 174.700 -1.162 0.000 1.052 143 T CA -0.795 60.920 62.100 -0.642 0.000 1.009 143 T CB 2.506 71.195 68.868 -0.298 0.000 1.241 143 T HN 0.317 nan 8.240 nan 0.000 0.542 144 K N 0.159 119.853 120.400 -1.177 0.000 2.025 144 K HA -0.075 4.246 4.320 0.001 0.000 0.207 144 K C 1.993 178.364 176.600 -0.381 0.000 1.049 144 K CA 1.524 57.304 56.287 -0.845 0.000 0.933 144 K CB -0.217 32.073 32.500 -0.350 0.000 0.714 144 K HN 0.500 nan 8.250 nan 0.000 0.438 145 N N 0.511 119.061 118.700 -0.250 0.000 2.142 145 N HA -0.121 4.619 4.740 0.001 0.000 0.186 145 N C 1.750 177.199 175.510 -0.101 0.000 1.023 145 N CA 1.290 54.266 53.050 -0.124 0.000 0.852 145 N CB -0.308 38.139 38.487 -0.068 0.000 0.998 145 N HN 0.277 nan 8.380 nan 0.000 0.424 146 A N 1.863 124.607 122.820 -0.127 0.000 1.877 146 A HA -0.097 4.223 4.320 0.001 0.000 0.216 146 A C 2.115 179.675 177.584 -0.040 0.000 1.186 146 A CA 1.030 53.038 52.037 -0.049 0.000 0.620 146 A CB -0.441 18.538 19.000 -0.034 0.000 0.822 146 A HN 0.112 nan 8.150 nan 0.000 0.443 147 I N -0.503 119.963 120.570 -0.174 0.000 2.394 147 I HA -0.140 4.030 4.170 0.001 0.000 0.251 147 I C 2.474 178.594 176.117 0.004 0.000 1.136 147 I CA 1.345 62.573 61.300 -0.120 0.000 1.425 147 I CB -1.199 36.656 38.000 -0.242 0.000 1.079 147 I HN 0.450 nan 8.210 nan 0.000 0.425 148 R N 1.177 121.646 120.500 -0.052 0.000 2.070 148 R HA -0.192 4.149 4.340 0.001 0.000 0.233 148 R C 2.200 178.534 176.300 0.057 0.000 1.137 148 R CA 1.615 57.711 56.100 -0.006 0.000 0.945 148 R CB -0.128 30.156 30.300 -0.026 0.000 0.845 148 R HN 0.404 nan 8.270 nan 0.000 0.430 149 Q N -0.457 119.370 119.800 0.045 0.000 2.226 149 Q HA -0.102 4.238 4.340 0.001 0.000 0.204 149 Q C 2.004 178.053 176.000 0.083 0.000 0.975 149 Q CA 1.421 57.259 55.803 0.058 0.000 0.866 149 Q CB -0.015 28.750 28.738 0.045 0.000 0.915 149 Q HN 0.439 nan 8.270 nan 0.000 0.440 150 A N 0.121 123.016 122.820 0.125 0.000 1.872 150 A HA -0.109 4.212 4.320 0.001 0.000 0.214 150 A C 1.552 179.153 177.584 0.029 0.000 1.187 150 A CA 0.955 53.068 52.037 0.127 0.000 0.614 150 A CB -0.473 18.702 19.000 0.292 0.000 0.826 150 A HN 0.308 nan 8.150 nan 0.000 0.442 151 F N -0.097 119.822 119.950 -0.052 0.000 2.710 151 F HA 0.051 4.578 4.527 0.001 0.000 0.298 151 F C 2.049 177.831 175.800 -0.030 0.000 1.137 151 F CA 0.789 58.711 58.000 -0.129 0.000 1.444 151 F CB -0.359 38.463 39.000 -0.297 0.000 1.111 151 F HN 0.247 nan 8.300 nan 0.000 0.580 152 N N 0.589 119.374 118.700 0.140 0.000 2.109 152 N HA -0.082 4.659 4.740 0.001 0.000 0.188 152 N C 0.223 175.781 175.510 0.080 0.000 1.034 152 N CA 1.161 54.275 53.050 0.105 0.000 0.846 152 N CB 0.032 38.565 38.487 0.077 0.000 1.010 152 N HN 0.015 nan 8.380 nan 0.000 0.425 153 K N 1.052 121.486 120.400 0.058 0.000 2.655 153 K HA 0.274 4.595 4.320 0.001 0.000 0.213 153 K C -2.502 174.115 176.600 0.029 0.000 1.126 153 K CA -1.421 54.891 56.287 0.043 0.000 1.076 153 K CB 1.390 33.910 32.500 0.033 0.000 1.644 153 K HN 0.287 nan 8.250 nan 0.000 0.523 154 P HA 0.063 nan 4.420 nan 0.000 0.271 154 P C -0.011 177.314 177.300 0.041 0.000 1.218 154 P CA -0.012 63.105 63.100 0.028 0.000 0.780 154 P CB 1.468 33.245 31.700 0.127 0.000 0.901 155 G N 1.527 110.336 108.800 0.015 0.000 2.938 155 G HA2 0.454 4.415 3.960 0.001 0.000 0.258 155 G HA3 0.454 4.415 3.960 0.001 0.000 0.258 155 G C -0.725 174.187 174.900 0.021 0.000 1.356 155 G CA -0.440 44.666 45.100 0.010 0.000 1.052 155 G HN 0.445 nan 8.290 nan 0.000 0.550 156 E N -0.841 119.359 120.200 0.001 0.000 2.249 156 E HA 0.347 4.697 4.350 0.001 0.000 0.263 156 E C -0.781 175.800 176.600 -0.031 0.000 0.950 156 E CA -1.030 55.372 56.400 0.003 0.000 0.827 156 E CB 2.491 32.193 29.700 0.004 0.000 1.220 156 E HN 0.227 nan 8.360 nan 0.000 0.411 157 L N 2.562 123.766 121.223 -0.031 0.000 2.513 157 L HA 0.005 4.345 4.340 0.001 0.000 0.272 157 L C 0.213 177.029 176.870 -0.091 0.000 1.187 157 L CA 0.351 55.154 54.840 -0.061 0.000 0.895 157 L CB -0.077 41.958 42.059 -0.039 0.000 1.147 157 L HN 0.312 nan 8.230 nan 0.000 0.483 158 N N 5.361 123.985 118.700 -0.126 0.000 2.437 158 N HA 0.016 4.756 4.740 0.001 0.000 0.243 158 N C 0.948 176.331 175.510 -0.212 0.000 1.041 158 N CA -0.264 52.697 53.050 -0.148 0.000 0.940 158 N CB 0.569 38.970 38.487 -0.143 0.000 1.133 158 N HN 0.670 nan 8.380 nan 0.000 0.506 159 I N 2.862 123.303 120.570 -0.216 0.000 2.361 159 I HA -0.209 3.962 4.170 0.001 0.000 0.251 159 I C 0.951 176.857 176.117 -0.352 0.000 1.133 159 I CA 1.115 62.226 61.300 -0.316 0.000 1.413 159 I CB -0.260 37.600 38.000 -0.234 0.000 1.073 159 I HN 0.532 nan 8.210 nan 0.000 0.424 160 D N 0.451 120.715 120.400 -0.228 0.000 2.117 160 D HA -0.168 4.472 4.640 0.001 0.000 0.197 160 D C 2.218 178.361 176.300 -0.263 0.000 0.987 160 D CA 0.900 54.784 54.000 -0.193 0.000 0.829 160 D CB -0.136 40.626 40.800 -0.064 0.000 0.961 160 D HN 0.314 nan 8.370 nan 0.000 0.460 161 R N 0.716 121.067 120.500 -0.248 0.000 2.070 161 R HA -0.069 4.271 4.340 0.001 0.000 0.233 161 R C 2.539 178.628 176.300 -0.351 0.000 1.137 161 R CA 0.540 56.488 56.100 -0.254 0.000 0.945 161 R CB -1.239 28.930 30.300 -0.218 0.000 0.845 161 R HN 0.167 nan 8.270 nan 0.000 0.430 162 V N 2.610 122.258 119.914 -0.444 0.000 2.332 162 V HA -0.249 3.871 4.120 0.001 0.000 0.248 162 V C 1.895 177.520 176.094 -0.781 0.000 1.055 162 V CA 1.912 63.840 62.300 -0.620 0.000 1.038 162 V CB -0.612 30.688 31.823 -0.873 0.000 0.651 162 V HN 0.295 nan 8.190 nan 0.000 0.450 163 N N 0.196 118.392 118.700 -0.840 0.000 2.309 163 N HA -0.043 4.697 4.740 0.001 0.000 0.182 163 N C 1.801 176.914 175.510 -0.663 0.000 1.018 163 N CA 1.405 53.791 53.050 -1.107 0.000 0.876 163 N CB -0.355 37.389 38.487 -1.237 0.000 0.972 163 N HN 0.516 nan 8.380 nan 0.000 0.434 164 A N 0.816 123.375 122.820 -0.435 0.000 1.897 164 A HA -0.171 4.149 4.320 0.001 0.000 0.215 164 A C 2.233 179.640 177.584 -0.294 0.000 1.181 164 A CA 1.533 53.398 52.037 -0.286 0.000 0.620 164 A CB -0.547 18.322 19.000 -0.218 0.000 0.821 164 A HN 0.282 nan 8.150 nan 0.000 0.443 165 Q N 0.091 119.697 119.800 -0.322 0.000 2.050 165 Q HA -0.203 4.137 4.340 0.001 0.000 0.202 165 Q C 2.071 177.888 176.000 -0.306 0.000 0.980 165 Q CA 2.393 58.039 55.803 -0.261 0.000 0.840 165 Q CB -0.575 28.027 28.738 -0.227 0.000 0.898 165 Q HN 0.714 nan 8.270 nan 0.000 0.424 166 Q N -0.290 119.223 119.800 -0.479 0.000 2.061 166 Q HA -0.184 4.156 4.340 0.001 0.000 0.204 166 Q C 2.128 177.707 176.000 -0.702 0.000 0.984 166 Q CA 1.642 57.047 55.803 -0.664 0.000 0.846 166 Q CB -0.405 27.753 28.738 -0.967 0.000 0.902 166 Q HN 0.567 nan 8.270 nan 0.000 0.421 167 A N 1.391 123.957 122.820 -0.423 0.000 1.908 167 A HA -0.249 4.072 4.320 0.001 0.000 0.218 167 A C 2.050 179.479 177.584 -0.259 0.000 1.181 167 A CA 1.702 53.595 52.037 -0.241 0.000 0.627 167 A CB -0.620 18.307 19.000 -0.122 0.000 0.818 167 A HN 0.292 nan 8.150 nan 0.000 0.445 168 R N -0.845 119.510 120.500 -0.243 0.000 2.081 168 R HA -0.189 4.152 4.340 0.001 0.000 0.235 168 R C 2.348 178.570 176.300 -0.131 0.000 1.131 168 R CA 1.782 57.757 56.100 -0.208 0.000 0.960 168 R CB -0.254 29.944 30.300 -0.172 0.000 0.856 168 R HN 0.382 nan 8.270 nan 0.000 0.436 169 R N 0.162 120.609 120.500 -0.088 0.000 2.080 169 R HA -0.132 4.209 4.340 0.001 0.000 0.236 169 R C 2.044 178.495 176.300 0.252 0.000 1.137 169 R CA 1.959 58.103 56.100 0.074 0.000 0.943 169 R CB -0.761 29.606 30.300 0.113 0.000 0.846 169 R HN 0.223 nan 8.270 nan 0.000 0.431 170 F N 0.049 120.014 119.950 0.025 0.000 2.171 170 F HA -0.099 4.428 4.527 0.000 0.000 0.300 170 F C 2.233 178.017 175.800 -0.026 0.000 1.090 170 F CA 0.934 58.965 58.000 0.051 0.000 1.293 170 F CB -0.906 38.144 39.000 0.083 0.000 1.013 170 F HN 0.079 nan 8.300 nan 0.000 0.486 171 M N -0.202 119.358 119.600 -0.067 0.000 2.086 171 M HA -0.218 4.262 4.480 0.001 0.000 0.261 171 M C 1.823 178.024 176.300 -0.165 0.000 1.067 171 M CA 1.713 56.743 55.300 -0.449 0.000 1.116 171 M CB -0.457 31.615 32.600 -0.881 0.000 1.348 171 M HN -0.063 nan 8.290 nan 0.000 0.407 172 D N -0.440 119.913 120.400 -0.080 0.000 2.144 172 D HA -0.153 4.487 4.640 0.001 0.000 0.200 172 D C 1.956 178.313 176.300 0.095 0.000 0.978 172 D CA 1.077 55.075 54.000 -0.003 0.000 0.833 172 D CB -0.373 40.433 40.800 0.010 0.000 0.961 172 D HN 0.157 nan 8.370 nan 0.000 0.470 173 R N 1.084 121.664 120.500 0.134 0.000 2.075 173 R HA -0.067 4.274 4.340 0.001 0.000 0.232 173 R C 2.034 178.444 176.300 0.183 0.000 1.126 173 R CA 1.007 57.190 56.100 0.138 0.000 0.963 173 R CB -0.839 29.497 30.300 0.061 0.000 0.858 173 R HN 0.023 nan 8.270 nan 0.000 0.435 174 V N -0.150 119.895 119.914 0.218 0.000 2.295 174 V HA -0.212 3.909 4.120 0.001 0.000 0.246 174 V C 2.374 178.621 176.094 0.256 0.000 1.049 174 V CA 1.818 64.308 62.300 0.317 0.000 1.024 174 V CB -0.455 31.684 31.823 0.528 0.000 0.648 174 V HN 0.178 nan 8.190 nan 0.000 0.447 175 V N 0.885 120.847 119.914 0.080 0.000 2.261 175 V HA -0.210 3.911 4.120 0.001 0.000 0.246 175 V C 2.652 178.773 176.094 0.046 0.000 1.047 175 V CA 2.353 64.608 62.300 -0.075 0.000 1.015 175 V CB -1.456 30.281 31.823 -0.144 0.000 0.642 175 V HN 0.615 nan 8.190 nan 0.000 0.446 176 G N -1.716 107.153 108.800 0.116 0.000 2.418 176 G HA2 -0.272 3.688 3.960 0.001 0.000 0.217 176 G HA3 -0.272 3.688 3.960 0.001 0.000 0.217 176 G C 1.420 176.383 174.900 0.104 0.000 1.158 176 G CA 0.913 46.084 45.100 0.119 0.000 0.771 176 G HN 0.533 nan 8.290 nan 0.000 0.545 177 Y N -0.292 120.040 120.300 0.053 0.000 2.516 177 Y HA 0.304 4.855 4.550 0.001 0.000 0.291 177 Y C 2.704 178.636 175.900 0.053 0.000 1.131 177 Y CA 0.550 58.688 58.100 0.063 0.000 1.281 177 Y CB 0.175 38.709 38.460 0.124 0.000 1.013 177 Y HN 0.131 nan 8.280 nan 0.000 0.554 178 M N -2.164 117.576 119.600 0.233 0.000 2.461 178 M HA 0.022 4.503 4.480 0.001 0.000 0.255 178 M C 1.223 177.572 176.300 0.080 0.000 1.137 178 M CA 0.361 55.797 55.300 0.227 0.000 1.086 178 M CB 0.541 33.399 32.600 0.430 0.000 1.356 178 M HN 0.002 nan 8.290 nan 0.000 0.487 179 V N -1.623 118.243 119.914 -0.081 0.000 2.922 179 V HA 0.006 4.127 4.120 0.001 0.000 0.242 179 V C 2.084 177.997 176.094 -0.301 0.000 1.094 179 V CA 0.974 63.102 62.300 -0.287 0.000 1.106 179 V CB 0.119 31.643 31.823 -0.498 0.000 0.799 179 V HN 0.280 nan 8.190 nan 0.000 0.474 180 S N 0.944 116.416 115.700 -0.380 0.000 2.374 180 S HA -0.155 4.315 4.470 0.001 0.000 0.227 180 S C -0.258 173.602 174.600 -1.233 0.000 1.037 180 S CA 2.211 60.030 58.200 -0.635 0.000 1.024 180 S CB -1.232 61.623 63.200 -0.575 0.000 0.861 180 S HN 0.463 nan 8.310 nan 0.000 0.456 181 P HA -0.067 nan 4.420 nan 0.000 0.216 181 P C 1.626 178.739 177.300 -0.310 0.000 1.150 181 P CA 0.706 63.223 63.100 -0.971 0.000 0.837 181 P CB -0.017 31.427 31.700 -0.427 0.000 0.786 182 L N -1.378 119.736 121.223 -0.181 0.000 2.141 182 L HA -0.094 4.247 4.340 0.001 0.000 0.209 182 L C 1.980 178.851 176.870 0.002 0.000 1.094 182 L CA 1.460 56.298 54.840 -0.004 0.000 0.763 182 L CB -0.668 41.461 42.059 0.118 0.000 0.908 182 L HN -0.113 nan 8.230 nan 0.000 0.437 183 L N -1.912 119.257 121.223 -0.090 0.000 2.156 183 L HA -0.137 4.203 4.340 0.001 0.000 0.208 183 L C 2.274 179.233 176.870 0.149 0.000 1.095 183 L CA 0.562 55.406 54.840 0.007 0.000 0.770 183 L CB -0.678 41.368 42.059 -0.022 0.000 0.914 183 L HN 0.423 nan 8.230 nan 0.000 0.439 184 W N 0.749 122.083 121.300 0.057 0.000 2.388 184 W HA -0.103 4.557 4.660 0.001 0.000 0.294 184 W C 2.552 179.096 176.519 0.042 0.000 1.212 184 W CA 0.622 57.994 57.345 0.044 0.000 1.271 184 W CB -0.717 28.763 29.460 0.033 0.000 1.126 184 W HN 0.148 nan 8.180 nan 0.000 0.535 185 K N 0.802 121.364 120.400 0.270 0.000 1.991 185 K HA -0.148 4.172 4.320 0.001 0.000 0.207 185 K C 1.913 178.583 176.600 0.118 0.000 1.045 185 K CA 1.469 57.857 56.287 0.168 0.000 0.937 185 K CB -0.080 32.498 32.500 0.130 0.000 0.720 185 K HN -0.293 nan 8.250 nan 0.000 0.438 186 K N -0.132 120.327 120.400 0.099 0.000 2.432 186 K HA 0.147 4.467 4.320 0.001 0.000 0.196 186 K C 1.251 177.898 176.600 0.079 0.000 1.038 186 K CA 0.744 57.076 56.287 0.074 0.000 0.986 186 K CB 0.351 32.885 32.500 0.057 0.000 0.782 186 K HN 0.256 nan 8.250 nan 0.000 0.485 187 I N -2.402 118.231 120.570 0.104 0.000 3.685 187 I HA 0.304 4.474 4.170 0.001 0.000 0.258 187 I C -0.252 175.936 176.117 0.118 0.000 1.135 187 I CA -0.286 61.076 61.300 0.103 0.000 1.436 187 I CB 0.844 38.907 38.000 0.106 0.000 1.670 187 I HN -0.106 nan 8.210 nan 0.000 0.424 188 A N 0.559 123.476 122.820 0.160 0.000 2.590 188 A HA 0.699 5.019 4.320 0.001 0.000 0.294 188 A C -1.432 176.279 177.584 0.213 0.000 1.046 188 A CA -0.625 51.502 52.037 0.151 0.000 0.684 188 A CB 1.021 20.093 19.000 0.119 0.000 1.279 188 A HN 0.081 nan 8.150 nan 0.000 0.415 189 R N 0.165 120.730 120.500 0.110 0.000 2.438 189 R HA 0.560 4.900 4.340 0.001 0.000 0.287 189 R C 1.345 177.650 176.300 0.008 0.000 1.077 189 R CA 1.353 57.441 56.100 -0.019 0.000 1.034 189 R CB 0.689 30.890 30.300 -0.166 0.000 0.993 189 R HN 2.227 nan 8.270 nan 0.000 0.459 190 G N 1.210 110.006 108.800 -0.007 0.000 2.213 190 G HA2 -0.229 3.731 3.960 0.001 0.000 0.226 190 G HA3 -0.229 3.731 3.960 0.001 0.000 0.226 190 G C -0.082 174.955 174.900 0.229 0.000 0.992 190 G CA -0.472 44.673 45.100 0.075 0.000 0.632 190 G HN 0.386 nan 8.290 nan 0.000 0.511 191 L N 1.969 123.410 121.223 0.364 0.000 2.397 191 L HA 0.604 4.945 4.340 0.001 0.000 0.271 191 L C 0.739 177.806 176.870 0.329 0.000 1.148 191 L CA 0.261 55.300 54.840 0.332 0.000 0.825 191 L CB 1.498 43.753 42.059 0.327 0.000 1.117 191 L HN 0.488 nan 8.230 nan 0.000 0.456 192 S N 1.384 117.233 115.700 0.248 0.000 2.548 192 S HA 0.798 5.268 4.470 0.001 0.000 0.276 192 S C -0.718 173.971 174.600 0.147 0.000 1.129 192 S CA -0.864 57.422 58.200 0.144 0.000 0.931 192 S CB 1.962 65.246 63.200 0.139 0.000 1.068 192 S HN 0.712 nan 8.310 nan 0.000 0.480 193 A N 1.928 124.768 122.820 0.032 0.000 2.306 193 A HA 0.900 5.221 4.320 0.001 0.000 0.314 193 A C 0.454 178.052 177.584 0.024 0.000 1.164 193 A CA -0.384 51.663 52.037 0.018 0.000 0.822 193 A CB 0.606 19.552 19.000 -0.091 0.000 1.130 193 A HN 1.491 nan 8.150 nan 0.000 0.496 194 G N 0.037 108.863 108.800 0.042 0.000 2.482 194 G HA2 0.463 4.423 3.960 0.001 0.000 0.317 194 G HA3 0.463 4.423 3.960 0.001 0.000 0.317 194 G C 0.548 175.455 174.900 0.011 0.000 1.241 194 G CA -0.548 44.573 45.100 0.035 0.000 0.967 194 G HN 0.880 nan 8.290 nan 0.000 0.482 195 R N 0.798 121.293 120.500 -0.007 0.000 2.083 195 R HA -0.105 4.236 4.340 0.001 0.000 0.237 195 R C 1.840 178.151 176.300 0.017 0.000 1.137 195 R CA 2.069 58.165 56.100 -0.006 0.000 0.951 195 R CB -0.136 30.129 30.300 -0.058 0.000 0.851 195 R HN 0.385 nan 8.270 nan 0.000 0.434 196 V N 1.243 121.155 119.914 -0.003 0.000 2.575 196 V HA -0.117 4.003 4.120 0.001 0.000 0.242 196 V C 2.272 178.382 176.094 0.026 0.000 1.045 196 V CA 1.035 63.336 62.300 0.003 0.000 1.065 196 V CB 0.011 31.811 31.823 -0.039 0.000 0.717 196 V HN 0.413 nan 8.190 nan 0.000 0.467 197 Q N 0.332 120.152 119.800 0.034 0.000 2.234 197 Q HA -0.174 4.166 4.340 0.001 0.000 0.206 197 Q C 2.173 178.219 176.000 0.077 0.000 0.980 197 Q CA 1.938 57.779 55.803 0.063 0.000 0.869 197 Q CB -0.943 27.851 28.738 0.093 0.000 0.912 197 Q HN 0.527 nan 8.270 nan 0.000 0.436 198 S N 0.786 116.520 115.700 0.056 0.000 2.356 198 S HA -0.071 4.399 4.470 0.001 0.000 0.223 198 S C 2.139 176.761 174.600 0.037 0.000 1.032 198 S CA 1.175 59.389 58.200 0.025 0.000 1.005 198 S CB -0.155 63.048 63.200 0.006 0.000 0.867 198 S HN 0.248 nan 8.310 nan 0.000 0.449 199 V N 1.759 121.716 119.914 0.072 0.000 2.515 199 V HA -0.133 3.988 4.120 0.001 0.000 0.250 199 V C 2.517 178.706 176.094 0.159 0.000 1.058 199 V CA 1.513 63.891 62.300 0.131 0.000 1.064 199 V CB -1.051 30.886 31.823 0.189 0.000 0.675 199 V HN 0.521 nan 8.190 nan 0.000 0.461 200 A N -0.234 122.632 122.820 0.077 0.000 1.933 200 A HA -0.142 4.179 4.320 0.001 0.000 0.218 200 A C 2.359 179.948 177.584 0.007 0.000 1.175 200 A CA 1.912 53.953 52.037 0.006 0.000 0.628 200 A CB -0.557 18.427 19.000 -0.027 0.000 0.814 200 A HN 0.345 nan 8.150 nan 0.000 0.444 201 V N -0.044 119.902 119.914 0.052 0.000 2.427 201 V HA -0.217 3.903 4.120 0.001 0.000 0.248 201 V C 2.599 178.735 176.094 0.070 0.000 1.051 201 V CA 2.098 64.438 62.300 0.067 0.000 1.048 201 V CB -0.796 31.055 31.823 0.047 0.000 0.666 201 V HN 0.656 nan 8.190 nan 0.000 0.456 202 R N -0.057 120.491 120.500 0.081 0.000 2.081 202 R HA -0.136 4.205 4.340 0.001 0.000 0.235 202 R C 2.316 178.738 176.300 0.204 0.000 1.131 202 R CA 1.571 57.737 56.100 0.111 0.000 0.960 202 R CB -0.308 30.033 30.300 0.068 0.000 0.856 202 R HN 0.436 nan 8.270 nan 0.000 0.436 203 L N 0.246 121.609 121.223 0.233 0.000 2.043 203 L HA -0.212 4.129 4.340 0.001 0.000 0.212 203 L C 2.401 179.435 176.870 0.273 0.000 1.075 203 L CA 1.239 56.204 54.840 0.209 0.000 0.752 203 L CB -0.345 41.690 42.059 -0.041 0.000 0.891 203 L HN 0.111 nan 8.230 nan 0.000 0.432 204 V N -1.350 118.660 119.914 0.160 0.000 2.453 204 V HA -0.178 3.943 4.120 0.001 0.000 0.247 204 V C 2.327 178.545 176.094 0.207 0.000 1.048 204 V CA 1.040 63.486 62.300 0.244 0.000 1.049 204 V CB 0.058 31.964 31.823 0.139 0.000 0.672 204 V HN 0.177 nan 8.190 nan 0.000 0.457 205 V N 0.063 120.072 119.914 0.158 0.000 2.307 205 V HA -0.191 3.930 4.120 0.001 0.000 0.245 205 V C 2.607 178.772 176.094 0.118 0.000 1.045 205 V CA 1.847 64.222 62.300 0.125 0.000 1.024 205 V CB -0.567 31.311 31.823 0.091 0.000 0.651 205 V HN 0.582 nan 8.190 nan 0.000 0.449 206 E N 0.262 120.545 120.200 0.139 0.000 2.058 206 E HA -0.289 4.061 4.350 0.001 0.000 0.194 206 E C 2.348 179.002 176.600 0.091 0.000 0.997 206 E CA 1.483 57.957 56.400 0.124 0.000 0.801 206 E CB -0.372 29.430 29.700 0.170 0.000 0.746 206 E HN 0.370 nan 8.360 nan 0.000 0.450 207 R N 1.681 122.241 120.500 0.099 0.000 2.105 207 R HA -0.171 4.169 4.340 0.001 0.000 0.239 207 R C 2.017 178.308 176.300 -0.016 0.000 1.135 207 R CA 1.803 57.894 56.100 -0.015 0.000 0.967 207 R CB -0.405 29.824 30.300 -0.118 0.000 0.861 207 R HN 0.054 nan 8.270 nan 0.000 0.442 208 E N 0.068 120.292 120.200 0.041 0.000 2.072 208 E HA -0.097 4.253 4.350 0.001 0.000 0.191 208 E C 1.863 178.491 176.600 0.047 0.000 0.985 208 E CA 1.487 57.911 56.400 0.040 0.000 0.801 208 E CB -0.011 29.739 29.700 0.084 0.000 0.750 208 E HN 0.345 nan 8.360 nan 0.000 0.452 209 R N -0.142 120.393 120.500 0.058 0.000 2.153 209 R HA 0.004 4.345 4.340 0.001 0.000 0.218 209 R C 2.230 178.565 176.300 0.059 0.000 1.072 209 R CA 1.059 57.195 56.100 0.060 0.000 0.990 209 R CB -0.033 30.303 30.300 0.061 0.000 0.889 209 R HN 0.250 nan 8.270 nan 0.000 0.452 210 E N 0.617 120.845 120.200 0.047 0.000 2.072 210 E HA -0.137 4.213 4.350 0.001 0.000 0.191 210 E C 1.885 178.526 176.600 0.068 0.000 0.985 210 E CA 0.959 57.389 56.400 0.050 0.000 0.801 210 E CB 0.054 29.760 29.700 0.010 0.000 0.750 210 E HN 0.287 nan 8.360 nan 0.000 0.452 211 I N 1.011 121.594 120.570 0.022 0.000 2.202 211 I HA -0.272 3.898 4.170 0.001 0.000 0.242 211 I C 2.220 178.397 176.117 0.099 0.000 1.091 211 I CA 1.181 62.493 61.300 0.020 0.000 1.368 211 I CB -0.156 37.818 38.000 -0.045 0.000 1.058 211 I HN -0.011 nan 8.210 nan 0.000 0.410 212 K N 0.882 121.332 120.400 0.084 0.000 2.147 212 K HA -0.093 4.227 4.320 0.001 0.000 0.205 212 K C 2.084 178.749 176.600 0.108 0.000 1.049 212 K CA 1.419 57.763 56.287 0.094 0.000 0.936 212 K CB -0.194 32.352 32.500 0.077 0.000 0.722 212 K HN 0.308 nan 8.250 nan 0.000 0.446 213 A N 0.906 123.792 122.820 0.111 0.000 2.119 213 A HA -0.018 4.302 4.320 0.001 0.000 0.216 213 A C 0.576 178.233 177.584 0.121 0.000 1.152 213 A CA -0.132 51.963 52.037 0.097 0.000 0.708 213 A CB -0.370 18.678 19.000 0.079 0.000 0.805 213 A HN 0.260 nan 8.150 nan 0.000 0.460 214 F N 0.891 120.853 119.950 0.020 0.000 2.608 214 F HA 0.278 4.806 4.527 0.001 0.000 0.380 214 F C -0.057 175.766 175.800 0.039 0.000 1.083 214 F CA 0.356 58.370 58.000 0.023 0.000 1.266 214 F CB 0.648 39.658 39.000 0.017 0.000 1.076 214 F HN -0.115 nan 8.300 nan 0.000 0.574 215 V N 8.504 127.962 119.914 -0.761 0.000 2.326 215 V HA 0.270 4.390 4.120 0.001 0.000 0.281 215 V C -2.042 173.585 176.094 -0.779 0.000 1.015 215 V CA -1.847 60.142 62.300 -0.518 0.000 0.823 215 V CB 1.035 32.692 31.823 -0.275 0.000 1.009 215 V HN 0.661 nan 8.190 nan 0.000 0.436 216 P HA 0.095 nan 4.420 nan 0.000 0.264 216 P C -0.284 177.005 177.300 -0.018 0.000 1.183 216 P CA 0.279 63.372 63.100 -0.011 0.000 0.763 216 P CB 0.505 32.467 31.700 0.437 0.000 0.807 217 E N 1.748 121.926 120.200 -0.037 0.000 2.151 217 E HA 0.139 4.489 4.350 0.001 0.000 0.275 217 E C -0.193 176.276 176.600 -0.218 0.000 0.936 217 E CA -0.714 55.618 56.400 -0.114 0.000 0.777 217 E CB 1.335 30.983 29.700 -0.087 0.000 1.108 217 E HN 0.461 nan 8.360 nan 0.000 0.401 218 E N 4.100 124.027 120.200 -0.455 0.000 2.338 218 E HA 0.273 4.624 4.350 0.001 0.000 0.272 218 E C -1.160 175.417 176.600 -0.039 0.000 1.029 218 E CA -0.385 55.598 56.400 -0.695 0.000 0.872 218 E CB 0.443 29.745 29.700 -0.663 0.000 1.015 218 E HN 0.351 nan 8.360 nan 0.000 0.417 219 F N 1.646 121.435 119.950 -0.269 0.000 2.678 219 F HA 0.595 5.123 4.527 0.001 0.000 0.308 219 F C -2.152 173.623 175.800 -0.042 0.000 1.118 219 F CA -1.433 56.546 58.000 -0.034 0.000 0.959 219 F CB 0.490 39.465 39.000 -0.042 0.000 1.305 219 F HN 0.301 nan 8.300 nan 0.000 0.443 220 W N 1.146 122.316 121.300 -0.216 0.000 2.647 220 W HA 0.755 5.416 4.660 0.001 0.000 0.353 220 W C -0.942 175.478 176.519 -0.165 0.000 1.080 220 W CA -0.521 56.643 57.345 -0.301 0.000 1.208 220 W CB 1.783 31.124 29.460 -0.198 0.000 1.396 220 W HN 0.550 nan 8.180 nan 0.000 0.573 221 E N 0.850 121.093 120.200 0.072 0.000 2.292 221 E HA 0.527 4.878 4.350 0.001 0.000 0.272 221 E C -1.539 175.222 176.600 0.267 0.000 0.881 221 E CA -0.937 55.595 56.400 0.220 0.000 0.754 221 E CB 2.743 32.565 29.700 0.204 0.000 1.201 221 E HN 0.052 nan 8.360 nan 0.000 0.425 222 V N 2.648 122.810 119.914 0.412 0.000 2.459 222 V HA 0.323 4.443 4.120 0.001 0.000 0.295 222 V C -0.773 175.409 176.094 0.146 0.000 1.029 222 V CA -0.685 61.768 62.300 0.256 0.000 0.874 222 V CB 1.811 33.770 31.823 0.227 0.000 0.985 222 V HN 0.669 nan 8.190 nan 0.000 0.438 223 D N 2.586 123.042 120.400 0.094 0.000 2.340 223 D HA 0.815 5.456 4.640 0.001 0.000 0.240 223 D C -0.421 175.897 176.300 0.031 0.000 1.001 223 D CA -0.189 53.851 54.000 0.068 0.000 0.888 223 D CB 2.017 42.859 40.800 0.071 0.000 1.310 223 D HN 0.832 nan 8.370 nan 0.000 0.474 224 A N 0.800 123.633 122.820 0.023 0.000 2.353 224 A HA 0.573 4.894 4.320 0.001 0.000 0.299 224 A C -0.628 176.931 177.584 -0.042 0.000 1.089 224 A CA -0.699 51.329 52.037 -0.015 0.000 0.736 224 A CB 1.437 20.451 19.000 0.024 0.000 1.195 224 A HN 0.326 nan 8.150 nan 0.000 0.447 225 S N 1.864 117.523 115.700 -0.068 0.000 2.499 225 S HA 0.730 5.200 4.470 0.001 0.000 0.279 225 S C 0.350 174.877 174.600 -0.122 0.000 1.219 225 S CA 0.438 58.598 58.200 -0.066 0.000 1.062 225 S CB 0.290 63.461 63.200 -0.048 0.000 0.978 225 S HN 1.519 nan 8.310 nan 0.000 0.489 226 T N 1.299 115.791 114.554 -0.105 0.000 2.838 226 T HA 0.669 5.019 4.350 0.001 0.000 0.292 226 T C -0.642 174.011 174.700 -0.079 0.000 1.113 226 T CA -0.721 61.297 62.100 -0.138 0.000 1.008 226 T CB 1.555 70.324 68.868 -0.166 0.000 1.259 226 T HN 0.433 nan 8.240 nan 0.000 0.520 227 T N 1.947 116.455 114.554 -0.075 0.000 2.841 227 T HA 0.670 5.020 4.350 0.001 0.000 0.283 227 T C 0.317 175.001 174.700 -0.026 0.000 1.000 227 T CA -0.529 61.546 62.100 -0.043 0.000 0.977 227 T CB 1.471 70.314 68.868 -0.041 0.000 0.979 227 T HN 1.077 nan 8.240 nan 0.000 0.446 228 T N 1.546 116.093 114.554 -0.012 0.000 2.754 228 T HA 0.309 4.659 4.350 0.001 0.000 0.286 228 T C -1.762 172.938 174.700 -0.001 0.000 0.997 228 T CA -1.523 60.576 62.100 -0.001 0.000 0.982 228 T CB 0.386 69.257 68.868 0.004 0.000 1.027 228 T HN 0.161 nan 8.240 nan 0.000 0.529 229 P HA -0.054 nan 4.420 nan 0.000 0.218 229 P C 1.574 178.875 177.300 0.003 0.000 1.148 229 P CA 1.116 64.219 63.100 0.005 0.000 0.822 229 P CB -0.069 31.636 31.700 0.009 0.000 0.784 230 S N -2.868 112.833 115.700 0.003 0.000 2.593 230 S HA 0.324 4.794 4.470 0.001 0.000 0.217 230 S C 1.653 176.253 174.600 -0.000 0.000 0.966 230 S CA 0.577 58.778 58.200 0.002 0.000 0.914 230 S CB -0.577 62.625 63.200 0.004 0.000 0.776 230 S HN 0.279 nan 8.310 nan 0.000 0.523 231 G N 1.004 109.802 108.800 -0.003 0.000 2.313 231 G HA2 -0.226 3.734 3.960 0.001 0.000 0.215 231 G HA3 -0.226 3.734 3.960 0.001 0.000 0.215 231 G C -0.213 174.683 174.900 -0.006 0.000 1.023 231 G CA -0.223 44.874 45.100 -0.006 0.000 0.626 231 G HN 0.569 nan 8.290 nan 0.000 0.503 232 E N 1.475 121.673 120.200 -0.003 0.000 2.502 232 E HA 0.402 4.752 4.350 0.001 0.000 0.261 232 E C 0.847 177.444 176.600 -0.005 0.000 0.974 232 E CA 0.235 56.634 56.400 -0.002 0.000 0.936 232 E CB 0.680 30.381 29.700 0.003 0.000 0.926 232 E HN 0.819 nan 8.360 nan 0.000 0.459 233 A N 3.121 125.938 122.820 -0.006 0.000 2.371 233 A HA 0.434 4.754 4.320 0.001 0.000 0.257 233 A C -0.646 176.935 177.584 -0.005 0.000 1.089 233 A CA -0.349 51.682 52.037 -0.010 0.000 0.794 233 A CB 0.406 19.401 19.000 -0.009 0.000 1.029 233 A HN 0.394 nan 8.150 nan 0.000 0.488 234 L N 1.429 122.646 121.223 -0.009 0.000 2.505 234 L HA 0.703 5.043 4.340 0.001 0.000 0.266 234 L C -0.238 176.631 176.870 -0.002 0.000 0.954 234 L CA -0.023 54.818 54.840 0.000 0.000 0.852 234 L CB 1.646 43.708 42.059 0.005 0.000 1.282 234 L HN 0.944 nan 8.230 nan 0.000 0.403 235 A N 5.903 128.729 122.820 0.011 0.000 2.292 235 A HA 0.877 5.197 4.320 0.001 0.000 0.319 235 A C -1.236 176.368 177.584 0.032 0.000 1.206 235 A CA -0.447 51.600 52.037 0.016 0.000 0.835 235 A CB 0.622 19.635 19.000 0.021 0.000 1.164 235 A HN 0.720 nan 8.150 nan 0.000 0.505 236 L N 1.164 122.411 121.223 0.040 0.000 2.371 236 L HA 0.596 4.936 4.340 0.001 0.000 0.262 236 L C -0.151 176.761 176.870 0.070 0.000 1.006 236 L CA -0.604 54.273 54.840 0.062 0.000 0.818 236 L CB 2.193 44.301 42.059 0.081 0.000 1.354 236 L HN 0.855 nan 8.230 nan 0.000 0.415 237 Q N 1.107 120.958 119.800 0.084 0.000 2.316 237 Q HA 0.498 4.838 4.340 0.001 0.000 0.264 237 Q C -1.358 174.699 176.000 0.095 0.000 0.987 237 Q CA -0.754 55.110 55.803 0.101 0.000 0.852 237 Q CB 2.362 31.175 28.738 0.125 0.000 1.287 237 Q HN 0.479 nan 8.270 nan 0.000 0.448 238 V N 4.138 124.087 119.914 0.058 0.000 2.479 238 V HA 0.034 4.154 4.120 0.001 0.000 0.281 238 V C 1.194 177.353 176.094 0.110 0.000 1.031 238 V CA 1.010 63.278 62.300 -0.054 0.000 1.038 238 V CB 0.596 32.132 31.823 -0.480 0.000 0.981 238 V HN 1.090 nan 8.190 nan 0.000 0.478 239 T N 1.147 115.787 114.554 0.143 0.000 3.056 239 T HA 0.205 4.555 4.350 0.001 0.000 0.243 239 T C 0.473 175.205 174.700 0.052 0.000 0.995 239 T CA 0.151 62.358 62.100 0.177 0.000 1.091 239 T CB 0.175 69.198 68.868 0.259 0.000 0.990 239 T HN 0.623 nan 8.240 nan 0.000 0.464 240 H N 0.210 119.362 119.070 0.136 0.000 2.821 240 H HA 0.750 5.306 4.556 0.001 0.000 0.373 240 H C -1.042 174.312 175.328 0.044 0.000 1.165 240 H CA -0.711 55.407 56.048 0.116 0.000 1.154 240 H CB 1.866 31.660 29.762 0.053 0.000 1.765 240 H HN 0.207 nan 8.280 nan 0.000 0.549 241 Q N 1.991 121.856 119.800 0.109 0.000 2.275 241 Q HA 0.212 4.553 4.340 0.001 0.000 0.266 241 Q C -0.591 175.323 176.000 -0.142 0.000 1.002 241 Q CA -0.537 55.146 55.803 -0.199 0.000 0.761 241 Q CB 0.950 29.577 28.738 -0.185 0.000 1.255 241 Q HN 0.834 nan 8.270 nan 0.000 0.446 242 N N 3.688 122.264 118.700 -0.206 0.000 2.735 242 N HA -0.185 4.556 4.740 0.001 0.000 0.248 242 N C -0.992 174.496 175.510 -0.038 0.000 1.083 242 N CA 1.495 54.471 53.050 -0.122 0.000 0.703 242 N CB -0.530 37.885 38.487 -0.120 0.000 1.005 242 N HN 1.002 nan 8.380 nan 0.000 0.550 243 D N -2.452 117.948 120.400 -0.000 0.000 3.059 243 D HA -0.197 4.444 4.640 0.001 0.000 0.220 243 D C -0.314 176.070 176.300 0.139 0.000 1.169 243 D CA 1.109 55.135 54.000 0.044 0.000 0.902 243 D CB -0.552 40.243 40.800 -0.009 0.000 1.116 243 D HN 0.510 nan 8.370 nan 0.000 0.417 244 K N -0.159 120.332 120.400 0.151 0.000 2.259 244 K HA 0.503 4.823 4.320 0.001 0.000 0.249 244 K C -2.528 174.139 176.600 0.113 0.000 0.942 244 K CA -1.939 54.428 56.287 0.134 0.000 0.816 244 K CB 1.539 34.072 32.500 0.055 0.000 1.155 244 K HN -0.193 nan 8.250 nan 0.000 0.428 245 P HA -0.049 nan 4.420 nan 0.000 0.264 245 P C -0.558 176.738 177.300 -0.007 0.000 1.183 245 P CA 0.090 63.073 63.100 -0.195 0.000 0.763 245 P CB 0.156 31.781 31.700 -0.125 0.000 0.807 246 F N 5.236 125.104 119.950 -0.137 0.000 2.404 246 F HA 0.324 4.852 4.527 0.001 0.000 0.359 246 F C 0.486 176.314 175.800 0.046 0.000 1.134 246 F CA -0.051 57.953 58.000 0.007 0.000 1.160 246 F CB 0.118 39.168 39.000 0.083 0.000 1.186 246 F HN 0.076 nan 8.300 nan 0.000 0.526 247 R N 6.957 127.230 120.500 -0.378 0.000 2.687 247 R HA 0.251 4.592 4.340 0.001 0.000 0.264 247 R C -2.812 173.306 176.300 -0.304 0.000 1.715 247 R CA -1.768 54.149 56.100 -0.305 0.000 1.633 247 R CB 0.268 30.505 30.300 -0.104 0.000 1.353 247 R HN 0.424 nan 8.270 nan 0.000 0.653 248 P HA 0.052 nan 4.420 nan 0.000 0.271 248 P C 0.819 178.085 177.300 -0.057 0.000 1.216 248 P CA -0.055 62.874 63.100 -0.286 0.000 0.776 248 P CB 1.314 32.799 31.700 -0.359 0.000 0.881 249 V N -1.039 118.852 119.914 -0.039 0.000 3.643 249 V HA 0.226 4.346 4.120 0.001 0.000 0.280 249 V C 0.501 176.676 176.094 0.134 0.000 1.351 249 V CA 0.090 62.447 62.300 0.095 0.000 1.073 249 V CB -0.876 30.965 31.823 0.030 0.000 0.863 249 V HN 0.712 nan 8.190 nan 0.000 0.436 250 N N -0.810 117.783 118.700 -0.178 0.000 2.825 250 N HA 0.249 4.989 4.740 0.001 0.000 0.253 250 N C 0.419 175.297 175.510 -1.053 0.000 1.426 250 N CA -0.555 52.331 53.050 -0.274 0.000 0.851 250 N CB 2.185 40.612 38.487 -0.101 0.000 1.470 250 N HN -0.094 nan 8.380 nan 0.000 0.517 251 K N 0.082 119.962 120.400 -0.868 0.000 2.103 251 K HA -0.186 4.134 4.320 0.001 0.000 0.207 251 K C 0.894 177.121 176.600 -0.622 0.000 1.048 251 K CA 1.941 57.582 56.287 -1.077 0.000 0.930 251 K CB 0.045 32.346 32.500 -0.332 0.000 0.716 251 K HN 0.429 nan 8.250 nan 0.000 0.444 252 E N 0.716 120.695 120.200 -0.368 0.000 2.031 252 E HA -0.192 4.158 4.350 0.001 0.000 0.193 252 E C 2.027 178.502 176.600 -0.209 0.000 0.994 252 E CA 1.543 57.810 56.400 -0.222 0.000 0.800 252 E CB -0.104 29.515 29.700 -0.136 0.000 0.752 252 E HN 0.397 nan 8.360 nan 0.000 0.447 253 Q N -0.240 119.417 119.800 -0.239 0.000 2.172 253 Q HA -0.046 4.294 4.340 0.001 0.000 0.200 253 Q C 2.024 177.944 176.000 -0.133 0.000 0.964 253 Q CA 1.528 57.240 55.803 -0.152 0.000 0.855 253 Q CB -0.076 28.574 28.738 -0.147 0.000 0.918 253 Q HN 0.230 nan 8.270 nan 0.000 0.444 254 T N 1.026 115.393 114.554 -0.311 0.000 2.737 254 T HA -0.132 4.218 4.350 0.001 0.000 0.265 254 T C 1.801 176.440 174.700 -0.102 0.000 1.038 254 T CA 0.885 62.859 62.100 -0.210 0.000 1.144 254 T CB -0.100 68.461 68.868 -0.512 0.000 0.866 254 T HN 0.217 nan 8.240 nan 0.000 0.434 255 Q N 0.665 120.359 119.800 -0.176 0.000 2.135 255 Q HA -0.050 4.291 4.340 0.001 0.000 0.204 255 Q C 2.697 178.679 176.000 -0.031 0.000 0.981 255 Q CA 1.473 57.221 55.803 -0.091 0.000 0.856 255 Q CB -0.469 28.207 28.738 -0.103 0.000 0.902 255 Q HN 0.577 nan 8.270 nan 0.000 0.425 256 A N 1.103 123.915 122.820 -0.014 0.000 1.855 256 A HA -0.080 4.240 4.320 0.001 0.000 0.215 256 A C 2.359 180.007 177.584 0.105 0.000 1.191 256 A CA 1.845 53.906 52.037 0.041 0.000 0.613 256 A CB -0.742 18.286 19.000 0.046 0.000 0.829 256 A HN 0.375 nan 8.150 nan 0.000 0.442 257 A N -0.570 122.352 122.820 0.171 0.000 1.902 257 A HA -0.024 4.297 4.320 0.001 0.000 0.217 257 A C 2.232 179.746 177.584 -0.116 0.000 1.181 257 A CA 1.856 54.032 52.037 0.232 0.000 0.623 257 A CB -1.017 18.253 19.000 0.450 0.000 0.818 257 A HN 0.412 nan 8.150 nan 0.000 0.443 258 V N -0.439 119.442 119.914 -0.056 0.000 2.332 258 V HA -0.231 3.890 4.120 0.001 0.000 0.248 258 V C 2.809 178.857 176.094 -0.076 0.000 1.055 258 V CA 2.340 64.586 62.300 -0.090 0.000 1.038 258 V CB -0.798 31.009 31.823 -0.027 0.000 0.651 258 V HN 0.663 nan 8.190 nan 0.000 0.450 259 S N -0.575 115.108 115.700 -0.028 0.000 2.368 259 S HA -0.139 4.332 4.470 0.001 0.000 0.225 259 S C 1.907 176.507 174.600 -0.000 0.000 1.030 259 S CA 1.650 59.846 58.200 -0.007 0.000 0.999 259 S CB -0.278 62.928 63.200 0.011 0.000 0.844 259 S HN 0.505 nan 8.310 nan 0.000 0.459 260 L N 0.722 121.956 121.223 0.018 0.000 2.027 260 L HA -0.021 4.319 4.340 0.001 0.000 0.206 260 L C 2.353 179.201 176.870 -0.036 0.000 1.074 260 L CA 1.000 55.879 54.840 0.066 0.000 0.745 260 L CB -0.486 41.746 42.059 0.288 0.000 0.898 260 L HN 0.310 nan 8.230 nan 0.000 0.433 261 L N -0.360 120.712 121.223 -0.251 0.000 2.265 261 L HA -0.205 4.136 4.340 0.001 0.000 0.215 261 L C 2.466 179.339 176.870 0.004 0.000 1.117 261 L CA 0.749 55.425 54.840 -0.274 0.000 0.782 261 L CB -0.309 41.468 42.059 -0.470 0.000 0.914 261 L HN 0.255 nan 8.230 nan 0.000 0.441 262 E N 0.657 120.852 120.200 -0.009 0.000 2.152 262 E HA -0.165 4.185 4.350 0.001 0.000 0.192 262 E C 1.693 178.329 176.600 0.060 0.000 0.983 262 E CA 1.219 57.636 56.400 0.029 0.000 0.818 262 E CB 0.197 29.899 29.700 0.003 0.000 0.758 262 E HN 0.321 nan 8.360 nan 0.000 0.467 263 K N -0.457 119.974 120.400 0.051 0.000 2.358 263 K HA 0.351 4.672 4.320 0.001 0.000 0.197 263 K C 0.192 176.832 176.600 0.066 0.000 1.025 263 K CA 0.128 56.447 56.287 0.054 0.000 1.104 263 K CB 1.104 33.626 32.500 0.037 0.000 0.855 263 K HN 0.040 nan 8.250 nan 0.000 0.531 264 A N 1.679 124.541 122.820 0.069 0.000 2.296 264 A HA 0.354 4.675 4.320 0.001 0.000 0.264 264 A C -0.323 177.309 177.584 0.079 0.000 1.097 264 A CA -0.247 51.797 52.037 0.012 0.000 0.811 264 A CB 0.353 19.276 19.000 -0.128 0.000 1.072 264 A HN 0.201 nan 8.150 nan 0.000 0.495 265 R N -0.304 120.203 120.500 0.013 0.000 2.338 265 R HA 0.485 4.826 4.340 0.001 0.000 0.317 265 R C -1.891 174.430 176.300 0.035 0.000 0.968 265 R CA -0.161 55.997 56.100 0.097 0.000 0.849 265 R CB 0.498 30.828 30.300 0.051 0.000 1.128 265 R HN 0.637 nan 8.270 nan 0.000 0.448 266 Y N 2.175 122.476 120.300 0.002 0.000 2.326 266 Y HA 0.373 4.923 4.550 0.001 0.000 0.337 266 Y C 0.134 176.037 175.900 0.005 0.000 1.023 266 Y CA -0.392 57.709 58.100 0.002 0.000 1.143 266 Y CB 1.805 40.261 38.460 -0.006 0.000 1.183 266 Y HN 0.621 nan 8.280 nan 0.000 0.485 267 S N 0.777 116.538 115.700 0.102 0.000 2.540 267 S HA 0.612 5.082 4.470 0.001 0.000 0.275 267 S C -1.291 173.340 174.600 0.052 0.000 1.123 267 S CA -1.031 57.210 58.200 0.069 0.000 0.907 267 S CB 1.215 64.438 63.200 0.038 0.000 1.081 267 S HN 0.272 nan 8.310 nan 0.000 0.476 268 V N 4.298 124.241 119.914 0.048 0.000 2.403 268 V HA 0.107 4.227 4.120 0.001 0.000 0.265 268 V C 1.220 177.328 176.094 0.023 0.000 1.034 268 V CA 0.033 62.355 62.300 0.038 0.000 1.036 268 V CB -0.406 31.437 31.823 0.034 0.000 1.032 268 V HN 0.918 nan 8.190 nan 0.000 0.478 269 L N 3.099 124.332 121.223 0.017 0.000 2.240 269 L HA 0.224 4.564 4.340 0.001 0.000 0.211 269 L C 1.073 177.946 176.870 0.005 0.000 1.106 269 L CA 1.074 55.917 54.840 0.005 0.000 0.793 269 L CB 0.146 42.203 42.059 -0.004 0.000 0.927 269 L HN 0.696 nan 8.230 nan 0.000 0.446 270 E N -0.472 119.735 120.200 0.011 0.000 2.378 270 E HA 0.212 4.562 4.350 0.001 0.000 0.283 270 E C -1.212 175.397 176.600 0.016 0.000 0.979 270 E CA -0.600 55.806 56.400 0.010 0.000 0.795 270 E CB 1.858 31.560 29.700 0.003 0.000 1.221 270 E HN -0.080 nan 8.360 nan 0.000 0.428 271 R N 3.577 124.086 120.500 0.015 0.000 2.407 271 R HA 0.193 4.534 4.340 0.001 0.000 0.298 271 R C -1.086 175.224 176.300 0.017 0.000 1.166 271 R CA -0.338 55.773 56.100 0.018 0.000 1.006 271 R CB 1.117 31.428 30.300 0.019 0.000 1.145 271 R HN 0.518 nan 8.270 nan 0.000 0.538 272 E N 3.729 123.940 120.200 0.018 0.000 2.130 272 E HA 0.079 4.429 4.350 0.001 0.000 0.284 272 E C -1.107 175.506 176.600 0.020 0.000 1.018 272 E CA -0.367 56.043 56.400 0.017 0.000 0.817 272 E CB 0.883 30.593 29.700 0.016 0.000 1.078 272 E HN 0.499 nan 8.360 nan 0.000 0.396 273 D N 5.384 125.796 120.400 0.020 0.000 2.414 273 D HA 0.185 4.825 4.640 0.001 0.000 0.232 273 D C -0.661 175.654 176.300 0.025 0.000 1.070 273 D CA -0.347 53.668 54.000 0.024 0.000 0.839 273 D CB 1.256 42.070 40.800 0.023 0.000 1.079 273 D HN 0.418 nan 8.370 nan 0.000 0.521 274 K N 0.962 121.380 120.400 0.031 0.000 2.397 274 K HA 0.641 4.961 4.320 0.001 0.000 0.253 274 K C -3.151 173.477 176.600 0.046 0.000 0.932 274 K CA -2.029 54.278 56.287 0.032 0.000 0.795 274 K CB 2.429 34.946 32.500 0.028 0.000 1.159 274 K HN -0.123 nan 8.250 nan 0.000 0.424 275 P HA 0.068 nan 4.420 nan 0.000 0.276 275 P C -0.892 176.456 177.300 0.080 0.000 1.243 275 P CA -0.044 63.094 63.100 0.064 0.000 0.768 275 P CB 0.992 32.720 31.700 0.046 0.000 0.856 276 T N -0.444 114.185 114.554 0.124 0.000 2.912 276 T HA 0.783 5.133 4.350 0.001 0.000 0.288 276 T C -0.249 174.584 174.700 0.222 0.000 1.030 276 T CA -0.693 61.487 62.100 0.134 0.000 1.020 276 T CB 1.395 70.317 68.868 0.092 0.000 1.056 276 T HN 0.368 nan 8.240 nan 0.000 0.480 277 T N -1.666 113.005 114.554 0.195 0.000 2.907 277 T HA 0.724 5.074 4.350 0.001 0.000 0.292 277 T C -0.575 174.285 174.700 0.267 0.000 1.043 277 T CA -0.872 61.374 62.100 0.243 0.000 1.003 277 T CB 1.789 70.753 68.868 0.159 0.000 1.084 277 T HN 0.788 nan 8.240 nan 0.000 0.483 278 S N 0.586 116.505 115.700 0.365 0.000 2.519 278 S HA 0.574 5.045 4.470 0.001 0.000 0.309 278 S C -0.871 173.996 174.600 0.445 0.000 1.100 278 S CA -0.822 57.622 58.200 0.408 0.000 1.059 278 S CB 0.702 64.254 63.200 0.588 0.000 1.008 278 S HN 0.741 nan 8.310 nan 0.000 0.478 279 K N 4.151 124.679 120.400 0.214 0.000 2.123 279 K HA 0.583 4.904 4.320 0.001 0.000 0.259 279 K C -2.345 173.983 176.600 -0.452 0.000 0.960 279 K CA -2.285 54.001 56.287 -0.001 0.000 0.872 279 K CB 1.100 33.588 32.500 -0.021 0.000 1.079 279 K HN 0.462 nan 8.250 nan 0.000 0.440 280 P HA 0.056 nan 4.420 nan 0.000 0.274 280 P C -0.221 176.636 177.300 -0.737 0.000 1.237 280 P CA -0.393 61.774 63.100 -1.556 0.000 0.793 280 P CB 0.778 31.776 31.700 -1.169 0.000 0.977 281 G N 0.613 108.970 108.800 -0.738 0.000 2.634 281 G HA2 0.427 4.387 3.960 0.001 0.000 0.255 281 G HA3 0.427 4.387 3.960 0.001 0.000 0.255 281 G C -0.072 174.468 174.900 -0.600 0.000 1.205 281 G CA -0.257 44.557 45.100 -0.477 0.000 0.884 281 G HN 0.695 nan 8.290 nan 0.000 0.549 282 A N 1.392 123.819 122.820 -0.655 0.000 2.366 282 A HA 0.608 4.928 4.320 0.001 0.000 0.249 282 A C -1.510 175.610 177.584 -0.774 0.000 1.084 282 A CA -0.948 50.399 52.037 -1.150 0.000 0.794 282 A CB 0.094 18.649 19.000 -0.741 0.000 1.034 282 A HN 0.597 nan 8.150 nan 0.000 0.491 283 P HA 0.124 nan 4.420 nan 0.000 0.270 283 P C -0.575 176.548 177.300 -0.295 0.000 1.223 283 P CA 0.058 62.908 63.100 -0.416 0.000 0.785 283 P CB 0.205 31.817 31.700 -0.148 0.000 0.923 284 F N 1.131 121.005 119.950 -0.127 0.000 2.539 284 F HA 0.186 4.713 4.527 0.001 0.000 0.340 284 F C 1.318 177.065 175.800 -0.089 0.000 1.185 284 F CA 0.250 58.184 58.000 -0.109 0.000 1.333 284 F CB -0.297 38.650 39.000 -0.089 0.000 1.152 284 F HN 0.217 nan 8.300 nan 0.000 0.602 285 I N -3.083 117.588 120.570 0.167 0.000 3.174 285 I HA 0.444 4.614 4.170 0.001 0.000 0.313 285 I C 0.684 176.804 176.117 0.004 0.000 1.155 285 I CA -0.879 60.455 61.300 0.056 0.000 0.977 285 I CB 1.670 39.693 38.000 0.038 0.000 1.248 285 I HN 0.457 nan 8.210 nan 0.000 0.453 286 T N 1.345 115.891 114.554 -0.013 0.000 2.592 286 T HA -0.247 4.103 4.350 0.001 0.000 0.267 286 T C 1.877 176.508 174.700 -0.114 0.000 1.060 286 T CA 2.797 64.875 62.100 -0.036 0.000 1.167 286 T CB -0.647 68.254 68.868 0.053 0.000 0.863 286 T HN 0.878 nan 8.240 nan 0.000 0.431 287 S N 1.722 117.310 115.700 -0.185 0.000 2.368 287 S HA -0.163 4.308 4.470 0.001 0.000 0.224 287 S C 2.316 176.759 174.600 -0.263 0.000 1.029 287 S CA 1.772 59.709 58.200 -0.437 0.000 0.988 287 S CB -1.253 61.516 63.200 -0.719 0.000 0.838 287 S HN 0.752 nan 8.310 nan 0.000 0.462 288 T N 0.540 115.011 114.554 -0.138 0.000 2.867 288 T HA 0.062 4.412 4.350 0.001 0.000 0.268 288 T C 1.724 176.273 174.700 -0.251 0.000 1.057 288 T CA 1.006 63.071 62.100 -0.059 0.000 1.136 288 T CB -0.712 68.248 68.868 0.153 0.000 0.874 288 T HN 0.271 nan 8.240 nan 0.000 0.466 289 L N 1.178 122.149 121.223 -0.420 0.000 2.046 289 L HA -0.009 4.332 4.340 0.001 0.000 0.208 289 L C 2.686 179.277 176.870 -0.465 0.000 1.077 289 L CA 1.711 56.070 54.840 -0.802 0.000 0.747 289 L CB -0.804 40.945 42.059 -0.516 0.000 0.896 289 L HN 0.273 nan 8.230 nan 0.000 0.432 290 Q N -1.144 118.492 119.800 -0.273 0.000 2.119 290 Q HA -0.226 4.114 4.340 0.001 0.000 0.201 290 Q C 2.214 178.130 176.000 -0.141 0.000 0.972 290 Q CA 1.800 57.504 55.803 -0.165 0.000 0.847 290 Q CB -0.162 28.496 28.738 -0.133 0.000 0.903 290 Q HN 0.665 nan 8.270 nan 0.000 0.433 291 Q N 0.145 119.849 119.800 -0.160 0.000 2.020 291 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 291 Q C 2.146 178.097 176.000 -0.081 0.000 0.982 291 Q CA 1.447 57.192 55.803 -0.097 0.000 0.838 291 Q CB -0.216 28.472 28.738 -0.084 0.000 0.899 291 Q HN 0.364 nan 8.270 nan 0.000 0.423 292 A N 0.948 123.694 122.820 -0.123 0.000 1.930 292 A HA -0.047 4.273 4.320 0.001 0.000 0.217 292 A C 2.281 179.785 177.584 -0.132 0.000 1.175 292 A CA 1.416 53.406 52.037 -0.079 0.000 0.627 292 A CB -0.710 18.290 19.000 0.001 0.000 0.815 292 A HN 0.391 nan 8.150 nan 0.000 0.443 293 A N -0.742 121.950 122.820 -0.213 0.000 1.933 293 A HA -0.101 4.220 4.320 0.001 0.000 0.218 293 A C 2.470 179.982 177.584 -0.121 0.000 1.175 293 A CA 2.171 54.085 52.037 -0.205 0.000 0.628 293 A CB -0.805 18.112 19.000 -0.139 0.000 0.814 293 A HN 0.557 nan 8.150 nan 0.000 0.444 294 S N -1.339 114.336 115.700 -0.041 0.000 2.357 294 S HA -0.104 4.367 4.470 0.001 0.000 0.221 294 S C 2.074 176.677 174.600 0.006 0.000 1.031 294 S CA 2.039 60.252 58.200 0.021 0.000 0.982 294 S CB -0.486 62.738 63.200 0.040 0.000 0.853 294 S HN 0.585 nan 8.310 nan 0.000 0.458 295 T N 2.325 116.874 114.554 -0.009 0.000 2.770 295 T HA 0.070 4.420 4.350 0.001 0.000 0.263 295 T C 1.950 176.643 174.700 -0.012 0.000 1.039 295 T CA 0.838 62.940 62.100 0.003 0.000 1.142 295 T CB -0.117 68.758 68.868 0.012 0.000 0.868 295 T HN 0.246 nan 8.240 nan 0.000 0.435 296 R N 0.884 121.362 120.500 -0.036 0.000 2.161 296 R HA 0.282 4.623 4.340 0.001 0.000 0.213 296 R C 1.837 178.074 176.300 -0.105 0.000 1.055 296 R CA 0.591 56.664 56.100 -0.045 0.000 0.996 296 R CB -0.661 29.626 30.300 -0.022 0.000 0.901 296 R HN 0.384 nan 8.270 nan 0.000 0.456 297 L N -0.875 120.227 121.223 -0.201 0.000 2.766 297 L HA 0.326 4.667 4.340 0.001 0.000 0.242 297 L C 0.774 177.553 176.870 -0.152 0.000 1.136 297 L CA 0.280 54.905 54.840 -0.357 0.000 0.933 297 L CB 0.354 41.829 42.059 -0.974 0.000 1.241 297 L HN 0.305 nan 8.230 nan 0.000 0.522 298 G N 0.512 109.305 108.800 -0.012 0.000 2.187 298 G HA2 -0.307 3.653 3.960 0.001 0.000 0.261 298 G HA3 -0.307 3.653 3.960 0.001 0.000 0.261 298 G C 0.069 175.140 174.900 0.284 0.000 1.000 298 G CA -0.067 45.102 45.100 0.114 0.000 0.718 298 G HN 0.133 nan 8.290 nan 0.000 0.519 299 F N 1.358 121.307 119.950 -0.001 0.000 2.412 299 F HA 0.567 5.094 4.527 0.001 0.000 0.348 299 F C 1.337 177.134 175.800 -0.005 0.000 1.102 299 F CA -0.917 57.080 58.000 -0.005 0.000 1.196 299 F CB 0.804 39.797 39.000 -0.012 0.000 1.144 299 F HN 0.179 nan 8.300 nan 0.000 0.541 300 G N 2.036 110.923 108.800 0.145 0.000 2.503 300 G HA2 0.324 4.285 3.960 0.001 0.000 0.257 300 G HA3 0.324 4.285 3.960 0.001 0.000 0.257 300 G C 0.906 175.853 174.900 0.079 0.000 1.214 300 G CA -0.620 44.530 45.100 0.084 0.000 0.839 300 G HN 0.575 nan 8.290 nan 0.000 0.559 301 V N 1.306 121.263 119.914 0.071 0.000 2.250 301 V HA -0.257 3.863 4.120 0.001 0.000 0.250 301 V C 2.967 179.084 176.094 0.038 0.000 1.060 301 V CA 2.812 65.144 62.300 0.054 0.000 1.030 301 V CB -0.440 31.422 31.823 0.065 0.000 0.643 301 V HN 0.888 nan 8.190 nan 0.000 0.445 302 K N -0.134 120.284 120.400 0.030 0.000 2.097 302 K HA -0.233 4.088 4.320 0.001 0.000 0.206 302 K C 2.239 178.835 176.600 -0.006 0.000 1.049 302 K CA 1.936 58.231 56.287 0.013 0.000 0.933 302 K CB -0.268 32.237 32.500 0.008 0.000 0.717 302 K HN 0.421 nan 8.250 nan 0.000 0.442 303 K N -0.380 120.004 120.400 -0.026 0.000 2.057 303 K HA -0.117 4.203 4.320 0.001 0.000 0.207 303 K C 1.741 178.318 176.600 -0.039 0.000 1.049 303 K CA 1.880 58.115 56.287 -0.086 0.000 0.931 303 K CB -0.112 32.270 32.500 -0.195 0.000 0.714 303 K HN 0.142 nan 8.250 nan 0.000 0.440 304 T N 1.527 116.109 114.554 0.047 0.000 2.652 304 T HA -0.157 4.193 4.350 0.001 0.000 0.267 304 T C 1.758 176.487 174.700 0.049 0.000 1.039 304 T CA 1.534 63.698 62.100 0.108 0.000 1.153 304 T CB -0.079 68.843 68.868 0.090 0.000 0.863 304 T HN 0.182 nan 8.240 nan 0.000 0.428 305 M N 0.491 120.102 119.600 0.018 0.000 2.296 305 M HA 0.113 4.593 4.480 0.001 0.000 0.265 305 M C 2.222 178.531 176.300 0.015 0.000 1.064 305 M CA 1.126 56.427 55.300 0.002 0.000 1.109 305 M CB -1.170 31.426 32.600 -0.007 0.000 1.396 305 M HN 0.327 nan 8.290 nan 0.000 0.430 306 M N -0.507 119.101 119.600 0.014 0.000 2.156 306 M HA -0.170 4.310 4.480 0.001 0.000 0.264 306 M C 1.863 178.186 176.300 0.038 0.000 1.067 306 M CA 1.341 56.652 55.300 0.018 0.000 1.131 306 M CB 0.040 32.636 32.600 -0.007 0.000 1.368 306 M HN 0.084 nan 8.290 nan 0.000 0.416 307 M N 0.428 120.051 119.600 0.037 0.000 2.132 307 M HA -0.069 4.411 4.480 0.001 0.000 0.263 307 M C 2.493 178.864 176.300 0.118 0.000 1.065 307 M CA 1.753 57.098 55.300 0.076 0.000 1.122 307 M CB -1.754 30.906 32.600 0.100 0.000 1.365 307 M HN 0.462 nan 8.290 nan 0.000 0.411 308 A N 0.030 122.912 122.820 0.103 0.000 1.892 308 A HA -0.264 4.056 4.320 0.001 0.000 0.218 308 A C 2.155 179.823 177.584 0.141 0.000 1.188 308 A CA 2.242 54.342 52.037 0.105 0.000 0.631 308 A CB -0.947 18.073 19.000 0.034 0.000 0.822 308 A HN 0.640 nan 8.150 nan 0.000 0.447 309 Q N -1.211 118.658 119.800 0.116 0.000 2.119 309 Q HA -0.198 4.143 4.340 0.001 0.000 0.201 309 Q C 2.215 178.344 176.000 0.215 0.000 0.972 309 Q CA 1.583 57.497 55.803 0.185 0.000 0.847 309 Q CB -0.080 28.735 28.738 0.128 0.000 0.903 309 Q HN 0.482 nan 8.270 nan 0.000 0.433 310 R N 0.256 120.846 120.500 0.150 0.000 2.073 310 R HA -0.063 4.277 4.340 0.001 0.000 0.234 310 R C 2.129 178.524 176.300 0.158 0.000 1.134 310 R CA 1.520 57.697 56.100 0.127 0.000 0.952 310 R CB -0.511 29.850 30.300 0.102 0.000 0.850 310 R HN 0.356 nan 8.270 nan 0.000 0.433 311 L N -0.956 120.398 121.223 0.218 0.000 2.017 311 L HA -0.208 4.132 4.340 0.001 0.000 0.208 311 L C 2.242 179.270 176.870 0.263 0.000 1.073 311 L CA 1.631 56.653 54.840 0.304 0.000 0.745 311 L CB -0.669 41.596 42.059 0.343 0.000 0.894 311 L HN 0.277 nan 8.230 nan 0.000 0.432 312 Y N 1.156 121.547 120.300 0.151 0.000 2.181 312 Y HA -0.234 4.317 4.550 0.001 0.000 0.288 312 Y C 2.378 178.344 175.900 0.110 0.000 1.146 312 Y CA 1.592 59.776 58.100 0.140 0.000 1.164 312 Y CB -0.263 38.281 38.460 0.140 0.000 0.982 312 Y HN 0.183 nan 8.280 nan 0.000 0.515 313 E N -0.054 120.014 120.200 -0.221 0.000 2.268 313 E HA -0.070 4.281 4.350 0.001 0.000 0.195 313 E C 1.856 178.300 176.600 -0.259 0.000 0.995 313 E CA 0.651 56.859 56.400 -0.319 0.000 0.836 313 E CB -0.162 29.510 29.700 -0.047 0.000 0.763 313 E HN 0.559 nan 8.360 nan 0.000 0.491 314 A N 0.337 123.028 122.820 -0.215 0.000 2.251 314 A HA 0.305 4.626 4.320 0.001 0.000 0.209 314 A C 1.590 178.852 177.584 -0.536 0.000 1.187 314 A CA 0.625 52.461 52.037 -0.334 0.000 0.823 314 A CB -0.162 18.660 19.000 -0.296 0.000 0.846 314 A HN 0.279 nan 8.150 nan 0.000 0.486 315 G N -2.034 106.546 108.800 -0.366 0.000 2.143 315 G HA2 -0.333 3.627 3.960 0.001 0.000 0.248 315 G HA3 -0.333 3.627 3.960 0.001 0.000 0.248 315 G C 0.430 175.235 174.900 -0.158 0.000 0.991 315 G CA 0.741 45.684 45.100 -0.262 0.000 0.689 315 G HN 0.478 nan 8.290 nan 0.000 0.522 316 Y N -0.136 120.213 120.300 0.082 0.000 2.503 316 Y HA 0.427 4.977 4.550 0.001 0.000 0.278 316 Y C 1.881 177.946 175.900 0.276 0.000 1.111 316 Y CA 0.479 58.676 58.100 0.162 0.000 1.270 316 Y CB 0.182 38.708 38.460 0.110 0.000 1.063 316 Y HN 0.669 nan 8.280 nan 0.000 0.548 317 I N -3.555 117.236 120.570 0.368 0.000 3.174 317 I HA 0.598 4.768 4.170 0.001 0.000 0.313 317 I C -0.061 176.230 176.117 0.290 0.000 1.155 317 I CA -1.338 60.135 61.300 0.288 0.000 0.977 317 I CB 1.911 40.073 38.000 0.271 0.000 1.248 317 I HN -0.145 nan 8.210 nan 0.000 0.453 318 T N -0.631 114.041 114.554 0.196 0.000 2.828 318 T HA 0.265 4.615 4.350 0.001 0.000 0.290 318 T C -0.136 174.707 174.700 0.238 0.000 1.019 318 T CA -0.138 62.099 62.100 0.228 0.000 1.031 318 T CB 0.506 69.435 68.868 0.101 0.000 1.001 318 T HN 0.518 nan 8.240 nan 0.000 0.531 319 Y N 2.994 123.300 120.300 0.009 0.000 2.987 319 Y HA 0.000 4.550 4.550 0.001 0.000 0.339 319 Y C 1.643 177.415 175.900 -0.214 0.000 1.272 319 Y CA -0.650 57.232 58.100 -0.363 0.000 1.562 319 Y CB 0.396 38.661 38.460 -0.325 0.000 1.253 319 Y HN 0.669 nan 8.280 nan 0.000 0.604 320 M N 4.499 123.614 119.600 -0.808 0.000 2.495 320 M HA 0.242 4.722 4.480 0.001 0.000 0.237 320 M C -0.527 175.458 176.300 -0.526 0.000 1.131 320 M CA 0.990 55.992 55.300 -0.496 0.000 1.032 320 M CB -0.360 32.060 32.600 -0.300 0.000 1.513 320 M HN 0.555 nan 8.290 nan 0.000 0.488 321 R N 1.135 121.122 120.500 -0.855 0.000 2.287 321 R HA 0.552 4.893 4.340 0.001 0.000 0.316 321 R C -0.754 175.471 176.300 -0.126 0.000 1.050 321 R CA -0.018 55.840 56.100 -0.404 0.000 0.983 321 R CB 1.085 31.175 30.300 -0.350 0.000 1.140 321 R HN 0.243 nan 8.270 nan 0.000 0.528 322 T N 0.276 114.794 114.554 -0.060 0.000 2.840 322 T HA 0.172 4.523 4.350 0.001 0.000 0.317 322 T C -1.230 173.486 174.700 0.026 0.000 1.401 322 T CA -0.720 61.383 62.100 0.006 0.000 1.028 322 T CB 1.375 70.254 68.868 0.018 0.000 1.317 322 T HN 0.619 nan 8.240 nan 0.000 0.495 323 D N 0.594 121.016 120.400 0.036 0.000 2.599 323 D HA 0.279 4.919 4.640 0.001 0.000 0.249 323 D C -0.002 176.324 176.300 0.043 0.000 1.313 323 D CA -0.293 53.736 54.000 0.048 0.000 0.815 323 D CB 0.357 41.191 40.800 0.057 0.000 1.077 323 D HN 0.293 nan 8.370 nan 0.000 0.492 324 S N 0.204 115.931 115.700 0.045 0.000 2.429 324 S HA 0.376 4.847 4.470 0.001 0.000 0.302 324 S C 0.954 175.583 174.600 0.048 0.000 1.115 324 S CA -0.345 57.889 58.200 0.056 0.000 1.095 324 S CB 0.886 64.131 63.200 0.076 0.000 0.987 324 S HN 0.240 nan 8.310 nan 0.000 0.474 325 T N 1.674 116.257 114.554 0.048 0.000 3.188 325 T HA 0.179 4.529 4.350 0.001 0.000 0.250 325 T C 0.473 175.217 174.700 0.074 0.000 1.077 325 T CA -0.402 61.715 62.100 0.029 0.000 0.967 325 T CB -0.664 68.209 68.868 0.007 0.000 1.006 325 T HN 0.580 nan 8.240 nan 0.000 0.552 326 N N 1.020 119.772 118.700 0.085 0.000 2.482 326 N HA 0.382 5.123 4.740 0.001 0.000 0.260 326 N C -0.910 174.660 175.510 0.101 0.000 1.236 326 N CA -0.350 52.760 53.050 0.099 0.000 0.938 326 N CB 0.369 38.906 38.487 0.083 0.000 1.128 326 N HN 0.314 nan 8.380 nan 0.000 0.448 327 L N 1.537 122.830 121.223 0.116 0.000 2.385 327 L HA 0.389 4.729 4.340 0.001 0.000 0.273 327 L C 0.108 177.043 176.870 0.107 0.000 0.990 327 L CA -1.058 53.860 54.840 0.130 0.000 0.821 327 L CB 1.826 44.006 42.059 0.201 0.000 1.279 327 L HN 0.691 nan 8.230 nan 0.000 0.412 328 S N 1.333 117.091 115.700 0.096 0.000 2.576 328 S HA 0.055 4.525 4.470 0.001 0.000 0.272 328 S C 0.783 175.432 174.600 0.083 0.000 1.352 328 S CA -0.402 57.845 58.200 0.078 0.000 1.021 328 S CB 1.231 64.475 63.200 0.072 0.000 0.887 328 S HN 0.649 nan 8.310 nan 0.000 0.542 329 Q N 0.904 120.740 119.800 0.061 0.000 2.124 329 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 329 Q C 1.527 177.568 176.000 0.068 0.000 0.977 329 Q CA 1.791 57.628 55.803 0.057 0.000 0.850 329 Q CB -0.547 28.214 28.738 0.038 0.000 0.901 329 Q HN 0.785 nan 8.270 nan 0.000 0.429 330 D N 0.040 120.481 120.400 0.069 0.000 2.117 330 D HA -0.113 4.528 4.640 0.001 0.000 0.197 330 D C 1.701 178.067 176.300 0.110 0.000 0.987 330 D CA 1.297 55.343 54.000 0.077 0.000 0.829 330 D CB 0.007 40.846 40.800 0.065 0.000 0.961 330 D HN 0.216 nan 8.370 nan 0.000 0.460 331 A N 0.894 123.795 122.820 0.134 0.000 1.902 331 A HA -0.130 4.190 4.320 0.001 0.000 0.217 331 A C 2.584 180.331 177.584 0.271 0.000 1.181 331 A CA 1.119 53.291 52.037 0.224 0.000 0.623 331 A CB -0.765 18.360 19.000 0.209 0.000 0.818 331 A HN 0.127 nan 8.150 nan 0.000 0.443 332 V N 1.152 121.175 119.914 0.181 0.000 2.295 332 V HA -0.277 3.843 4.120 0.001 0.000 0.246 332 V C 2.300 178.434 176.094 0.066 0.000 1.049 332 V CA 2.187 64.549 62.300 0.102 0.000 1.024 332 V CB -0.980 30.887 31.823 0.074 0.000 0.648 332 V HN 0.577 nan 8.190 nan 0.000 0.447 333 N N 0.529 119.275 118.700 0.077 0.000 2.120 333 N HA -0.204 4.537 4.740 0.001 0.000 0.188 333 N C 1.888 177.449 175.510 0.085 0.000 1.024 333 N CA 2.181 55.271 53.050 0.067 0.000 0.852 333 N CB -0.555 37.969 38.487 0.062 0.000 1.003 333 N HN 0.710 nan 8.380 nan 0.000 0.424 334 M N -0.254 119.416 119.600 0.116 0.000 2.132 334 M HA -0.023 4.457 4.480 0.001 0.000 0.263 334 M C 2.034 178.431 176.300 0.160 0.000 1.065 334 M CA 1.525 56.913 55.300 0.147 0.000 1.122 334 M CB -0.512 32.193 32.600 0.175 0.000 1.365 334 M HN -0.083 nan 8.290 nan 0.000 0.411 335 V N 0.874 120.851 119.914 0.105 0.000 2.548 335 V HA -0.160 3.960 4.120 0.001 0.000 0.249 335 V C 2.434 178.544 176.094 0.026 0.000 1.055 335 V CA 1.782 64.072 62.300 -0.018 0.000 1.065 335 V CB -0.541 30.988 31.823 -0.491 0.000 0.681 335 V HN 0.593 nan 8.190 nan 0.000 0.462 336 R N -0.032 120.477 120.500 0.016 0.000 2.096 336 R HA -0.061 4.279 4.340 0.001 0.000 0.235 336 R C 2.349 178.704 176.300 0.092 0.000 1.127 336 R CA 1.366 57.491 56.100 0.042 0.000 0.968 336 R CB -0.835 29.482 30.300 0.028 0.000 0.861 336 R HN 0.621 nan 8.270 nan 0.000 0.440 337 G N 0.025 108.887 108.800 0.104 0.000 2.421 337 G HA2 -0.329 3.632 3.960 0.001 0.000 0.216 337 G HA3 -0.329 3.632 3.960 0.001 0.000 0.216 337 G C 1.222 176.198 174.900 0.127 0.000 1.171 337 G CA 0.595 45.757 45.100 0.103 0.000 0.775 337 G HN 0.335 nan 8.290 nan 0.000 0.543 338 Y N 1.277 121.620 120.300 0.072 0.000 2.181 338 Y HA -0.065 4.486 4.550 0.001 0.000 0.288 338 Y C 2.574 178.544 175.900 0.117 0.000 1.146 338 Y CA 1.340 59.499 58.100 0.100 0.000 1.164 338 Y CB -0.142 38.397 38.460 0.131 0.000 0.982 338 Y HN 0.188 nan 8.280 nan 0.000 0.515 339 I N -0.894 119.872 120.570 0.327 0.000 2.286 339 I HA -0.336 3.834 4.170 0.001 0.000 0.248 339 I C 2.404 178.653 176.117 0.219 0.000 1.115 339 I CA 1.484 62.994 61.300 0.350 0.000 1.392 339 I CB -0.496 37.650 38.000 0.243 0.000 1.065 339 I HN 0.124 nan 8.210 nan 0.000 0.418 340 S N 0.477 116.249 115.700 0.120 0.000 2.348 340 S HA -0.179 4.291 4.470 0.001 0.000 0.221 340 S C 1.626 176.230 174.600 0.006 0.000 1.033 340 S CA 1.449 59.697 58.200 0.080 0.000 1.010 340 S CB -0.316 62.917 63.200 0.055 0.000 0.891 340 S HN 0.437 nan 8.310 nan 0.000 0.442 341 D N 1.586 121.943 120.400 -0.071 0.000 2.117 341 D HA -0.026 4.614 4.640 0.001 0.000 0.197 341 D C 1.450 177.601 176.300 -0.248 0.000 0.987 341 D CA 0.925 54.835 54.000 -0.150 0.000 0.829 341 D CB -0.381 40.304 40.800 -0.192 0.000 0.961 341 D HN 0.342 nan 8.370 nan 0.000 0.460 342 N N -1.015 117.442 118.700 -0.404 0.000 2.299 342 N HA 0.047 4.788 4.740 0.001 0.000 0.187 342 N C 0.621 175.609 175.510 -0.869 0.000 1.099 342 N CA 0.216 52.877 53.050 -0.648 0.000 0.867 342 N CB 0.546 38.479 38.487 -0.923 0.000 0.974 342 N HN 0.174 nan 8.380 nan 0.000 0.477 343 F N -0.201 119.677 119.950 -0.120 0.000 2.754 343 F HA 0.332 4.860 4.527 0.001 0.000 0.316 343 F C 1.357 177.152 175.800 -0.008 0.000 0.959 343 F CA 0.372 58.246 58.000 -0.210 0.000 1.148 343 F CB 0.458 39.231 39.000 -0.378 0.000 0.951 343 F HN -0.054 nan 8.300 nan 0.000 0.625 344 G N 0.816 109.750 108.800 0.223 0.000 2.655 344 G HA2 -0.157 3.803 3.960 0.001 0.000 0.680 344 G HA3 -0.157 3.803 3.960 0.001 0.000 0.680 344 G C 0.427 175.497 174.900 0.284 0.000 1.302 344 G CA -0.385 44.853 45.100 0.229 0.000 0.872 344 G HN -0.113 nan 8.290 nan 0.000 0.540 345 K N 0.741 121.249 120.400 0.179 0.000 2.015 345 K HA -0.159 4.161 4.320 0.001 0.000 0.216 345 K C 2.783 179.444 176.600 0.102 0.000 1.052 345 K CA 2.299 58.655 56.287 0.115 0.000 0.937 345 K CB -0.492 32.039 32.500 0.051 0.000 0.719 345 K HN 0.740 nan 8.250 nan 0.000 0.446 346 K N -0.042 120.394 120.400 0.060 0.000 2.442 346 K HA -0.172 4.148 4.320 0.001 0.000 0.199 346 K C 1.592 178.121 176.600 -0.119 0.000 1.044 346 K CA 1.391 57.581 56.287 -0.163 0.000 0.941 346 K CB -0.553 31.715 32.500 -0.387 0.000 0.759 346 K HN 0.300 nan 8.250 nan 0.000 0.472 347 Y N 0.178 120.620 120.300 0.237 0.000 2.449 347 Y HA 0.246 4.796 4.550 0.001 0.000 0.254 347 Y C 0.488 176.469 175.900 0.135 0.000 1.140 347 Y CA -0.717 57.528 58.100 0.242 0.000 1.272 347 Y CB 0.565 39.138 38.460 0.188 0.000 1.114 347 Y HN -0.077 nan 8.280 nan 0.000 0.525 348 L N 2.767 124.116 121.223 0.209 0.000 2.262 348 L HA 0.499 4.839 4.340 0.001 0.000 0.288 348 L C -2.579 174.332 176.870 0.067 0.000 1.035 348 L CA -2.756 52.161 54.840 0.129 0.000 0.820 348 L CB 0.492 42.621 42.059 0.117 0.000 1.204 348 L HN -0.193 nan 8.230 nan 0.000 0.424 349 P HA 0.046 nan 4.420 nan 0.000 0.269 349 P C 0.076 177.380 177.300 0.006 0.000 1.211 349 P CA -0.087 63.024 63.100 0.019 0.000 0.781 349 P CB 0.623 32.325 31.700 0.004 0.000 0.877 350 E N 0.066 120.262 120.200 -0.007 0.000 2.012 350 E HA -0.115 4.236 4.350 0.001 0.000 0.197 350 E C 0.651 177.245 176.600 -0.010 0.000 1.007 350 E CA 1.500 57.893 56.400 -0.011 0.000 0.816 350 E CB -0.906 28.784 29.700 -0.018 0.000 0.762 350 E HN 0.540 nan 8.360 nan 0.000 0.451 351 S N -0.030 115.658 115.700 -0.019 0.000 2.664 351 S HA 0.625 5.095 4.470 0.001 0.000 0.304 351 S C -2.677 171.904 174.600 -0.031 0.000 1.099 351 S CA -1.970 56.216 58.200 -0.023 0.000 1.003 351 S CB 1.633 64.815 63.200 -0.029 0.000 1.092 351 S HN -0.224 nan 8.310 nan 0.000 0.525 352 P HA 0.211 nan 4.420 nan 0.000 0.270 352 P C -0.916 176.337 177.300 -0.079 0.000 1.227 352 P CA -0.284 62.793 63.100 -0.038 0.000 0.788 352 P CB 0.206 31.893 31.700 -0.021 0.000 0.926 353 N N 1.683 120.324 118.700 -0.099 0.000 2.457 353 N HA 0.164 4.905 4.740 0.001 0.000 0.250 353 N C -0.265 175.041 175.510 -0.339 0.000 0.982 353 N CA -0.187 52.716 53.050 -0.244 0.000 0.941 353 N CB 0.297 38.651 38.487 -0.223 0.000 1.120 353 N HN 0.307 nan 8.380 nan 0.000 0.505 354 Q N 1.455 121.030 119.800 -0.374 0.000 2.230 354 Q HA 0.270 4.610 4.340 0.001 0.000 0.248 354 Q C -0.107 175.595 176.000 -0.498 0.000 0.915 354 Q CA -0.143 55.500 55.803 -0.267 0.000 0.900 354 Q CB 1.333 29.989 28.738 -0.136 0.000 1.229 354 Q HN 0.619 nan 8.270 nan 0.000 0.439 355 Y N -0.583 119.699 120.300 -0.030 0.000 2.701 355 Y HA 0.471 5.021 4.550 0.001 0.000 0.275 355 Y C 0.429 176.316 175.900 -0.021 0.000 1.133 355 Y CA 0.306 58.385 58.100 -0.035 0.000 1.241 355 Y CB 1.101 39.533 38.460 -0.046 0.000 1.389 355 Y HN 0.622 nan 8.280 nan 0.000 0.486 356 A N -0.189 122.713 122.820 0.137 0.000 2.601 356 A HA 0.583 4.903 4.320 0.001 0.000 0.291 356 A C -0.650 176.969 177.584 0.059 0.000 1.075 356 A CA -0.315 51.768 52.037 0.078 0.000 0.671 356 A CB 0.421 19.468 19.000 0.079 0.000 1.277 356 A HN 0.093 nan 8.150 nan 0.000 0.417 357 S N 0.172 115.894 115.700 0.038 0.000 2.645 357 S HA 0.348 4.818 4.470 0.001 0.000 0.266 357 S C 0.649 175.271 174.600 0.036 0.000 1.258 357 S CA -0.024 58.191 58.200 0.026 0.000 0.990 357 S CB 0.797 64.003 63.200 0.009 0.000 0.967 357 S HN 0.665 nan 8.310 nan 0.000 0.556 358 K N 0.087 120.497 120.400 0.017 0.000 2.280 358 K HA 0.026 4.346 4.320 0.001 0.000 0.202 358 K C 0.337 176.984 176.600 0.078 0.000 1.047 358 K CA 0.843 57.148 56.287 0.030 0.000 0.942 358 K CB -0.059 32.383 32.500 -0.097 0.000 0.739 358 K HN 0.613 nan 8.250 nan 0.000 0.457 359 E N 1.885 122.107 120.200 0.036 0.000 2.223 359 E HA 0.133 4.483 4.350 0.001 0.000 0.282 359 E C -0.483 176.151 176.600 0.056 0.000 1.046 359 E CA 0.103 56.535 56.400 0.053 0.000 0.857 359 E CB 0.739 30.449 29.700 0.017 0.000 1.055 359 E HN 0.186 nan 8.360 nan 0.000 0.409 360 N N 0.098 118.837 118.700 0.065 0.000 2.825 360 N HA 0.012 4.752 4.740 0.001 0.000 0.253 360 N C 0.677 176.201 175.510 0.024 0.000 1.426 360 N CA -0.219 52.855 53.050 0.041 0.000 0.851 360 N CB 1.276 39.791 38.487 0.046 0.000 1.470 360 N HN 0.334 nan 8.380 nan 0.000 0.517 361 S N -0.497 115.207 115.700 0.007 0.000 2.419 361 S HA -0.115 4.356 4.470 0.001 0.000 0.235 361 S C 0.680 175.265 174.600 -0.026 0.000 1.019 361 S CA 1.013 59.206 58.200 -0.012 0.000 0.982 361 S CB -0.011 63.176 63.200 -0.022 0.000 0.789 361 S HN 0.441 nan 8.310 nan 0.000 0.490 362 Q N 0.729 120.516 119.800 -0.023 0.000 2.169 362 Q HA 0.448 4.789 4.340 0.001 0.000 0.234 362 Q C 0.913 176.874 176.000 -0.066 0.000 0.980 362 Q CA -0.395 55.381 55.803 -0.045 0.000 0.941 362 Q CB 0.564 29.280 28.738 -0.036 0.000 1.199 362 Q HN 0.241 nan 8.270 nan 0.000 0.496 363 E N 0.654 120.788 120.200 -0.111 0.000 2.107 363 E HA 0.027 4.377 4.350 0.001 0.000 0.191 363 E C 0.076 176.457 176.600 -0.366 0.000 0.982 363 E CA 0.809 57.081 56.400 -0.213 0.000 0.809 363 E CB -0.162 29.410 29.700 -0.213 0.000 0.756 363 E HN 0.604 nan 8.360 nan 0.000 0.459 364 A N 1.176 123.876 122.820 -0.200 0.000 2.520 364 A HA 0.014 4.334 4.320 0.001 0.000 0.245 364 A C 0.113 177.611 177.584 -0.143 0.000 1.072 364 A CA 0.025 51.963 52.037 -0.165 0.000 0.761 364 A CB 0.060 19.079 19.000 0.032 0.000 1.004 364 A HN 0.260 nan 8.150 nan 0.000 0.499 365 H N 0.962 120.041 119.070 0.016 0.000 2.592 365 H HA 0.229 4.785 4.556 0.001 0.000 0.265 365 H C 0.349 175.694 175.328 0.028 0.000 0.955 365 H CA 0.497 56.555 56.048 0.016 0.000 1.175 365 H CB 0.566 30.332 29.762 0.008 0.000 1.433 365 H HN 0.784 nan 8.280 nan 0.000 0.537 366 E N -0.146 120.134 120.200 0.134 0.000 2.320 366 E HA 0.627 4.978 4.350 0.001 0.000 0.264 366 E C -0.508 176.129 176.600 0.061 0.000 0.923 366 E CA -0.888 55.568 56.400 0.094 0.000 0.796 366 E CB 2.865 32.614 29.700 0.082 0.000 1.262 366 E HN 0.170 nan 8.360 nan 0.000 0.428 367 A N 1.367 124.211 122.820 0.041 0.000 2.249 367 A HA 0.405 4.725 4.320 0.001 0.000 0.281 367 A C -0.043 177.541 177.584 -0.000 0.000 1.127 367 A CA -0.321 51.728 52.037 0.021 0.000 0.833 367 A CB 0.170 19.173 19.000 0.005 0.000 1.140 367 A HN 0.545 nan 8.150 nan 0.000 0.502 368 I N 0.880 121.458 120.570 0.013 0.000 2.337 368 I HA 0.368 4.538 4.170 0.001 0.000 0.291 368 I C 0.567 176.650 176.117 -0.057 0.000 1.046 368 I CA 0.145 61.449 61.300 0.007 0.000 1.324 368 I CB 0.106 38.135 38.000 0.049 0.000 1.409 368 I HN 0.798 nan 8.210 nan 0.000 0.494 369 R N 7.020 127.421 120.500 -0.164 0.000 2.764 369 R HA 0.648 4.988 4.340 0.001 0.000 0.270 369 R C -3.169 172.934 176.300 -0.328 0.000 1.014 369 R CA -1.902 53.932 56.100 -0.442 0.000 0.904 369 R CB 1.276 30.988 30.300 -0.981 0.000 1.236 369 R HN 0.097 nan 8.270 nan 0.000 0.466 370 P HA 0.081 nan 4.420 nan 0.000 0.272 370 P C -0.195 177.090 177.300 -0.024 0.000 1.223 370 P CA -0.302 62.763 63.100 -0.058 0.000 0.784 370 P CB 1.258 32.983 31.700 0.041 0.000 0.923 371 S N -0.335 115.457 115.700 0.154 0.000 2.436 371 S HA -0.047 4.423 4.470 0.001 0.000 0.228 371 S C 0.626 175.307 174.600 0.135 0.000 1.014 371 S CA 1.104 59.375 58.200 0.117 0.000 0.950 371 S CB -0.282 63.003 63.200 0.141 0.000 0.784 371 S HN 0.596 nan 8.310 nan 0.000 0.504 372 D N 0.765 121.297 120.400 0.220 0.000 2.479 372 D HA 0.209 4.849 4.640 0.001 0.000 0.246 372 D C 0.889 177.387 176.300 0.329 0.000 1.336 372 D CA -0.361 53.781 54.000 0.237 0.000 0.967 372 D CB 1.520 42.451 40.800 0.218 0.000 1.275 372 D HN -0.003 nan 8.370 nan 0.000 0.577 373 V N 2.071 122.185 119.914 0.333 0.000 2.688 373 V HA -0.148 3.972 4.120 0.001 0.000 0.256 373 V C 1.466 177.833 176.094 0.455 0.000 1.084 373 V CA 1.155 63.701 62.300 0.409 0.000 1.103 373 V CB -0.509 31.448 31.823 0.224 0.000 0.688 373 V HN 0.409 nan 8.190 nan 0.000 0.480 374 N N 0.644 119.568 118.700 0.374 0.000 2.550 374 N HA 0.042 4.782 4.740 0.001 0.000 0.186 374 N C 0.441 176.099 175.510 0.247 0.000 1.110 374 N CA 0.602 53.862 53.050 0.351 0.000 0.912 374 N CB 0.187 38.836 38.487 0.271 0.000 0.968 374 N HN 0.488 nan 8.380 nan 0.000 0.448 375 V N 3.052 123.112 119.914 0.243 0.000 2.333 375 V HA 0.201 4.321 4.120 0.001 0.000 0.274 375 V C 0.407 176.521 176.094 0.033 0.000 1.028 375 V CA -0.422 61.945 62.300 0.110 0.000 0.851 375 V CB 1.112 32.998 31.823 0.105 0.000 1.000 375 V HN 0.046 nan 8.190 nan 0.000 0.456 376 M N 3.000 122.525 119.600 -0.125 0.000 2.227 376 M HA 0.370 4.851 4.480 0.001 0.000 0.316 376 M C 1.528 177.646 176.300 -0.304 0.000 1.144 376 M CA -0.170 54.960 55.300 -0.283 0.000 1.121 376 M CB 0.609 33.039 32.600 -0.283 0.000 1.440 376 M HN 0.627 nan 8.290 nan 0.000 0.473 377 A N 1.061 123.753 122.820 -0.214 0.000 1.972 377 A HA -0.131 4.189 4.320 0.001 0.000 0.219 377 A C 1.720 179.161 177.584 -0.239 0.000 1.169 377 A CA 1.620 53.544 52.037 -0.188 0.000 0.635 377 A CB -0.506 18.521 19.000 0.045 0.000 0.810 377 A HN 0.863 nan 8.150 nan 0.000 0.446 378 E N -0.037 120.048 120.200 -0.191 0.000 2.418 378 E HA 0.009 4.360 4.350 0.001 0.000 0.197 378 E C 1.736 178.243 176.600 -0.155 0.000 1.026 378 E CA 0.955 57.268 56.400 -0.145 0.000 0.862 378 E CB 0.028 29.663 29.700 -0.110 0.000 0.799 378 E HN 0.529 nan 8.360 nan 0.000 0.518 379 S N -0.099 115.476 115.700 -0.208 0.000 2.517 379 S HA 0.180 4.650 4.470 0.001 0.000 0.214 379 S C 0.552 175.010 174.600 -0.237 0.000 0.991 379 S CA -0.272 57.821 58.200 -0.179 0.000 0.906 379 S CB 0.169 63.283 63.200 -0.143 0.000 0.789 379 S HN 0.154 nan 8.310 nan 0.000 0.513 380 L N 2.460 123.441 121.223 -0.405 0.000 2.540 380 L HA 0.058 4.398 4.340 0.001 0.000 0.276 380 L C 1.357 178.112 176.870 -0.191 0.000 1.212 380 L CA 0.176 54.702 54.840 -0.523 0.000 0.893 380 L CB 0.306 41.943 42.059 -0.704 0.000 1.138 380 L HN 0.135 nan 8.230 nan 0.000 0.491 381 K N 1.834 122.215 120.400 -0.032 0.000 2.141 381 K HA -0.023 4.297 4.320 0.001 0.000 0.202 381 K C 0.646 177.263 176.600 0.028 0.000 1.045 381 K CA 0.852 57.146 56.287 0.012 0.000 0.971 381 K CB 0.189 32.715 32.500 0.044 0.000 0.795 381 K HN 0.733 nan 8.250 nan 0.000 0.459 382 D N 0.501 120.949 120.400 0.080 0.000 2.587 382 D HA 0.068 4.709 4.640 0.001 0.000 0.233 382 D C 0.086 176.425 176.300 0.064 0.000 1.213 382 D CA 0.055 54.091 54.000 0.059 0.000 0.827 382 D CB 0.264 41.096 40.800 0.054 0.000 1.006 382 D HN -0.058 nan 8.370 nan 0.000 0.490 383 M N 1.253 120.880 119.600 0.045 0.000 2.436 383 M HA 0.273 4.753 4.480 0.001 0.000 0.331 383 M C 0.424 176.733 176.300 0.015 0.000 1.135 383 M CA -0.606 54.717 55.300 0.038 0.000 0.987 383 M CB 2.254 34.865 32.600 0.019 0.000 1.687 383 M HN -0.015 nan 8.290 nan 0.000 0.445 384 E N 1.131 121.345 120.200 0.023 0.000 2.397 384 E HA 0.391 4.742 4.350 0.001 0.000 0.254 384 E C 0.736 177.351 176.600 0.025 0.000 1.231 384 E CA -0.296 56.113 56.400 0.016 0.000 0.954 384 E CB 0.443 30.148 29.700 0.008 0.000 1.024 384 E HN 0.699 nan 8.360 nan 0.000 0.481 385 A N 1.208 124.045 122.820 0.027 0.000 1.933 385 A HA -0.216 4.104 4.320 0.001 0.000 0.218 385 A C 1.573 179.220 177.584 0.104 0.000 1.175 385 A CA 1.826 53.892 52.037 0.048 0.000 0.628 385 A CB -0.515 18.512 19.000 0.044 0.000 0.814 385 A HN 0.619 nan 8.150 nan 0.000 0.444 386 D N -0.053 120.412 120.400 0.109 0.000 2.144 386 D HA 0.012 4.652 4.640 0.001 0.000 0.200 386 D C 2.191 178.652 176.300 0.269 0.000 0.978 386 D CA 1.360 55.494 54.000 0.223 0.000 0.833 386 D CB -0.363 40.393 40.800 -0.073 0.000 0.961 386 D HN 0.419 nan 8.370 nan 0.000 0.470 387 A N 0.595 123.503 122.820 0.146 0.000 1.969 387 A HA -0.194 4.127 4.320 0.001 0.000 0.218 387 A C 2.091 179.774 177.584 0.166 0.000 1.169 387 A CA 1.192 53.326 52.037 0.160 0.000 0.635 387 A CB -0.438 18.629 19.000 0.112 0.000 0.810 387 A HN 0.199 nan 8.150 nan 0.000 0.445 388 Q N -0.464 119.402 119.800 0.110 0.000 2.083 388 Q HA -0.115 4.225 4.340 0.001 0.000 0.198 388 Q C 2.012 178.095 176.000 0.138 0.000 0.969 388 Q CA 1.452 57.299 55.803 0.073 0.000 0.838 388 Q CB -0.137 28.604 28.738 0.004 0.000 0.900 388 Q HN 0.624 nan 8.270 nan 0.000 0.436 389 K N 0.306 120.796 120.400 0.151 0.000 2.057 389 K HA -0.174 4.146 4.320 0.001 0.000 0.207 389 K C 2.010 178.663 176.600 0.089 0.000 1.049 389 K CA 0.898 57.249 56.287 0.107 0.000 0.931 389 K CB -0.118 32.445 32.500 0.104 0.000 0.714 389 K HN 0.070 nan 8.250 nan 0.000 0.440 390 L N 0.208 121.533 121.223 0.171 0.000 2.027 390 L HA -0.178 4.163 4.340 0.001 0.000 0.206 390 L C 2.161 179.134 176.870 0.172 0.000 1.074 390 L CA 1.564 56.490 54.840 0.143 0.000 0.745 390 L CB -0.600 41.601 42.059 0.236 0.000 0.898 390 L HN 0.161 nan 8.230 nan 0.000 0.433 391 Y N -0.559 119.801 120.300 0.100 0.000 2.165 391 Y HA -0.302 4.248 4.550 0.001 0.000 0.286 391 Y C 2.689 178.682 175.900 0.155 0.000 1.155 391 Y CA 2.000 60.167 58.100 0.112 0.000 1.164 391 Y CB -0.150 38.330 38.460 0.034 0.000 0.978 391 Y HN 0.271 nan 8.280 nan 0.000 0.513 392 Q N 0.083 120.036 119.800 0.254 0.000 2.096 392 Q HA -0.220 4.120 4.340 0.001 0.000 0.204 392 Q C 2.352 178.471 176.000 0.198 0.000 0.982 392 Q CA 1.884 57.801 55.803 0.190 0.000 0.850 392 Q CB -0.630 28.181 28.738 0.123 0.000 0.901 392 Q HN 0.579 nan 8.270 nan 0.000 0.422 393 L N 0.318 121.633 121.223 0.154 0.000 2.027 393 L HA -0.126 4.215 4.340 0.001 0.000 0.206 393 L C 2.235 179.293 176.870 0.314 0.000 1.074 393 L CA 1.345 56.305 54.840 0.200 0.000 0.745 393 L CB -0.478 41.646 42.059 0.107 0.000 0.898 393 L HN 0.164 nan 8.230 nan 0.000 0.433 394 I N -1.954 118.761 120.570 0.241 0.000 2.163 394 I HA -0.340 3.830 4.170 0.001 0.000 0.243 394 I C 2.273 178.439 176.117 0.081 0.000 1.085 394 I CA 1.846 63.286 61.300 0.234 0.000 1.347 394 I CB -0.507 37.533 38.000 0.068 0.000 1.044 394 I HN 0.486 nan 8.210 nan 0.000 0.408 395 W N 2.096 123.263 121.300 -0.222 0.000 2.354 395 W HA -0.197 4.463 4.660 0.001 0.000 0.315 395 W C 2.774 179.273 176.519 -0.034 0.000 1.206 395 W CA 1.526 58.756 57.345 -0.191 0.000 1.290 395 W CB -0.167 29.117 29.460 -0.292 0.000 1.152 395 W HN -0.110 nan 8.180 nan 0.000 0.489 396 R N -0.360 120.315 120.500 0.291 0.000 2.096 396 R HA -0.216 4.125 4.340 0.001 0.000 0.235 396 R C 2.122 178.361 176.300 -0.101 0.000 1.127 396 R CA 1.749 57.925 56.100 0.127 0.000 0.968 396 R CB -0.667 29.796 30.300 0.272 0.000 0.861 396 R HN 0.234 nan 8.270 nan 0.000 0.440 397 Q N 0.310 120.031 119.800 -0.132 0.000 2.079 397 Q HA -0.155 4.186 4.340 0.001 0.000 0.200 397 Q C 1.696 177.483 176.000 -0.355 0.000 0.974 397 Q CA 1.475 57.050 55.803 -0.380 0.000 0.840 397 Q CB -0.280 27.900 28.738 -0.930 0.000 0.898 397 Q HN 0.274 nan 8.270 nan 0.000 0.430 398 F N -0.486 119.203 119.950 -0.434 0.000 2.102 398 F HA -0.134 4.393 4.527 0.001 0.000 0.298 398 F C 1.755 177.309 175.800 -0.411 0.000 1.105 398 F CA 1.330 59.090 58.000 -0.400 0.000 1.239 398 F CB -0.523 38.264 39.000 -0.355 0.000 0.991 398 F HN -0.034 nan 8.300 nan 0.000 0.474 399 V N 0.596 120.091 119.914 -0.698 0.000 2.358 399 V HA -0.241 3.879 4.120 0.001 0.000 0.246 399 V C 2.774 178.589 176.094 -0.465 0.000 1.047 399 V CA 1.671 63.503 62.300 -0.781 0.000 1.035 399 V CB -1.566 29.676 31.823 -0.968 0.000 0.658 399 V HN 0.482 nan 8.190 nan 0.000 0.452 400 A N 0.225 122.844 122.820 -0.335 0.000 1.933 400 A HA -0.267 4.053 4.320 0.001 0.000 0.218 400 A C 2.346 179.805 177.584 -0.209 0.000 1.175 400 A CA 1.871 53.813 52.037 -0.157 0.000 0.628 400 A CB -1.106 17.884 19.000 -0.016 0.000 0.814 400 A HN 0.814 nan 8.150 nan 0.000 0.444 401 C N -1.716 117.400 119.300 -0.308 0.000 2.466 401 C HA 0.068 4.529 4.460 0.001 0.000 0.283 401 C C 1.545 176.496 174.990 -0.064 0.000 1.472 401 C CA 0.822 59.698 59.018 -0.237 0.000 1.765 401 C CB -1.005 26.503 27.740 -0.388 0.000 1.724 401 C HN 0.536 nan 8.230 nan 0.000 0.560 402 Q N -0.084 119.616 119.800 -0.165 0.000 2.171 402 Q HA 0.429 4.769 4.340 0.001 0.000 0.218 402 Q C 0.288 176.255 176.000 -0.055 0.000 0.822 402 Q CA 0.205 55.940 55.803 -0.114 0.000 0.987 402 Q CB 0.433 29.037 28.738 -0.224 0.000 1.144 402 Q HN 0.737 nan 8.270 nan 0.000 0.494 403 M N 0.520 120.104 119.600 -0.026 0.000 2.513 403 M HA 0.246 4.726 4.480 0.001 0.000 0.291 403 M C 0.659 177.031 176.300 0.119 0.000 1.190 403 M CA -0.408 54.932 55.300 0.066 0.000 0.960 403 M CB 1.193 33.837 32.600 0.074 0.000 1.517 403 M HN -0.067 nan 8.290 nan 0.000 0.499 404 T N -1.176 113.482 114.554 0.173 0.000 2.828 404 T HA 0.406 4.757 4.350 0.001 0.000 0.290 404 T C -2.625 172.232 174.700 0.263 0.000 1.019 404 T CA -1.558 60.651 62.100 0.181 0.000 1.031 404 T CB 0.111 69.097 68.868 0.196 0.000 1.001 404 T HN 0.263 nan 8.240 nan 0.000 0.531 405 P HA 0.393 nan 4.420 nan 0.000 0.272 405 P C -0.793 176.649 177.300 0.237 0.000 1.223 405 P CA -0.472 62.812 63.100 0.306 0.000 0.784 405 P CB 0.238 32.057 31.700 0.199 0.000 0.923 406 A N 2.696 125.627 122.820 0.185 0.000 2.354 406 A HA 0.359 4.680 4.320 0.001 0.000 0.269 406 A C -0.097 177.465 177.584 -0.036 0.000 1.109 406 A CA -0.133 51.820 52.037 -0.140 0.000 0.800 406 A CB -0.082 18.729 19.000 -0.315 0.000 1.045 406 A HN 0.432 nan 8.150 nan 0.000 0.489 407 K N 1.222 121.544 120.400 -0.130 0.000 2.244 407 K HA 0.559 4.879 4.320 0.001 0.000 0.260 407 K C -1.733 174.755 176.600 -0.186 0.000 0.951 407 K CA -0.092 56.181 56.287 -0.022 0.000 0.826 407 K CB 1.540 34.082 32.500 0.070 0.000 1.108 407 K HN 0.675 nan 8.250 nan 0.000 0.433 408 Y N 0.187 120.513 120.300 0.043 0.000 2.536 408 Y HA 0.281 4.832 4.550 0.001 0.000 0.347 408 Y C -0.279 175.637 175.900 0.027 0.000 1.000 408 Y CA -1.080 57.037 58.100 0.028 0.000 1.051 408 Y CB 1.618 40.091 38.460 0.022 0.000 1.259 408 Y HN 0.441 nan 8.280 nan 0.000 0.468 409 D N 1.251 121.766 120.400 0.192 0.000 2.427 409 D HA 0.293 4.933 4.640 0.001 0.000 0.226 409 D C -0.889 175.475 176.300 0.106 0.000 1.076 409 D CA -0.118 53.950 54.000 0.114 0.000 0.849 409 D CB 1.434 42.279 40.800 0.074 0.000 1.052 409 D HN 0.367 nan 8.370 nan 0.000 0.515 410 S N 1.091 116.840 115.700 0.082 0.000 2.525 410 S HA 0.514 4.984 4.470 0.001 0.000 0.278 410 S C 0.124 174.748 174.600 0.039 0.000 1.234 410 S CA -0.427 57.804 58.200 0.051 0.000 1.058 410 S CB 1.321 64.540 63.200 0.031 0.000 0.983 410 S HN 0.249 nan 8.310 nan 0.000 0.495 411 T N 2.909 117.483 114.554 0.033 0.000 2.840 411 T HA 0.480 4.830 4.350 0.001 0.000 0.287 411 T C -0.627 174.090 174.700 0.027 0.000 0.991 411 T CA -0.521 61.597 62.100 0.030 0.000 0.964 411 T CB 1.402 70.289 68.868 0.031 0.000 0.954 411 T HN 0.466 nan 8.240 nan 0.000 0.438 412 T N 4.376 118.946 114.554 0.027 0.000 2.815 412 T HA 0.505 4.855 4.350 0.001 0.000 0.289 412 T C -0.294 174.424 174.700 0.030 0.000 1.000 412 T CA -0.578 61.539 62.100 0.029 0.000 0.958 412 T CB 0.504 69.389 68.868 0.028 0.000 0.944 412 T HN 0.348 nan 8.240 nan 0.000 0.442 413 L N 3.345 124.589 121.223 0.035 0.000 2.282 413 L HA 0.480 4.820 4.340 0.001 0.000 0.288 413 L C 0.231 177.126 176.870 0.041 0.000 1.033 413 L CA -0.607 54.255 54.840 0.036 0.000 0.807 413 L CB 1.361 43.443 42.059 0.039 0.000 1.209 413 L HN 0.574 nan 8.230 nan 0.000 0.423 414 T N 3.014 117.589 114.554 0.034 0.000 2.770 414 T HA 0.486 4.836 4.350 0.001 0.000 0.283 414 T C -0.187 174.533 174.700 0.034 0.000 0.988 414 T CA -0.340 61.780 62.100 0.033 0.000 0.957 414 T CB 1.759 70.635 68.868 0.014 0.000 0.930 414 T HN 0.150 nan 8.240 nan 0.000 0.443 415 V N 2.553 122.494 119.914 0.046 0.000 2.628 415 V HA 0.827 4.948 4.120 0.001 0.000 0.306 415 V C 0.579 176.683 176.094 0.016 0.000 1.045 415 V CA -0.736 61.593 62.300 0.049 0.000 0.905 415 V CB 2.120 34.002 31.823 0.098 0.000 0.997 415 V HN 0.995 nan 8.190 nan 0.000 0.436 416 G N 2.291 111.083 108.800 -0.013 0.000 2.415 416 G HA2 0.704 4.664 3.960 0.001 0.000 0.327 416 G HA3 0.704 4.664 3.960 0.001 0.000 0.327 416 G C -0.736 174.065 174.900 -0.165 0.000 1.182 416 G CA -0.339 44.727 45.100 -0.058 0.000 0.924 416 G HN 1.148 nan 8.290 nan 0.000 0.470 417 A N 1.938 124.618 122.820 -0.233 0.000 2.522 417 A HA 0.787 5.108 4.320 0.001 0.000 0.285 417 A C 0.881 178.378 177.584 -0.145 0.000 1.198 417 A CA 0.527 52.288 52.037 -0.461 0.000 0.742 417 A CB 0.405 18.747 19.000 -1.097 0.000 1.176 417 A HN 2.505 nan 8.150 nan 0.000 0.444 418 G N 2.368 111.112 108.800 -0.093 0.000 2.651 418 G HA2 -0.389 3.571 3.960 0.001 0.000 0.315 418 G HA3 -0.389 3.571 3.960 0.001 0.000 0.315 418 G C 0.804 175.700 174.900 -0.006 0.000 1.258 418 G CA 1.250 46.347 45.100 -0.005 0.000 1.002 418 G HN 0.901 nan 8.290 nan 0.000 0.551 419 D N 0.108 120.502 120.400 -0.010 0.000 2.363 419 D HA 0.254 4.895 4.640 0.001 0.000 0.220 419 D C 0.892 177.003 176.300 -0.314 0.000 0.994 419 D CA 0.162 54.048 54.000 -0.189 0.000 0.890 419 D CB -0.085 40.534 40.800 -0.302 0.000 0.906 419 D HN 0.207 nan 8.370 nan 0.000 0.530 420 F N 0.040 119.920 119.950 -0.116 0.000 2.403 420 F HA 0.505 5.032 4.527 0.001 0.000 0.326 420 F C 0.800 176.533 175.800 -0.111 0.000 1.081 420 F CA -0.960 56.961 58.000 -0.131 0.000 1.041 420 F CB 0.959 39.827 39.000 -0.219 0.000 1.234 420 F HN -0.422 nan 8.300 nan 0.000 0.503 421 R N 1.577 122.156 120.500 0.132 0.000 2.534 421 R HA 0.762 5.102 4.340 0.001 0.000 0.301 421 R C -2.028 174.339 176.300 0.111 0.000 0.961 421 R CA -0.433 55.724 56.100 0.096 0.000 0.871 421 R CB 0.889 31.258 30.300 0.115 0.000 1.170 421 R HN 0.624 nan 8.270 nan 0.000 0.446 422 L N 2.774 124.045 121.223 0.080 0.000 2.354 422 L HA 0.648 4.989 4.340 0.001 0.000 0.264 422 L C -0.485 176.440 176.870 0.092 0.000 1.008 422 L CA -0.611 54.281 54.840 0.087 0.000 0.819 422 L CB 2.268 44.380 42.059 0.088 0.000 1.339 422 L HN 0.564 nan 8.230 nan 0.000 0.420 423 K N 0.744 121.202 120.400 0.097 0.000 2.512 423 K HA 0.953 5.273 4.320 0.001 0.000 0.263 423 K C -1.597 175.048 176.600 0.075 0.000 0.966 423 K CA -1.007 55.331 56.287 0.084 0.000 0.851 423 K CB 2.724 35.281 32.500 0.095 0.000 1.395 423 K HN 0.658 nan 8.250 nan 0.000 0.440 424 A N 2.003 124.860 122.820 0.061 0.000 2.459 424 A HA 0.556 4.877 4.320 0.001 0.000 0.296 424 A C -1.238 176.372 177.584 0.043 0.000 1.039 424 A CA -0.818 51.250 52.037 0.052 0.000 0.698 424 A CB 1.222 20.250 19.000 0.047 0.000 1.261 424 A HN 0.635 nan 8.150 nan 0.000 0.405 425 R N 0.876 121.399 120.500 0.038 0.000 2.604 425 R HA 0.731 5.072 4.340 0.001 0.000 0.287 425 R C 0.034 176.349 176.300 0.024 0.000 0.970 425 R CA -0.483 55.635 56.100 0.029 0.000 0.946 425 R CB 2.355 32.670 30.300 0.025 0.000 1.127 425 R HN 0.898 nan 8.270 nan 0.000 0.473 426 G N 0.868 109.682 108.800 0.022 0.000 2.660 426 G HA2 0.635 4.595 3.960 0.001 0.000 0.294 426 G HA3 0.635 4.595 3.960 0.001 0.000 0.294 426 G C -1.457 173.458 174.900 0.025 0.000 1.369 426 G CA -0.615 44.500 45.100 0.024 0.000 0.912 426 G HN 0.451 nan 8.290 nan 0.000 0.479 427 R N 0.169 120.690 120.500 0.035 0.000 2.536 427 R HA 0.532 4.873 4.340 0.001 0.000 0.269 427 R C -2.275 174.088 176.300 0.104 0.000 1.113 427 R CA -0.697 55.439 56.100 0.059 0.000 0.948 427 R CB 1.963 32.262 30.300 -0.003 0.000 1.237 427 R HN 0.565 nan 8.270 nan 0.000 0.441 428 I N 4.449 125.107 120.570 0.148 0.000 2.533 428 I HA 0.341 4.511 4.170 0.001 0.000 0.290 428 I C -1.487 174.725 176.117 0.158 0.000 1.056 428 I CA -1.078 60.300 61.300 0.130 0.000 1.057 428 I CB 1.776 39.820 38.000 0.073 0.000 1.240 428 I HN 0.680 nan 8.210 nan 0.000 0.423 429 L N 7.877 129.156 121.223 0.094 0.000 2.462 429 L HA 0.361 4.701 4.340 0.001 0.000 0.272 429 L C 1.140 177.944 176.870 -0.110 0.000 1.166 429 L CA 0.804 55.567 54.840 -0.127 0.000 0.880 429 L CB 0.088 42.039 42.059 -0.179 0.000 1.142 429 L HN 0.845 nan 8.230 nan 0.000 0.473 430 R N 4.056 124.469 120.500 -0.144 0.000 2.103 430 R HA 0.132 4.472 4.340 0.001 0.000 0.212 430 R C -0.569 175.745 176.300 0.023 0.000 1.107 430 R CA 0.195 56.273 56.100 -0.036 0.000 1.025 430 R CB 0.303 30.601 30.300 -0.003 0.000 0.929 430 R HN 0.531 nan 8.270 nan 0.000 0.456 431 F N 2.081 121.886 119.950 -0.240 0.000 2.562 431 F HA 0.214 4.741 4.527 0.001 0.000 0.319 431 F C -0.328 175.295 175.800 -0.294 0.000 1.154 431 F CA -1.755 56.107 58.000 -0.229 0.000 0.931 431 F CB 1.667 40.535 39.000 -0.219 0.000 1.198 431 F HN 0.066 nan 8.300 nan 0.000 0.444 432 D N 2.973 122.879 120.400 -0.824 0.000 2.264 432 D HA 0.132 4.773 4.640 0.001 0.000 0.208 432 D C 1.608 177.353 176.300 -0.926 0.000 0.966 432 D CA 1.144 54.692 54.000 -0.753 0.000 0.864 432 D CB -0.612 39.914 40.800 -0.457 0.000 0.933 432 D HN 0.903 nan 8.370 nan 0.000 0.499 433 G N 1.388 109.246 108.800 -1.570 0.000 2.652 433 G HA2 -0.401 3.559 3.960 0.001 0.000 0.318 433 G HA3 -0.401 3.559 3.960 0.001 0.000 0.318 433 G C 1.100 175.830 174.900 -0.283 0.000 1.295 433 G CA 1.267 45.866 45.100 -0.836 0.000 0.999 433 G HN 0.459 nan 8.290 nan 0.000 0.548 434 W N 0.971 122.171 121.300 -0.167 0.000 2.387 434 W HA -0.076 4.585 4.660 0.001 0.000 0.272 434 W C 2.173 178.586 176.519 -0.177 0.000 1.224 434 W CA 2.920 60.167 57.345 -0.162 0.000 1.210 434 W CB -1.878 27.508 29.460 -0.124 0.000 1.125 434 W HN 0.871 nan 8.180 nan 0.000 0.572 435 T N -0.590 113.314 114.554 -1.083 0.000 3.098 435 T HA -0.163 4.187 4.350 0.001 0.000 0.266 435 T C 1.648 176.097 174.700 -0.419 0.000 1.145 435 T CA 1.499 63.040 62.100 -0.931 0.000 1.092 435 T CB -0.426 67.843 68.868 -0.998 0.000 0.908 435 T HN 0.327 nan 8.240 nan 0.000 0.526 436 K N 1.507 121.702 120.400 -0.342 0.000 2.365 436 K HA 0.022 4.342 4.320 0.001 0.000 0.199 436 K C 1.851 178.374 176.600 -0.128 0.000 1.045 436 K CA 1.081 57.237 56.287 -0.219 0.000 0.962 436 K CB -0.062 32.292 32.500 -0.244 0.000 0.759 436 K HN 0.472 nan 8.250 nan 0.000 0.469 437 V N -1.045 118.775 119.914 -0.157 0.000 3.542 437 V HA 0.242 4.363 4.120 0.001 0.000 0.296 437 V C 0.508 176.662 176.094 0.100 0.000 1.364 437 V CA -0.429 61.889 62.300 0.030 0.000 1.118 437 V CB -0.084 31.721 31.823 -0.029 0.000 0.972 437 V HN 0.045 nan 8.190 nan 0.000 0.430 450 L N 6.532 127.771 121.223 0.026 0.000 2.399 450 L HA 0.577 4.917 4.340 0.001 0.000 0.266 450 L C -1.667 175.216 176.870 0.021 0.000 1.114 450 L CA -1.564 53.290 54.840 0.023 0.000 0.804 450 L CB 0.579 42.654 42.059 0.026 0.000 1.146 450 L HN 0.307 nan 8.230 nan 0.000 0.451 451 P HA 0.152 nan 4.420 nan 0.000 0.273 451 P C -0.975 176.334 177.300 0.016 0.000 1.250 451 P CA -0.547 62.562 63.100 0.015 0.000 0.793 451 P CB 0.724 32.431 31.700 0.011 0.000 1.011 452 A N 0.890 123.719 122.820 0.015 0.000 2.366 452 A HA 0.552 4.873 4.320 0.001 0.000 0.272 452 A C 0.127 177.720 177.584 0.015 0.000 1.135 452 A CA -0.201 51.845 52.037 0.015 0.000 0.804 452 A CB -0.262 18.746 19.000 0.013 0.000 1.064 452 A HN 0.487 nan 8.150 nan 0.000 0.499 453 V N 0.354 120.278 119.914 0.017 0.000 3.098 453 V HA 0.588 4.708 4.120 0.001 0.000 0.294 453 V C -0.967 175.137 176.094 0.018 0.000 1.351 453 V CA -1.265 61.045 62.300 0.018 0.000 0.999 453 V CB 1.396 33.232 31.823 0.021 0.000 1.104 453 V HN 0.827 nan 8.190 nan 0.000 0.438 454 N N 1.014 119.724 118.700 0.017 0.000 2.483 454 N HA 0.530 5.271 4.740 0.001 0.000 0.285 454 N C -0.723 174.797 175.510 0.017 0.000 1.210 454 N CA -0.952 52.108 53.050 0.016 0.000 0.931 454 N CB 1.368 39.863 38.487 0.013 0.000 1.220 454 N HN 0.942 nan 8.380 nan 0.000 0.542 455 K N 0.086 120.495 120.400 0.015 0.000 2.448 455 K HA 0.217 4.537 4.320 0.001 0.000 0.278 455 K C 0.740 177.349 176.600 0.014 0.000 1.009 455 K CA 0.909 57.205 56.287 0.014 0.000 0.995 455 K CB -0.144 32.362 32.500 0.011 0.000 0.917 455 K HN 0.706 nan 8.250 nan 0.000 0.481 456 G N 2.906 111.715 108.800 0.016 0.000 2.234 456 G HA2 -0.213 3.748 3.960 0.001 0.000 0.235 456 G HA3 -0.213 3.748 3.960 0.001 0.000 0.235 456 G C -0.341 174.572 174.900 0.021 0.000 0.997 456 G CA 0.102 45.212 45.100 0.016 0.000 0.623 456 G HN 0.732 nan 8.290 nan 0.000 0.514 457 D N 1.487 121.901 120.400 0.023 0.000 2.423 457 D HA 0.513 5.153 4.640 0.001 0.000 0.238 457 D C 0.805 177.127 176.300 0.036 0.000 1.142 457 D CA 1.056 55.071 54.000 0.026 0.000 0.884 457 D CB 1.168 41.982 40.800 0.024 0.000 1.199 457 D HN 0.774 nan 8.370 nan 0.000 0.438 458 A N 2.512 125.353 122.820 0.036 0.000 2.310 458 A HA 0.583 4.903 4.320 0.001 0.000 0.299 458 A C -0.321 177.291 177.584 0.047 0.000 1.147 458 A CA -0.557 51.509 52.037 0.049 0.000 0.818 458 A CB 0.418 19.442 19.000 0.040 0.000 1.096 458 A HN 0.518 nan 8.150 nan 0.000 0.495 459 L N 1.729 122.995 121.223 0.072 0.000 2.341 459 L HA 0.419 4.759 4.340 0.001 0.000 0.278 459 L C -0.064 176.798 176.870 -0.013 0.000 1.005 459 L CA -0.537 54.323 54.840 0.033 0.000 0.818 459 L CB 2.178 44.270 42.059 0.054 0.000 1.259 459 L HN 0.647 nan 8.230 nan 0.000 0.418 460 T N 3.800 118.318 114.554 -0.059 0.000 2.749 460 T HA 0.260 4.610 4.350 0.001 0.000 0.295 460 T C -0.121 174.457 174.700 -0.204 0.000 0.936 460 T CA -0.340 61.705 62.100 -0.092 0.000 1.060 460 T CB 0.840 69.673 68.868 -0.058 0.000 0.904 460 T HN 0.234 nan 8.240 nan 0.000 0.500 461 L N 6.054 127.093 121.223 -0.306 0.000 2.477 461 L HA 0.169 4.509 4.340 0.001 0.000 0.272 461 L C 0.830 177.566 176.870 -0.224 0.000 1.157 461 L CA 0.599 55.173 54.840 -0.443 0.000 0.889 461 L CB 0.249 42.011 42.059 -0.494 0.000 1.158 461 L HN 0.527 nan 8.230 nan 0.000 0.473 462 V N 3.784 123.581 119.914 -0.194 0.000 2.521 462 V HA 0.238 4.359 4.120 0.001 0.000 0.239 462 V C 0.513 176.552 176.094 -0.092 0.000 1.053 462 V CA 0.854 63.087 62.300 -0.113 0.000 1.073 462 V CB -0.110 31.660 31.823 -0.088 0.000 0.746 462 V HN 0.914 nan 8.190 nan 0.000 0.476 463 E N -0.591 119.550 120.200 -0.099 0.000 2.378 463 E HA 0.402 4.752 4.350 0.001 0.000 0.283 463 E C -1.931 174.633 176.600 -0.060 0.000 0.979 463 E CA -0.557 55.805 56.400 -0.065 0.000 0.795 463 E CB 1.663 31.340 29.700 -0.039 0.000 1.221 463 E HN 0.204 nan 8.360 nan 0.000 0.428 464 L N 2.660 123.859 121.223 -0.039 0.000 2.309 464 L HA 0.496 4.836 4.340 0.001 0.000 0.282 464 L C -0.389 176.484 176.870 0.005 0.000 1.036 464 L CA -0.552 54.275 54.840 -0.021 0.000 0.806 464 L CB 2.000 44.044 42.059 -0.024 0.000 1.220 464 L HN 0.582 nan 8.230 nan 0.000 0.429 465 T N 3.658 118.225 114.554 0.022 0.000 3.155 465 T HA 0.297 4.647 4.350 0.001 0.000 0.384 465 T C -2.503 172.239 174.700 0.070 0.000 1.351 465 T CA -1.098 61.026 62.100 0.040 0.000 1.198 465 T CB 0.792 69.680 68.868 0.033 0.000 1.106 465 T HN 0.325 nan 8.240 nan 0.000 0.564 466 P HA 0.541 nan 4.420 nan 0.000 0.281 466 P C -1.202 176.178 177.300 0.134 0.000 1.252 466 P CA -0.449 62.762 63.100 0.184 0.000 0.778 466 P CB 1.052 32.889 31.700 0.229 0.000 0.895 467 A N 3.185 126.009 122.820 0.007 0.000 2.374 467 A HA 0.411 4.731 4.320 0.001 0.000 0.305 467 A C -0.373 176.655 177.584 -0.927 0.000 1.053 467 A CA -0.747 51.066 52.037 -0.373 0.000 0.726 467 A CB 1.323 20.096 19.000 -0.377 0.000 1.229 467 A HN 0.575 nan 8.150 nan 0.000 0.431 468 Q N 1.873 120.919 119.800 -1.256 0.000 2.256 468 Q HA 0.529 4.869 4.340 0.001 0.000 0.254 468 Q C -0.928 174.475 176.000 -0.995 0.000 0.916 468 Q CA -0.057 54.718 55.803 -1.713 0.000 0.932 468 Q CB 0.529 28.260 28.738 -1.678 0.000 1.207 468 Q HN 0.902 nan 8.270 nan 0.000 0.426 469 H N 1.679 120.243 119.070 -0.842 0.000 2.941 469 H HA 0.557 5.113 4.556 0.001 0.000 0.344 469 H C -1.542 173.604 175.328 -0.303 0.000 1.235 469 H CA -0.906 54.788 56.048 -0.591 0.000 1.149 469 H CB 1.525 30.674 29.762 -1.023 0.000 1.885 469 H HN 0.472 nan 8.280 nan 0.000 0.558 470 F N 1.058 121.049 119.950 0.069 0.000 2.557 470 F HA 0.178 4.706 4.527 0.001 0.000 0.316 470 F C 0.127 176.210 175.800 0.471 0.000 1.141 470 F CA -0.948 57.231 58.000 0.298 0.000 0.922 470 F CB 1.849 40.934 39.000 0.142 0.000 1.194 470 F HN 0.502 nan 8.300 nan 0.000 0.443 471 T N 0.078 114.982 114.554 0.582 0.000 2.908 471 T HA 0.233 4.583 4.350 0.001 0.000 0.325 471 T C -0.065 174.899 174.700 0.441 0.000 1.092 471 T CA -0.453 61.873 62.100 0.376 0.000 1.125 471 T CB 0.618 69.639 68.868 0.256 0.000 1.016 471 T HN 0.298 nan 8.240 nan 0.000 0.550 472 K N 2.786 123.298 120.400 0.187 0.000 2.156 472 K HA 0.544 4.864 4.320 0.001 0.000 0.254 472 K C -2.115 174.082 176.600 -0.672 0.000 0.950 472 K CA -2.387 53.876 56.287 -0.038 0.000 0.849 472 K CB 0.982 33.452 32.500 -0.051 0.000 1.100 472 K HN 0.500 nan 8.250 nan 0.000 0.434 473 P HA 0.175 nan 4.420 nan 0.000 0.273 473 P C -2.434 174.441 177.300 -0.708 0.000 1.250 473 P CA -1.128 61.098 63.100 -1.457 0.000 0.793 473 P CB -0.360 30.952 31.700 -0.647 0.000 1.011 474 P HA 0.090 nan 4.420 nan 0.000 0.266 474 P C -0.209 176.918 177.300 -0.290 0.000 1.195 474 P CA 0.263 63.163 63.100 -0.332 0.000 0.768 474 P CB 0.057 31.602 31.700 -0.260 0.000 0.838 475 A N 3.812 126.484 122.820 -0.246 0.000 2.425 475 A HA 0.157 4.477 4.320 0.001 0.000 0.242 475 A C 0.576 178.000 177.584 -0.267 0.000 1.077 475 A CA -0.036 51.876 52.037 -0.209 0.000 0.781 475 A CB 0.011 18.919 19.000 -0.154 0.000 1.020 475 A HN 0.495 nan 8.150 nan 0.000 0.494 476 R N -0.375 119.996 120.500 -0.215 0.000 2.649 476 R HA 0.350 4.690 4.340 0.001 0.000 0.270 476 R C -0.953 175.250 176.300 -0.162 0.000 1.105 476 R CA -0.279 55.682 56.100 -0.233 0.000 1.193 476 R CB 0.295 30.472 30.300 -0.206 0.000 1.120 476 R HN 0.604 nan 8.270 nan 0.000 0.561 477 F N 0.365 120.315 119.950 -0.000 0.000 2.429 477 F HA 0.085 4.612 4.527 0.001 0.000 0.348 477 F C 1.104 177.029 175.800 0.209 0.000 1.109 477 F CA 0.146 58.168 58.000 0.038 0.000 1.232 477 F CB 0.988 39.941 39.000 -0.078 0.000 1.157 477 F HN 0.453 nan 8.300 nan 0.000 0.564 478 S N 1.087 117.033 115.700 0.410 0.000 2.739 478 S HA 0.346 4.817 4.470 0.001 0.000 0.306 478 S C 0.887 175.748 174.600 0.434 0.000 1.115 478 S CA -0.714 57.699 58.200 0.355 0.000 0.985 478 S CB 1.501 64.811 63.200 0.184 0.000 1.133 478 S HN 0.712 nan 8.310 nan 0.000 0.541 479 E N 0.399 120.843 120.200 0.405 0.000 2.110 479 E HA -0.116 4.234 4.350 0.001 0.000 0.193 479 E C 2.034 178.725 176.600 0.152 0.000 0.988 479 E CA 1.304 57.943 56.400 0.397 0.000 0.804 479 E CB -0.488 29.366 29.700 0.256 0.000 0.745 479 E HN 0.772 nan 8.360 nan 0.000 0.458 480 A N 0.453 123.339 122.820 0.109 0.000 1.897 480 A HA -0.151 4.169 4.320 0.001 0.000 0.215 480 A C 2.278 179.873 177.584 0.018 0.000 1.181 480 A CA 1.707 53.764 52.037 0.033 0.000 0.620 480 A CB -0.578 18.439 19.000 0.029 0.000 0.821 480 A HN 0.399 nan 8.150 nan 0.000 0.443 481 S N -0.778 114.973 115.700 0.084 0.000 2.453 481 S HA -0.033 4.438 4.470 0.001 0.000 0.231 481 S C 1.740 176.379 174.600 0.065 0.000 1.005 481 S CA 1.152 59.423 58.200 0.118 0.000 0.949 481 S CB -0.332 62.995 63.200 0.211 0.000 0.774 481 S HN 0.310 nan 8.310 nan 0.000 0.510 482 L N 1.849 123.015 121.223 -0.095 0.000 2.109 482 L HA 0.193 4.533 4.340 0.001 0.000 0.207 482 L C 2.424 179.111 176.870 -0.306 0.000 1.086 482 L CA 1.213 55.762 54.840 -0.484 0.000 0.760 482 L CB -0.774 40.850 42.059 -0.725 0.000 0.910 482 L HN 0.218 nan 8.230 nan 0.000 0.437 483 V N -0.102 119.696 119.914 -0.192 0.000 2.343 483 V HA -0.297 3.823 4.120 0.001 0.000 0.247 483 V C 2.619 178.568 176.094 -0.242 0.000 1.051 483 V CA 2.020 64.189 62.300 -0.217 0.000 1.036 483 V CB -0.711 30.957 31.823 -0.257 0.000 0.654 483 V HN 0.493 nan 8.190 nan 0.000 0.451 484 K N -0.001 120.297 120.400 -0.170 0.000 2.097 484 K HA -0.265 4.055 4.320 0.001 0.000 0.206 484 K C 2.183 178.735 176.600 -0.080 0.000 1.049 484 K CA 1.861 58.075 56.287 -0.121 0.000 0.933 484 K CB -0.060 32.405 32.500 -0.058 0.000 0.717 484 K HN 0.403 nan 8.250 nan 0.000 0.442 485 E N 1.020 121.169 120.200 -0.084 0.000 2.051 485 E HA -0.149 4.201 4.350 0.001 0.000 0.192 485 E C 1.902 178.442 176.600 -0.101 0.000 0.991 485 E CA 1.349 57.699 56.400 -0.084 0.000 0.799 485 E CB -0.234 29.366 29.700 -0.167 0.000 0.748 485 E HN 0.331 nan 8.360 nan 0.000 0.449 486 L N 0.394 121.557 121.223 -0.099 0.000 2.083 486 L HA -0.155 4.185 4.340 0.001 0.000 0.209 486 L C 2.681 179.631 176.870 0.133 0.000 1.083 486 L CA 1.755 56.600 54.840 0.008 0.000 0.752 486 L CB -0.511 41.607 42.059 0.098 0.000 0.899 486 L HN 0.303 nan 8.230 nan 0.000 0.433 487 E N 0.858 121.148 120.200 0.151 0.000 2.046 487 E HA -0.266 4.084 4.350 0.001 0.000 0.190 487 E C 2.246 178.885 176.600 0.065 0.000 0.982 487 E CA 1.087 57.597 56.400 0.185 0.000 0.800 487 E CB 0.085 29.795 29.700 0.017 0.000 0.756 487 E HN 0.300 nan 8.360 nan 0.000 0.449 488 K N 0.450 120.855 120.400 0.008 0.000 2.103 488 K HA -0.145 4.175 4.320 0.001 0.000 0.207 488 K C 1.981 178.570 176.600 -0.017 0.000 1.048 488 K CA 1.309 57.592 56.287 -0.008 0.000 0.930 488 K CB 0.038 32.526 32.500 -0.020 0.000 0.716 488 K HN 0.019 nan 8.250 nan 0.000 0.444 489 R N -1.004 119.474 120.500 -0.038 0.000 2.310 489 R HA 0.063 4.403 4.340 0.001 0.000 0.202 489 R C 0.840 177.127 176.300 -0.022 0.000 0.933 489 R CA 0.533 56.600 56.100 -0.055 0.000 1.054 489 R CB 0.421 30.636 30.300 -0.141 0.000 0.985 489 R HN 0.492 nan 8.270 nan 0.000 0.489 490 G N 1.129 109.926 108.800 -0.005 0.000 2.153 490 G HA2 -0.235 3.725 3.960 0.001 0.000 0.252 490 G HA3 -0.235 3.725 3.960 0.001 0.000 0.252 490 G C 0.739 175.620 174.900 -0.032 0.000 0.994 490 G CA 0.058 45.152 45.100 -0.010 0.000 0.698 490 G HN 0.207 nan 8.290 nan 0.000 0.521 491 I N 0.767 121.322 120.570 -0.026 0.000 2.333 491 I HA 0.127 4.297 4.170 0.001 0.000 0.246 491 I C 2.040 178.097 176.117 -0.099 0.000 1.106 491 I CA 1.708 62.984 61.300 -0.039 0.000 1.411 491 I CB -1.333 36.657 38.000 -0.017 0.000 1.082 491 I HN 0.311 nan 8.210 nan 0.000 0.420 492 G N 1.237 109.966 108.800 -0.118 0.000 2.491 492 G HA2 0.590 4.550 3.960 0.001 0.000 0.327 492 G HA3 0.590 4.550 3.960 0.001 0.000 0.327 492 G C -0.312 174.202 174.900 -0.643 0.000 1.189 492 G CA -0.346 44.507 45.100 -0.412 0.000 0.956 492 G HN 0.004 nan 8.290 nan 0.000 0.491 493 R N -0.050 119.897 120.500 -0.921 0.000 2.836 493 R HA 0.384 4.724 4.340 0.001 0.000 0.269 493 R C -2.213 173.635 176.300 -0.752 0.000 1.010 493 R CA -2.263 53.460 56.100 -0.629 0.000 0.930 493 R CB 0.716 30.825 30.300 -0.320 0.000 1.218 493 R HN 0.155 nan 8.270 nan 0.000 0.473 494 P HA -0.181 nan 4.420 nan 0.000 0.217 494 P C 0.994 178.251 177.300 -0.072 0.000 1.148 494 P CA 1.793 64.883 63.100 -0.017 0.000 0.828 494 P CB 0.267 31.969 31.700 0.003 0.000 0.783 495 S N -2.617 113.004 115.700 -0.133 0.000 2.528 495 S HA -0.017 4.453 4.470 0.001 0.000 0.219 495 S C 1.600 176.135 174.600 -0.108 0.000 0.985 495 S CA 1.204 59.347 58.200 -0.095 0.000 0.914 495 S CB -1.301 61.855 63.200 -0.072 0.000 0.776 495 S HN 0.252 nan 8.310 nan 0.000 0.526 496 T N -2.999 111.436 114.554 -0.199 0.000 2.969 496 T HA 0.252 4.602 4.350 0.001 0.000 0.250 496 T C 1.323 175.954 174.700 -0.115 0.000 1.021 496 T CA -0.205 61.797 62.100 -0.164 0.000 1.003 496 T CB -0.642 68.107 68.868 -0.198 0.000 1.040 496 T HN 0.186 nan 8.240 nan 0.000 0.492 497 Y N 2.960 123.229 120.300 -0.052 0.000 2.030 497 Y HA -0.132 4.419 4.550 0.001 0.000 0.272 497 Y C 3.109 178.985 175.900 -0.041 0.000 1.185 497 Y CA 1.430 59.497 58.100 -0.055 0.000 1.120 497 Y CB -1.332 37.091 38.460 -0.060 0.000 0.955 497 Y HN 0.395 nan 8.280 nan 0.000 0.495 498 A N -1.153 121.752 122.820 0.140 0.000 1.858 498 A HA -0.225 4.096 4.320 0.001 0.000 0.216 498 A C 2.553 180.169 177.584 0.052 0.000 1.190 498 A CA 2.168 54.252 52.037 0.078 0.000 0.617 498 A CB -1.374 17.656 19.000 0.051 0.000 0.827 498 A HN 0.423 nan 8.150 nan 0.000 0.443 499 S N -0.393 115.325 115.700 0.030 0.000 2.370 499 S HA -0.164 4.307 4.470 0.001 0.000 0.226 499 S C 1.898 176.514 174.600 0.026 0.000 1.033 499 S CA 1.623 59.834 58.200 0.019 0.000 1.011 499 S CB -0.593 62.607 63.200 -0.000 0.000 0.852 499 S HN 0.468 nan 8.310 nan 0.000 0.457 500 I N 0.839 121.421 120.570 0.020 0.000 2.208 500 I HA -0.181 3.990 4.170 0.001 0.000 0.245 500 I C 2.059 178.200 176.117 0.039 0.000 1.097 500 I CA 1.336 62.648 61.300 0.021 0.000 1.363 500 I CB -0.321 37.679 38.000 -0.000 0.000 1.051 500 I HN 0.341 nan 8.210 nan 0.000 0.413 501 I N -0.457 120.145 120.570 0.053 0.000 2.500 501 I HA -0.171 3.999 4.170 0.001 0.000 0.252 501 I C 2.484 178.680 176.117 0.130 0.000 1.142 501 I CA 0.777 62.129 61.300 0.087 0.000 1.451 501 I CB -0.115 37.944 38.000 0.097 0.000 1.093 501 I HN 0.101 nan 8.210 nan 0.000 0.430 502 S N 0.131 115.884 115.700 0.088 0.000 2.357 502 S HA -0.131 4.340 4.470 0.001 0.000 0.221 502 S C 2.064 176.698 174.600 0.056 0.000 1.031 502 S CA 1.715 59.957 58.200 0.070 0.000 0.982 502 S CB -0.212 63.014 63.200 0.043 0.000 0.853 502 S HN 0.400 nan 8.310 nan 0.000 0.458 503 T N 3.794 118.376 114.554 0.047 0.000 2.684 503 T HA -0.107 4.243 4.350 0.001 0.000 0.267 503 T C 1.875 176.594 174.700 0.031 0.000 1.036 503 T CA 1.681 63.801 62.100 0.033 0.000 1.148 503 T CB -0.678 68.213 68.868 0.039 0.000 0.863 503 T HN 0.646 nan 8.240 nan 0.000 0.436 504 I N -0.175 120.445 120.570 0.083 0.000 2.567 504 I HA -0.169 4.002 4.170 0.001 0.000 0.257 504 I C 2.253 178.425 176.117 0.091 0.000 1.184 504 I CA 1.473 62.849 61.300 0.127 0.000 1.451 504 I CB -0.556 37.559 38.000 0.191 0.000 1.089 504 I HN 0.235 nan 8.210 nan 0.000 0.441 505 Q N 1.033 120.891 119.800 0.096 0.000 2.163 505 Q HA -0.102 4.238 4.340 0.001 0.000 0.198 505 Q C 1.743 177.739 176.000 -0.007 0.000 0.954 505 Q CA 1.249 57.097 55.803 0.075 0.000 0.851 505 Q CB 0.081 28.870 28.738 0.085 0.000 0.928 505 Q HN 0.538 nan 8.270 nan 0.000 0.459 506 D N 0.770 121.156 120.400 -0.023 0.000 2.117 506 D HA -0.129 4.511 4.640 0.001 0.000 0.197 506 D C 1.500 177.732 176.300 -0.112 0.000 0.987 506 D CA 1.112 55.083 54.000 -0.049 0.000 0.829 506 D CB -0.095 40.686 40.800 -0.032 0.000 0.961 506 D HN 0.164 nan 8.370 nan 0.000 0.460 507 R N -0.053 120.323 120.500 -0.206 0.000 2.339 507 R HA 0.131 4.471 4.340 0.001 0.000 0.199 507 R C 1.212 177.196 176.300 -0.526 0.000 1.018 507 R CA 0.589 56.447 56.100 -0.403 0.000 1.036 507 R CB 0.048 29.986 30.300 -0.603 0.000 0.899 507 R HN 0.159 nan 8.270 nan 0.000 0.473 508 G N 0.600 109.226 108.800 -0.291 0.000 2.160 508 G HA2 -0.278 3.683 3.960 0.001 0.000 0.244 508 G HA3 -0.278 3.683 3.960 0.001 0.000 0.244 508 G C 0.163 175.065 174.900 0.004 0.000 1.022 508 G CA 0.082 45.105 45.100 -0.128 0.000 0.741 508 G HN 0.335 nan 8.290 nan 0.000 0.508 509 Y N -0.751 119.605 120.300 0.093 0.000 2.517 509 Y HA 0.423 4.974 4.550 0.001 0.000 0.281 509 Y C 1.580 177.560 175.900 0.133 0.000 1.125 509 Y CA 0.081 58.242 58.100 0.101 0.000 1.283 509 Y CB 0.150 38.665 38.460 0.091 0.000 1.042 509 Y HN 0.801 nan 8.280 nan 0.000 0.547 510 V N -1.230 118.856 119.914 0.286 0.000 3.178 510 V HA 0.765 4.885 4.120 0.001 0.000 0.302 510 V C -0.845 175.380 176.094 0.219 0.000 1.262 510 V CA -1.574 60.905 62.300 0.299 0.000 1.030 510 V CB 2.658 34.731 31.823 0.417 0.000 1.074 510 V HN 0.176 nan 8.190 nan 0.000 0.438 511 R N 1.115 121.733 120.500 0.197 0.000 2.771 511 R HA 0.920 5.261 4.340 0.001 0.000 0.274 511 R C -2.007 174.284 176.300 -0.016 0.000 0.987 511 R CA -0.848 55.290 56.100 0.064 0.000 0.908 511 R CB 2.305 32.631 30.300 0.045 0.000 1.213 511 R HN 0.579 nan 8.270 nan 0.000 0.468 512 V N 1.263 121.076 119.914 -0.170 0.000 2.435 512 V HA 0.427 4.547 4.120 0.001 0.000 0.290 512 V C -0.416 175.625 176.094 -0.089 0.000 1.030 512 V CA -0.455 61.688 62.300 -0.261 0.000 0.881 512 V CB 1.334 32.883 31.823 -0.457 0.000 0.983 512 V HN 0.906 nan 8.190 nan 0.000 0.445 513 E N 3.818 124.031 120.200 0.021 0.000 2.274 513 E HA 0.410 4.761 4.350 0.001 0.000 0.269 513 E C -0.237 176.409 176.600 0.077 0.000 0.891 513 E CA -0.596 55.791 56.400 -0.021 0.000 0.784 513 E CB 0.906 30.462 29.700 -0.240 0.000 1.225 513 E HN 0.692 nan 8.360 nan 0.000 0.412 514 N N 3.588 122.304 118.700 0.026 0.000 2.747 514 N HA -0.228 4.513 4.740 0.001 0.000 0.249 514 N C -0.601 174.942 175.510 0.055 0.000 1.107 514 N CA 1.259 54.336 53.050 0.045 0.000 0.707 514 N CB -0.684 37.846 38.487 0.073 0.000 1.054 514 N HN 0.776 nan 8.380 nan 0.000 0.555 515 R N -3.528 116.987 120.500 0.026 0.000 3.989 515 R HA -0.226 4.114 4.340 0.001 0.000 0.377 515 R C -0.587 175.741 176.300 0.047 0.000 1.158 515 R CA 1.041 57.154 56.100 0.021 0.000 1.035 515 R CB -1.073 29.250 30.300 0.040 0.000 1.557 515 R HN 0.224 nan 8.270 nan 0.000 0.551 516 R N 0.150 120.695 120.500 0.076 0.000 2.740 516 R HA 0.440 4.781 4.340 0.001 0.000 0.282 516 R C -0.349 176.012 176.300 0.101 0.000 0.969 516 R CA -0.965 55.203 56.100 0.114 0.000 0.918 516 R CB 0.571 30.922 30.300 0.085 0.000 1.175 516 R HN -0.129 nan 8.270 nan 0.000 0.464 517 F N 1.678 121.673 119.950 0.074 0.000 2.427 517 F HA 0.291 4.819 4.527 0.001 0.000 0.352 517 F C 0.008 175.774 175.800 -0.056 0.000 1.100 517 F CA 0.249 58.317 58.000 0.112 0.000 1.191 517 F CB 0.613 39.705 39.000 0.154 0.000 1.128 517 F HN 0.260 nan 8.300 nan 0.000 0.533 518 Y N 1.777 122.221 120.300 0.240 0.000 2.350 518 Y HA 0.587 5.137 4.550 0.001 0.000 0.338 518 Y C 0.143 176.165 175.900 0.204 0.000 0.961 518 Y CA -1.452 56.755 58.100 0.179 0.000 1.100 518 Y CB 1.447 39.965 38.460 0.096 0.000 1.179 518 Y HN 0.662 nan 8.280 nan 0.000 0.454 519 A N 3.485 126.478 122.820 0.288 0.000 2.401 519 A HA 0.368 4.689 4.320 0.001 0.000 0.259 519 A C -0.022 177.699 177.584 0.229 0.000 1.103 519 A CA -0.510 51.674 52.037 0.245 0.000 0.789 519 A CB 0.171 19.281 19.000 0.185 0.000 1.035 519 A HN 0.796 nan 8.150 nan 0.000 0.491 520 E N 0.954 121.281 120.200 0.213 0.000 2.248 520 E HA 0.159 4.510 4.350 0.001 0.000 0.272 520 E C 0.210 176.901 176.600 0.152 0.000 1.008 520 E CA -0.754 55.751 56.400 0.175 0.000 0.856 520 E CB 1.320 31.120 29.700 0.168 0.000 1.120 520 E HN 0.652 nan 8.360 nan 0.000 0.397 521 K N 1.439 121.913 120.400 0.123 0.000 2.074 521 K HA -0.228 4.093 4.320 0.001 0.000 0.209 521 K C 1.876 178.542 176.600 0.110 0.000 1.048 521 K CA 1.656 58.005 56.287 0.103 0.000 0.926 521 K CB -0.152 32.398 32.500 0.083 0.000 0.713 521 K HN 0.457 nan 8.250 nan 0.000 0.444 522 M N -0.324 119.360 119.600 0.141 0.000 2.149 522 M HA -0.023 4.457 4.480 0.001 0.000 0.261 522 M C 1.835 178.240 176.300 0.176 0.000 1.064 522 M CA 2.158 57.564 55.300 0.177 0.000 1.102 522 M CB -0.911 31.831 32.600 0.236 0.000 1.369 522 M HN 0.204 nan 8.290 nan 0.000 0.408 523 G N -0.928 107.996 108.800 0.207 0.000 2.408 523 G HA2 -0.173 3.787 3.960 0.001 0.000 0.217 523 G HA3 -0.173 3.787 3.960 0.001 0.000 0.217 523 G C 1.465 176.360 174.900 -0.009 0.000 1.150 523 G CA 0.749 45.898 45.100 0.082 0.000 0.776 523 G HN 0.593 nan 8.290 nan 0.000 0.542 524 E N -0.089 120.142 120.200 0.053 0.000 2.072 524 E HA -0.031 4.319 4.350 0.001 0.000 0.191 524 E C 2.475 179.083 176.600 0.014 0.000 0.985 524 E CA 0.493 56.916 56.400 0.038 0.000 0.801 524 E CB -0.095 29.642 29.700 0.062 0.000 0.750 524 E HN 0.471 nan 8.360 nan 0.000 0.452 525 I N 0.465 121.048 120.570 0.023 0.000 2.252 525 I HA -0.220 3.951 4.170 0.001 0.000 0.245 525 I C 2.307 178.416 176.117 -0.013 0.000 1.102 525 I CA 0.644 61.955 61.300 0.018 0.000 1.385 525 I CB -0.083 37.942 38.000 0.042 0.000 1.064 525 I HN -0.016 nan 8.210 nan 0.000 0.414 526 V N 0.478 120.353 119.914 -0.064 0.000 2.407 526 V HA -0.268 3.852 4.120 0.001 0.000 0.248 526 V C 2.495 178.516 176.094 -0.122 0.000 1.055 526 V CA 2.328 64.550 62.300 -0.131 0.000 1.049 526 V CB -0.831 30.775 31.823 -0.360 0.000 0.662 526 V HN 0.460 nan 8.190 nan 0.000 0.455 527 T N -0.299 114.182 114.554 -0.121 0.000 2.708 527 T HA -0.191 4.159 4.350 0.001 0.000 0.266 527 T C 1.664 176.345 174.700 -0.031 0.000 1.037 527 T CA 1.742 63.797 62.100 -0.074 0.000 1.146 527 T CB -0.371 68.469 68.868 -0.047 0.000 0.865 527 T HN 0.490 nan 8.240 nan 0.000 0.435 528 D N 0.546 120.936 120.400 -0.017 0.000 2.144 528 D HA -0.039 4.602 4.640 0.001 0.000 0.199 528 D C 2.393 178.693 176.300 -0.000 0.000 0.984 528 D CA 0.922 54.919 54.000 -0.005 0.000 0.834 528 D CB -0.214 40.588 40.800 0.003 0.000 0.955 528 D HN 0.114 nan 8.370 nan 0.000 0.465 529 R N 0.225 120.729 120.500 0.005 0.000 2.092 529 R HA 0.079 4.419 4.340 0.001 0.000 0.231 529 R C 2.391 178.724 176.300 0.055 0.000 1.119 529 R CA 0.427 56.541 56.100 0.022 0.000 0.970 529 R CB -0.414 29.903 30.300 0.029 0.000 0.864 529 R HN 0.187 nan 8.270 nan 0.000 0.440 530 L N 0.225 121.483 121.223 0.058 0.000 2.141 530 L HA -0.112 4.228 4.340 0.001 0.000 0.209 530 L C 1.760 178.701 176.870 0.118 0.000 1.094 530 L CA 1.277 56.197 54.840 0.133 0.000 0.763 530 L CB -0.345 41.743 42.059 0.048 0.000 0.908 530 L HN 0.280 nan 8.230 nan 0.000 0.437 531 E N -0.053 120.167 120.200 0.034 0.000 2.274 531 E HA -0.165 4.186 4.350 0.001 0.000 0.194 531 E C 1.767 178.354 176.600 -0.023 0.000 0.996 531 E CA 0.669 57.069 56.400 -0.001 0.000 0.840 531 E CB 0.120 29.805 29.700 -0.025 0.000 0.772 531 E HN 0.597 nan 8.360 nan 0.000 0.491 532 E N 0.772 120.958 120.200 -0.022 0.000 2.051 532 E HA -0.043 4.307 4.350 0.001 0.000 0.189 532 E C 1.789 178.314 176.600 -0.126 0.000 0.979 532 E CA 0.556 56.920 56.400 -0.060 0.000 0.803 532 E CB 0.113 29.785 29.700 -0.047 0.000 0.761 532 E HN 0.178 nan 8.360 nan 0.000 0.451 533 N N -0.135 118.477 118.700 -0.147 0.000 2.395 533 N HA 0.004 4.745 4.740 0.001 0.000 0.175 533 N C -0.079 174.973 175.510 -0.763 0.000 1.029 533 N CA 0.674 53.463 53.050 -0.435 0.000 0.897 533 N CB 0.438 38.660 38.487 -0.443 0.000 0.991 533 N HN 0.042 nan 8.380 nan 0.000 0.441 534 F N 0.754 120.641 119.950 -0.105 0.000 2.584 534 F HA 0.355 4.882 4.527 0.001 0.000 0.328 534 F C 1.313 177.045 175.800 -0.115 0.000 1.407 534 F CA -0.941 56.986 58.000 -0.121 0.000 1.145 534 F CB 0.550 39.530 39.000 -0.034 0.000 1.440 534 F HN -0.143 nan 8.300 nan 0.000 0.580 535 R N -0.416 120.055 120.500 -0.048 0.000 2.120 535 R HA -0.101 4.239 4.340 0.001 0.000 0.234 535 R C 1.419 177.662 176.300 -0.096 0.000 1.123 535 R CA 1.645 57.706 56.100 -0.064 0.000 0.975 535 R CB -0.131 30.115 30.300 -0.090 0.000 0.866 535 R HN 0.214 nan 8.270 nan 0.000 0.446 536 E N 0.898 120.996 120.200 -0.170 0.000 2.072 536 E HA -0.152 4.198 4.350 0.001 0.000 0.191 536 E C 1.924 178.252 176.600 -0.452 0.000 0.985 536 E CA 1.108 57.294 56.400 -0.356 0.000 0.801 536 E CB -0.225 29.157 29.700 -0.529 0.000 0.750 536 E HN 0.354 nan 8.360 nan 0.000 0.452 537 L N 0.489 121.594 121.223 -0.197 0.000 2.046 537 L HA -0.125 4.215 4.340 0.001 0.000 0.208 537 L C 1.916 178.872 176.870 0.143 0.000 1.077 537 L CA 1.547 56.429 54.840 0.070 0.000 0.747 537 L CB -0.304 41.892 42.059 0.228 0.000 0.896 537 L HN 0.045 nan 8.230 nan 0.000 0.432 538 M N -0.230 119.398 119.600 0.046 0.000 2.628 538 M HA 0.051 4.531 4.480 0.001 0.000 0.232 538 M C 0.446 176.674 176.300 -0.119 0.000 1.128 538 M CA 0.238 55.525 55.300 -0.022 0.000 1.040 538 M CB -1.939 30.636 32.600 -0.042 0.000 1.608 538 M HN 0.426 nan 8.290 nan 0.000 0.507 539 N N -0.097 118.590 118.700 -0.022 0.000 2.419 539 N HA 0.041 4.781 4.740 0.001 0.000 0.264 539 N C 0.272 175.836 175.510 0.089 0.000 1.031 539 N CA -0.270 52.762 53.050 -0.030 0.000 0.951 539 N CB 0.954 39.473 38.487 0.053 0.000 1.101 539 N HN -0.088 nan 8.380 nan 0.000 0.488 540 Y N 2.439 122.809 120.300 0.118 0.000 2.114 540 Y HA -0.226 4.324 4.550 0.001 0.000 0.282 540 Y C 1.858 177.814 175.900 0.094 0.000 1.165 540 Y CA 1.164 59.319 58.100 0.092 0.000 1.148 540 Y CB -0.265 38.233 38.460 0.063 0.000 0.972 540 Y HN 0.630 nan 8.280 nan 0.000 0.504 541 D N -0.941 119.618 120.400 0.265 0.000 2.219 541 D HA -0.179 4.462 4.640 0.001 0.000 0.205 541 D C 2.063 178.472 176.300 0.180 0.000 0.970 541 D CA 1.007 55.118 54.000 0.184 0.000 0.851 541 D CB -0.620 40.275 40.800 0.158 0.000 0.943 541 D HN 0.345 nan 8.370 nan 0.000 0.488 542 F N 2.161 122.162 119.950 0.087 0.000 2.113 542 F HA -0.172 4.355 4.527 0.000 0.000 0.297 542 F C 2.264 178.112 175.800 0.080 0.000 1.103 542 F CA 1.383 59.432 58.000 0.081 0.000 1.248 542 F CB -0.568 38.475 39.000 0.072 0.000 0.999 542 F HN -0.182 nan 8.300 nan 0.000 0.475 543 T N 0.836 115.383 114.554 -0.012 0.000 2.708 543 T HA -0.162 4.188 4.350 0.001 0.000 0.266 543 T C 2.235 176.852 174.700 -0.138 0.000 1.037 543 T CA 1.569 63.598 62.100 -0.118 0.000 1.146 543 T CB -0.955 67.961 68.868 0.081 0.000 0.865 543 T HN 0.367 nan 8.240 nan 0.000 0.435 544 A N 1.101 123.898 122.820 -0.037 0.000 1.930 544 A HA -0.124 4.196 4.320 0.001 0.000 0.217 544 A C 2.292 179.831 177.584 -0.075 0.000 1.175 544 A CA 1.804 53.816 52.037 -0.041 0.000 0.627 544 A CB -0.671 18.335 19.000 0.010 0.000 0.815 544 A HN 0.427 nan 8.150 nan 0.000 0.443 545 Q N -0.816 118.934 119.800 -0.082 0.000 2.046 545 Q HA -0.125 4.216 4.340 0.001 0.000 0.200 545 Q C 1.961 177.881 176.000 -0.134 0.000 0.975 545 Q CA 1.874 57.634 55.803 -0.072 0.000 0.836 545 Q CB -0.354 28.375 28.738 -0.015 0.000 0.896 545 Q HN 0.489 nan 8.270 nan 0.000 0.428 546 M N 0.424 119.859 119.600 -0.275 0.000 2.149 546 M HA -0.129 4.351 4.480 0.001 0.000 0.261 546 M C 1.736 177.907 176.300 -0.215 0.000 1.064 546 M CA 1.453 56.577 55.300 -0.293 0.000 1.102 546 M CB -0.929 31.377 32.600 -0.491 0.000 1.369 546 M HN 0.238 nan 8.290 nan 0.000 0.408 547 E N 0.108 120.195 120.200 -0.190 0.000 2.072 547 E HA -0.109 4.242 4.350 0.001 0.000 0.191 547 E C 1.763 178.291 176.600 -0.120 0.000 0.985 547 E CA 0.975 57.281 56.400 -0.156 0.000 0.801 547 E CB -0.632 28.984 29.700 -0.139 0.000 0.750 547 E HN 0.656 nan 8.360 nan 0.000 0.452 548 N N 0.401 119.044 118.700 -0.095 0.000 2.120 548 N HA -0.089 4.651 4.740 0.001 0.000 0.188 548 N C 1.923 177.393 175.510 -0.067 0.000 1.024 548 N CA 1.058 54.067 53.050 -0.067 0.000 0.852 548 N CB 0.014 38.474 38.487 -0.045 0.000 1.003 548 N HN -0.051 nan 8.380 nan 0.000 0.424 549 S N 0.955 116.612 115.700 -0.071 0.000 2.382 549 S HA -0.035 4.435 4.470 0.001 0.000 0.228 549 S C 1.947 176.500 174.600 -0.077 0.000 1.027 549 S CA 0.729 58.894 58.200 -0.057 0.000 0.991 549 S CB -0.173 63.008 63.200 -0.032 0.000 0.823 549 S HN 0.241 nan 8.310 nan 0.000 0.469 550 L N 1.269 122.426 121.223 -0.109 0.000 2.046 550 L HA -0.151 4.190 4.340 0.001 0.000 0.208 550 L C 2.170 178.976 176.870 -0.107 0.000 1.077 550 L CA 1.126 55.891 54.840 -0.125 0.000 0.747 550 L CB -0.647 41.318 42.059 -0.157 0.000 0.896 550 L HN 0.204 nan 8.230 nan 0.000 0.432 551 D N -0.253 120.091 120.400 -0.094 0.000 2.117 551 D HA -0.202 4.438 4.640 0.001 0.000 0.197 551 D C 2.268 178.531 176.300 -0.062 0.000 0.987 551 D CA 1.122 55.076 54.000 -0.078 0.000 0.829 551 D CB -0.160 40.601 40.800 -0.065 0.000 0.961 551 D HN 0.378 nan 8.370 nan 0.000 0.460 552 Q N 0.204 119.970 119.800 -0.056 0.000 2.096 552 Q HA -0.113 4.228 4.340 0.001 0.000 0.204 552 Q C 2.381 178.352 176.000 -0.048 0.000 0.982 552 Q CA 0.869 56.645 55.803 -0.045 0.000 0.850 552 Q CB 0.016 28.728 28.738 -0.043 0.000 0.901 552 Q HN 0.129 nan 8.270 nan 0.000 0.422 553 V N 0.607 120.487 119.914 -0.057 0.000 2.343 553 V HA -0.288 3.833 4.120 0.001 0.000 0.247 553 V C 2.191 178.246 176.094 -0.065 0.000 1.051 553 V CA 1.790 64.057 62.300 -0.054 0.000 1.036 553 V CB -0.948 30.841 31.823 -0.055 0.000 0.654 553 V HN 0.435 nan 8.190 nan 0.000 0.451 554 A N 0.273 123.042 122.820 -0.086 0.000 1.972 554 A HA -0.171 4.149 4.320 0.001 0.000 0.219 554 A C 1.724 179.278 177.584 -0.050 0.000 1.169 554 A CA 1.758 53.738 52.037 -0.095 0.000 0.635 554 A CB -0.453 18.482 19.000 -0.108 0.000 0.810 554 A HN 0.617 nan 8.150 nan 0.000 0.446 555 N N -0.680 118.007 118.700 -0.021 0.000 2.295 555 N HA 0.028 4.769 4.740 0.001 0.000 0.221 555 N C -0.229 175.334 175.510 0.088 0.000 1.129 555 N CA 0.105 53.164 53.050 0.015 0.000 0.836 555 N CB -0.256 38.233 38.487 0.002 0.000 1.040 555 N HN 0.615 nan 8.380 nan 0.000 0.494 556 H N 0.475 119.514 119.070 -0.052 0.000 2.713 556 H HA -0.154 4.402 4.556 0.001 0.000 0.311 556 H C -0.449 174.863 175.328 -0.026 0.000 1.175 556 H CA 0.857 56.882 56.048 -0.039 0.000 1.143 556 H CB -0.855 28.885 29.762 -0.037 0.000 1.434 556 H HN 0.485 nan 8.280 nan 0.000 0.418 557 E N -0.927 119.229 120.200 -0.075 0.000 2.562 557 E HA 0.545 4.895 4.350 0.001 0.000 0.214 557 E C 0.197 176.739 176.600 -0.097 0.000 0.979 557 E CA 0.457 56.808 56.400 -0.081 0.000 1.002 557 E CB 1.317 30.996 29.700 -0.035 0.000 1.048 557 E HN 0.470 nan 8.360 nan 0.000 0.488 558 A N 1.005 123.757 122.820 -0.113 0.000 2.597 558 A HA 0.378 4.699 4.320 0.001 0.000 0.292 558 A C -1.598 175.946 177.584 -0.066 0.000 1.057 558 A CA -0.763 51.224 52.037 -0.083 0.000 0.674 558 A CB 1.543 20.512 19.000 -0.052 0.000 1.278 558 A HN -0.010 nan 8.150 nan 0.000 0.416 559 E N 1.596 121.777 120.200 -0.031 0.000 2.191 559 E HA 0.246 4.596 4.350 0.001 0.000 0.278 559 E C 0.633 177.286 176.600 0.089 0.000 0.972 559 E CA -0.699 55.725 56.400 0.041 0.000 0.804 559 E CB 0.679 30.390 29.700 0.018 0.000 1.110 559 E HN 0.841 nan 8.360 nan 0.000 0.394 560 W N 6.319 127.544 121.300 -0.125 0.000 2.358 560 W HA -0.121 4.540 4.660 0.001 0.000 0.303 560 W C 0.856 177.265 176.519 -0.183 0.000 1.208 560 W CA 0.783 58.025 57.345 -0.172 0.000 1.274 560 W CB -0.597 28.733 29.460 -0.216 0.000 1.138 560 W HN 0.464 nan 8.180 nan 0.000 0.515 561 K N 0.825 120.820 120.400 -0.676 0.000 2.148 561 K HA -0.025 4.295 4.320 0.001 0.000 0.204 561 K C 2.583 179.039 176.600 -0.240 0.000 1.050 561 K CA 1.627 57.536 56.287 -0.630 0.000 0.942 561 K CB -0.398 31.794 32.500 -0.514 0.000 0.724 561 K HN 0.157 nan 8.250 nan 0.000 0.446 562 A N 0.973 123.719 122.820 -0.122 0.000 1.898 562 A HA -0.087 4.233 4.320 0.001 0.000 0.216 562 A C 2.327 179.924 177.584 0.020 0.000 1.181 562 A CA 1.090 53.116 52.037 -0.017 0.000 0.620 562 A CB -0.490 18.502 19.000 -0.013 0.000 0.819 562 A HN 0.051 nan 8.150 nan 0.000 0.442 563 V N 0.088 119.991 119.914 -0.019 0.000 2.427 563 V HA -0.231 3.890 4.120 0.001 0.000 0.248 563 V C 2.546 178.658 176.094 0.029 0.000 1.051 563 V CA 1.864 64.181 62.300 0.028 0.000 1.048 563 V CB -0.640 31.174 31.823 -0.014 0.000 0.666 563 V HN 0.563 nan 8.190 nan 0.000 0.456 564 L N -0.478 120.633 121.223 -0.188 0.000 2.056 564 L HA -0.156 4.184 4.340 0.001 0.000 0.207 564 L C 2.382 179.289 176.870 0.061 0.000 1.078 564 L CA 1.462 56.074 54.840 -0.381 0.000 0.749 564 L CB -0.696 40.474 42.059 -1.480 0.000 0.901 564 L HN 0.323 nan 8.230 nan 0.000 0.433 565 D N -0.981 119.522 120.400 0.171 0.000 2.123 565 D HA -0.244 4.397 4.640 0.001 0.000 0.196 565 D C 2.016 178.516 176.300 0.334 0.000 0.992 565 D CA 1.494 55.718 54.000 0.373 0.000 0.833 565 D CB -0.167 40.792 40.800 0.266 0.000 0.954 565 D HN 0.375 nan 8.370 nan 0.000 0.455 566 H N -0.378 118.802 119.070 0.183 0.000 2.389 566 H HA -0.088 4.468 4.556 0.001 0.000 0.299 566 H C 1.836 177.312 175.328 0.246 0.000 1.081 566 H CA 1.201 57.353 56.048 0.175 0.000 1.345 566 H CB -0.456 29.382 29.762 0.127 0.000 1.393 566 H HN 0.124 nan 8.280 nan 0.000 0.520 567 F N -0.079 119.921 119.950 0.084 0.000 2.051 567 F HA -0.146 4.382 4.527 0.001 0.000 0.296 567 F C 2.004 177.969 175.800 0.274 0.000 1.122 567 F CA 1.482 59.546 58.000 0.108 0.000 1.201 567 F CB -1.218 37.808 39.000 0.043 0.000 0.978 567 F HN 0.189 nan 8.300 nan 0.000 0.472 568 F N 0.657 120.350 119.950 -0.428 0.000 2.202 568 F HA -0.144 4.383 4.527 0.000 0.000 0.301 568 F C 2.827 178.535 175.800 -0.154 0.000 1.082 568 F CA 1.697 59.482 58.000 -0.359 0.000 1.313 568 F CB -0.991 38.082 39.000 0.121 0.000 1.024 568 F HN 0.204 nan 8.300 nan 0.000 0.495 569 S N -0.282 115.413 115.700 -0.007 0.000 2.355 569 S HA -0.184 4.287 4.470 0.001 0.000 0.222 569 S C 1.900 176.401 174.600 -0.165 0.000 1.031 569 S CA 1.712 59.876 58.200 -0.061 0.000 0.993 569 S CB -0.495 62.743 63.200 0.064 0.000 0.859 569 S HN 0.412 nan 8.310 nan 0.000 0.453 570 D N 0.376 120.668 120.400 -0.181 0.000 2.117 570 D HA -0.059 4.582 4.640 0.001 0.000 0.198 570 D C 1.591 177.730 176.300 -0.267 0.000 0.982 570 D CA 0.891 54.777 54.000 -0.189 0.000 0.828 570 D CB -0.548 40.203 40.800 -0.082 0.000 0.967 570 D HN 0.482 nan 8.370 nan 0.000 0.464 571 F N 1.675 121.350 119.950 -0.458 0.000 2.161 571 F HA -0.128 4.399 4.527 0.001 0.000 0.300 571 F C 1.400 176.974 175.800 -0.377 0.000 1.089 571 F CA 1.140 58.860 58.000 -0.466 0.000 1.282 571 F CB -0.549 38.091 39.000 -0.601 0.000 1.010 571 F HN -0.103 nan 8.300 nan 0.000 0.485 572 T N 0.000 114.146 114.554 -0.680 0.000 3.816 572 T HA 0.000 4.350 4.350 0.001 0.000 0.228 572 T CA 0.000 61.684 62.100 -0.693 0.000 1.349 572 T CB 0.000 68.428 68.868 -0.732 0.000 0.612 572 T HN 0.000 nan 8.240 nan 0.000 0.658