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 1fur_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNTVRSEKDS MGAIDVPADK LWGAQTQRSL EHFRISTEKM PTSLIHALAL DATA SEQUENCE TKRAAAKVNE DLGLLSEEKA SAIRQAADEV LAGQHDDEFP LAIWQTGSGT DATA SEQUENCE QSNMNMNEVL ANRASELLGG VRGMERKVHP NDDVNKSQSS NDVFPTAMHV DATA SEQUENCE AALLALRKQL IPQLKTLTQT LNEKSRAFAD IVKIGRTNLQ DATPLTLGQE DATA SEQUENCE ISGWVAMLEH NLKHIEYSLP HVAELALGGT AVGTGLNTHP EYARRVADEL DATA SEQUENCE AVITCAPFVT APNKFEALAT CDALVQAHGA LKGLAASLMK IANDVRWLAS DATA SEQUENCE GPRCGIGEIS IPENEPXXXX MPGKVNPTQC EALTMLCCQV MGNDVAINMG DATA SEQUENCE GASGNFELNV FRPMVIHNFL QSVRLLADGM ESFNKHCAVG IEPNRERINQ DATA SEQUENCE LLNESLMLVT ALNTHIGYDK AAEIAKKAHK EGLTLKAAAL ALGYLSEAEF DATA SEQUENCE DSWVRPEQM 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.285 176.300 -0.025 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.027 0.000 0.988 1 M CB 0.000 32.573 32.600 -0.045 0.000 1.302 2 N N 2.019 120.709 118.700 -0.018 0.000 2.333 2 N HA 0.014 nan 4.740 nan 0.000 0.178 2 N C -0.592 174.906 175.510 -0.019 0.000 1.018 2 N CA 0.706 53.748 53.050 -0.013 0.000 0.882 2 N CB 0.535 39.017 38.487 -0.007 0.000 0.984 2 N HN 0.253 8.624 8.380 -0.016 0.000 0.434 3 T N 3.621 118.160 114.554 -0.025 0.000 2.908 3 T HA -0.017 nan 4.350 nan 0.000 0.301 3 T C -0.597 174.079 174.700 -0.040 0.000 1.019 3 T CA 0.611 62.694 62.100 -0.029 0.000 1.152 3 T CB 0.838 69.687 68.868 -0.031 0.000 0.966 3 T HN -0.274 7.951 8.240 -0.025 0.000 0.540 4 V N 0.203 120.097 119.914 -0.034 0.000 3.093 4 V HA 0.822 nan 4.120 nan 0.000 0.320 4 V C -1.646 174.422 176.094 -0.043 0.000 1.093 4 V CA -3.467 58.809 62.300 -0.040 0.000 1.016 4 V CB 2.900 34.709 31.823 -0.022 0.000 1.096 4 V HN 0.020 8.194 8.190 -0.026 0.000 0.452 5 R N 0.227 120.697 120.500 -0.050 0.000 2.628 5 R HA 0.361 nan 4.340 nan 0.000 0.288 5 R C -2.012 174.271 176.300 -0.028 0.000 0.980 5 R CA -1.519 54.554 56.100 -0.045 0.000 0.891 5 R CB 4.036 34.294 30.300 -0.069 0.000 1.188 5 R HN 0.920 9.058 8.270 -0.054 0.099 0.450 6 S N 4.943 120.633 115.700 -0.017 0.000 2.430 6 S HA 0.323 nan 4.470 nan 0.000 0.289 6 S C -1.027 173.573 174.600 -0.001 0.000 1.143 6 S CA -0.241 57.956 58.200 -0.005 0.000 1.067 6 S CB 0.351 63.549 63.200 -0.002 0.000 0.964 6 S HN 0.491 8.790 8.310 -0.018 0.000 0.485 7 E N 7.178 127.383 120.200 0.009 0.000 2.263 7 E HA 0.541 nan 4.350 nan 0.000 0.264 7 E C -2.029 174.584 176.600 0.022 0.000 0.923 7 E CA -1.550 54.860 56.400 0.017 0.000 0.802 7 E CB 4.258 33.975 29.700 0.029 0.000 1.228 7 E HN 0.290 8.658 8.360 0.013 0.000 0.417 8 K N -1.272 119.141 120.400 0.022 0.000 2.536 8 K HA 0.659 nan 4.320 nan 0.000 0.269 8 K C -1.913 174.699 176.600 0.019 0.000 0.965 8 K CA -1.143 55.156 56.287 0.019 0.000 0.860 8 K CB 3.281 35.788 32.500 0.012 0.000 1.423 8 K HN -0.192 8.072 8.250 0.022 0.000 0.438 9 D N -1.744 118.666 120.400 0.018 0.000 2.837 9 D HA 0.386 nan 4.640 nan 0.000 0.294 9 D C 1.902 178.209 176.300 0.011 0.000 1.158 9 D CA -1.589 52.421 54.000 0.016 0.000 1.073 9 D CB 1.953 42.767 40.800 0.023 0.000 1.419 9 D HN 0.440 8.717 8.370 0.019 0.104 0.584 10 S N 0.284 115.990 115.700 0.011 0.000 2.419 10 S HA -0.246 nan 4.470 nan 0.000 0.235 10 S C 0.983 175.592 174.600 0.013 0.000 1.019 10 S CA 2.799 61.004 58.200 0.009 0.000 0.982 10 S CB -0.143 63.062 63.200 0.009 0.000 0.789 10 S HN 0.326 8.643 8.310 0.012 0.000 0.490 11 M N -0.303 119.309 119.600 0.021 0.000 2.502 11 M HA 0.002 nan 4.480 nan 0.000 0.243 11 M C -0.440 175.874 176.300 0.024 0.000 1.130 11 M CA 0.455 55.771 55.300 0.026 0.000 1.055 11 M CB 1.373 33.997 32.600 0.041 0.000 1.457 11 M HN -0.583 7.884 8.290 0.023 -0.163 0.488 12 G N -2.787 106.025 108.800 0.019 0.000 2.316 12 G HA2 -0.151 nan 3.960 nan 0.000 0.349 12 G HA3 -0.151 nan 3.960 nan 0.000 0.349 12 G C -2.982 171.929 174.900 0.018 0.000 1.274 12 G CA -0.809 44.301 45.100 0.017 0.000 1.018 12 G HN -0.463 7.737 8.290 0.018 0.101 0.486 13 A N 0.102 122.932 122.820 0.016 0.000 2.303 13 A HA 0.967 nan 4.320 nan 0.000 0.317 13 A C -1.286 176.310 177.584 0.020 0.000 1.149 13 A CA -1.157 50.889 52.037 0.016 0.000 0.822 13 A CB 1.473 20.480 19.000 0.012 0.000 1.131 13 A HN 0.181 8.340 8.150 0.015 0.000 0.493 14 I N 0.485 121.068 120.570 0.022 0.000 2.827 14 I HA 0.203 nan 4.170 nan 0.000 0.298 14 I C -2.502 173.631 176.117 0.027 0.000 1.235 14 I CA -1.638 59.677 61.300 0.026 0.000 1.021 14 I CB 4.333 42.350 38.000 0.028 0.000 1.259 14 I HN 0.915 9.138 8.210 0.022 0.000 0.427 15 D N 7.004 127.419 120.400 0.025 0.000 2.351 15 D HA 0.423 nan 4.640 nan 0.000 0.251 15 D C -0.824 175.496 176.300 0.034 0.000 1.137 15 D CA 0.099 54.110 54.000 0.019 0.000 0.879 15 D CB 0.246 41.054 40.800 0.013 0.000 1.181 15 D HN -0.097 8.288 8.370 0.025 0.000 0.448 16 V N 3.658 123.575 119.914 0.004 0.000 2.604 16 V HA 0.403 nan 4.120 nan 0.000 0.305 16 V C -2.309 173.720 176.094 -0.109 0.000 1.043 16 V CA -3.895 58.392 62.300 -0.021 0.000 0.888 16 V CB 3.470 35.255 31.823 -0.063 0.000 0.995 16 V HN 0.754 8.826 8.190 -0.017 0.109 0.429 17 P HA -0.001 nan 4.420 nan 0.000 0.264 17 P C -0.040 177.124 177.300 -0.226 0.000 1.193 17 P CA 0.032 63.031 63.100 -0.168 0.000 0.763 17 P CB 0.126 31.716 31.700 -0.183 0.000 0.810 18 A N 4.383 127.114 122.820 -0.148 0.000 2.032 18 A HA -0.403 nan 4.320 nan 0.000 0.221 18 A C 0.685 178.173 177.584 -0.161 0.000 1.165 18 A CA 2.956 54.911 52.037 -0.137 0.000 0.645 18 A CB -0.280 18.668 19.000 -0.087 0.000 0.807 18 A HN 0.662 8.643 8.150 -0.108 0.104 0.453 19 D N -6.426 113.870 120.400 -0.173 0.000 2.328 19 D HA -0.055 nan 4.640 nan 0.000 0.226 19 D C 0.273 176.426 176.300 -0.245 0.000 1.066 19 D CA -0.256 53.645 54.000 -0.164 0.000 0.861 19 D CB -0.267 40.465 40.800 -0.114 0.000 0.912 19 D HN 0.255 8.487 8.370 -0.166 0.038 0.521 20 K N -0.372 119.787 120.400 -0.402 0.000 2.156 20 K HA 0.417 nan 4.320 nan 0.000 0.250 20 K C -0.890 175.410 176.600 -0.500 0.000 0.955 20 K CA -1.868 54.047 56.287 -0.620 0.000 0.855 20 K CB 2.076 33.760 32.500 -1.360 0.000 1.101 20 K HN -0.343 7.594 8.250 -0.398 0.075 0.434 21 L N 0.396 121.388 121.223 -0.386 0.000 2.567 21 L HA 0.082 nan 4.340 nan 0.000 0.225 21 L C -0.979 175.820 176.870 -0.118 0.000 1.119 21 L CA 0.591 55.295 54.840 -0.225 0.000 0.871 21 L CB 0.639 42.582 42.059 -0.193 0.000 1.036 21 L HN 0.382 8.749 8.230 -0.372 -0.360 0.459 22 W N -4.506 116.709 121.300 -0.142 0.000 2.030 22 W HA 0.013 nan 4.660 nan 0.000 0.360 22 W C -1.461 175.015 176.519 -0.072 0.000 1.370 22 W CA -1.092 56.179 57.345 -0.122 0.000 1.433 22 W CB 0.279 29.657 29.460 -0.136 0.000 1.204 22 W HN -0.858 7.111 8.180 -0.352 0.000 0.649 23 G N -4.504 104.491 108.800 0.325 0.000 3.217 23 G HA2 0.307 nan 3.960 nan 0.000 0.213 23 G HA3 0.307 nan 3.960 nan 0.000 0.213 23 G C -1.056 173.971 174.900 0.212 0.000 1.294 23 G CA -1.883 43.332 45.100 0.192 0.000 0.987 23 G HN -0.277 8.443 8.290 0.327 -0.234 0.584 24 A N -0.288 122.601 122.820 0.114 0.000 1.883 24 A HA -0.336 nan 4.320 nan 0.000 0.217 24 A C 2.274 179.892 177.584 0.058 0.000 1.186 24 A CA 3.214 55.301 52.037 0.082 0.000 0.624 24 A CB -0.280 18.751 19.000 0.051 0.000 0.822 24 A HN 0.456 8.658 8.150 0.086 0.000 0.444 25 Q N -3.305 116.522 119.800 0.045 0.000 2.119 25 Q HA -0.328 nan 4.340 nan 0.000 0.201 25 Q C 2.638 178.621 176.000 -0.028 0.000 0.972 25 Q CA 3.360 59.172 55.803 0.014 0.000 0.847 25 Q CB 0.008 28.755 28.738 0.016 0.000 0.903 25 Q HN -0.106 8.423 8.270 0.054 -0.227 0.433 26 T N 2.885 117.413 114.554 -0.044 0.000 2.821 26 T HA -0.242 nan 4.350 nan 0.000 0.267 26 T C 2.015 176.554 174.700 -0.268 0.000 1.046 26 T CA 4.583 66.558 62.100 -0.209 0.000 1.139 26 T CB -0.678 67.985 68.868 -0.341 0.000 0.871 26 T HN -0.503 7.976 8.240 0.021 -0.227 0.454 27 Q N 1.762 121.515 119.800 -0.078 0.000 2.079 27 Q HA -0.295 nan 4.340 nan 0.000 0.200 27 Q C 2.074 178.018 176.000 -0.093 0.000 0.974 27 Q CA 3.005 58.813 55.803 0.008 0.000 0.840 27 Q CB -0.547 28.296 28.738 0.175 0.000 0.898 27 Q HN -0.360 7.943 8.270 0.055 0.000 0.430 28 R N -0.968 119.462 120.500 -0.117 0.000 2.073 28 R HA -0.369 nan 4.340 nan 0.000 0.234 28 R C 2.431 178.523 176.300 -0.348 0.000 1.134 28 R CA 3.335 59.265 56.100 -0.283 0.000 0.952 28 R CB -0.268 29.944 30.300 -0.147 0.000 0.850 28 R HN -0.177 8.059 8.270 -0.057 0.000 0.433 29 S N -0.660 114.982 115.700 -0.097 0.000 2.356 29 S HA -0.279 nan 4.470 nan 0.000 0.223 29 S C 2.013 176.667 174.600 0.089 0.000 1.032 29 S CA 3.231 61.486 58.200 0.091 0.000 1.005 29 S CB -0.009 63.180 63.200 -0.018 0.000 0.867 29 S HN -0.466 7.792 8.310 -0.086 0.000 0.449 30 L N 0.743 121.919 121.223 -0.078 0.000 2.042 30 L HA -0.347 nan 4.340 nan 0.000 0.210 30 L C 0.742 177.599 176.870 -0.022 0.000 1.076 30 L CA 2.985 57.778 54.840 -0.080 0.000 0.749 30 L CB 0.009 41.961 42.059 -0.178 0.000 0.893 30 L HN 0.001 8.141 8.230 -0.149 0.000 0.432 31 E N -5.499 114.647 120.200 -0.089 0.000 2.299 31 E HA -0.219 nan 4.350 nan 0.000 0.193 31 E C 2.379 178.984 176.600 0.007 0.000 0.998 31 E CA 1.861 58.218 56.400 -0.071 0.000 0.851 31 E CB 0.230 29.853 29.700 -0.129 0.000 0.795 31 E HN -0.528 7.651 8.360 -0.156 0.088 0.492 32 H N -1.761 117.291 119.070 -0.030 0.000 2.582 32 H HA 0.022 nan 4.556 nan 0.000 0.269 32 H C 0.933 175.955 175.328 -0.510 0.000 0.962 32 H CA 0.286 56.177 56.048 -0.261 0.000 1.230 32 H CB 0.968 30.532 29.762 -0.330 0.000 1.445 32 H HN -0.498 7.593 8.280 -0.053 0.158 0.528 33 F N -0.540 119.470 119.950 0.099 0.000 2.532 33 F HA 0.240 nan 4.527 nan 0.000 0.313 33 F C -1.035 174.799 175.800 0.057 0.000 1.301 33 F CA -1.070 56.972 58.000 0.069 0.000 1.154 33 F CB -0.168 38.862 39.000 0.051 0.000 1.335 33 F HN -0.298 8.176 8.300 0.291 0.000 0.542 34 R N 2.738 123.314 120.500 0.126 0.000 3.701 34 R HA 0.063 nan 4.340 nan 0.000 0.210 34 R C -0.751 175.610 176.300 0.102 0.000 1.598 34 R CA -0.330 55.830 56.100 0.100 0.000 1.427 34 R CB -1.207 29.125 30.300 0.053 0.000 1.339 34 R HN 0.045 8.347 8.270 0.053 0.000 0.720 35 I N 2.551 123.223 120.570 0.170 0.000 2.382 35 I HA 0.096 nan 4.170 nan 0.000 0.286 35 I C -0.526 175.703 176.117 0.186 0.000 1.002 35 I CA -0.775 60.614 61.300 0.148 0.000 1.135 35 I CB 0.836 38.951 38.000 0.191 0.000 1.288 35 I HN -0.472 7.833 8.210 0.223 0.039 0.448 36 S N 4.123 119.870 115.700 0.078 0.000 3.245 36 S HA -0.357 nan 4.470 nan 0.000 0.631 36 S C -0.295 174.388 174.600 0.138 0.000 2.821 36 S CA 0.931 59.183 58.200 0.086 0.000 3.266 36 S CB 0.296 63.526 63.200 0.052 0.000 0.314 36 S HN 0.465 8.796 8.310 0.035 0.000 1.621 37 T N -6.833 107.816 114.554 0.158 0.000 3.058 37 T HA 0.151 nan 4.350 nan 0.000 0.278 37 T C -0.190 174.586 174.700 0.128 0.000 0.974 37 T CA -0.499 61.677 62.100 0.126 0.000 0.893 37 T CB 0.443 69.368 68.868 0.095 0.000 1.138 37 T HN -0.093 8.250 8.240 0.172 0.000 0.529 38 E N 2.964 123.270 120.200 0.178 0.000 2.290 38 E HA -0.012 nan 4.350 nan 0.000 0.277 38 E C -0.615 175.952 176.600 -0.055 0.000 1.035 38 E CA 0.369 56.808 56.400 0.066 0.000 0.873 38 E CB 0.230 29.922 29.700 -0.013 0.000 1.029 38 E HN 0.032 8.570 8.360 0.297 0.000 0.419 39 K N 1.310 121.690 120.400 -0.033 0.000 2.346 39 K HA 0.667 nan 4.320 nan 0.000 0.238 39 K C -0.330 176.246 176.600 -0.042 0.000 1.039 39 K CA -2.266 53.991 56.287 -0.050 0.000 0.861 39 K CB 1.913 34.419 32.500 0.011 0.000 1.278 39 K HN 0.123 8.384 8.250 0.018 0.000 0.460 40 M N 0.736 120.316 119.600 -0.033 0.000 2.251 40 M HA -0.030 nan 4.480 nan 0.000 0.343 40 M C -1.564 174.734 176.300 -0.004 0.000 1.245 40 M CA -2.136 53.159 55.300 -0.009 0.000 1.061 40 M CB -1.629 30.971 32.600 0.001 0.000 1.723 40 M HN -0.242 8.028 8.290 -0.033 0.000 0.449 41 P HA 0.147 nan 4.420 nan 0.000 0.271 41 P C 0.846 178.088 177.300 -0.096 0.000 1.218 41 P CA -0.551 62.534 63.100 -0.024 0.000 0.780 41 P CB 1.006 32.698 31.700 -0.013 0.000 0.901 42 T N 3.876 118.351 114.554 -0.132 0.000 2.737 42 T HA -0.323 nan 4.350 nan 0.000 0.269 42 T C 2.112 176.554 174.700 -0.430 0.000 1.040 42 T CA 4.929 66.859 62.100 -0.282 0.000 1.142 42 T CB -0.490 68.208 68.868 -0.284 0.000 0.861 42 T HN 0.507 8.695 8.240 -0.088 0.000 0.456 43 S N 1.672 117.215 115.700 -0.263 0.000 2.382 43 S HA -0.222 nan 4.470 nan 0.000 0.228 43 S C 1.746 176.271 174.600 -0.124 0.000 1.027 43 S CA 2.760 60.850 58.200 -0.183 0.000 0.991 43 S CB -0.615 62.537 63.200 -0.080 0.000 0.823 43 S HN 0.131 8.316 8.310 -0.178 0.018 0.469 44 L N 2.384 123.531 121.223 -0.127 0.000 2.109 44 L HA -0.157 nan 4.340 nan 0.000 0.207 44 L C 1.443 178.220 176.870 -0.155 0.000 1.086 44 L CA 2.667 57.426 54.840 -0.136 0.000 0.760 44 L CB -0.494 41.492 42.059 -0.123 0.000 0.910 44 L HN -0.535 7.502 8.230 -0.123 0.119 0.437 45 I N -0.633 119.823 120.570 -0.189 0.000 2.163 45 I HA -0.593 nan 4.170 nan 0.000 0.243 45 I C 2.230 178.286 176.117 -0.102 0.000 1.085 45 I CA 3.317 64.449 61.300 -0.280 0.000 1.347 45 I CB -1.501 36.243 38.000 -0.426 0.000 1.044 45 I HN -0.145 7.949 8.210 -0.194 0.000 0.408 46 H N -0.915 118.051 119.070 -0.173 0.000 2.387 46 H HA -0.330 nan 4.556 nan 0.000 0.299 46 H C 2.189 177.456 175.328 -0.102 0.000 1.090 46 H CA 2.897 58.879 56.048 -0.110 0.000 1.332 46 H CB 0.001 29.726 29.762 -0.062 0.000 1.386 46 H HN 0.113 8.358 8.280 -0.060 0.000 0.516 47 A N -0.285 122.544 122.820 0.016 0.000 1.933 47 A HA -0.261 nan 4.320 nan 0.000 0.218 47 A C 1.900 179.425 177.584 -0.098 0.000 1.175 47 A CA 3.071 55.074 52.037 -0.057 0.000 0.628 47 A CB -0.848 18.096 19.000 -0.093 0.000 0.814 47 A HN -0.188 7.879 8.150 -0.001 0.082 0.444 48 L N -1.675 119.482 121.223 -0.109 0.000 2.046 48 L HA -0.427 nan 4.340 nan 0.000 0.208 48 L C 2.007 178.842 176.870 -0.059 0.000 1.077 48 L CA 2.811 57.593 54.840 -0.097 0.000 0.747 48 L CB -0.214 41.788 42.059 -0.094 0.000 0.896 48 L HN 0.023 8.104 8.230 -0.116 0.079 0.432 49 A N -0.514 122.274 122.820 -0.054 0.000 1.877 49 A HA -0.347 nan 4.320 nan 0.000 0.216 49 A C 2.068 179.631 177.584 -0.035 0.000 1.186 49 A CA 3.228 55.248 52.037 -0.028 0.000 0.620 49 A CB -0.908 18.071 19.000 -0.034 0.000 0.822 49 A HN -0.213 7.895 8.150 -0.069 0.000 0.443 50 L N -3.070 118.123 121.223 -0.050 0.000 2.042 50 L HA -0.520 nan 4.340 nan 0.000 0.210 50 L C 2.436 179.260 176.870 -0.076 0.000 1.076 50 L CA 3.404 58.209 54.840 -0.059 0.000 0.749 50 L CB -0.393 41.627 42.059 -0.064 0.000 0.893 50 L HN 0.173 8.374 8.230 -0.048 0.000 0.432 51 T N 1.728 116.227 114.554 -0.092 0.000 2.746 51 T HA -0.357 nan 4.350 nan 0.000 0.267 51 T C 2.261 176.932 174.700 -0.047 0.000 1.039 51 T CA 4.964 67.005 62.100 -0.098 0.000 1.142 51 T CB -0.644 68.159 68.868 -0.107 0.000 0.866 51 T HN 0.031 8.142 8.240 -0.095 0.072 0.444 52 K N 0.949 121.336 120.400 -0.022 0.000 2.097 52 K HA -0.199 nan 4.320 nan 0.000 0.205 52 K C 2.129 178.732 176.600 0.005 0.000 1.050 52 K CA 2.623 58.914 56.287 0.007 0.000 0.938 52 K CB -0.712 31.801 32.500 0.022 0.000 0.718 52 K HN -0.136 8.021 8.250 -0.027 0.076 0.442 53 R N -0.438 120.056 120.500 -0.010 0.000 2.081 53 R HA -0.304 nan 4.340 nan 0.000 0.235 53 R C 2.175 178.467 176.300 -0.014 0.000 1.131 53 R CA 3.299 59.393 56.100 -0.010 0.000 0.960 53 R CB -0.036 30.253 30.300 -0.017 0.000 0.856 53 R HN 0.197 8.378 8.270 -0.018 0.077 0.436 54 A N -1.858 120.943 122.820 -0.032 0.000 1.897 54 A HA -0.142 nan 4.320 nan 0.000 0.215 54 A C 1.755 179.324 177.584 -0.025 0.000 1.181 54 A CA 2.780 54.790 52.037 -0.045 0.000 0.620 54 A CB -0.805 18.142 19.000 -0.087 0.000 0.821 54 A HN 0.007 8.131 8.150 -0.043 0.000 0.443 55 A N -1.910 120.912 122.820 0.004 0.000 1.908 55 A HA -0.331 nan 4.320 nan 0.000 0.218 55 A C 1.864 179.509 177.584 0.101 0.000 1.181 55 A CA 2.918 55.011 52.037 0.094 0.000 0.627 55 A CB -0.708 18.371 19.000 0.132 0.000 0.818 55 A HN 0.063 8.208 8.150 -0.009 0.000 0.445 56 A N -1.702 121.149 122.820 0.050 0.000 1.858 56 A HA -0.321 nan 4.320 nan 0.000 0.216 56 A C 1.818 179.418 177.584 0.027 0.000 1.190 56 A CA 3.074 55.133 52.037 0.036 0.000 0.617 56 A CB -0.758 18.253 19.000 0.019 0.000 0.827 56 A HN -0.006 8.165 8.150 0.034 0.000 0.443 57 K N -1.539 118.870 120.400 0.015 0.000 2.032 57 K HA -0.297 nan 4.320 nan 0.000 0.209 57 K C 2.275 178.881 176.600 0.009 0.000 1.048 57 K CA 2.603 58.893 56.287 0.005 0.000 0.927 57 K CB -0.345 32.152 32.500 -0.006 0.000 0.712 57 K HN -0.630 7.626 8.250 0.010 0.000 0.441 58 V N -1.176 118.750 119.914 0.020 0.000 2.358 58 V HA -0.452 nan 4.120 nan 0.000 0.246 58 V C 1.979 178.108 176.094 0.058 0.000 1.047 58 V CA 4.527 66.846 62.300 0.032 0.000 1.035 58 V CB -0.861 30.977 31.823 0.024 0.000 0.658 58 V HN -0.134 8.067 8.190 0.018 0.000 0.452 59 N N -0.951 117.800 118.700 0.086 0.000 2.223 59 N HA -0.431 nan 4.740 nan 0.000 0.185 59 N C 1.577 177.090 175.510 0.006 0.000 1.016 59 N CA 3.710 56.788 53.050 0.047 0.000 0.863 59 N CB -0.033 38.478 38.487 0.040 0.000 0.983 59 N HN 0.022 8.464 8.380 0.104 0.000 0.429 60 E N 0.252 120.456 120.200 0.007 0.000 2.028 60 E HA -0.320 nan 4.350 nan 0.000 0.191 60 E C 2.690 179.281 176.600 -0.015 0.000 0.988 60 E CA 3.295 59.692 56.400 -0.004 0.000 0.799 60 E CB -0.055 29.644 29.700 -0.002 0.000 0.755 60 E HN -0.175 8.099 8.360 0.017 0.096 0.447 61 D N -0.268 120.122 120.400 -0.016 0.000 2.182 61 D HA -0.267 nan 4.640 nan 0.000 0.201 61 D C 1.719 177.986 176.300 -0.055 0.000 0.986 61 D CA 2.868 56.851 54.000 -0.028 0.000 0.847 61 D CB -0.137 40.647 40.800 -0.026 0.000 0.942 61 D HN 0.008 8.318 8.370 -0.008 0.055 0.467 62 L N -4.187 116.989 121.223 -0.079 0.000 2.592 62 L HA -0.003 nan 4.340 nan 0.000 0.227 62 L C 0.475 177.291 176.870 -0.090 0.000 1.127 62 L CA -0.132 54.616 54.840 -0.154 0.000 0.884 62 L CB 0.203 42.102 42.059 -0.268 0.000 1.065 62 L HN -0.297 7.791 8.230 -0.052 0.111 0.457 63 G N -1.556 107.217 108.800 -0.046 0.000 2.153 63 G HA2 -0.317 nan 3.960 nan 0.000 0.252 63 G HA3 -0.317 nan 3.960 nan 0.000 0.252 63 G C 0.275 175.165 174.900 -0.017 0.000 0.994 63 G CA 1.169 46.255 45.100 -0.024 0.000 0.698 63 G HN -0.084 7.974 8.290 -0.040 0.208 0.521 64 L N -2.446 118.763 121.223 -0.023 0.000 2.270 64 L HA -0.015 nan 4.340 nan 0.000 0.210 64 L C 0.129 176.993 176.870 -0.009 0.000 1.104 64 L CA 0.938 55.768 54.840 -0.017 0.000 0.804 64 L CB 0.662 42.703 42.059 -0.030 0.000 0.937 64 L HN 0.184 8.344 8.230 -0.031 0.052 0.450 65 L N -2.851 118.369 121.223 -0.007 0.000 2.370 65 L HA 0.218 nan 4.340 nan 0.000 0.266 65 L C -1.521 175.346 176.870 -0.004 0.000 1.002 65 L CA -1.368 53.471 54.840 -0.003 0.000 0.818 65 L CB 3.018 45.077 42.059 0.000 0.000 1.325 65 L HN -0.772 7.453 8.230 -0.008 0.000 0.418 66 S N 1.574 117.272 115.700 -0.005 0.000 2.579 66 S HA 0.029 nan 4.470 nan 0.000 0.275 66 S C 0.904 175.500 174.600 -0.007 0.000 1.345 66 S CA -0.640 57.556 58.200 -0.006 0.000 1.031 66 S CB 1.700 64.895 63.200 -0.007 0.000 0.892 66 S HN 0.109 8.416 8.310 -0.004 0.000 0.529 67 E N 4.748 124.944 120.200 -0.006 0.000 2.085 67 E HA -0.297 nan 4.350 nan 0.000 0.194 67 E C 2.090 178.685 176.600 -0.007 0.000 0.994 67 E CA 3.554 59.950 56.400 -0.006 0.000 0.801 67 E CB -0.282 29.415 29.700 -0.005 0.000 0.743 67 E HN 0.821 9.178 8.360 -0.005 0.000 0.453 68 E N -1.857 118.337 120.200 -0.009 0.000 2.072 68 E HA -0.289 nan 4.350 nan 0.000 0.191 68 E C 2.380 178.970 176.600 -0.016 0.000 0.985 68 E CA 2.958 59.351 56.400 -0.012 0.000 0.801 68 E CB -0.283 29.409 29.700 -0.013 0.000 0.750 68 E HN 0.216 8.563 8.360 -0.009 0.008 0.452 69 K N -0.222 120.167 120.400 -0.020 0.000 2.057 69 K HA -0.264 nan 4.320 nan 0.000 0.206 69 K C 2.076 178.666 176.600 -0.017 0.000 1.050 69 K CA 2.829 59.100 56.287 -0.027 0.000 0.935 69 K CB -0.169 32.313 32.500 -0.030 0.000 0.715 69 K HN -0.353 7.887 8.250 -0.017 0.000 0.439 70 A N -2.174 120.640 122.820 -0.010 0.000 1.902 70 A HA -0.234 nan 4.320 nan 0.000 0.217 70 A C 2.133 179.715 177.584 -0.003 0.000 1.181 70 A CA 3.214 55.249 52.037 -0.004 0.000 0.623 70 A CB -0.856 18.144 19.000 -0.001 0.000 0.818 70 A HN 0.260 8.404 8.150 -0.010 0.000 0.443 71 S N -1.514 114.183 115.700 -0.005 0.000 2.402 71 S HA -0.314 nan 4.470 nan 0.000 0.229 71 S C 2.038 176.637 174.600 -0.002 0.000 1.021 71 S CA 2.816 61.014 58.200 -0.003 0.000 0.974 71 S CB 0.014 63.212 63.200 -0.003 0.000 0.800 71 S HN 0.035 8.341 8.310 -0.006 0.000 0.484 72 A N 2.778 125.594 122.820 -0.007 0.000 1.873 72 A HA -0.217 nan 4.320 nan 0.000 0.215 72 A C 1.873 179.455 177.584 -0.003 0.000 1.186 72 A CA 2.849 54.882 52.037 -0.007 0.000 0.616 72 A CB -0.699 18.291 19.000 -0.018 0.000 0.823 72 A HN -0.338 7.806 8.150 -0.010 0.000 0.442 73 I N -1.475 119.092 120.570 -0.005 0.000 2.226 73 I HA -0.591 nan 4.170 nan 0.000 0.245 73 I C 1.913 178.035 176.117 0.009 0.000 1.100 73 I CA 4.152 65.453 61.300 0.002 0.000 1.374 73 I CB -0.294 37.707 38.000 0.003 0.000 1.057 73 I HN -0.173 8.032 8.210 -0.009 0.000 0.413 74 R N -1.082 119.422 120.500 0.007 0.000 2.081 74 R HA -0.441 nan 4.340 nan 0.000 0.235 74 R C 2.188 178.494 176.300 0.011 0.000 1.131 74 R CA 3.879 59.983 56.100 0.007 0.000 0.960 74 R CB -0.404 29.898 30.300 0.003 0.000 0.856 74 R HN -0.299 7.973 8.270 0.003 0.000 0.436 75 Q N -0.792 119.016 119.800 0.013 0.000 2.119 75 Q HA -0.265 nan 4.340 nan 0.000 0.201 75 Q C 2.175 178.198 176.000 0.039 0.000 0.972 75 Q CA 2.954 58.769 55.803 0.020 0.000 0.847 75 Q CB 0.017 28.765 28.738 0.016 0.000 0.903 75 Q HN -0.266 7.926 8.270 0.009 0.083 0.433 76 A N -1.001 121.842 122.820 0.038 0.000 1.902 76 A HA -0.276 nan 4.320 nan 0.000 0.217 76 A C 1.869 179.501 177.584 0.081 0.000 1.181 76 A CA 2.846 54.916 52.037 0.056 0.000 0.623 76 A CB -0.859 18.150 19.000 0.015 0.000 0.818 76 A HN -0.075 8.089 8.150 0.023 0.000 0.443 77 A N -2.140 120.711 122.820 0.052 0.000 1.933 77 A HA -0.334 nan 4.320 nan 0.000 0.218 77 A C 1.830 179.430 177.584 0.027 0.000 1.175 77 A CA 3.132 55.196 52.037 0.045 0.000 0.628 77 A CB -0.745 18.266 19.000 0.018 0.000 0.814 77 A HN 0.044 8.215 8.150 0.035 0.000 0.444 78 D N -1.591 118.821 120.400 0.020 0.000 2.178 78 D HA -0.283 nan 4.640 nan 0.000 0.201 78 D C 2.627 178.930 176.300 0.005 0.000 0.980 78 D CA 3.474 57.472 54.000 -0.003 0.000 0.842 78 D CB -0.374 40.426 40.800 0.000 0.000 0.948 78 D HN -0.334 7.971 8.370 0.024 0.079 0.472 79 E N 0.172 120.411 120.200 0.066 0.000 2.072 79 E HA -0.278 nan 4.350 nan 0.000 0.191 79 E C 2.418 179.068 176.600 0.084 0.000 0.985 79 E CA 2.933 59.380 56.400 0.078 0.000 0.801 79 E CB 0.017 29.856 29.700 0.231 0.000 0.750 79 E HN -0.611 7.694 8.360 0.089 0.109 0.452 80 V N 0.243 120.282 119.914 0.208 0.000 2.343 80 V HA -0.295 nan 4.120 nan 0.000 0.247 80 V C 2.791 178.812 176.094 -0.121 0.000 1.051 80 V CA 4.232 66.651 62.300 0.198 0.000 1.036 80 V CB -0.816 31.136 31.823 0.216 0.000 0.654 80 V HN -0.488 7.744 8.190 0.211 0.084 0.451 81 L N -0.524 120.561 121.223 -0.230 0.000 2.141 81 L HA -0.295 nan 4.340 nan 0.000 0.209 81 L C 1.390 178.072 176.870 -0.313 0.000 1.094 81 L CA 2.603 57.159 54.840 -0.473 0.000 0.763 81 L CB -0.403 41.506 42.059 -0.249 0.000 0.908 81 L HN 0.138 8.231 8.230 -0.107 0.073 0.437 82 A N -3.372 119.365 122.820 -0.139 0.000 2.238 82 A HA 0.049 nan 4.320 nan 0.000 0.208 82 A C 0.224 177.786 177.584 -0.037 0.000 1.177 82 A CA 0.076 52.071 52.037 -0.069 0.000 0.804 82 A CB 0.139 19.109 19.000 -0.050 0.000 0.823 82 A HN -0.009 7.952 8.150 -0.103 0.127 0.482 83 G N -2.035 106.751 108.800 -0.024 0.000 2.137 83 G HA2 -0.374 nan 3.960 nan 0.000 0.237 83 G HA3 -0.374 nan 3.960 nan 0.000 0.237 83 G C 0.957 175.854 174.900 -0.006 0.000 1.002 83 G CA 0.253 45.391 45.100 0.064 0.000 0.702 83 G HN -0.462 7.579 8.290 -0.078 0.201 0.515 84 Q N -1.035 118.682 119.800 -0.138 0.000 2.451 84 Q HA -0.070 nan 4.340 nan 0.000 0.206 84 Q C 0.060 175.752 176.000 -0.513 0.000 0.947 84 Q CA 1.002 56.592 55.803 -0.355 0.000 0.937 84 Q CB 0.554 28.978 28.738 -0.523 0.000 1.025 84 Q HN 0.057 8.216 8.270 -0.128 0.035 0.511 85 H N -3.119 116.045 119.070 0.157 0.000 2.750 85 H HA 0.375 nan 4.556 nan 0.000 0.239 85 H C -0.755 174.758 175.328 0.308 0.000 1.210 85 H CA -1.665 54.497 56.048 0.190 0.000 0.936 85 H CB -0.305 29.575 29.762 0.197 0.000 2.074 85 H HN -0.350 7.885 8.280 0.045 0.072 0.622 86 D N 0.734 121.332 120.400 0.331 0.000 2.263 86 D HA -0.243 nan 4.640 nan 0.000 0.208 86 D C 0.583 177.076 176.300 0.321 0.000 0.971 86 D CA 3.312 57.520 54.000 0.348 0.000 0.867 86 D CB -0.400 40.528 40.800 0.213 0.000 0.929 86 D HN -0.160 8.341 8.370 0.218 0.000 0.492 87 D N -4.106 116.437 120.400 0.239 0.000 2.349 87 D HA -0.114 nan 4.640 nan 0.000 0.224 87 D C 0.444 176.877 176.300 0.222 0.000 1.029 87 D CA 1.253 55.373 54.000 0.201 0.000 0.879 87 D CB -0.822 40.065 40.800 0.145 0.000 0.906 87 D HN 0.013 8.468 8.370 0.219 0.047 0.528 88 E N -1.603 118.665 120.200 0.113 0.000 2.479 88 E HA 0.080 nan 4.350 nan 0.000 0.193 88 E C -1.186 175.088 176.600 -0.544 0.000 1.049 88 E CA 0.203 56.533 56.400 -0.115 0.000 0.870 88 E CB 0.364 29.825 29.700 -0.398 0.000 0.944 88 E HN -0.318 7.965 8.360 0.174 0.181 0.492 89 F N -1.129 118.910 119.950 0.149 0.000 2.550 89 F HA 0.331 nan 4.527 nan 0.000 0.348 89 F C -2.397 173.361 175.800 -0.071 0.000 1.219 89 F CA -2.822 55.182 58.000 0.006 0.000 1.203 89 F CB 0.464 39.489 39.000 0.041 0.000 1.436 89 F HN -0.979 7.383 8.300 0.201 0.059 0.541 90 P HA 0.015 nan 4.420 nan 0.000 0.249 90 P C -1.345 175.865 177.300 -0.150 0.000 1.229 90 P CA 0.183 63.183 63.100 -0.167 0.000 0.788 90 P CB 0.252 31.721 31.700 -0.384 0.000 1.072 91 L N -1.072 120.060 121.223 -0.152 0.000 2.456 91 L HA -0.131 nan 4.340 nan 0.000 0.272 91 L C -0.363 176.449 176.870 -0.097 0.000 1.189 91 L CA -0.381 54.380 54.840 -0.131 0.000 0.846 91 L CB -0.000 41.969 42.059 -0.149 0.000 1.111 91 L HN -0.415 7.673 8.230 -0.134 0.061 0.475 92 A N 1.480 124.249 122.820 -0.086 0.000 2.313 92 A HA -0.001 nan 4.320 nan 0.000 0.261 92 A C 0.056 177.465 177.584 -0.292 0.000 1.090 92 A CA -0.310 51.662 52.037 -0.108 0.000 0.807 92 A CB 0.717 19.747 19.000 0.051 0.000 1.055 92 A HN -0.045 8.071 8.150 -0.056 0.000 0.492 93 I N -2.082 118.145 120.570 -0.572 0.000 2.394 93 I HA -0.175 nan 4.170 nan 0.000 0.251 93 I C 1.094 176.681 176.117 -0.883 0.000 1.136 93 I CA 1.477 62.260 61.300 -0.861 0.000 1.425 93 I CB 0.406 37.542 38.000 -1.441 0.000 1.079 93 I HN -0.053 7.824 8.210 -0.556 0.000 0.425 94 W N -1.834 119.401 121.300 -0.108 0.000 1.606 94 W HA -0.102 nan 4.660 nan 0.000 0.455 94 W C -1.161 175.275 176.519 -0.139 0.000 0.711 94 W CA -1.116 56.182 57.345 -0.079 0.000 1.876 94 W CB -2.560 26.897 29.460 -0.005 0.000 1.776 94 W HN -0.196 7.403 8.180 -0.923 0.028 0.229 95 Q N -1.136 118.484 119.800 -0.300 0.000 3.353 95 Q HA 0.240 nan 4.340 nan 0.000 0.302 95 Q C -0.909 174.715 176.000 -0.627 0.000 0.991 95 Q CA -1.963 53.363 55.803 -0.795 0.000 0.827 95 Q CB 1.557 29.884 28.738 -0.686 0.000 1.694 95 Q HN -0.441 7.604 8.270 -0.304 0.042 0.458 96 T N 0.498 114.652 114.554 -0.666 0.000 2.928 96 T HA 0.008 nan 4.350 nan 0.000 0.305 96 T C 2.062 176.552 174.700 -0.350 0.000 1.035 96 T CA 0.328 62.196 62.100 -0.387 0.000 1.145 96 T CB 0.202 68.888 68.868 -0.305 0.000 0.963 96 T HN 0.241 7.998 8.240 -0.805 0.000 0.545 97 G N 5.599 114.235 108.800 -0.273 0.000 2.498 97 G HA2 -0.211 nan 3.960 nan 0.000 0.219 97 G HA3 -0.211 nan 3.960 nan 0.000 0.219 97 G C 0.147 174.899 174.900 -0.246 0.000 1.119 97 G CA 2.117 47.056 45.100 -0.270 0.000 0.766 97 G HN 0.622 8.775 8.290 -0.229 0.000 0.552 98 S N -1.836 113.715 115.700 -0.249 0.000 2.528 98 S HA -0.076 nan 4.470 nan 0.000 0.219 98 S C 0.822 175.161 174.600 -0.435 0.000 0.985 98 S CA -0.349 57.723 58.200 -0.213 0.000 0.914 98 S CB 0.607 63.733 63.200 -0.124 0.000 0.776 98 S HN -0.909 7.215 8.310 -0.240 0.042 0.526 99 G N 0.860 109.248 108.800 -0.687 0.000 2.143 99 G HA2 -0.366 nan 3.960 nan 0.000 0.249 99 G HA3 -0.366 nan 3.960 nan 0.000 0.249 99 G C 0.645 175.210 174.900 -0.557 0.000 0.981 99 G CA 0.610 44.999 45.100 -1.186 0.000 0.665 99 G HN -0.166 7.634 8.290 -0.541 0.165 0.528 100 T N 3.439 117.800 114.554 -0.323 0.000 2.699 100 T HA -0.495 nan 4.350 nan 0.000 0.268 100 T C 1.599 176.217 174.700 -0.137 0.000 1.036 100 T CA 5.558 67.561 62.100 -0.162 0.000 1.147 100 T CB -0.401 68.394 68.868 -0.120 0.000 0.862 100 T HN -0.469 7.518 8.240 -0.325 0.058 0.446 101 Q N 0.674 120.355 119.800 -0.198 0.000 2.124 101 Q HA -0.331 nan 4.340 nan 0.000 0.202 101 Q C 2.511 178.447 176.000 -0.108 0.000 0.977 101 Q CA 3.421 59.129 55.803 -0.159 0.000 0.850 101 Q CB -0.346 28.253 28.738 -0.231 0.000 0.901 101 Q HN 0.057 8.149 8.270 -0.273 0.014 0.429 102 S N 0.379 116.008 115.700 -0.119 0.000 2.406 102 S HA -0.310 nan 4.470 nan 0.000 0.228 102 S C 1.776 176.429 174.600 0.089 0.000 1.020 102 S CA 2.942 61.149 58.200 0.012 0.000 0.965 102 S CB -0.223 63.018 63.200 0.068 0.000 0.798 102 S HN -0.477 7.875 8.310 -0.223 -0.177 0.488 103 N N 2.815 121.554 118.700 0.066 0.000 2.084 103 N HA -0.247 nan 4.740 nan 0.000 0.190 103 N C 1.976 177.530 175.510 0.073 0.000 1.030 103 N CA 3.059 56.164 53.050 0.092 0.000 0.849 103 N CB -0.055 38.475 38.487 0.071 0.000 1.012 103 N HN -0.339 7.954 8.380 -0.002 0.086 0.423 104 M N -0.579 119.044 119.600 0.038 0.000 2.159 104 M HA -0.316 nan 4.480 nan 0.000 0.263 104 M C 2.124 178.461 176.300 0.063 0.000 1.063 104 M CA 1.832 57.156 55.300 0.039 0.000 1.110 104 M CB -1.394 31.213 32.600 0.011 0.000 1.374 104 M HN 0.198 8.493 8.290 0.008 0.000 0.411 105 N N 0.807 119.547 118.700 0.068 0.000 2.069 105 N HA -0.324 nan 4.740 nan 0.000 0.191 105 N C 2.120 177.751 175.510 0.202 0.000 1.031 105 N CA 3.280 56.389 53.050 0.098 0.000 0.852 105 N CB -0.183 38.377 38.487 0.122 0.000 1.018 105 N HN -0.131 8.200 8.380 0.043 0.075 0.423 106 M N -0.108 119.657 119.600 0.276 0.000 2.132 106 M HA -0.264 nan 4.480 nan 0.000 0.263 106 M C 1.674 178.079 176.300 0.174 0.000 1.065 106 M CA 2.569 58.061 55.300 0.319 0.000 1.122 106 M CB -0.328 32.398 32.600 0.210 0.000 1.365 106 M HN -0.236 8.188 8.290 0.223 0.000 0.411 107 N N -0.018 118.753 118.700 0.118 0.000 2.069 107 N HA -0.361 nan 4.740 nan 0.000 0.191 107 N C 2.632 178.185 175.510 0.072 0.000 1.031 107 N CA 3.331 56.430 53.050 0.082 0.000 0.852 107 N CB -0.528 37.999 38.487 0.066 0.000 1.018 107 N HN 0.024 8.405 8.380 0.116 0.068 0.423 108 E N 0.763 121.010 120.200 0.077 0.000 2.047 108 E HA -0.275 nan 4.350 nan 0.000 0.191 108 E C 2.377 179.003 176.600 0.043 0.000 0.987 108 E CA 3.188 59.630 56.400 0.069 0.000 0.799 108 E CB 0.103 29.859 29.700 0.094 0.000 0.752 108 E HN 0.133 8.544 8.360 0.086 0.000 0.449 109 V N 0.827 120.765 119.914 0.040 0.000 2.295 109 V HA -0.345 nan 4.120 nan 0.000 0.246 109 V C 2.064 178.132 176.094 -0.043 0.000 1.049 109 V CA 4.720 66.998 62.300 -0.037 0.000 1.024 109 V CB -0.805 30.952 31.823 -0.110 0.000 0.648 109 V HN -0.182 8.051 8.190 0.072 0.000 0.447 110 L N -2.512 118.723 121.223 0.020 0.000 2.093 110 L HA -0.393 nan 4.340 nan 0.000 0.208 110 L C 2.071 178.935 176.870 -0.010 0.000 1.085 110 L CA 3.205 58.050 54.840 0.009 0.000 0.755 110 L CB -1.043 41.043 42.059 0.046 0.000 0.904 110 L HN 0.170 8.442 8.230 0.069 0.000 0.435 111 A N -0.130 122.691 122.820 0.001 0.000 1.855 111 A HA -0.384 nan 4.320 nan 0.000 0.215 111 A C 2.024 179.590 177.584 -0.030 0.000 1.191 111 A CA 3.420 55.450 52.037 -0.010 0.000 0.613 111 A CB -0.870 18.141 19.000 0.018 0.000 0.829 111 A HN 0.288 8.450 8.150 0.020 0.000 0.442 112 N N -1.572 117.111 118.700 -0.029 0.000 2.166 112 N HA -0.293 nan 4.740 nan 0.000 0.186 112 N C 2.427 177.901 175.510 -0.060 0.000 1.019 112 N CA 2.985 56.008 53.050 -0.044 0.000 0.856 112 N CB -0.342 38.112 38.487 -0.054 0.000 0.993 112 N HN -0.054 8.316 8.380 -0.017 0.000 0.426 113 R N 0.454 120.907 120.500 -0.079 0.000 2.073 113 R HA -0.155 nan 4.340 nan 0.000 0.229 113 R C 1.784 178.058 176.300 -0.044 0.000 1.120 113 R CA 2.264 58.315 56.100 -0.081 0.000 0.967 113 R CB -0.479 29.731 30.300 -0.150 0.000 0.862 113 R HN -0.048 8.171 8.270 -0.084 0.000 0.436 114 A N -1.258 121.539 122.820 -0.040 0.000 1.972 114 A HA -0.210 nan 4.320 nan 0.000 0.219 114 A C 2.037 179.598 177.584 -0.039 0.000 1.169 114 A CA 2.952 54.970 52.037 -0.031 0.000 0.635 114 A CB -1.138 17.844 19.000 -0.031 0.000 0.810 114 A HN 0.163 8.180 8.150 -0.043 0.107 0.446 115 S N -1.291 114.379 115.700 -0.050 0.000 2.348 115 S HA -0.404 nan 4.470 nan 0.000 0.221 115 S C 2.199 176.777 174.600 -0.037 0.000 1.033 115 S CA 3.541 61.709 58.200 -0.053 0.000 1.010 115 S CB -0.195 62.972 63.200 -0.055 0.000 0.891 115 S HN -0.141 8.125 8.310 -0.051 0.013 0.442 116 E N 1.622 121.803 120.200 -0.032 0.000 2.118 116 E HA -0.325 nan 4.350 nan 0.000 0.195 116 E C 3.074 179.665 176.600 -0.015 0.000 0.992 116 E CA 2.810 59.197 56.400 -0.022 0.000 0.804 116 E CB -0.143 29.545 29.700 -0.020 0.000 0.741 116 E HN -0.713 7.626 8.360 -0.036 0.000 0.458 117 L N -1.401 119.814 121.223 -0.013 0.000 2.265 117 L HA -0.207 nan 4.340 nan 0.000 0.215 117 L C 0.904 177.768 176.870 -0.011 0.000 1.117 117 L CA 2.464 57.300 54.840 -0.007 0.000 0.782 117 L CB -0.070 41.988 42.059 -0.002 0.000 0.914 117 L HN -0.268 7.865 8.230 -0.017 0.086 0.441 118 L N -3.904 117.308 121.223 -0.019 0.000 2.629 118 L HA 0.144 nan 4.340 nan 0.000 0.230 118 L C 0.208 177.068 176.870 -0.018 0.000 1.151 118 L CA -0.679 54.148 54.840 -0.021 0.000 0.924 118 L CB -0.137 41.903 42.059 -0.032 0.000 1.137 118 L HN -0.531 7.527 8.230 -0.024 0.158 0.457 119 G N -1.949 106.842 108.800 -0.015 0.000 2.159 119 G HA2 -0.387 nan 3.960 nan 0.000 0.256 119 G HA3 -0.387 nan 3.960 nan 0.000 0.256 119 G C 0.018 174.909 174.900 -0.015 0.000 0.977 119 G CA 0.218 45.310 45.100 -0.013 0.000 0.652 119 G HN -0.026 8.057 8.290 -0.014 0.199 0.531 120 G N -0.965 107.823 108.800 -0.020 0.000 2.543 120 G HA2 0.473 nan 3.960 nan 0.000 0.267 120 G HA3 0.473 nan 3.960 nan 0.000 0.267 120 G C -2.376 172.512 174.900 -0.020 0.000 1.406 120 G CA -1.186 43.901 45.100 -0.021 0.000 1.048 120 G HN -0.293 7.929 8.290 -0.023 0.055 0.548 121 V N -1.089 118.813 119.914 -0.020 0.000 3.074 121 V HA 0.520 nan 4.120 nan 0.000 0.314 121 V C -1.596 174.483 176.094 -0.025 0.000 1.117 121 V CA -3.250 59.037 62.300 -0.022 0.000 1.014 121 V CB 3.909 35.721 31.823 -0.018 0.000 1.057 121 V HN 0.262 8.441 8.190 -0.019 0.000 0.438 122 R N 1.957 122.438 120.500 -0.033 0.000 2.528 122 R HA 0.475 nan 4.340 nan 0.000 0.271 122 R C 0.268 176.550 176.300 -0.029 0.000 1.056 122 R CA -0.484 55.593 56.100 -0.038 0.000 1.117 122 R CB 0.843 31.107 30.300 -0.060 0.000 1.085 122 R HN 0.471 8.719 8.270 -0.036 0.000 0.530 123 G N 1.260 110.048 108.800 -0.020 0.000 2.466 123 G HA2 -0.231 nan 3.960 nan 0.000 0.316 123 G HA3 -0.231 nan 3.960 nan 0.000 0.316 123 G C -0.018 174.890 174.900 0.015 0.000 1.270 123 G CA -0.521 44.573 45.100 -0.010 0.000 0.982 123 G HN 0.114 8.730 8.290 -0.018 -0.337 0.506 124 M N 0.172 119.782 119.600 0.016 0.000 2.629 124 M HA -0.209 nan 4.480 nan 0.000 0.257 124 M C 0.297 176.622 176.300 0.042 0.000 1.071 124 M CA 0.389 55.706 55.300 0.028 0.000 1.077 124 M CB -0.746 31.863 32.600 0.015 0.000 1.423 124 M HN 0.689 8.982 8.290 0.006 0.000 0.508 125 E N -3.579 116.642 120.200 0.034 0.000 2.585 125 E HA 0.093 nan 4.350 nan 0.000 0.206 125 E C -0.169 176.455 176.600 0.040 0.000 1.007 125 E CA -1.446 54.978 56.400 0.040 0.000 1.028 125 E CB -0.203 29.509 29.700 0.020 0.000 1.087 125 E HN -0.007 8.294 8.360 0.021 0.071 0.455 126 R N -1.482 119.048 120.500 0.050 0.000 2.594 126 R HA -0.027 nan 4.340 nan 0.000 0.272 126 R C -0.030 176.251 176.300 -0.032 0.000 1.074 126 R CA 0.048 56.154 56.100 0.009 0.000 1.105 126 R CB 0.679 30.985 30.300 0.009 0.000 1.008 126 R HN -0.436 7.792 8.270 0.069 0.083 0.472 127 K N -0.760 119.582 120.400 -0.095 0.000 2.243 127 K HA -0.095 nan 4.320 nan 0.000 0.201 127 K C -1.109 175.275 176.600 -0.360 0.000 1.051 127 K CA 2.029 58.221 56.287 -0.159 0.000 0.970 127 K CB 0.511 32.955 32.500 -0.093 0.000 0.755 127 K HN 0.388 8.595 8.250 -0.072 0.000 0.465 128 V N -2.878 116.837 119.914 -0.332 0.000 2.513 128 V HA 0.182 nan 4.120 nan 0.000 0.299 128 V C -0.431 175.437 176.094 -0.377 0.000 1.035 128 V CA -1.671 60.415 62.300 -0.356 0.000 0.889 128 V CB 1.309 33.041 31.823 -0.151 0.000 0.988 128 V HN -0.439 7.598 8.190 -0.208 0.029 0.440 129 H N 6.834 125.905 119.070 0.002 0.000 2.457 129 H HA 0.519 nan 4.556 nan 0.000 0.335 129 H C -1.092 174.241 175.328 0.008 0.000 1.115 129 H CA -2.748 53.302 56.048 0.004 0.000 1.219 129 H CB 0.822 30.585 29.762 0.002 0.000 1.471 129 H HN 0.348 8.782 8.280 -0.283 -0.323 0.491 130 P HA -0.298 nan 4.420 nan 0.000 0.213 130 P C 0.563 177.906 177.300 0.071 0.000 1.170 130 P CA 3.072 66.221 63.100 0.082 0.000 0.902 130 P CB 0.305 32.049 31.700 0.074 0.000 0.789 131 N N -3.053 115.688 118.700 0.069 0.000 2.132 131 N HA -0.255 nan 4.740 nan 0.000 0.187 131 N C 1.791 177.330 175.510 0.047 0.000 1.038 131 N CA 3.360 56.437 53.050 0.046 0.000 0.846 131 N CB -0.479 38.024 38.487 0.027 0.000 1.012 131 N HN 0.167 8.593 8.380 0.076 0.000 0.429 132 D N -1.161 119.279 120.400 0.067 0.000 2.149 132 D HA -0.213 nan 4.640 nan 0.000 0.198 132 D C 1.055 177.393 176.300 0.064 0.000 0.990 132 D CA 3.341 57.380 54.000 0.065 0.000 0.839 132 D CB -0.385 40.467 40.800 0.087 0.000 0.948 132 D HN 0.117 8.533 8.370 0.076 0.000 0.460 133 D N -1.069 119.378 120.400 0.077 0.000 2.652 133 D HA 0.105 nan 4.640 nan 0.000 0.261 133 D C 2.935 179.251 176.300 0.027 0.000 1.024 133 D CA 2.412 56.436 54.000 0.039 0.000 0.958 133 D CB 1.118 41.925 40.800 0.011 0.000 1.113 133 D HN -0.452 7.965 8.370 0.108 0.018 0.471 134 V N 0.470 120.404 119.914 0.033 0.000 2.515 134 V HA -0.269 nan 4.120 nan 0.000 0.250 134 V C 1.211 177.328 176.094 0.037 0.000 1.058 134 V CA 3.372 65.692 62.300 0.033 0.000 1.064 134 V CB -0.309 31.537 31.823 0.038 0.000 0.675 134 V HN -0.209 8.007 8.190 0.044 0.000 0.461 135 N N -3.153 115.568 118.700 0.035 0.000 2.268 135 N HA 0.023 nan 4.740 nan 0.000 0.204 135 N C -1.300 174.216 175.510 0.009 0.000 1.124 135 N CA -0.805 52.263 53.050 0.030 0.000 0.838 135 N CB 0.860 39.365 38.487 0.030 0.000 0.994 135 N HN -0.453 7.951 8.380 0.039 0.000 0.489 136 K N 1.064 121.465 120.400 0.003 0.000 2.484 136 K HA -0.237 nan 4.320 nan 0.000 0.280 136 K C -0.791 175.754 176.600 -0.092 0.000 1.013 136 K CA 1.675 57.943 56.287 -0.032 0.000 1.029 136 K CB 0.107 32.594 32.500 -0.021 0.000 0.902 136 K HN -0.897 7.175 8.250 0.015 0.187 0.481 137 S N -0.685 114.920 115.700 -0.159 0.000 3.261 137 S HA -0.388 nan 4.470 nan 0.000 0.287 137 S C -0.860 173.579 174.600 -0.269 0.000 1.281 137 S CA 1.450 59.444 58.200 -0.344 0.000 1.053 137 S CB -0.663 62.105 63.200 -0.721 0.000 1.251 137 S HN 0.466 8.707 8.310 -0.115 0.000 0.659 138 Q N -2.412 117.336 119.800 -0.086 0.000 2.572 138 Q HA 0.499 nan 4.340 nan 0.000 0.284 138 Q C -1.799 174.202 176.000 0.002 0.000 1.091 138 Q CA -1.124 54.681 55.803 0.003 0.000 0.840 138 Q CB 3.842 32.612 28.738 0.052 0.000 1.433 138 Q HN -0.534 7.645 8.270 -0.067 0.051 0.471 139 S N -2.326 113.388 115.700 0.022 0.000 2.537 139 S HA 0.385 nan 4.470 nan 0.000 0.270 139 S C -0.134 174.482 174.600 0.028 0.000 1.142 139 S CA -2.086 56.124 58.200 0.017 0.000 0.870 139 S CB 1.213 64.420 63.200 0.012 0.000 1.112 139 S HN 0.032 8.528 8.310 0.038 -0.162 0.466 140 S N 5.537 121.250 115.700 0.022 0.000 2.399 140 S HA -0.340 nan 4.470 nan 0.000 0.231 140 S C 1.922 176.545 174.600 0.039 0.000 1.022 140 S CA 3.422 61.640 58.200 0.029 0.000 0.983 140 S CB -0.179 63.019 63.200 -0.004 0.000 0.803 140 S HN 0.642 8.960 8.310 0.013 0.000 0.480 141 N N -0.982 117.732 118.700 0.024 0.000 2.166 141 N HA -0.268 nan 4.740 nan 0.000 0.186 141 N C 0.578 176.106 175.510 0.030 0.000 1.019 141 N CA 2.527 55.593 53.050 0.026 0.000 0.856 141 N CB -0.219 38.281 38.487 0.021 0.000 0.993 141 N HN -0.415 7.956 8.380 0.016 0.019 0.426 142 D N -4.392 116.021 120.400 0.022 0.000 2.389 142 D HA -0.005 nan 4.640 nan 0.000 0.206 142 D C 0.562 176.863 176.300 0.001 0.000 1.055 142 D CA 0.152 54.153 54.000 0.002 0.000 0.856 142 D CB 0.695 41.493 40.800 -0.003 0.000 0.957 142 D HN -0.621 7.665 8.370 0.025 0.098 0.509 143 V N -1.461 118.473 119.914 0.034 0.000 2.302 143 V HA -0.190 nan 4.120 nan 0.000 0.243 143 V C 1.567 177.673 176.094 0.020 0.000 1.036 143 V CA 3.912 66.228 62.300 0.027 0.000 1.020 143 V CB -0.249 31.607 31.823 0.055 0.000 0.657 143 V HN -0.199 7.927 8.190 0.049 0.093 0.453 144 F N -0.323 119.588 119.950 -0.066 0.000 2.095 144 F HA -0.196 nan 4.527 nan 0.000 0.298 144 F C -1.547 174.195 175.800 -0.096 0.000 1.104 144 F CA 5.915 63.870 58.000 -0.074 0.000 1.232 144 F CB -2.553 36.406 39.000 -0.068 0.000 0.987 144 F HN -0.566 7.867 8.300 0.221 0.000 0.475 145 P HA -0.218 nan 4.420 nan 0.000 0.216 145 P C 1.435 178.542 177.300 -0.321 0.000 1.150 145 P CA 3.407 66.404 63.100 -0.171 0.000 0.837 145 P CB -0.484 31.134 31.700 -0.138 0.000 0.786 146 T N -0.207 114.200 114.554 -0.245 0.000 2.708 146 T HA -0.259 nan 4.350 nan 0.000 0.266 146 T C 1.672 176.223 174.700 -0.247 0.000 1.037 146 T CA 5.155 67.108 62.100 -0.245 0.000 1.146 146 T CB -0.603 68.153 68.868 -0.187 0.000 0.865 146 T HN -0.700 7.434 8.240 -0.167 0.005 0.435 147 A N 1.307 123.963 122.820 -0.274 0.000 1.933 147 A HA -0.279 nan 4.320 nan 0.000 0.218 147 A C 1.859 179.263 177.584 -0.300 0.000 1.175 147 A CA 3.220 55.078 52.037 -0.298 0.000 0.628 147 A CB -0.987 17.795 19.000 -0.364 0.000 0.814 147 A HN 0.029 8.023 8.150 -0.261 0.000 0.444 148 M N -1.646 117.735 119.600 -0.364 0.000 2.086 148 M HA -0.524 nan 4.480 nan 0.000 0.261 148 M C 2.375 178.663 176.300 -0.019 0.000 1.067 148 M CA 4.454 59.611 55.300 -0.237 0.000 1.116 148 M CB -0.050 32.426 32.600 -0.205 0.000 1.348 148 M HN 0.048 7.980 8.290 -0.445 0.091 0.407 149 H N -1.273 117.695 119.070 -0.171 0.000 2.389 149 H HA -0.156 nan 4.556 nan 0.000 0.299 149 H C 2.549 177.910 175.328 0.056 0.000 1.081 149 H CA 2.990 58.995 56.048 -0.070 0.000 1.345 149 H CB -0.678 29.073 29.762 -0.018 0.000 1.393 149 H HN -0.466 7.803 8.280 -0.018 0.000 0.520 150 V N -0.049 119.902 119.914 0.061 0.000 2.295 150 V HA -0.450 nan 4.120 nan 0.000 0.246 150 V C 1.765 177.939 176.094 0.135 0.000 1.049 150 V CA 4.731 67.049 62.300 0.030 0.000 1.024 150 V CB -1.171 30.502 31.823 -0.250 0.000 0.648 150 V HN 0.078 8.237 8.190 -0.052 0.000 0.447 151 A N -1.692 121.144 122.820 0.027 0.000 1.877 151 A HA -0.360 nan 4.320 nan 0.000 0.216 151 A C 1.726 179.359 177.584 0.081 0.000 1.186 151 A CA 3.397 55.454 52.037 0.033 0.000 0.620 151 A CB -0.825 18.158 19.000 -0.028 0.000 0.822 151 A HN -0.059 8.068 8.150 -0.039 0.000 0.443 152 A N -1.052 121.804 122.820 0.060 0.000 1.865 152 A HA -0.273 nan 4.320 nan 0.000 0.217 152 A C 1.853 179.507 177.584 0.118 0.000 1.191 152 A CA 2.971 55.063 52.037 0.092 0.000 0.623 152 A CB -0.692 18.169 19.000 -0.232 0.000 0.826 152 A HN -0.119 8.039 8.150 0.013 0.000 0.444 153 L N -1.569 119.706 121.223 0.087 0.000 2.046 153 L HA -0.286 nan 4.340 nan 0.000 0.208 153 L C 1.860 178.759 176.870 0.048 0.000 1.077 153 L CA 2.985 57.852 54.840 0.044 0.000 0.747 153 L CB -0.125 41.924 42.059 -0.017 0.000 0.896 153 L HN -0.128 8.170 8.230 0.114 0.000 0.432 154 L N -2.249 119.041 121.223 0.112 0.000 2.046 154 L HA -0.479 nan 4.340 nan 0.000 0.208 154 L C 1.916 178.822 176.870 0.059 0.000 1.077 154 L CA 3.338 58.229 54.840 0.085 0.000 0.747 154 L CB -0.947 41.186 42.059 0.123 0.000 0.896 154 L HN -0.321 8.017 8.230 0.180 0.000 0.432 155 A N -0.484 122.380 122.820 0.074 0.000 1.902 155 A HA -0.322 nan 4.320 nan 0.000 0.217 155 A C 2.024 179.633 177.584 0.043 0.000 1.181 155 A CA 3.236 55.308 52.037 0.058 0.000 0.623 155 A CB -0.892 18.156 19.000 0.079 0.000 0.818 155 A HN 0.049 8.256 8.150 0.094 0.000 0.443 156 L N -2.710 118.551 121.223 0.063 0.000 2.027 156 L HA -0.451 nan 4.340 nan 0.000 0.206 156 L C 2.434 179.307 176.870 0.004 0.000 1.074 156 L CA 3.237 58.099 54.840 0.036 0.000 0.745 156 L CB -0.310 41.788 42.059 0.066 0.000 0.898 156 L HN -0.178 8.109 8.230 0.095 0.000 0.433 157 R N -2.413 118.086 120.500 -0.002 0.000 2.073 157 R HA -0.275 nan 4.340 nan 0.000 0.229 157 R C 1.818 178.110 176.300 -0.012 0.000 1.120 157 R CA 3.193 59.282 56.100 -0.020 0.000 0.967 157 R CB 0.096 30.372 30.300 -0.040 0.000 0.862 157 R HN -0.072 8.202 8.270 0.007 0.000 0.436 158 K N -4.183 116.217 120.400 0.000 0.000 2.323 158 K HA -0.041 nan 4.320 nan 0.000 0.197 158 K C 1.370 177.971 176.600 0.001 0.000 1.043 158 K CA 1.560 57.849 56.287 0.003 0.000 0.997 158 K CB 0.401 32.910 32.500 0.015 0.000 0.807 158 K HN -0.068 8.078 8.250 0.009 0.110 0.497 159 Q N -1.771 118.030 119.800 0.000 0.000 2.525 159 Q HA 0.025 nan 4.340 nan 0.000 0.203 159 Q C 1.620 177.611 176.000 -0.015 0.000 0.947 159 Q CA 1.797 57.596 55.803 -0.006 0.000 0.881 159 Q CB 1.458 30.193 28.738 -0.005 0.000 1.049 159 Q HN -0.439 7.833 8.270 0.003 0.000 0.600 160 L N 1.176 122.386 121.223 -0.021 0.000 1.955 160 L HA -0.294 nan 4.340 nan 0.000 0.213 160 L C 1.905 178.757 176.870 -0.030 0.000 1.072 160 L CA 3.066 57.886 54.840 -0.033 0.000 0.755 160 L CB -0.263 41.768 42.059 -0.046 0.000 0.888 160 L HN -0.467 7.754 8.230 -0.015 0.000 0.432 161 I N -2.059 118.495 120.570 -0.027 0.000 2.118 161 I HA -0.415 nan 4.170 nan 0.000 0.241 161 I C -1.083 175.019 176.117 -0.025 0.000 1.070 161 I CA 6.145 67.427 61.300 -0.029 0.000 1.327 161 I CB -2.849 35.131 38.000 -0.033 0.000 1.034 161 I HN 0.005 8.200 8.210 -0.024 0.000 0.405 162 P HA -0.228 nan 4.420 nan 0.000 0.215 162 P C 1.869 179.160 177.300 -0.014 0.000 1.153 162 P CA 3.023 66.113 63.100 -0.017 0.000 0.853 162 P CB -0.489 31.202 31.700 -0.014 0.000 0.788 163 Q N -2.790 117.002 119.800 -0.013 0.000 2.119 163 Q HA -0.250 nan 4.340 nan 0.000 0.201 163 Q C 2.679 178.677 176.000 -0.003 0.000 0.972 163 Q CA 2.370 58.169 55.803 -0.008 0.000 0.847 163 Q CB -0.720 28.012 28.738 -0.009 0.000 0.903 163 Q HN -0.616 7.645 8.270 -0.015 0.000 0.433 164 L N 0.987 122.203 121.223 -0.010 0.000 2.027 164 L HA -0.326 nan 4.340 nan 0.000 0.206 164 L C 1.450 178.320 176.870 0.001 0.000 1.074 164 L CA 3.084 57.920 54.840 -0.007 0.000 0.745 164 L CB -0.365 41.683 42.059 -0.019 0.000 0.898 164 L HN 0.039 8.161 8.230 -0.017 0.098 0.433 165 K N -1.627 118.768 120.400 -0.008 0.000 2.057 165 K HA -0.412 nan 4.320 nan 0.000 0.207 165 K C 2.478 179.077 176.600 -0.000 0.000 1.049 165 K CA 3.942 60.224 56.287 -0.008 0.000 0.931 165 K CB -0.333 32.156 32.500 -0.018 0.000 0.714 165 K HN 0.185 8.426 8.250 -0.015 0.000 0.440 166 T N 2.866 117.419 114.554 -0.000 0.000 2.708 166 T HA -0.211 nan 4.350 nan 0.000 0.266 166 T C 1.940 176.649 174.700 0.016 0.000 1.037 166 T CA 4.702 66.803 62.100 0.001 0.000 1.146 166 T CB -0.437 68.428 68.868 -0.005 0.000 0.865 166 T HN -0.259 7.979 8.240 -0.004 0.000 0.435 167 L N 0.190 121.432 121.223 0.032 0.000 2.046 167 L HA -0.340 nan 4.340 nan 0.000 0.208 167 L C 1.349 178.264 176.870 0.075 0.000 1.077 167 L CA 3.339 58.219 54.840 0.067 0.000 0.747 167 L CB -0.377 41.740 42.059 0.097 0.000 0.896 167 L HN -0.201 8.044 8.230 0.026 0.000 0.432 168 T N 1.851 116.438 114.554 0.056 0.000 2.720 168 T HA -0.451 nan 4.350 nan 0.000 0.268 168 T C 2.045 176.772 174.700 0.044 0.000 1.037 168 T CA 5.001 67.136 62.100 0.059 0.000 1.144 168 T CB -0.668 68.221 68.868 0.034 0.000 0.864 168 T HN -0.070 8.195 8.240 0.041 0.000 0.444 169 Q N 1.244 121.058 119.800 0.022 0.000 2.050 169 Q HA -0.396 nan 4.340 nan 0.000 0.202 169 Q C 2.023 178.027 176.000 0.007 0.000 0.980 169 Q CA 3.760 59.567 55.803 0.006 0.000 0.840 169 Q CB -0.102 28.633 28.738 -0.004 0.000 0.898 169 Q HN -0.108 8.096 8.270 0.018 0.077 0.424 170 T N 3.342 117.906 114.554 0.016 0.000 2.684 170 T HA -0.287 nan 4.350 nan 0.000 0.267 170 T C 2.377 177.095 174.700 0.029 0.000 1.036 170 T CA 5.081 67.188 62.100 0.012 0.000 1.148 170 T CB -0.472 68.404 68.868 0.013 0.000 0.863 170 T HN -0.203 8.050 8.240 0.022 0.000 0.436 171 L N 0.421 121.694 121.223 0.083 0.000 2.131 171 L HA -0.283 nan 4.340 nan 0.000 0.210 171 L C 1.540 178.443 176.870 0.054 0.000 1.092 171 L CA 2.211 57.132 54.840 0.134 0.000 0.759 171 L CB -1.276 40.931 42.059 0.247 0.000 0.903 171 L HN 0.023 8.309 8.230 0.093 0.000 0.435 172 N N -0.407 118.309 118.700 0.027 0.000 2.188 172 N HA -0.385 nan 4.740 nan 0.000 0.184 172 N C 2.060 177.534 175.510 -0.059 0.000 1.018 172 N CA 3.875 56.919 53.050 -0.011 0.000 0.858 172 N CB 0.174 38.657 38.487 -0.007 0.000 0.989 172 N HN 0.043 8.350 8.380 0.039 0.096 0.426 173 E N 0.258 120.418 120.200 -0.067 0.000 2.077 173 E HA -0.360 nan 4.350 nan 0.000 0.193 173 E C 2.542 179.012 176.600 -0.218 0.000 0.989 173 E CA 3.306 59.638 56.400 -0.113 0.000 0.800 173 E CB -0.118 29.528 29.700 -0.090 0.000 0.746 173 E HN -0.183 8.074 8.360 -0.039 0.080 0.452 174 K N -1.354 118.909 120.400 -0.228 0.000 2.057 174 K HA -0.260 nan 4.320 nan 0.000 0.207 174 K C 2.426 178.723 176.600 -0.504 0.000 1.049 174 K CA 2.426 58.436 56.287 -0.461 0.000 0.931 174 K CB -0.578 31.831 32.500 -0.152 0.000 0.714 174 K HN -0.347 7.831 8.250 -0.121 0.000 0.440 175 S N -0.515 115.056 115.700 -0.215 0.000 2.359 175 S HA -0.247 nan 4.470 nan 0.000 0.224 175 S C 1.983 176.494 174.600 -0.149 0.000 1.035 175 S CA 2.584 60.699 58.200 -0.141 0.000 1.018 175 S CB -0.077 63.072 63.200 -0.086 0.000 0.876 175 S HN 0.107 8.335 8.310 -0.137 0.000 0.448 176 R N -0.713 119.693 120.500 -0.157 0.000 2.092 176 R HA -0.139 nan 4.340 nan 0.000 0.231 176 R C 2.123 178.332 176.300 -0.153 0.000 1.119 176 R CA 2.539 58.566 56.100 -0.122 0.000 0.970 176 R CB 0.279 30.520 30.300 -0.098 0.000 0.864 176 R HN -0.472 7.706 8.270 -0.154 0.000 0.440 177 A N 0.367 123.006 122.820 -0.302 0.000 1.933 177 A HA -0.135 nan 4.320 nan 0.000 0.218 177 A C 1.016 178.515 177.584 -0.142 0.000 1.175 177 A CA 2.700 54.536 52.037 -0.335 0.000 0.628 177 A CB -0.131 18.496 19.000 -0.622 0.000 0.814 177 A HN -0.206 7.722 8.150 -0.371 0.000 0.444 178 F N -5.986 113.952 119.950 -0.019 0.000 2.668 178 F HA 0.233 nan 4.527 nan 0.000 0.297 178 F C 0.034 175.816 175.800 -0.031 0.000 1.124 178 F CA -3.640 54.346 58.000 -0.023 0.000 1.353 178 F CB -1.673 37.309 39.000 -0.030 0.000 0.992 178 F HN -0.449 7.581 8.300 -0.449 0.000 0.524 179 A N 0.379 123.253 122.820 0.089 0.000 2.024 179 A HA -0.318 nan 4.320 nan 0.000 0.220 179 A C 0.576 178.188 177.584 0.046 0.000 1.164 179 A CA 3.281 55.343 52.037 0.042 0.000 0.643 179 A CB -0.556 18.447 19.000 0.005 0.000 0.806 179 A HN -0.653 7.345 8.150 0.036 0.174 0.451 180 D N -5.694 114.744 120.400 0.063 0.000 2.349 180 D HA -0.068 nan 4.640 nan 0.000 0.214 180 D C -0.210 176.117 176.300 0.044 0.000 1.063 180 D CA -0.356 53.671 54.000 0.046 0.000 0.847 180 D CB 0.117 40.943 40.800 0.042 0.000 0.933 180 D HN 0.185 8.569 8.370 0.086 0.038 0.513 181 I N 2.235 122.840 120.570 0.057 0.000 2.308 181 I HA -0.025 nan 4.170 nan 0.000 0.293 181 I C -1.338 174.786 176.117 0.011 0.000 1.078 181 I CA -0.047 61.268 61.300 0.025 0.000 1.292 181 I CB -0.251 37.749 38.000 0.000 0.000 1.423 181 I HN -0.630 7.472 8.210 0.090 0.162 0.493 182 V N 8.517 128.436 119.914 0.008 0.000 2.530 182 V HA 0.173 nan 4.120 nan 0.000 0.282 182 V C -0.993 175.101 176.094 0.001 0.000 1.048 182 V CA -0.471 61.833 62.300 0.005 0.000 0.997 182 V CB -0.795 31.035 31.823 0.010 0.000 0.987 182 V HN 0.334 8.530 8.190 0.010 0.000 0.477 183 K N 3.407 123.807 120.400 -0.001 0.000 2.466 183 K HA 0.491 nan 4.320 nan 0.000 0.260 183 K C -1.751 174.853 176.600 0.006 0.000 1.011 183 K CA -3.118 53.169 56.287 0.001 0.000 0.871 183 K CB 3.512 36.008 32.500 -0.006 0.000 1.404 183 K HN 0.650 8.899 8.250 -0.002 0.000 0.450 184 I N 0.139 120.716 120.570 0.012 0.000 2.529 184 I HA -0.052 nan 4.170 nan 0.000 0.284 184 I C -0.313 175.810 176.117 0.011 0.000 1.082 184 I CA -0.677 60.631 61.300 0.014 0.000 1.406 184 I CB 0.891 38.902 38.000 0.018 0.000 1.405 184 I HN 0.421 8.639 8.210 0.013 0.000 0.548 185 G N 5.123 113.927 108.800 0.007 0.000 2.537 185 G HA2 0.208 nan 3.960 nan 0.000 0.273 185 G HA3 0.208 nan 3.960 nan 0.000 0.273 185 G C -2.333 172.569 174.900 0.004 0.000 1.189 185 G CA -0.946 44.157 45.100 0.005 0.000 0.881 185 G HN -0.305 7.989 8.290 0.007 0.000 0.535 186 R N -0.460 120.041 120.500 0.002 0.000 2.510 186 R HA 0.519 nan 4.340 nan 0.000 0.294 186 R C -1.100 175.191 176.300 -0.014 0.000 1.056 186 R CA -0.474 55.620 56.100 -0.010 0.000 0.918 186 R CB 3.034 33.325 30.300 -0.016 0.000 1.187 186 R HN 0.144 8.418 8.270 0.005 0.000 0.437 187 T N 0.285 114.827 114.554 -0.019 0.000 2.824 187 T HA 0.449 nan 4.350 nan 0.000 0.282 187 T C 0.046 174.728 174.700 -0.030 0.000 0.993 187 T CA -1.360 60.728 62.100 -0.020 0.000 0.967 187 T CB 1.987 70.847 68.868 -0.013 0.000 0.960 187 T HN 0.370 8.598 8.240 -0.019 0.000 0.441 188 N N 3.097 121.775 118.700 -0.037 0.000 2.741 188 N HA -0.376 nan 4.740 nan 0.000 0.251 188 N C -0.363 175.109 175.510 -0.062 0.000 1.112 188 N CA 1.015 54.038 53.050 -0.044 0.000 0.750 188 N CB -1.112 37.356 38.487 -0.032 0.000 1.119 188 N HN 0.868 9.228 8.380 -0.033 0.000 0.561 189 L N -11.030 110.146 121.223 -0.078 0.000 5.081 189 L HA -0.471 nan 4.340 nan 0.000 0.423 189 L C -1.107 175.721 176.870 -0.070 0.000 1.019 189 L CA 1.503 56.280 54.840 -0.106 0.000 1.223 189 L CB -1.434 40.538 42.059 -0.146 0.000 1.940 189 L HN -0.254 7.885 8.230 -0.070 0.048 0.675 190 Q N -1.737 118.036 119.800 -0.047 0.000 2.214 190 Q HA 0.192 nan 4.340 nan 0.000 0.251 190 Q C -0.465 175.523 176.000 -0.021 0.000 0.936 190 Q CA -1.642 54.143 55.803 -0.030 0.000 0.894 190 Q CB 1.357 30.079 28.738 -0.026 0.000 1.252 190 Q HN -0.384 7.673 8.270 -0.044 0.187 0.448 191 D N 0.936 121.329 120.400 -0.011 0.000 2.488 191 D HA 0.009 nan 4.640 nan 0.000 0.238 191 D C -0.984 175.313 176.300 -0.005 0.000 1.138 191 D CA 1.171 55.169 54.000 -0.003 0.000 0.873 191 D CB 0.009 40.812 40.800 0.006 0.000 1.183 191 D HN 0.105 8.469 8.370 -0.010 0.000 0.458 192 A N 3.568 126.387 122.820 -0.001 0.000 2.504 192 A HA 0.302 nan 4.320 nan 0.000 0.285 192 A C -1.214 176.372 177.584 0.003 0.000 1.261 192 A CA -1.613 50.423 52.037 -0.001 0.000 0.741 192 A CB 2.802 21.800 19.000 -0.004 0.000 1.327 192 A HN 0.456 8.535 8.150 0.002 0.072 0.441 193 T N -0.100 114.456 114.554 0.003 0.000 2.946 193 T HA 0.057 nan 4.350 nan 0.000 0.311 193 T C -1.564 173.138 174.700 0.004 0.000 1.063 193 T CA -1.885 60.218 62.100 0.005 0.000 1.139 193 T CB -0.296 68.574 68.868 0.003 0.000 0.994 193 T HN 0.278 8.519 8.240 0.001 0.000 0.547 194 P HA 0.346 nan 4.420 nan 0.000 0.270 194 P C -1.999 175.301 177.300 0.000 0.000 1.223 194 P CA -0.420 62.683 63.100 0.005 0.000 0.785 194 P CB 0.498 32.203 31.700 0.008 0.000 0.923 195 L N -4.379 116.843 121.223 -0.003 0.000 2.622 195 L HA 0.567 nan 4.340 nan 0.000 0.258 195 L C -1.991 174.872 176.870 -0.011 0.000 0.996 195 L CA -1.061 53.773 54.840 -0.009 0.000 0.858 195 L CB 3.577 45.626 42.059 -0.016 0.000 1.449 195 L HN 0.414 8.643 8.230 -0.002 0.000 0.411 196 T N -3.537 111.009 114.554 -0.013 0.000 2.882 196 T HA 0.352 nan 4.350 nan 0.000 0.287 196 T C 0.962 175.649 174.700 -0.021 0.000 1.014 196 T CA -0.844 61.252 62.100 -0.007 0.000 1.049 196 T CB 1.826 70.698 68.868 0.006 0.000 1.001 196 T HN -0.119 8.113 8.240 -0.014 0.000 0.525 197 L N 2.644 123.865 121.223 -0.004 0.000 2.083 197 L HA -0.153 nan 4.340 nan 0.000 0.209 197 L C 1.289 178.149 176.870 -0.017 0.000 1.083 197 L CA 2.662 57.493 54.840 -0.016 0.000 0.752 197 L CB -0.393 41.664 42.059 -0.003 0.000 0.899 197 L HN 0.818 8.953 8.230 0.010 0.101 0.433 198 G N -2.834 105.990 108.800 0.040 0.000 2.422 198 G HA2 -0.404 nan 3.960 nan 0.000 0.218 198 G HA3 -0.404 nan 3.960 nan 0.000 0.218 198 G C 1.266 176.121 174.900 -0.075 0.000 1.146 198 G CA 2.027 47.126 45.100 -0.001 0.000 0.769 198 G HN -0.368 7.958 8.290 0.071 0.006 0.547 199 Q N 0.889 120.648 119.800 -0.068 0.000 2.079 199 Q HA -0.354 nan 4.340 nan 0.000 0.200 199 Q C 2.125 178.039 176.000 -0.143 0.000 0.974 199 Q CA 3.073 58.829 55.803 -0.080 0.000 0.840 199 Q CB -0.156 28.553 28.738 -0.049 0.000 0.898 199 Q HN -0.340 7.811 8.270 -0.043 0.094 0.430 200 E N 0.490 120.576 120.200 -0.189 0.000 2.077 200 E HA -0.290 nan 4.350 nan 0.000 0.193 200 E C 2.659 178.863 176.600 -0.659 0.000 0.989 200 E CA 2.916 59.132 56.400 -0.308 0.000 0.800 200 E CB -0.039 29.506 29.700 -0.259 0.000 0.746 200 E HN -0.625 7.648 8.360 -0.145 0.000 0.452 201 I N -1.729 118.421 120.570 -0.699 0.000 2.394 201 I HA -0.400 nan 4.170 nan 0.000 0.251 201 I C 1.641 177.533 176.117 -0.375 0.000 1.136 201 I CA 3.225 63.992 61.300 -0.889 0.000 1.425 201 I CB -0.122 37.600 38.000 -0.463 0.000 1.079 201 I HN -0.071 7.868 8.210 -0.452 0.000 0.425 202 S N -0.092 115.478 115.700 -0.217 0.000 2.442 202 S HA -0.263 nan 4.470 nan 0.000 0.236 202 S C 2.441 177.028 174.600 -0.022 0.000 1.007 202 S CA 3.225 61.379 58.200 -0.077 0.000 0.965 202 S CB -0.613 62.554 63.200 -0.055 0.000 0.773 202 S HN -0.064 7.992 8.310 -0.225 0.118 0.504 203 G N 1.306 110.061 108.800 -0.074 0.000 2.408 203 G HA2 -0.164 nan 3.960 nan 0.000 0.217 203 G HA3 -0.164 nan 3.960 nan 0.000 0.217 203 G C 0.804 175.827 174.900 0.205 0.000 1.150 203 G CA 1.868 46.994 45.100 0.044 0.000 0.776 203 G HN -0.326 7.706 8.290 -0.198 0.139 0.542 204 W N 0.956 122.292 121.300 0.060 0.000 2.381 204 W HA -0.105 nan 4.660 nan 0.000 0.301 204 W C 2.395 178.950 176.519 0.061 0.000 1.205 204 W CA 0.776 58.158 57.345 0.062 0.000 1.285 204 W CB -0.938 28.569 29.460 0.078 0.000 1.133 204 W HN -0.787 7.262 8.180 -0.062 0.094 0.521 205 V N -0.154 119.922 119.914 0.271 0.000 2.295 205 V HA -0.522 nan 4.120 nan 0.000 0.246 205 V C 1.969 178.147 176.094 0.140 0.000 1.049 205 V CA 4.598 66.997 62.300 0.165 0.000 1.024 205 V CB -1.258 30.622 31.823 0.094 0.000 0.648 205 V HN -0.100 8.153 8.190 0.227 0.073 0.447 206 A N -1.555 121.353 122.820 0.147 0.000 1.933 206 A HA -0.359 nan 4.320 nan 0.000 0.218 206 A C 2.282 180.045 177.584 0.298 0.000 1.175 206 A CA 3.242 55.394 52.037 0.192 0.000 0.628 206 A CB -0.726 18.394 19.000 0.199 0.000 0.814 206 A HN -0.042 8.188 8.150 0.134 0.000 0.444 207 M N -1.036 118.703 119.600 0.231 0.000 2.086 207 M HA -0.442 nan 4.480 nan 0.000 0.261 207 M C 2.178 178.582 176.300 0.174 0.000 1.067 207 M CA 4.176 59.593 55.300 0.195 0.000 1.116 207 M CB -0.065 32.627 32.600 0.152 0.000 1.348 207 M HN -0.322 8.009 8.290 0.217 0.090 0.407 208 L N -2.019 119.286 121.223 0.138 0.000 2.093 208 L HA -0.410 nan 4.340 nan 0.000 0.208 208 L C 2.289 179.198 176.870 0.065 0.000 1.085 208 L CA 2.906 57.798 54.840 0.088 0.000 0.755 208 L CB -0.820 41.286 42.059 0.078 0.000 0.904 208 L HN -0.217 8.107 8.230 0.157 0.000 0.435 209 E N -0.791 119.443 120.200 0.056 0.000 2.106 209 E HA -0.369 nan 4.350 nan 0.000 0.192 209 E C 2.984 179.544 176.600 -0.065 0.000 0.984 209 E CA 3.308 59.690 56.400 -0.030 0.000 0.806 209 E CB -0.270 29.385 29.700 -0.075 0.000 0.750 209 E HN 0.130 8.543 8.360 0.087 0.000 0.458 210 H N 0.390 119.472 119.070 0.021 0.000 2.357 210 H HA -0.217 nan 4.556 nan 0.000 0.301 210 H C 2.392 177.776 175.328 0.093 0.000 1.082 210 H CA 4.281 60.350 56.048 0.035 0.000 1.342 210 H CB -0.064 29.762 29.762 0.107 0.000 1.389 210 H HN -0.209 8.175 8.280 0.193 0.012 0.511 211 N N -0.175 118.662 118.700 0.228 0.000 2.166 211 N HA -0.319 nan 4.740 nan 0.000 0.186 211 N C 2.090 177.640 175.510 0.068 0.000 1.019 211 N CA 3.393 56.548 53.050 0.174 0.000 0.856 211 N CB 0.127 38.663 38.487 0.081 0.000 0.993 211 N HN -0.172 8.256 8.380 0.205 0.074 0.426 212 L N 0.456 121.676 121.223 -0.005 0.000 2.012 212 L HA -0.336 nan 4.340 nan 0.000 0.210 212 L C 1.234 178.004 176.870 -0.166 0.000 1.073 212 L CA 3.593 58.390 54.840 -0.071 0.000 0.748 212 L CB -0.214 41.799 42.059 -0.077 0.000 0.891 212 L HN -0.042 8.194 8.230 0.010 0.000 0.431 213 K N -1.878 118.368 120.400 -0.257 0.000 2.057 213 K HA -0.399 nan 4.320 nan 0.000 0.207 213 K C 2.472 178.621 176.600 -0.751 0.000 1.049 213 K CA 3.815 59.766 56.287 -0.560 0.000 0.931 213 K CB -0.470 31.699 32.500 -0.551 0.000 0.714 213 K HN -0.647 7.487 8.250 -0.193 0.000 0.440 214 H N -0.486 118.433 119.070 -0.251 0.000 2.353 214 H HA -0.242 nan 4.556 nan 0.000 0.300 214 H C 2.667 177.960 175.328 -0.058 0.000 1.090 214 H CA 3.676 59.691 56.048 -0.056 0.000 1.327 214 H CB 0.143 29.933 29.762 0.047 0.000 1.383 214 H HN -0.652 7.517 8.280 -0.184 0.000 0.508 215 I N -0.736 119.850 120.570 0.028 0.000 2.226 215 I HA -0.493 nan 4.170 nan 0.000 0.245 215 I C 2.567 178.666 176.117 -0.029 0.000 1.100 215 I CA 3.780 65.085 61.300 0.008 0.000 1.374 215 I CB -0.146 37.844 38.000 -0.018 0.000 1.057 215 I HN -0.028 8.193 8.210 0.018 0.000 0.413 216 E N 0.445 120.561 120.200 -0.141 0.000 2.110 216 E HA -0.328 nan 4.350 nan 0.000 0.193 216 E C 2.986 179.568 176.600 -0.029 0.000 0.988 216 E CA 3.151 59.468 56.400 -0.138 0.000 0.804 216 E CB -0.239 29.317 29.700 -0.240 0.000 0.745 216 E HN -0.176 7.984 8.360 -0.210 0.075 0.458 217 Y N -3.193 117.117 120.300 0.017 0.000 2.403 217 Y HA -0.200 nan 4.550 nan 0.000 0.291 217 Y C 1.046 176.974 175.900 0.048 0.000 1.143 217 Y CA 0.840 58.956 58.100 0.026 0.000 1.257 217 Y CB -0.841 37.641 38.460 0.037 0.000 0.984 217 Y HN -0.225 7.870 8.280 -0.308 0.000 0.550 218 S N -1.971 113.845 115.700 0.194 0.000 2.501 218 S HA -0.068 nan 4.470 nan 0.000 0.220 218 S C 1.483 176.141 174.600 0.097 0.000 0.997 218 S CA 1.341 59.630 58.200 0.148 0.000 0.919 218 S CB 0.800 64.078 63.200 0.131 0.000 0.778 218 S HN -0.568 7.685 8.310 0.150 0.148 0.523 219 L N 1.862 123.125 121.223 0.066 0.000 2.046 219 L HA -0.135 nan 4.340 nan 0.000 0.208 219 L C -0.602 176.278 176.870 0.017 0.000 1.077 219 L CA 4.231 59.081 54.840 0.016 0.000 0.747 219 L CB -2.542 39.508 42.059 -0.014 0.000 0.896 219 L HN -0.640 7.482 8.230 0.071 0.150 0.432 220 P HA -0.214 nan 4.420 nan 0.000 0.218 220 P C 0.837 178.201 177.300 0.106 0.000 1.148 220 P CA 2.723 65.853 63.100 0.050 0.000 0.822 220 P CB -0.658 31.070 31.700 0.046 0.000 0.784 221 H N -1.881 117.190 119.070 0.002 0.000 2.395 221 H HA -0.134 nan 4.556 nan 0.000 0.299 221 H C 2.443 177.749 175.328 -0.036 0.000 1.070 221 H CA 2.633 58.685 56.048 0.006 0.000 1.356 221 H CB -0.153 29.615 29.762 0.011 0.000 1.401 221 H HN -0.484 7.876 8.280 0.182 0.029 0.524 222 V N -0.909 118.979 119.914 -0.043 0.000 2.667 222 V HA -0.183 nan 4.120 nan 0.000 0.252 222 V C 0.941 177.003 176.094 -0.053 0.000 1.065 222 V CA 1.870 63.977 62.300 -0.322 0.000 1.083 222 V CB -1.043 30.595 31.823 -0.308 0.000 0.692 222 V HN -0.197 7.994 8.190 0.002 0.000 0.468 223 A N -3.024 119.826 122.820 0.050 0.000 2.172 223 A HA -0.118 nan 4.320 nan 0.000 0.216 223 A C -0.634 177.123 177.584 0.288 0.000 1.154 223 A CA 1.099 53.203 52.037 0.112 0.000 0.701 223 A CB 0.309 19.281 19.000 -0.047 0.000 0.789 223 A HN -0.398 7.640 8.150 0.026 0.128 0.465 224 E N -1.943 118.427 120.200 0.284 0.000 2.290 224 E HA 0.166 nan 4.350 nan 0.000 0.277 224 E C -0.882 175.878 176.600 0.267 0.000 1.035 224 E CA -0.034 56.523 56.400 0.261 0.000 0.873 224 E CB 0.325 30.180 29.700 0.258 0.000 1.029 224 E HN -0.793 7.563 8.360 0.268 0.164 0.419 225 L N 2.806 124.105 121.223 0.128 0.000 2.317 225 L HA 0.362 nan 4.340 nan 0.000 0.281 225 L C 0.095 176.929 176.870 -0.061 0.000 1.024 225 L CA -1.662 53.175 54.840 -0.006 0.000 0.810 225 L CB 1.759 43.784 42.059 -0.057 0.000 1.240 225 L HN 0.635 8.934 8.230 0.115 0.000 0.427 226 A N 4.127 126.870 122.820 -0.128 0.000 2.123 226 A HA 0.036 nan 4.320 nan 0.000 0.214 226 A C -0.220 177.316 177.584 -0.080 0.000 1.152 226 A CA 1.331 53.303 52.037 -0.108 0.000 0.728 226 A CB -0.020 18.900 19.000 -0.133 0.000 0.814 226 A HN 0.545 8.576 8.150 -0.198 0.000 0.464 227 L N -1.202 119.971 121.223 -0.083 0.000 2.628 227 L HA -0.459 nan 4.340 nan 0.000 0.274 227 L C -0.059 176.808 176.870 -0.005 0.000 1.209 227 L CA 1.804 56.618 54.840 -0.043 0.000 0.930 227 L CB -0.224 41.779 42.059 -0.093 0.000 1.183 227 L HN -0.679 7.434 8.230 -0.111 0.051 0.492 228 G N 4.805 113.674 108.800 0.114 0.000 2.284 228 G HA2 -0.252 nan 3.960 nan 0.000 0.201 228 G HA3 -0.252 nan 3.960 nan 0.000 0.201 228 G C 0.220 175.161 174.900 0.068 0.000 0.998 228 G CA 0.161 45.376 45.100 0.191 0.000 0.651 228 G HN 0.664 9.376 8.290 0.133 -0.343 0.489 229 G N 0.480 109.273 108.800 -0.012 0.000 2.650 229 G HA2 -0.063 nan 3.960 nan 0.000 0.214 229 G HA3 -0.063 nan 3.960 nan 0.000 0.214 229 G C -0.587 174.280 174.900 -0.056 0.000 1.136 229 G CA 0.254 45.301 45.100 -0.089 0.000 0.789 229 G HN -0.092 8.124 8.290 -0.017 0.064 0.536 230 T N -2.224 112.325 114.554 -0.008 0.000 10.310 230 T HA -0.533 nan 4.350 nan 0.000 0.612 230 T C 0.380 175.079 174.700 -0.001 0.000 1.249 230 T CA 1.579 63.679 62.100 -0.000 0.000 3.258 230 T CB -1.887 66.979 68.868 -0.004 0.000 2.548 230 T HN -0.518 7.911 8.240 0.016 -0.180 0.326 231 A N 3.093 125.917 122.820 0.007 0.000 1.865 231 A HA -0.188 nan 4.320 nan 0.000 0.217 231 A C 0.912 178.516 177.584 0.034 0.000 1.191 231 A CA 2.840 54.889 52.037 0.019 0.000 0.623 231 A CB 0.170 19.182 19.000 0.021 0.000 0.826 231 A HN 0.687 8.841 8.150 0.006 0.000 0.444 232 V N -9.088 110.854 119.914 0.047 0.000 3.346 232 V HA 0.432 nan 4.120 nan 0.000 0.309 232 V C 0.467 176.611 176.094 0.084 0.000 1.457 232 V CA -1.042 61.316 62.300 0.096 0.000 1.069 232 V CB 0.175 32.081 31.823 0.138 0.000 0.944 232 V HN -0.290 7.923 8.190 0.039 0.000 0.449 233 G N 0.846 109.599 108.800 -0.079 0.000 2.238 233 G HA2 -0.329 nan 3.960 nan 0.000 0.217 233 G HA3 -0.329 nan 3.960 nan 0.000 0.217 233 G C -0.357 174.273 174.900 -0.450 0.000 0.996 233 G CA 1.027 45.871 45.100 -0.427 0.000 0.632 233 G HN 0.024 8.283 8.290 -0.051 0.000 0.503 234 T N -4.024 110.503 114.554 -0.044 0.000 3.035 234 T HA -0.079 nan 4.350 nan 0.000 0.268 234 T C 1.302 176.010 174.700 0.014 0.000 1.109 234 T CA 0.222 62.373 62.100 0.085 0.000 1.119 234 T CB -0.598 68.368 68.868 0.164 0.000 0.900 234 T HN -0.199 8.013 8.240 0.063 0.066 0.503 235 G N 2.654 111.440 108.800 -0.023 0.000 2.143 235 G HA2 -0.330 nan 3.960 nan 0.000 0.248 235 G HA3 -0.330 nan 3.960 nan 0.000 0.248 235 G C -0.716 174.188 174.900 0.007 0.000 0.991 235 G CA 0.078 45.176 45.100 -0.003 0.000 0.689 235 G HN -0.209 7.932 8.290 -0.046 0.121 0.522 236 L N 0.563 121.793 121.223 0.011 0.000 2.490 236 L HA -0.080 nan 4.340 nan 0.000 0.274 236 L C -0.240 176.624 176.870 -0.010 0.000 1.201 236 L CA 1.214 56.059 54.840 0.007 0.000 0.869 236 L CB 0.431 42.499 42.059 0.016 0.000 1.123 236 L HN -1.008 7.187 8.230 0.018 0.046 0.484 237 N N -0.444 118.244 118.700 -0.019 0.000 2.862 237 N HA -0.310 nan 4.740 nan 0.000 0.248 237 N C -1.302 174.167 175.510 -0.068 0.000 1.116 237 N CA 0.550 53.579 53.050 -0.036 0.000 0.727 237 N CB -0.628 37.838 38.487 -0.034 0.000 1.083 237 N HN 0.394 8.767 8.380 -0.013 0.000 0.555 238 T N -6.636 107.884 114.554 -0.057 0.000 2.864 238 T HA 0.244 nan 4.350 nan 0.000 0.299 238 T C -1.968 172.734 174.700 0.004 0.000 1.166 238 T CA -1.146 60.899 62.100 -0.091 0.000 1.007 238 T CB 2.934 71.749 68.868 -0.089 0.000 1.219 238 T HN -0.370 7.852 8.240 -0.031 0.000 0.506 239 H N 2.502 121.541 119.070 -0.051 0.000 2.683 239 H HA 0.197 nan 4.556 nan 0.000 0.339 239 H C 0.273 175.648 175.328 0.079 0.000 1.081 239 H CA -1.253 54.810 56.048 0.024 0.000 1.432 239 H CB 1.041 30.832 29.762 0.048 0.000 1.462 239 H HN 0.234 8.534 8.280 0.034 0.000 0.557 240 P HA -0.244 nan 4.420 nan 0.000 0.220 240 P C 0.094 177.456 177.300 0.104 0.000 1.144 240 P CA 2.125 65.200 63.100 -0.042 0.000 0.800 240 P CB 0.267 31.883 31.700 -0.140 0.000 0.772 241 E N -3.652 116.729 120.200 0.303 0.000 2.472 241 E HA 0.055 nan 4.350 nan 0.000 0.196 241 E C 1.254 177.991 176.600 0.230 0.000 1.033 241 E CA 0.104 56.666 56.400 0.269 0.000 0.886 241 E CB 0.403 30.283 29.700 0.300 0.000 0.944 241 E HN -0.145 8.485 8.360 0.524 0.045 0.492 242 Y N 2.352 122.746 120.300 0.157 0.000 2.053 242 Y HA -0.587 nan 4.550 nan 0.000 0.277 242 Y C 0.596 176.515 175.900 0.031 0.000 1.159 242 Y CA 4.296 62.438 58.100 0.071 0.000 1.125 242 Y CB -0.145 38.361 38.460 0.077 0.000 0.969 242 Y HN 0.073 8.447 8.280 0.464 0.185 0.492 243 A N -2.747 120.068 122.820 -0.008 0.000 1.917 243 A HA -0.472 nan 4.320 nan 0.000 0.219 243 A C 2.153 179.658 177.584 -0.132 0.000 1.182 243 A CA 3.591 55.556 52.037 -0.119 0.000 0.633 243 A CB -1.224 17.777 19.000 0.002 0.000 0.819 243 A HN 0.508 8.776 8.150 0.196 0.000 0.448 244 R N -2.022 118.444 120.500 -0.056 0.000 2.062 244 R HA -0.262 nan 4.340 nan 0.000 0.229 244 R C 2.340 178.601 176.300 -0.065 0.000 1.128 244 R CA 2.868 58.945 56.100 -0.038 0.000 0.960 244 R CB -0.294 30.007 30.300 0.003 0.000 0.855 244 R HN -0.387 7.868 8.270 -0.007 0.010 0.432 245 R N -1.048 119.405 120.500 -0.079 0.000 2.081 245 R HA -0.290 nan 4.340 nan 0.000 0.235 245 R C 2.392 178.605 176.300 -0.146 0.000 1.131 245 R CA 3.411 59.460 56.100 -0.086 0.000 0.960 245 R CB -0.171 30.094 30.300 -0.058 0.000 0.856 245 R HN -0.152 8.083 8.270 -0.058 0.000 0.436 246 V N -0.841 118.902 119.914 -0.284 0.000 2.515 246 V HA -0.275 nan 4.120 nan 0.000 0.250 246 V C 1.022 176.996 176.094 -0.200 0.000 1.058 246 V CA 3.247 65.359 62.300 -0.313 0.000 1.064 246 V CB -0.544 30.925 31.823 -0.590 0.000 0.675 246 V HN 0.333 8.297 8.190 -0.377 0.000 0.461 247 A N -0.841 121.884 122.820 -0.158 0.000 1.898 247 A HA -0.309 nan 4.320 nan 0.000 0.216 247 A C 1.793 179.369 177.584 -0.013 0.000 1.181 247 A CA 3.496 55.488 52.037 -0.075 0.000 0.620 247 A CB -0.816 18.166 19.000 -0.030 0.000 0.819 247 A HN -0.395 7.639 8.150 -0.178 0.010 0.442 248 D N -1.112 119.274 120.400 -0.024 0.000 2.097 248 D HA -0.311 nan 4.640 nan 0.000 0.195 248 D C 2.446 178.747 176.300 0.002 0.000 0.989 248 D CA 3.429 57.431 54.000 0.002 0.000 0.827 248 D CB -0.362 40.433 40.800 -0.009 0.000 0.966 248 D HN -0.258 8.013 8.370 -0.049 0.069 0.456 249 E N 0.733 120.914 120.200 -0.030 0.000 2.058 249 E HA -0.260 nan 4.350 nan 0.000 0.194 249 E C 2.309 178.899 176.600 -0.017 0.000 0.997 249 E CA 2.616 58.999 56.400 -0.029 0.000 0.801 249 E CB -0.345 29.323 29.700 -0.054 0.000 0.746 249 E HN -0.234 8.093 8.360 -0.055 0.000 0.450 250 L N -1.604 119.593 121.223 -0.043 0.000 2.046 250 L HA -0.378 nan 4.340 nan 0.000 0.208 250 L C 2.091 179.028 176.870 0.113 0.000 1.077 250 L CA 2.961 57.770 54.840 -0.051 0.000 0.747 250 L CB -0.371 41.544 42.059 -0.238 0.000 0.896 250 L HN -0.184 8.002 8.230 -0.075 0.000 0.432 251 A N -0.739 122.184 122.820 0.171 0.000 1.902 251 A HA -0.307 nan 4.320 nan 0.000 0.217 251 A C 2.314 179.967 177.584 0.115 0.000 1.181 251 A CA 3.342 55.511 52.037 0.220 0.000 0.623 251 A CB -0.833 18.257 19.000 0.149 0.000 0.818 251 A HN -0.194 7.943 8.150 0.110 0.078 0.443 252 V N -0.120 119.833 119.914 0.066 0.000 2.261 252 V HA -0.396 nan 4.120 nan 0.000 0.246 252 V C 1.990 178.108 176.094 0.040 0.000 1.047 252 V CA 3.873 66.197 62.300 0.039 0.000 1.015 252 V CB -0.386 31.449 31.823 0.020 0.000 0.642 252 V HN -0.165 7.977 8.190 0.056 0.082 0.446 253 I N -4.134 116.459 120.570 0.039 0.000 2.676 253 I HA -0.180 nan 4.170 nan 0.000 0.259 253 I C 1.526 177.674 176.117 0.053 0.000 1.194 253 I CA 2.489 63.808 61.300 0.032 0.000 1.473 253 I CB 0.080 38.087 38.000 0.013 0.000 1.096 253 I HN 0.041 8.271 8.210 0.034 0.000 0.443 254 T N -5.355 109.257 114.554 0.097 0.000 3.014 254 T HA 0.111 nan 4.350 nan 0.000 0.250 254 T C 0.544 175.299 174.700 0.092 0.000 1.060 254 T CA 0.252 62.429 62.100 0.129 0.000 1.040 254 T CB 0.875 69.910 68.868 0.278 0.000 0.971 254 T HN -0.218 8.094 8.240 0.120 0.000 0.497 255 C N 0.084 119.427 119.300 0.071 0.000 4.417 255 C HA -0.401 nan 4.460 nan 0.000 0.284 255 C C -0.673 174.309 174.990 -0.013 0.000 1.379 255 C CA -0.107 58.926 59.018 0.027 0.000 1.918 255 C CB -3.063 24.685 27.740 0.015 0.000 1.280 255 C HN 0.041 8.321 8.230 0.083 0.000 0.783 256 A N -0.579 122.225 122.820 -0.027 0.000 2.325 256 A HA 0.506 nan 4.320 nan 0.000 0.333 256 A C -2.427 174.989 177.584 -0.280 0.000 1.155 256 A CA -2.382 49.517 52.037 -0.229 0.000 0.814 256 A CB 1.163 19.898 19.000 -0.442 0.000 1.206 256 A HN -0.634 7.517 8.150 0.073 0.043 0.482 257 P HA 0.046 nan 4.420 nan 0.000 0.231 257 P C -1.752 175.429 177.300 -0.200 0.000 1.756 257 P CA -0.175 62.814 63.100 -0.186 0.000 0.990 257 P CB -1.601 30.017 31.700 -0.135 0.000 1.973 258 F N 1.946 121.897 119.950 0.001 0.000 2.471 258 F HA -0.052 nan 4.527 nan 0.000 0.353 258 F C 0.017 175.817 175.800 -0.001 0.000 1.113 258 F CA 1.032 59.034 58.000 0.003 0.000 1.262 258 F CB 1.095 40.092 39.000 -0.006 0.000 1.146 258 F HN -0.396 7.836 8.300 -0.010 0.062 0.578 259 V N -1.325 118.720 119.914 0.219 0.000 3.049 259 V HA 0.411 nan 4.120 nan 0.000 0.309 259 V C -1.355 174.798 176.094 0.097 0.000 1.148 259 V CA -2.542 59.828 62.300 0.115 0.000 0.990 259 V CB 3.617 35.485 31.823 0.074 0.000 1.039 259 V HN 0.478 8.837 8.190 0.281 0.000 0.430 260 T N 2.903 117.484 114.554 0.046 0.000 2.907 260 T HA 0.187 nan 4.350 nan 0.000 0.298 260 T C -0.367 174.353 174.700 0.034 0.000 1.017 260 T CA -0.730 61.381 62.100 0.019 0.000 1.118 260 T CB 0.103 68.965 68.868 -0.011 0.000 0.948 260 T HN 0.055 8.317 8.240 0.036 0.000 0.531 261 A N 8.724 131.562 122.820 0.030 0.000 2.524 261 A HA 0.196 nan 4.320 nan 0.000 0.250 261 A C -0.671 176.927 177.584 0.024 0.000 1.078 261 A CA -2.207 49.856 52.037 0.044 0.000 0.761 261 A CB -0.527 18.497 19.000 0.041 0.000 1.012 261 A HN 0.461 8.526 8.150 0.011 0.092 0.500 262 P HA -0.190 nan 4.420 nan 0.000 0.216 262 P C -0.556 176.768 177.300 0.039 0.000 1.150 262 P CA 1.588 64.706 63.100 0.030 0.000 0.837 262 P CB 0.247 31.963 31.700 0.027 0.000 0.786 263 N N -0.863 117.866 118.700 0.048 0.000 2.524 263 N HA 0.118 nan 4.740 nan 0.000 0.261 263 N C -0.043 175.469 175.510 0.003 0.000 0.998 263 N CA -1.026 52.071 53.050 0.079 0.000 0.915 263 N CB 1.136 39.707 38.487 0.141 0.000 1.187 263 N HN -0.101 8.299 8.380 0.049 0.009 0.507 264 K N 4.750 125.045 120.400 -0.175 0.000 2.283 264 K HA -0.209 nan 4.320 nan 0.000 0.202 264 K C 1.348 177.736 176.600 -0.353 0.000 1.048 264 K CA 2.124 58.222 56.287 -0.315 0.000 0.948 264 K CB -0.182 32.047 32.500 -0.452 0.000 0.742 264 K HN 0.556 8.681 8.250 -0.207 0.000 0.458 265 F N -1.934 118.043 119.950 0.045 0.000 2.206 265 F HA -0.199 nan 4.527 nan 0.000 0.298 265 F C 2.049 177.882 175.800 0.055 0.000 1.090 265 F CA 3.573 61.603 58.000 0.050 0.000 1.323 265 F CB -0.798 38.231 39.000 0.048 0.000 1.028 265 F HN -0.245 7.824 8.300 -0.335 0.030 0.492 266 E N 0.382 120.706 120.200 0.206 0.000 2.106 266 E HA -0.356 nan 4.350 nan 0.000 0.192 266 E C 1.759 178.428 176.600 0.114 0.000 0.984 266 E CA 2.986 59.480 56.400 0.156 0.000 0.806 266 E CB -0.362 29.429 29.700 0.152 0.000 0.750 266 E HN -0.433 8.056 8.360 0.215 0.000 0.458 267 A N -0.571 122.291 122.820 0.070 0.000 1.902 267 A HA -0.234 nan 4.320 nan 0.000 0.217 267 A C 2.302 179.883 177.584 -0.006 0.000 1.181 267 A CA 3.043 55.093 52.037 0.022 0.000 0.623 267 A CB -0.534 18.450 19.000 -0.026 0.000 0.818 267 A HN -0.498 7.612 8.150 0.054 0.072 0.443 268 L N -3.820 117.404 121.223 0.002 0.000 2.209 268 L HA -0.169 nan 4.340 nan 0.000 0.207 268 L C 2.731 179.640 176.870 0.064 0.000 1.094 268 L CA 2.314 57.164 54.840 0.018 0.000 0.790 268 L CB -0.104 41.961 42.059 0.010 0.000 0.932 268 L HN -0.089 8.137 8.230 -0.007 0.000 0.447 269 A N -3.054 119.823 122.820 0.095 0.000 2.167 269 A HA -0.025 nan 4.320 nan 0.000 0.214 269 A C -0.061 177.575 177.584 0.086 0.000 1.151 269 A CA 1.633 53.734 52.037 0.107 0.000 0.735 269 A CB 0.423 19.504 19.000 0.134 0.000 0.802 269 A HN -0.030 8.183 8.150 0.106 0.000 0.467 270 T N -7.645 106.955 114.554 0.077 0.000 2.812 270 T HA 0.314 nan 4.350 nan 0.000 0.294 270 T C -1.693 173.041 174.700 0.056 0.000 1.159 270 T CA -2.124 60.015 62.100 0.065 0.000 1.008 270 T CB 2.712 71.621 68.868 0.069 0.000 1.289 270 T HN -0.708 7.545 8.240 0.074 0.032 0.514 271 C N 0.499 119.826 119.300 0.045 0.000 2.741 271 C HA 0.548 nan 4.460 nan 0.000 0.267 271 C C 0.717 175.704 174.990 -0.006 0.000 1.549 271 C CA -1.176 57.862 59.018 0.034 0.000 1.772 271 C CB -1.240 26.525 27.740 0.041 0.000 2.962 271 C HN 0.751 9.004 8.230 0.038 0.000 0.514 272 D N 3.545 123.945 120.400 -0.000 0.000 2.133 272 D HA -0.298 nan 4.640 nan 0.000 0.195 272 D C 1.172 177.379 176.300 -0.155 0.000 0.997 272 D CA 4.069 58.062 54.000 -0.011 0.000 0.840 272 D CB -0.455 40.404 40.800 0.097 0.000 0.947 272 D HN -0.328 7.974 8.370 0.033 0.088 0.452 273 A N -1.388 121.163 122.820 -0.450 0.000 1.940 273 A HA -0.184 nan 4.320 nan 0.000 0.219 273 A C 2.101 179.466 177.584 -0.365 0.000 1.176 273 A CA 2.809 54.387 52.037 -0.766 0.000 0.631 273 A CB -0.589 17.847 19.000 -0.940 0.000 0.814 273 A HN 0.309 8.259 8.150 -0.333 0.000 0.446 274 L N -2.768 118.285 121.223 -0.282 0.000 2.179 274 L HA -0.237 nan 4.340 nan 0.000 0.208 274 L C 2.230 179.113 176.870 0.022 0.000 1.096 274 L CA 2.365 57.045 54.840 -0.268 0.000 0.779 274 L CB -0.164 41.679 42.059 -0.360 0.000 0.922 274 L HN -0.531 7.459 8.230 -0.216 0.111 0.443 275 V N 0.706 120.631 119.914 0.020 0.000 2.358 275 V HA -0.495 nan 4.120 nan 0.000 0.246 275 V C 2.552 178.719 176.094 0.121 0.000 1.047 275 V CA 4.368 66.718 62.300 0.083 0.000 1.035 275 V CB -1.026 30.822 31.823 0.042 0.000 0.658 275 V HN -0.090 7.993 8.190 -0.034 0.087 0.452 276 Q N -1.754 118.094 119.800 0.081 0.000 2.049 276 Q HA -0.291 nan 4.340 nan 0.000 0.198 276 Q C 2.359 178.438 176.000 0.132 0.000 0.971 276 Q CA 2.769 58.633 55.803 0.101 0.000 0.833 276 Q CB -0.335 28.466 28.738 0.105 0.000 0.896 276 Q HN -0.080 8.207 8.270 0.029 0.000 0.434 277 A N -0.913 121.991 122.820 0.140 0.000 1.940 277 A HA -0.288 nan 4.320 nan 0.000 0.219 277 A C 2.045 179.795 177.584 0.278 0.000 1.176 277 A CA 2.858 55.022 52.037 0.211 0.000 0.631 277 A CB -0.642 18.494 19.000 0.226 0.000 0.814 277 A HN -0.057 8.134 8.150 0.068 0.000 0.446 278 H N -1.685 117.568 119.070 0.304 0.000 2.491 278 H HA -0.189 nan 4.556 nan 0.000 0.290 278 H C 2.022 177.384 175.328 0.056 0.000 1.050 278 H CA 3.049 59.197 56.048 0.167 0.000 1.309 278 H CB 0.109 29.997 29.762 0.210 0.000 1.392 278 H HN 0.046 8.602 8.280 0.473 0.008 0.554 279 G N -2.392 106.484 108.800 0.127 0.000 2.422 279 G HA2 -0.326 nan 3.960 nan 0.000 0.218 279 G HA3 -0.326 nan 3.960 nan 0.000 0.218 279 G C 0.424 175.308 174.900 -0.028 0.000 1.146 279 G CA 1.813 46.944 45.100 0.052 0.000 0.769 279 G HN -0.361 7.899 8.290 0.179 0.137 0.547 280 A N 1.617 124.428 122.820 -0.016 0.000 1.968 280 A HA -0.102 nan 4.320 nan 0.000 0.217 280 A C 1.990 179.506 177.584 -0.113 0.000 1.169 280 A CA 2.391 54.405 52.037 -0.038 0.000 0.638 280 A CB -0.779 18.245 19.000 0.040 0.000 0.812 280 A HN -0.733 7.336 8.150 0.036 0.103 0.446 281 L N -2.469 118.628 121.223 -0.210 0.000 2.056 281 L HA -0.407 nan 4.340 nan 0.000 0.207 281 L C 2.095 178.784 176.870 -0.303 0.000 1.078 281 L CA 2.698 57.341 54.840 -0.328 0.000 0.749 281 L CB -0.199 41.499 42.059 -0.602 0.000 0.901 281 L HN -0.552 7.442 8.230 -0.201 0.115 0.433 282 K N -1.159 119.066 120.400 -0.291 0.000 2.283 282 K HA -0.191 nan 4.320 nan 0.000 0.202 282 K C 2.574 179.106 176.600 -0.113 0.000 1.048 282 K CA 2.654 58.844 56.287 -0.160 0.000 0.948 282 K CB -1.431 31.034 32.500 -0.058 0.000 0.742 282 K HN 0.210 8.271 8.250 -0.316 0.000 0.458 283 G N -0.148 108.581 108.800 -0.119 0.000 2.394 283 G HA2 -0.189 nan 3.960 nan 0.000 0.215 283 G HA3 -0.189 nan 3.960 nan 0.000 0.215 283 G C 0.656 175.499 174.900 -0.096 0.000 1.165 283 G CA 1.592 46.626 45.100 -0.109 0.000 0.784 283 G HN -0.526 7.561 8.290 -0.131 0.124 0.535 284 L N 1.839 123.001 121.223 -0.102 0.000 2.083 284 L HA -0.262 nan 4.340 nan 0.000 0.209 284 L C 1.463 178.270 176.870 -0.104 0.000 1.083 284 L CA 2.417 57.204 54.840 -0.088 0.000 0.752 284 L CB -0.497 41.505 42.059 -0.094 0.000 0.899 284 L HN -0.314 7.777 8.230 -0.117 0.069 0.433 285 A N -1.599 121.150 122.820 -0.119 0.000 1.933 285 A HA -0.381 nan 4.320 nan 0.000 0.218 285 A C 1.835 179.361 177.584 -0.097 0.000 1.175 285 A CA 3.210 55.180 52.037 -0.113 0.000 0.628 285 A CB -1.169 17.767 19.000 -0.107 0.000 0.814 285 A HN 0.269 8.266 8.150 -0.135 0.072 0.444 286 A N -2.255 120.516 122.820 -0.081 0.000 1.930 286 A HA -0.297 nan 4.320 nan 0.000 0.217 286 A C 2.248 179.791 177.584 -0.069 0.000 1.175 286 A CA 2.904 54.901 52.037 -0.066 0.000 0.627 286 A CB -0.855 18.113 19.000 -0.054 0.000 0.815 286 A HN -0.291 7.726 8.150 -0.084 0.083 0.443 287 S N 0.107 115.764 115.700 -0.071 0.000 2.355 287 S HA -0.318 nan 4.470 nan 0.000 0.222 287 S C 2.209 176.739 174.600 -0.117 0.000 1.031 287 S CA 3.636 61.798 58.200 -0.064 0.000 0.993 287 S CB -0.049 63.130 63.200 -0.036 0.000 0.859 287 S HN -0.554 7.713 8.310 -0.071 0.000 0.453 288 L N 0.859 121.994 121.223 -0.146 0.000 2.083 288 L HA -0.377 nan 4.340 nan 0.000 0.209 288 L C 1.774 178.494 176.870 -0.250 0.000 1.083 288 L CA 2.865 57.567 54.840 -0.229 0.000 0.752 288 L CB -0.226 41.698 42.059 -0.224 0.000 0.899 288 L HN 0.322 8.478 8.230 -0.124 0.000 0.433 289 M N -0.877 118.621 119.600 -0.169 0.000 2.080 289 M HA -0.444 nan 4.480 nan 0.000 0.260 289 M C 1.591 177.816 176.300 -0.124 0.000 1.068 289 M CA 3.619 58.838 55.300 -0.135 0.000 1.109 289 M CB -0.400 32.151 32.600 -0.081 0.000 1.342 289 M HN -0.051 8.146 8.290 -0.139 0.009 0.405 290 K N -0.412 119.922 120.400 -0.110 0.000 2.057 290 K HA -0.261 nan 4.320 nan 0.000 0.206 290 K C 2.596 179.091 176.600 -0.176 0.000 1.050 290 K CA 3.022 59.261 56.287 -0.080 0.000 0.935 290 K CB -0.274 32.205 32.500 -0.035 0.000 0.715 290 K HN -0.788 7.401 8.250 -0.102 0.000 0.439 291 I N -0.810 119.557 120.570 -0.338 0.000 2.179 291 I HA -0.516 nan 4.170 nan 0.000 0.242 291 I C 1.600 177.375 176.117 -0.570 0.000 1.088 291 I CA 3.799 64.680 61.300 -0.699 0.000 1.357 291 I CB -0.267 37.303 38.000 -0.716 0.000 1.051 291 I HN -0.202 7.841 8.210 -0.278 0.000 0.409 292 A N -0.941 121.611 122.820 -0.446 0.000 1.902 292 A HA -0.408 nan 4.320 nan 0.000 0.217 292 A C 1.920 179.428 177.584 -0.127 0.000 1.181 292 A CA 3.562 55.396 52.037 -0.339 0.000 0.623 292 A CB -0.917 17.859 19.000 -0.373 0.000 0.818 292 A HN 0.509 8.398 8.150 -0.434 0.000 0.443 293 N N -1.623 117.038 118.700 -0.065 0.000 2.142 293 N HA -0.300 nan 4.740 nan 0.000 0.186 293 N C 2.209 177.865 175.510 0.243 0.000 1.023 293 N CA 2.985 56.102 53.050 0.112 0.000 0.852 293 N CB -0.478 38.119 38.487 0.183 0.000 0.998 293 N HN -0.285 8.029 8.380 -0.111 0.000 0.424 294 D N 1.372 121.853 120.400 0.136 0.000 2.104 294 D HA -0.229 nan 4.640 nan 0.000 0.194 294 D C 2.465 178.918 176.300 0.255 0.000 0.994 294 D CA 3.417 57.564 54.000 0.244 0.000 0.830 294 D CB -0.078 40.899 40.800 0.294 0.000 0.959 294 D HN -0.074 8.297 8.370 0.003 0.000 0.452 295 V N -0.389 119.582 119.914 0.096 0.000 2.255 295 V HA -0.426 nan 4.120 nan 0.000 0.247 295 V C 2.022 178.195 176.094 0.132 0.000 1.051 295 V CA 4.236 66.625 62.300 0.148 0.000 1.018 295 V CB -0.575 31.324 31.823 0.127 0.000 0.641 295 V HN -0.067 8.076 8.190 -0.079 0.000 0.445 296 R N -1.624 118.912 120.500 0.059 0.000 2.115 296 R HA -0.327 nan 4.340 nan 0.000 0.230 296 R C 1.741 177.993 176.300 -0.080 0.000 1.111 296 R CA 3.007 59.078 56.100 -0.049 0.000 0.976 296 R CB -0.631 29.574 30.300 -0.158 0.000 0.870 296 R HN -0.333 7.963 8.270 0.044 0.000 0.445 297 W N -2.621 118.709 121.300 0.051 0.000 2.409 297 W HA -0.219 nan 4.660 nan 0.000 0.299 297 W C 2.550 179.106 176.519 0.061 0.000 1.203 297 W CA 2.170 59.546 57.345 0.050 0.000 1.298 297 W CB 0.198 29.688 29.460 0.051 0.000 1.127 297 W HN -0.333 7.974 8.180 0.211 0.000 0.528 298 L N -0.213 121.199 121.223 0.314 0.000 2.191 298 L HA -0.339 nan 4.340 nan 0.000 0.212 298 L C 1.150 178.109 176.870 0.148 0.000 1.103 298 L CA 2.187 57.161 54.840 0.223 0.000 0.769 298 L CB -0.726 41.478 42.059 0.242 0.000 0.908 298 L HN 0.188 8.620 8.230 0.336 0.000 0.438 299 A N -5.899 116.992 122.820 0.119 0.000 2.308 299 A HA 0.145 nan 4.320 nan 0.000 0.217 299 A C -0.437 177.169 177.584 0.036 0.000 1.216 299 A CA -0.762 51.314 52.037 0.065 0.000 0.864 299 A CB -0.364 18.666 19.000 0.050 0.000 0.902 299 A HN -0.585 7.517 8.150 0.129 0.125 0.499 300 S N -0.310 115.417 115.700 0.044 0.000 2.549 300 S HA -0.140 nan 4.470 nan 0.000 0.286 300 S C -0.277 174.341 174.600 0.031 0.000 1.314 300 S CA 0.572 58.776 58.200 0.008 0.000 1.062 300 S CB 0.828 64.035 63.200 0.013 0.000 0.865 300 S HN -0.609 7.574 8.310 0.092 0.182 0.498 301 G N 2.439 111.244 108.800 0.008 0.000 2.564 301 G HA2 -0.048 nan 3.960 nan 0.000 0.139 301 G HA3 -0.048 nan 3.960 nan 0.000 0.139 301 G C -2.114 172.788 174.900 0.004 0.000 1.147 301 G CA 0.476 45.586 45.100 0.016 0.000 1.031 301 G HN 0.046 8.326 8.290 -0.016 0.000 0.482 302 P HA 0.155 nan 4.420 nan 0.000 0.236 302 P C -0.272 177.036 177.300 0.014 0.000 1.177 302 P CA 0.707 63.813 63.100 0.009 0.000 0.773 302 P CB 0.648 32.350 31.700 0.004 0.000 0.878 303 R N -2.531 117.978 120.500 0.016 0.000 2.342 303 R HA 0.156 nan 4.340 nan 0.000 0.204 303 R C 0.018 176.334 176.300 0.026 0.000 0.882 303 R CA 0.254 56.365 56.100 0.018 0.000 1.041 303 R CB 0.743 31.051 30.300 0.013 0.000 1.188 303 R HN 0.005 8.224 8.270 0.013 0.059 0.598 304 C N -0.595 118.723 119.300 0.030 0.000 2.647 304 C HA 0.422 nan 4.460 nan 0.000 0.296 304 C C -0.135 174.891 174.990 0.060 0.000 1.403 304 C CA -1.125 57.917 59.018 0.040 0.000 1.781 304 C CB -1.426 26.334 27.740 0.034 0.000 2.464 304 C HN -0.178 8.067 8.230 0.026 0.000 0.559 305 G N 0.183 109.024 108.800 0.067 0.000 3.259 305 G HA2 0.384 nan 3.960 nan 0.000 0.178 305 G HA3 0.384 nan 3.960 nan 0.000 0.178 305 G C -1.091 173.874 174.900 0.108 0.000 1.129 305 G CA -0.665 44.498 45.100 0.106 0.000 0.816 305 G HN -0.804 7.454 8.290 0.054 0.065 0.634 306 I N 1.351 122.002 120.570 0.134 0.000 2.512 306 I HA -0.029 nan 4.170 nan 0.000 0.247 306 I C 0.856 177.022 176.117 0.081 0.000 1.094 306 I CA 1.204 62.574 61.300 0.116 0.000 1.427 306 I CB 0.990 39.086 38.000 0.160 0.000 1.149 306 I HN 0.119 8.425 8.210 0.159 0.000 0.438 307 G N -1.092 107.754 108.800 0.078 0.000 2.258 307 G HA2 -0.471 nan 3.960 nan 0.000 0.274 307 G HA3 -0.471 nan 3.960 nan 0.000 0.274 307 G C -0.201 174.720 174.900 0.036 0.000 1.021 307 G CA 1.081 46.210 45.100 0.049 0.000 0.798 307 G HN -0.193 8.154 8.290 0.094 0.000 0.507 308 E N -2.248 117.980 120.200 0.046 0.000 2.216 308 E HA -0.119 nan 4.350 nan 0.000 0.192 308 E C -0.205 176.391 176.600 -0.006 0.000 0.988 308 E CA 1.410 57.822 56.400 0.020 0.000 0.834 308 E CB 0.845 30.564 29.700 0.032 0.000 0.772 308 E HN -0.206 8.170 8.360 0.071 0.026 0.479 309 I N -7.056 113.525 120.570 0.019 0.000 3.042 309 I HA 0.689 nan 4.170 nan 0.000 0.310 309 I C -1.746 174.380 176.117 0.015 0.000 1.117 309 I CA -2.864 58.437 61.300 0.000 0.000 1.003 309 I CB 4.070 42.094 38.000 0.040 0.000 1.228 309 I HN -0.550 7.666 8.210 0.048 0.023 0.443 310 S N 0.066 115.769 115.700 0.006 0.000 2.513 310 S HA 0.464 nan 4.470 nan 0.000 0.299 310 S C -1.362 173.251 174.600 0.021 0.000 1.087 310 S CA -1.668 56.539 58.200 0.011 0.000 1.012 310 S CB 2.356 65.556 63.200 0.001 0.000 1.044 310 S HN 0.683 8.884 8.310 -0.009 0.104 0.485 311 I N -4.658 115.922 120.570 0.016 0.000 2.846 311 I HA 0.649 nan 4.170 nan 0.000 0.307 311 I C -2.457 173.661 176.117 0.001 0.000 1.053 311 I CA -3.292 58.014 61.300 0.009 0.000 1.050 311 I CB 1.784 39.788 38.000 0.005 0.000 1.239 311 I HN 0.122 8.339 8.210 0.012 0.000 0.439 312 P HA -0.011 nan 4.420 nan 0.000 0.264 312 P C -2.031 175.266 177.300 -0.006 0.000 1.193 312 P CA -0.147 62.952 63.100 -0.001 0.000 0.763 312 P CB 0.517 32.219 31.700 0.003 0.000 0.810 313 E N 3.775 123.970 120.200 -0.007 0.000 2.152 313 E HA -0.036 nan 4.350 nan 0.000 0.285 313 E C -0.768 175.820 176.600 -0.020 0.000 1.043 313 E CA -0.236 56.156 56.400 -0.013 0.000 0.839 313 E CB 0.480 30.174 29.700 -0.011 0.000 1.069 313 E HN 0.241 8.600 8.360 -0.003 0.000 0.399 314 N N 5.255 123.935 118.700 -0.033 0.000 2.415 314 N HA -0.004 nan 4.740 nan 0.000 0.174 314 N C -0.649 174.827 175.510 -0.058 0.000 1.048 314 N CA 0.970 53.986 53.050 -0.057 0.000 0.895 314 N CB 0.786 39.213 38.487 -0.101 0.000 1.036 314 N HN 0.573 8.934 8.380 -0.031 0.000 0.449 315 E N -0.826 119.347 120.200 -0.045 0.000 2.263 315 E HA 0.512 nan 4.350 nan 0.000 0.264 315 E C -1.997 174.587 176.600 -0.027 0.000 0.923 315 E CA -2.008 54.369 56.400 -0.038 0.000 0.802 315 E CB 0.905 30.582 29.700 -0.038 0.000 1.228 315 E HN -0.362 7.975 8.360 -0.038 0.000 0.417 322 P HA -0.093 nan 4.420 nan 0.000 0.212 322 P C 0.136 177.433 177.300 -0.005 0.000 1.178 322 P CA 1.489 64.587 63.100 -0.004 0.000 0.915 322 P CB 0.092 31.791 31.700 -0.003 0.000 0.788 323 G N -3.959 104.838 108.800 -0.004 0.000 3.233 323 G HA2 0.004 nan 3.960 nan 0.000 0.227 323 G HA3 0.004 nan 3.960 nan 0.000 0.227 323 G C -1.603 173.293 174.900 -0.007 0.000 1.175 323 G CA -0.712 44.385 45.100 -0.004 0.000 0.781 323 G HN 0.072 8.361 8.290 -0.003 0.000 0.542 324 K N 2.294 122.688 120.400 -0.009 0.000 2.336 324 K HA -0.058 nan 4.320 nan 0.000 0.290 324 K C -0.869 175.721 176.600 -0.016 0.000 1.067 324 K CA 0.226 56.505 56.287 -0.014 0.000 0.962 324 K CB -0.066 32.425 32.500 -0.014 0.000 1.008 324 K HN -0.751 7.421 8.250 -0.008 0.073 0.467 325 V N 7.076 126.979 119.914 -0.018 0.000 2.284 325 V HA 0.078 nan 4.120 nan 0.000 0.274 325 V C -0.613 175.465 176.094 -0.028 0.000 1.023 325 V CA -1.077 61.211 62.300 -0.019 0.000 0.808 325 V CB 0.268 32.083 31.823 -0.014 0.000 1.035 325 V HN -0.086 8.093 8.190 -0.018 0.000 0.445 326 N N 8.248 126.929 118.700 -0.031 0.000 2.483 326 N HA 0.220 nan 4.740 nan 0.000 0.264 326 N C -0.973 174.516 175.510 -0.034 0.000 1.197 326 N CA -2.252 50.774 53.050 -0.040 0.000 0.927 326 N CB 0.526 38.990 38.487 -0.038 0.000 1.065 326 N HN 0.097 8.460 8.380 -0.027 0.000 0.461 327 P HA 0.184 nan 4.420 nan 0.000 0.230 327 P C -0.166 177.130 177.300 -0.007 0.000 1.791 327 P CA -0.420 62.668 63.100 -0.021 0.000 1.020 327 P CB -1.322 30.354 31.700 -0.040 0.000 1.977 328 T N 0.001 114.553 114.554 -0.004 0.000 2.788 328 T HA -0.392 nan 4.350 nan 0.000 0.268 328 T C 1.783 176.504 174.700 0.034 0.000 1.044 328 T CA 3.736 65.837 62.100 0.002 0.000 1.139 328 T CB -0.415 68.448 68.868 -0.009 0.000 0.867 328 T HN 0.079 8.262 8.240 -0.010 0.050 0.454 329 Q N 1.123 120.966 119.800 0.071 0.000 2.124 329 Q HA -0.186 nan 4.340 nan 0.000 0.202 329 Q C 1.938 178.051 176.000 0.190 0.000 0.977 329 Q CA 2.986 58.880 55.803 0.151 0.000 0.850 329 Q CB -1.033 27.821 28.738 0.193 0.000 0.901 329 Q HN 0.341 8.644 8.270 0.054 0.000 0.429 330 C N -0.088 119.308 119.300 0.160 0.000 2.440 330 C HA -0.220 nan 4.460 nan 0.000 0.278 330 C C 2.224 177.208 174.990 -0.010 0.000 1.295 330 C CA 3.592 62.659 59.018 0.081 0.000 1.738 330 C CB -1.403 26.372 27.740 0.060 0.000 1.987 330 C HN -0.391 7.912 8.230 0.132 0.006 0.492 331 E N 0.037 120.234 120.200 -0.006 0.000 2.072 331 E HA -0.360 nan 4.350 nan 0.000 0.191 331 E C 2.220 178.809 176.600 -0.019 0.000 0.985 331 E CA 3.057 59.442 56.400 -0.025 0.000 0.801 331 E CB -0.325 29.359 29.700 -0.027 0.000 0.750 331 E HN -0.250 8.012 8.360 0.010 0.104 0.452 332 A N -0.087 122.734 122.820 0.001 0.000 1.898 332 A HA -0.181 nan 4.320 nan 0.000 0.216 332 A C 1.996 179.568 177.584 -0.020 0.000 1.181 332 A CA 3.004 55.042 52.037 0.002 0.000 0.620 332 A CB -0.510 18.506 19.000 0.026 0.000 0.819 332 A HN -0.012 8.149 8.150 0.018 0.000 0.442 333 L N -2.344 118.858 121.223 -0.036 0.000 2.017 333 L HA -0.339 nan 4.340 nan 0.000 0.208 333 L C 1.996 178.797 176.870 -0.116 0.000 1.073 333 L CA 3.144 57.920 54.840 -0.106 0.000 0.745 333 L CB -0.314 41.607 42.059 -0.230 0.000 0.894 333 L HN -0.203 8.023 8.230 -0.007 0.000 0.432 334 T N -2.423 112.070 114.554 -0.102 0.000 2.821 334 T HA -0.365 nan 4.350 nan 0.000 0.267 334 T C 2.367 177.035 174.700 -0.055 0.000 1.046 334 T CA 3.589 65.639 62.100 -0.083 0.000 1.139 334 T CB -0.432 68.397 68.868 -0.065 0.000 0.871 334 T HN -0.004 8.182 8.240 -0.090 0.000 0.454 335 M N 1.512 121.087 119.600 -0.042 0.000 2.117 335 M HA -0.339 nan 4.480 nan 0.000 0.262 335 M C 2.028 178.312 176.300 -0.027 0.000 1.065 335 M CA 3.953 59.237 55.300 -0.026 0.000 1.114 335 M CB -0.017 32.573 32.600 -0.017 0.000 1.361 335 M HN -0.429 7.836 8.290 -0.042 0.000 0.408 336 L N -3.645 117.556 121.223 -0.036 0.000 2.217 336 L HA -0.146 nan 4.340 nan 0.000 0.211 336 L C 1.443 178.284 176.870 -0.048 0.000 1.107 336 L CA 3.156 57.974 54.840 -0.037 0.000 0.783 336 L CB -1.500 40.534 42.059 -0.041 0.000 0.919 336 L HN -0.220 7.986 8.230 -0.041 0.000 0.442 337 C N -0.131 119.131 119.300 -0.062 0.000 2.440 337 C HA -0.315 nan 4.460 nan 0.000 0.278 337 C C 2.245 177.211 174.990 -0.041 0.000 1.295 337 C CA 4.126 63.104 59.018 -0.068 0.000 1.738 337 C CB -2.289 25.399 27.740 -0.087 0.000 1.987 337 C HN -0.303 7.777 8.230 -0.069 0.108 0.492 338 C N 0.406 119.689 119.300 -0.029 0.000 2.440 338 C HA -0.320 nan 4.460 nan 0.000 0.278 338 C C 1.787 176.777 174.990 -0.001 0.000 1.295 338 C CA 4.472 63.482 59.018 -0.012 0.000 1.738 338 C CB -1.825 25.910 27.740 -0.008 0.000 1.987 338 C HN -0.149 7.977 8.230 -0.033 0.084 0.492 339 Q N 0.225 120.023 119.800 -0.003 0.000 2.050 339 Q HA -0.293 nan 4.340 nan 0.000 0.202 339 Q C 2.110 178.123 176.000 0.021 0.000 0.980 339 Q CA 2.974 58.783 55.803 0.009 0.000 0.840 339 Q CB -0.590 28.149 28.738 0.002 0.000 0.898 339 Q HN -0.457 7.724 8.270 -0.012 0.082 0.424 340 V N 0.377 120.296 119.914 0.009 0.000 2.407 340 V HA -0.444 nan 4.120 nan 0.000 0.248 340 V C 2.381 178.534 176.094 0.098 0.000 1.055 340 V CA 4.264 66.590 62.300 0.042 0.000 1.049 340 V CB -0.927 30.866 31.823 -0.049 0.000 0.662 340 V HN -0.078 8.103 8.190 -0.015 0.000 0.455 341 M N -0.709 118.916 119.600 0.042 0.000 2.132 341 M HA -0.294 nan 4.480 nan 0.000 0.263 341 M C 2.262 178.594 176.300 0.054 0.000 1.065 341 M CA 2.612 57.938 55.300 0.044 0.000 1.122 341 M CB -0.611 31.998 32.600 0.014 0.000 1.365 341 M HN -0.377 7.821 8.290 0.014 0.100 0.411 342 G N -1.947 106.878 108.800 0.042 0.000 2.402 342 G HA2 -0.392 nan 3.960 nan 0.000 0.216 342 G HA3 -0.392 nan 3.960 nan 0.000 0.216 342 G C 1.053 175.975 174.900 0.037 0.000 1.162 342 G CA 1.990 47.112 45.100 0.037 0.000 0.777 342 G HN 0.046 8.357 8.290 0.034 0.000 0.539 343 N N 1.607 120.332 118.700 0.042 0.000 2.149 343 N HA -0.358 nan 4.740 nan 0.000 0.188 343 N C 1.890 177.331 175.510 -0.115 0.000 1.019 343 N CA 2.544 55.587 53.050 -0.012 0.000 0.857 343 N CB -0.467 38.018 38.487 -0.003 0.000 0.997 343 N HN 0.144 8.557 8.380 0.054 0.000 0.426 344 D N -0.086 120.313 120.400 -0.003 0.000 2.117 344 D HA -0.210 nan 4.640 nan 0.000 0.197 344 D C 2.181 178.473 176.300 -0.013 0.000 0.987 344 D CA 3.508 57.510 54.000 0.003 0.000 0.829 344 D CB 0.208 41.142 40.800 0.224 0.000 0.961 344 D HN -0.302 8.022 8.370 0.118 0.117 0.460 345 V N 0.007 119.926 119.914 0.010 0.000 2.343 345 V HA -0.368 nan 4.120 nan 0.000 0.247 345 V C 1.770 177.863 176.094 -0.001 0.000 1.051 345 V CA 3.420 65.724 62.300 0.007 0.000 1.036 345 V CB -0.786 31.046 31.823 0.015 0.000 0.654 345 V HN -0.767 7.352 8.190 0.024 0.086 0.451 346 A N -0.537 122.288 122.820 0.008 0.000 1.902 346 A HA -0.343 nan 4.320 nan 0.000 0.217 346 A C 1.911 179.506 177.584 0.018 0.000 1.181 346 A CA 3.405 55.464 52.037 0.037 0.000 0.623 346 A CB -0.861 18.188 19.000 0.083 0.000 0.818 346 A HN -0.513 7.641 8.150 0.008 0.000 0.443 347 I N -1.776 118.774 120.570 -0.034 0.000 2.226 347 I HA -0.642 nan 4.170 nan 0.000 0.245 347 I C 1.866 177.964 176.117 -0.031 0.000 1.100 347 I CA 4.278 65.554 61.300 -0.040 0.000 1.374 347 I CB -0.347 37.568 38.000 -0.141 0.000 1.057 347 I HN 0.036 8.201 8.210 -0.075 0.000 0.413 348 N N 0.235 118.916 118.700 -0.031 0.000 2.120 348 N HA -0.315 nan 4.740 nan 0.000 0.188 348 N C 2.520 177.989 175.510 -0.068 0.000 1.024 348 N CA 3.074 56.107 53.050 -0.029 0.000 0.852 348 N CB -0.526 37.954 38.487 -0.011 0.000 1.003 348 N HN 0.015 8.376 8.380 -0.032 0.000 0.424 349 M N -0.673 118.882 119.600 -0.074 0.000 2.080 349 M HA -0.344 nan 4.480 nan 0.000 0.260 349 M C 2.051 178.182 176.300 -0.282 0.000 1.068 349 M CA 4.032 59.253 55.300 -0.132 0.000 1.109 349 M CB -0.013 32.539 32.600 -0.080 0.000 1.342 349 M HN 0.189 8.452 8.290 -0.045 0.000 0.405 350 G N -3.941 104.717 108.800 -0.236 0.000 2.408 350 G HA2 -0.216 nan 3.960 nan 0.000 0.217 350 G HA3 -0.216 nan 3.960 nan 0.000 0.217 350 G C 1.917 176.637 174.900 -0.301 0.000 1.150 350 G CA 1.393 46.261 45.100 -0.388 0.000 0.776 350 G HN -0.290 7.939 8.290 -0.101 0.000 0.542 351 G N 1.288 110.006 108.800 -0.136 0.000 2.422 351 G HA2 -0.250 nan 3.960 nan 0.000 0.218 351 G HA3 -0.250 nan 3.960 nan 0.000 0.218 351 G C 0.709 175.549 174.900 -0.100 0.000 1.140 351 G CA 1.109 46.165 45.100 -0.074 0.000 0.775 351 G HN 0.257 8.306 8.290 -0.103 0.179 0.545 352 A N -0.132 122.603 122.820 -0.143 0.000 2.206 352 A HA 0.076 nan 4.320 nan 0.000 0.211 352 A C 0.518 177.998 177.584 -0.173 0.000 1.158 352 A CA 1.244 53.206 52.037 -0.126 0.000 0.761 352 A CB -0.321 18.615 19.000 -0.107 0.000 0.801 352 A HN -0.091 7.963 8.150 -0.161 0.000 0.473 353 S N -1.049 114.470 115.700 -0.303 0.000 2.582 353 S HA 0.081 nan 4.470 nan 0.000 0.234 353 S C 0.144 174.683 174.600 -0.102 0.000 0.961 353 S CA -0.751 57.249 58.200 -0.333 0.000 0.953 353 S CB 0.235 62.921 63.200 -0.856 0.000 0.800 353 S HN -0.689 7.212 8.310 -0.380 0.181 0.471 354 G N 0.853 109.628 108.800 -0.043 0.000 2.544 354 G HA2 0.020 nan 3.960 nan 0.000 0.242 354 G HA3 0.020 nan 3.960 nan 0.000 0.242 354 G C -1.433 173.448 174.900 -0.032 0.000 1.247 354 G CA -0.335 44.788 45.100 0.039 0.000 0.840 354 G HN -0.650 7.542 8.290 -0.073 0.054 0.578 355 N N 2.892 121.573 118.700 -0.033 0.000 2.410 355 N HA 0.310 nan 4.740 nan 0.000 0.287 355 N C -0.440 174.988 175.510 -0.136 0.000 1.044 355 N CA -0.531 52.365 53.050 -0.258 0.000 0.881 355 N CB 2.493 40.851 38.487 -0.216 0.000 1.405 355 N HN -0.505 7.907 8.380 0.053 0.000 0.490 356 F N 1.067 121.054 119.950 0.062 0.000 2.426 356 F HA -0.511 nan 4.527 nan 0.000 0.283 356 F C 0.814 176.660 175.800 0.078 0.000 1.467 356 F CA 2.364 60.400 58.000 0.059 0.000 1.793 356 F CB -1.590 37.441 39.000 0.050 0.000 1.994 356 F HN 0.548 8.482 8.300 -0.612 0.000 0.187 357 E N 0.169 120.565 120.200 0.327 0.000 2.489 357 E HA 0.072 nan 4.350 nan 0.000 0.193 357 E C -0.891 175.812 176.600 0.172 0.000 1.057 357 E CA 0.370 56.908 56.400 0.229 0.000 0.866 357 E CB 0.591 30.413 29.700 0.203 0.000 0.916 357 E HN 0.231 8.825 8.360 0.389 0.000 0.500 358 L N -1.299 120.018 121.223 0.157 0.000 2.513 358 L HA 0.151 nan 4.340 nan 0.000 0.261 358 L C -2.552 174.387 176.870 0.116 0.000 0.945 358 L CA 0.046 54.956 54.840 0.117 0.000 0.848 358 L CB 3.977 46.094 42.059 0.096 0.000 1.334 358 L HN -0.701 7.590 8.230 0.183 0.049 0.407 359 N N 4.338 123.106 118.700 0.113 0.000 2.419 359 N HA 0.287 nan 4.740 nan 0.000 0.264 359 N C -1.105 174.498 175.510 0.156 0.000 1.031 359 N CA -0.311 52.833 53.050 0.157 0.000 0.951 359 N CB 1.693 40.265 38.487 0.141 0.000 1.101 359 N HN -0.120 8.319 8.380 0.098 0.000 0.488 360 V N -0.243 119.777 119.914 0.176 0.000 2.908 360 V HA 0.327 nan 4.120 nan 0.000 0.369 360 V C -1.060 174.934 176.094 -0.166 0.000 1.259 360 V CA -1.621 60.676 62.300 -0.006 0.000 1.406 360 V CB -1.920 29.849 31.823 -0.091 0.000 1.475 360 V HN 0.228 8.582 8.190 0.273 0.000 0.587 361 F N -0.937 119.022 119.950 0.015 0.000 2.791 361 F HA 0.396 nan 4.527 nan 0.000 0.316 361 F C 0.569 176.392 175.800 0.039 0.000 1.134 361 F CA -1.254 56.765 58.000 0.032 0.000 1.222 361 F CB 1.118 40.145 39.000 0.046 0.000 1.034 361 F HN -0.040 8.681 8.300 0.329 -0.224 0.516 362 R N 1.139 121.727 120.500 0.146 0.000 2.073 362 R HA -0.199 nan 4.340 nan 0.000 0.234 362 R C -1.187 175.243 176.300 0.217 0.000 1.134 362 R CA 6.269 62.482 56.100 0.188 0.000 0.952 362 R CB -2.523 27.924 30.300 0.246 0.000 0.850 362 R HN -0.481 7.765 8.270 0.074 0.069 0.433 363 P HA -0.237 nan 4.420 nan 0.000 0.215 363 P C 1.327 178.621 177.300 -0.011 0.000 1.153 363 P CA 3.332 66.438 63.100 0.011 0.000 0.853 363 P CB -0.622 30.914 31.700 -0.273 0.000 0.788 364 M N -1.866 117.727 119.600 -0.012 0.000 2.117 364 M HA -0.216 nan 4.480 nan 0.000 0.262 364 M C 1.807 178.216 176.300 0.183 0.000 1.065 364 M CA 2.839 58.187 55.300 0.081 0.000 1.114 364 M CB -0.730 32.032 32.600 0.270 0.000 1.361 364 M HN -0.395 7.891 8.290 0.002 0.005 0.408 365 V N 0.613 120.632 119.914 0.176 0.000 2.295 365 V HA -0.412 nan 4.120 nan 0.000 0.246 365 V C 2.139 178.323 176.094 0.151 0.000 1.049 365 V CA 4.704 67.093 62.300 0.148 0.000 1.024 365 V CB -0.912 30.988 31.823 0.129 0.000 0.648 365 V HN -0.409 7.892 8.190 0.185 0.000 0.447 366 I N -0.700 119.961 120.570 0.151 0.000 2.394 366 I HA -0.415 nan 4.170 nan 0.000 0.251 366 I C 0.859 177.064 176.117 0.147 0.000 1.136 366 I CA 1.729 63.108 61.300 0.132 0.000 1.425 366 I CB -0.318 37.719 38.000 0.061 0.000 1.079 366 I HN -0.032 8.280 8.210 0.170 0.000 0.425 367 H N 1.115 120.211 119.070 0.044 0.000 2.290 367 H HA -0.431 nan 4.556 nan 0.000 0.298 367 H C 1.925 177.290 175.328 0.060 0.000 1.087 367 H CA 4.753 60.806 56.048 0.008 0.000 1.291 367 H CB -0.216 29.490 29.762 -0.093 0.000 1.369 367 H HN 0.082 8.471 8.280 0.206 0.014 0.492 368 N N -0.595 118.059 118.700 -0.078 0.000 2.142 368 N HA -0.357 nan 4.740 nan 0.000 0.186 368 N C 2.058 177.538 175.510 -0.050 0.000 1.023 368 N CA 3.844 56.823 53.050 -0.119 0.000 0.852 368 N CB -0.057 38.419 38.487 -0.018 0.000 0.998 368 N HN -0.423 8.034 8.380 0.129 0.000 0.424 369 F N 1.667 121.575 119.950 -0.070 0.000 2.075 369 F HA -0.327 nan 4.527 nan 0.000 0.297 369 F C 1.202 177.015 175.800 0.021 0.000 1.113 369 F CA 4.056 62.074 58.000 0.030 0.000 1.218 369 F CB 0.403 39.424 39.000 0.035 0.000 0.984 369 F HN -0.092 8.328 8.300 0.200 0.000 0.472 370 L N -2.911 118.423 121.223 0.185 0.000 2.141 370 L HA -0.479 nan 4.340 nan 0.000 0.209 370 L C 1.912 178.748 176.870 -0.057 0.000 1.094 370 L CA 2.799 57.685 54.840 0.075 0.000 0.763 370 L CB -0.591 41.513 42.059 0.075 0.000 0.908 370 L HN 0.120 8.481 8.230 0.219 0.000 0.437 371 Q N 0.123 119.854 119.800 -0.115 0.000 2.046 371 Q HA -0.393 nan 4.340 nan 0.000 0.200 371 Q C 2.383 178.316 176.000 -0.111 0.000 0.975 371 Q CA 3.607 59.330 55.803 -0.134 0.000 0.836 371 Q CB -0.152 28.455 28.738 -0.218 0.000 0.896 371 Q HN -0.258 7.921 8.270 -0.137 0.009 0.428 372 S N 0.739 116.367 115.700 -0.120 0.000 2.382 372 S HA -0.369 nan 4.470 nan 0.000 0.228 372 S C 2.176 176.656 174.600 -0.201 0.000 1.027 372 S CA 3.729 61.850 58.200 -0.131 0.000 0.991 372 S CB -0.077 63.092 63.200 -0.052 0.000 0.823 372 S HN -0.283 7.959 8.310 -0.113 0.000 0.469 373 V N 1.909 121.672 119.914 -0.252 0.000 2.358 373 V HA -0.403 nan 4.120 nan 0.000 0.246 373 V C 1.879 177.908 176.094 -0.109 0.000 1.047 373 V CA 4.353 66.533 62.300 -0.199 0.000 1.035 373 V CB -1.091 30.637 31.823 -0.158 0.000 0.658 373 V HN -0.243 7.776 8.190 -0.285 0.000 0.452 374 R N -0.827 119.624 120.500 -0.083 0.000 2.083 374 R HA -0.373 nan 4.340 nan 0.000 0.237 374 R C 2.420 178.689 176.300 -0.051 0.000 1.137 374 R CA 3.723 59.791 56.100 -0.052 0.000 0.951 374 R CB -0.256 30.020 30.300 -0.041 0.000 0.851 374 R HN -0.315 7.902 8.270 -0.089 0.000 0.434 375 L N -1.084 120.102 121.223 -0.061 0.000 1.989 375 L HA -0.386 nan 4.340 nan 0.000 0.211 375 L C 2.439 179.272 176.870 -0.061 0.000 1.071 375 L CA 3.144 57.952 54.840 -0.053 0.000 0.749 375 L CB -0.346 41.679 42.059 -0.057 0.000 0.890 375 L HN 0.178 8.364 8.230 -0.073 0.000 0.431 376 L N -2.519 118.653 121.223 -0.086 0.000 2.027 376 L HA -0.442 nan 4.340 nan 0.000 0.206 376 L C 2.094 178.925 176.870 -0.064 0.000 1.074 376 L CA 3.063 57.849 54.840 -0.090 0.000 0.745 376 L CB -0.737 41.248 42.059 -0.123 0.000 0.898 376 L HN -0.141 8.027 8.230 -0.104 0.000 0.433 377 A N -0.499 122.287 122.820 -0.058 0.000 1.845 377 A HA -0.419 nan 4.320 nan 0.000 0.215 377 A C 1.962 179.535 177.584 -0.018 0.000 1.195 377 A CA 3.530 55.546 52.037 -0.036 0.000 0.616 377 A CB -1.013 17.967 19.000 -0.033 0.000 0.832 377 A HN 0.302 8.411 8.150 -0.070 0.000 0.443 378 D N -1.800 118.592 120.400 -0.015 0.000 2.144 378 D HA -0.234 nan 4.640 nan 0.000 0.199 378 D C 2.739 179.049 176.300 0.018 0.000 0.984 378 D CA 3.024 57.026 54.000 0.003 0.000 0.834 378 D CB -0.450 40.353 40.800 0.005 0.000 0.955 378 D HN -0.056 8.300 8.370 -0.023 0.000 0.465 379 G N -0.495 108.308 108.800 0.004 0.000 2.421 379 G HA2 -0.299 nan 3.960 nan 0.000 0.216 379 G HA3 -0.299 nan 3.960 nan 0.000 0.216 379 G C 1.229 176.158 174.900 0.048 0.000 1.171 379 G CA 2.057 47.166 45.100 0.015 0.000 0.775 379 G HN 0.241 8.407 8.290 -0.015 0.115 0.543 380 M N 1.437 121.050 119.600 0.022 0.000 2.132 380 M HA -0.403 nan 4.480 nan 0.000 0.263 380 M C 1.820 178.173 176.300 0.088 0.000 1.065 380 M CA 4.157 59.494 55.300 0.061 0.000 1.122 380 M CB -0.029 32.581 32.600 0.017 0.000 1.365 380 M HN -0.111 8.175 8.290 -0.008 0.000 0.411 381 E N 0.209 120.432 120.200 0.038 0.000 2.051 381 E HA -0.386 nan 4.350 nan 0.000 0.192 381 E C 2.190 178.781 176.600 -0.015 0.000 0.991 381 E CA 3.346 59.749 56.400 0.005 0.000 0.799 381 E CB -0.166 29.530 29.700 -0.006 0.000 0.748 381 E HN -0.106 8.268 8.360 0.023 0.000 0.449 382 S N -0.375 115.347 115.700 0.038 0.000 2.355 382 S HA -0.281 nan 4.470 nan 0.000 0.222 382 S C 1.936 176.589 174.600 0.089 0.000 1.031 382 S CA 3.125 61.368 58.200 0.071 0.000 0.993 382 S CB -0.047 63.249 63.200 0.161 0.000 0.859 382 S HN -0.081 8.264 8.310 0.058 0.000 0.453 383 F N 2.046 121.992 119.950 -0.007 0.000 2.161 383 F HA -0.374 nan 4.527 nan 0.000 0.300 383 F C 0.934 176.720 175.800 -0.023 0.000 1.089 383 F CA 3.141 61.138 58.000 -0.006 0.000 1.282 383 F CB 0.159 39.142 39.000 -0.028 0.000 1.010 383 F HN 0.234 8.695 8.300 0.268 0.000 0.485 384 N N -0.689 118.008 118.700 -0.005 0.000 2.062 384 N HA -0.414 nan 4.740 nan 0.000 0.191 384 N C 1.771 177.170 175.510 -0.184 0.000 1.042 384 N CA 3.744 56.733 53.050 -0.101 0.000 0.845 384 N CB 0.246 38.727 38.487 -0.011 0.000 1.024 384 N HN 0.137 8.574 8.380 0.119 0.015 0.424 385 K N -1.792 118.471 120.400 -0.227 0.000 2.217 385 K HA -0.167 nan 4.320 nan 0.000 0.202 385 K C 2.018 178.418 176.600 -0.333 0.000 1.051 385 K CA 2.477 58.577 56.287 -0.312 0.000 0.952 385 K CB -0.180 32.076 32.500 -0.407 0.000 0.736 385 K HN -0.382 7.743 8.250 -0.209 0.000 0.453 386 H N -4.344 114.674 119.070 -0.086 0.000 2.586 386 H HA 0.185 nan 4.556 nan 0.000 0.273 386 H C -0.876 174.365 175.328 -0.144 0.000 0.997 386 H CA 0.084 56.081 56.048 -0.085 0.000 1.177 386 H CB 0.319 30.053 29.762 -0.046 0.000 1.471 386 H HN -0.051 8.034 8.280 -0.282 0.026 0.538 387 C N -1.913 117.274 119.300 -0.188 0.000 3.166 387 C HA 0.223 nan 4.460 nan 0.000 0.354 387 C C 0.118 174.901 174.990 -0.345 0.000 2.030 387 C CA 0.259 59.089 59.018 -0.314 0.000 1.866 387 C CB 1.488 28.889 27.740 -0.565 0.000 2.020 387 C HN -0.516 7.515 8.230 -0.245 0.052 0.618 388 A N 2.098 124.590 122.820 -0.547 0.000 1.903 388 A HA -0.329 nan 4.320 nan 0.000 0.219 388 A C 2.020 179.548 177.584 -0.093 0.000 1.191 388 A CA 3.450 55.312 52.037 -0.291 0.000 0.638 388 A CB -0.572 18.288 19.000 -0.234 0.000 0.823 388 A HN 0.265 7.914 8.150 -0.834 0.000 0.451 389 V N -6.771 113.086 119.914 -0.095 0.000 2.720 389 V HA -0.241 nan 4.120 nan 0.000 0.256 389 V C 1.563 177.654 176.094 -0.006 0.000 1.082 389 V CA 2.355 64.630 62.300 -0.041 0.000 1.101 389 V CB -1.096 30.698 31.823 -0.049 0.000 0.693 389 V HN -0.168 7.937 8.190 -0.141 0.000 0.479 390 G N -2.109 106.685 108.800 -0.010 0.000 3.502 390 G HA2 0.199 nan 3.960 nan 0.000 0.267 390 G HA3 0.199 nan 3.960 nan 0.000 0.267 390 G C -0.528 174.406 174.900 0.057 0.000 1.090 390 G CA -1.329 43.786 45.100 0.024 0.000 0.795 390 G HN -0.500 7.615 8.290 -0.049 0.146 0.535 391 I N 2.135 122.758 120.570 0.088 0.000 2.668 391 I HA -0.266 nan 4.170 nan 0.000 0.285 391 I C -0.851 175.380 176.117 0.191 0.000 1.168 391 I CA 1.819 63.202 61.300 0.139 0.000 1.424 391 I CB 0.105 38.234 38.000 0.215 0.000 1.377 391 I HN -0.802 7.452 8.210 0.073 0.000 0.560 392 E N 7.552 127.797 120.200 0.075 0.000 2.293 392 E HA 0.611 nan 4.350 nan 0.000 0.270 392 E C -2.557 173.943 176.600 -0.167 0.000 0.879 392 E CA -3.538 52.854 56.400 -0.013 0.000 0.756 392 E CB 2.920 32.631 29.700 0.018 0.000 1.208 392 E HN 0.376 8.764 8.360 0.047 0.000 0.428 393 P HA 0.299 nan 4.420 nan 0.000 0.282 393 P C -0.976 176.222 177.300 -0.169 0.000 1.249 393 P CA -0.859 62.036 63.100 -0.341 0.000 0.806 393 P CB 0.736 32.097 31.700 -0.566 0.000 0.984 394 N N 4.194 122.829 118.700 -0.108 0.000 2.949 394 N HA 0.228 nan 4.740 nan 0.000 0.243 394 N C 0.445 175.921 175.510 -0.057 0.000 1.113 394 N CA -1.570 51.444 53.050 -0.060 0.000 0.980 394 N CB -0.743 37.725 38.487 -0.031 0.000 1.256 394 N HN 0.410 8.626 8.380 -0.107 0.100 0.508 395 R N 2.245 122.706 120.500 -0.064 0.000 2.133 395 R HA -0.512 nan 4.340 nan 0.000 0.247 395 R C 1.059 177.345 176.300 -0.024 0.000 1.151 395 R CA 4.732 60.803 56.100 -0.048 0.000 0.971 395 R CB -0.285 29.991 30.300 -0.040 0.000 0.866 395 R HN -0.647 7.552 8.270 -0.072 0.028 0.447 396 E N -1.774 118.416 120.200 -0.018 0.000 2.047 396 E HA -0.288 nan 4.350 nan 0.000 0.191 396 E C 2.167 178.765 176.600 -0.004 0.000 0.987 396 E CA 2.746 59.141 56.400 -0.008 0.000 0.799 396 E CB -1.483 28.214 29.700 -0.005 0.000 0.752 396 E HN 0.200 8.528 8.360 -0.021 0.020 0.449 397 R N 0.142 120.639 120.500 -0.006 0.000 2.075 397 R HA -0.187 nan 4.340 nan 0.000 0.232 397 R C 2.270 178.571 176.300 0.003 0.000 1.126 397 R CA 2.068 58.169 56.100 0.001 0.000 0.963 397 R CB -0.972 29.329 30.300 0.003 0.000 0.858 397 R HN -0.782 7.481 8.270 -0.011 0.000 0.435 398 I N -0.343 120.223 120.570 -0.007 0.000 2.208 398 I HA -0.624 nan 4.170 nan 0.000 0.245 398 I C 1.892 178.011 176.117 0.004 0.000 1.097 398 I CA 4.311 65.607 61.300 -0.006 0.000 1.363 398 I CB -0.552 37.433 38.000 -0.025 0.000 1.051 398 I HN 0.344 8.543 8.210 -0.017 0.000 0.413 399 N N -1.090 117.612 118.700 0.003 0.000 2.188 399 N HA -0.306 nan 4.740 nan 0.000 0.184 399 N C 2.222 177.744 175.510 0.019 0.000 1.018 399 N CA 3.431 56.489 53.050 0.013 0.000 0.858 399 N CB -0.291 38.203 38.487 0.011 0.000 0.989 399 N HN -0.294 8.084 8.380 -0.003 0.000 0.426 400 Q N 1.186 120.994 119.800 0.015 0.000 2.050 400 Q HA -0.270 nan 4.340 nan 0.000 0.202 400 Q C 2.404 178.417 176.000 0.022 0.000 0.980 400 Q CA 3.420 59.233 55.803 0.016 0.000 0.840 400 Q CB 0.046 28.792 28.738 0.012 0.000 0.898 400 Q HN -0.156 8.040 8.270 0.010 0.079 0.424 401 L N -0.990 120.247 121.223 0.022 0.000 2.017 401 L HA -0.392 nan 4.340 nan 0.000 0.208 401 L C 2.488 179.377 176.870 0.031 0.000 1.073 401 L CA 2.774 57.630 54.840 0.026 0.000 0.745 401 L CB -0.230 41.845 42.059 0.026 0.000 0.894 401 L HN -0.121 8.120 8.230 0.018 0.000 0.432 402 L N -1.997 119.245 121.223 0.031 0.000 2.012 402 L HA -0.467 nan 4.340 nan 0.000 0.210 402 L C 2.857 179.760 176.870 0.055 0.000 1.073 402 L CA 3.107 57.970 54.840 0.039 0.000 0.748 402 L CB -0.375 41.705 42.059 0.035 0.000 0.891 402 L HN -0.139 8.106 8.230 0.026 0.000 0.431 403 N N -2.082 116.652 118.700 0.056 0.000 2.396 403 N HA -0.218 nan 4.740 nan 0.000 0.180 403 N C 1.421 176.968 175.510 0.062 0.000 1.028 403 N CA 2.324 55.418 53.050 0.074 0.000 0.893 403 N CB -0.492 38.032 38.487 0.061 0.000 0.967 403 N HN -0.134 8.273 8.380 0.045 0.000 0.440 404 E N -2.282 117.945 120.200 0.045 0.000 2.447 404 E HA 0.028 nan 4.350 nan 0.000 0.195 404 E C -0.079 176.549 176.600 0.047 0.000 1.028 404 E CA 0.124 56.546 56.400 0.038 0.000 0.876 404 E CB 0.864 30.580 29.700 0.027 0.000 0.885 404 E HN -0.586 7.657 8.360 0.041 0.141 0.500 405 S N -1.645 114.087 115.700 0.054 0.000 2.624 405 S HA -0.022 nan 4.470 nan 0.000 0.263 405 S C 0.223 174.863 174.600 0.066 0.000 1.287 405 S CA -0.619 57.613 58.200 0.053 0.000 0.990 405 S CB 1.839 65.066 63.200 0.044 0.000 0.950 405 S HN -0.780 7.414 8.310 0.055 0.149 0.561 406 L N -1.121 120.136 121.223 0.057 0.000 2.616 406 L HA 0.133 nan 4.340 nan 0.000 0.229 406 L C 1.967 178.863 176.870 0.043 0.000 1.110 406 L CA 1.067 55.942 54.840 0.058 0.000 0.884 406 L CB 0.084 42.171 42.059 0.046 0.000 1.115 406 L HN 0.613 8.871 8.230 0.046 0.000 0.481 407 M N -0.663 118.958 119.600 0.035 0.000 2.460 407 M HA -0.212 nan 4.480 nan 0.000 0.263 407 M C 1.698 178.014 176.300 0.027 0.000 1.071 407 M CA 1.755 57.069 55.300 0.024 0.000 1.096 407 M CB -1.532 31.079 32.600 0.018 0.000 1.408 407 M HN -0.272 7.981 8.290 0.038 0.059 0.463 408 L N -3.061 118.188 121.223 0.044 0.000 2.599 408 L HA -0.047 nan 4.340 nan 0.000 0.230 408 L C 1.689 178.574 176.870 0.025 0.000 1.141 408 L CA 0.569 55.430 54.840 0.035 0.000 0.877 408 L CB -1.391 40.697 42.059 0.050 0.000 1.009 408 L HN -0.343 7.885 8.230 0.061 0.039 0.447 409 V N 1.133 121.070 119.914 0.038 0.000 2.469 409 V HA -0.479 nan 4.120 nan 0.000 0.251 409 V C 1.311 177.405 176.094 -0.001 0.000 1.064 409 V CA 3.950 66.270 62.300 0.032 0.000 1.066 409 V CB -0.474 31.362 31.823 0.022 0.000 0.667 409 V HN -0.387 7.754 8.190 0.042 0.074 0.461 410 T N 1.569 116.119 114.554 -0.006 0.000 2.721 410 T HA -0.370 nan 4.350 nan 0.000 0.268 410 T C 1.823 176.513 174.700 -0.017 0.000 1.038 410 T CA 4.505 66.599 62.100 -0.010 0.000 1.145 410 T CB -0.758 68.110 68.868 -0.000 0.000 0.858 410 T HN -0.115 8.105 8.240 0.000 0.020 0.459 411 A N 0.829 123.642 122.820 -0.012 0.000 2.172 411 A HA -0.146 nan 4.320 nan 0.000 0.216 411 A C 1.299 178.905 177.584 0.036 0.000 1.154 411 A CA 2.495 54.532 52.037 -0.001 0.000 0.701 411 A CB -0.832 18.169 19.000 0.001 0.000 0.789 411 A HN -0.404 7.711 8.150 -0.012 0.028 0.465 412 L N -4.069 117.168 121.223 0.024 0.000 2.375 412 L HA -0.282 nan 4.340 nan 0.000 0.215 412 L C 1.440 178.282 176.870 -0.047 0.000 1.108 412 L CA 1.647 56.520 54.840 0.056 0.000 0.830 412 L CB -0.632 41.484 42.059 0.096 0.000 0.959 412 L HN 0.193 8.255 8.230 0.004 0.171 0.457 413 N N 0.535 119.194 118.700 -0.069 0.000 2.037 413 N HA -0.386 nan 4.740 nan 0.000 0.196 413 N C 2.178 177.586 175.510 -0.170 0.000 1.034 413 N CA 3.630 56.631 53.050 -0.080 0.000 0.861 413 N CB -0.648 37.825 38.487 -0.023 0.000 1.039 413 N HN -0.385 7.862 8.380 -0.047 0.105 0.427 414 T N -6.103 108.269 114.554 -0.304 0.000 3.051 414 T HA -0.014 nan 4.350 nan 0.000 0.269 414 T C 1.081 175.410 174.700 -0.618 0.000 1.127 414 T CA 2.334 64.166 62.100 -0.447 0.000 1.107 414 T CB -0.723 67.822 68.868 -0.538 0.000 0.898 414 T HN 0.264 8.333 8.240 -0.284 0.000 0.517 415 H N 0.940 119.747 119.070 -0.439 0.000 2.460 415 H HA 0.138 nan 4.556 nan 0.000 0.297 415 H C 1.195 176.261 175.328 -0.436 0.000 1.023 415 H CA 1.402 57.035 56.048 -0.691 0.000 1.321 415 H CB 1.812 30.610 29.762 -1.606 0.000 1.455 415 H HN -0.201 7.615 8.280 -0.458 0.189 0.539 416 I N -8.259 112.209 120.570 -0.171 0.000 4.240 416 I HA 0.397 nan 4.170 nan 0.000 0.331 416 I C -0.506 175.561 176.117 -0.084 0.000 1.381 416 I CA -0.428 60.821 61.300 -0.086 0.000 1.136 416 I CB 1.731 39.731 38.000 -0.000 0.000 1.137 416 I HN -0.124 7.988 8.210 -0.163 0.000 0.411 417 G N 0.181 108.934 108.800 -0.078 0.000 2.692 417 G HA2 -0.309 nan 3.960 nan 0.000 0.686 417 G HA3 -0.309 nan 3.960 nan 0.000 0.686 417 G C -0.813 174.099 174.900 0.019 0.000 1.243 417 G CA -0.545 44.538 45.100 -0.028 0.000 0.782 417 G HN -0.518 7.618 8.290 -0.110 0.088 0.625 418 Y N 2.014 122.282 120.300 -0.054 0.000 2.181 418 Y HA -0.431 nan 4.550 nan 0.000 0.288 418 Y C 0.550 176.442 175.900 -0.013 0.000 1.146 418 Y CA 2.996 61.077 58.100 -0.031 0.000 1.164 418 Y CB 0.020 38.461 38.460 -0.031 0.000 0.982 418 Y HN 0.452 8.837 8.280 0.174 0.000 0.515 419 D N -2.706 117.806 120.400 0.187 0.000 2.123 419 D HA -0.273 nan 4.640 nan 0.000 0.196 419 D C 2.693 178.991 176.300 -0.002 0.000 0.992 419 D CA 4.235 58.299 54.000 0.106 0.000 0.833 419 D CB -0.832 40.029 40.800 0.101 0.000 0.954 419 D HN 0.463 8.963 8.370 0.216 0.000 0.455 420 K N -0.562 119.813 120.400 -0.042 0.000 2.103 420 K HA -0.168 nan 4.320 nan 0.000 0.204 420 K C 2.018 178.642 176.600 0.041 0.000 1.052 420 K CA 2.666 58.926 56.287 -0.046 0.000 0.945 420 K CB -0.130 32.203 32.500 -0.279 0.000 0.722 420 K HN -0.141 8.080 8.250 -0.049 0.000 0.443 421 A N -0.755 122.041 122.820 -0.040 0.000 1.877 421 A HA -0.219 nan 4.320 nan 0.000 0.216 421 A C 1.925 179.449 177.584 -0.100 0.000 1.186 421 A CA 2.998 55.005 52.037 -0.049 0.000 0.620 421 A CB -0.907 18.020 19.000 -0.121 0.000 0.822 421 A HN -0.449 7.657 8.150 -0.074 0.000 0.443 422 A N -2.293 120.379 122.820 -0.246 0.000 1.933 422 A HA -0.323 nan 4.320 nan 0.000 0.218 422 A C 1.894 179.450 177.584 -0.046 0.000 1.175 422 A CA 3.028 54.932 52.037 -0.222 0.000 0.628 422 A CB -0.874 17.929 19.000 -0.328 0.000 0.814 422 A HN 0.272 8.215 8.150 -0.344 0.000 0.444 423 E N -0.373 119.839 120.200 0.020 0.000 2.051 423 E HA -0.309 nan 4.350 nan 0.000 0.192 423 E C 2.336 178.991 176.600 0.092 0.000 0.991 423 E CA 2.925 59.378 56.400 0.087 0.000 0.799 423 E CB -0.036 29.768 29.700 0.174 0.000 0.748 423 E HN -0.620 7.649 8.360 0.009 0.097 0.449 424 I N -0.254 120.389 120.570 0.122 0.000 2.208 424 I HA -0.520 nan 4.170 nan 0.000 0.245 424 I C 1.731 177.894 176.117 0.077 0.000 1.097 424 I CA 3.684 65.050 61.300 0.109 0.000 1.363 424 I CB -0.220 37.882 38.000 0.169 0.000 1.051 424 I HN -0.045 8.252 8.210 0.144 0.000 0.413 425 A N -0.573 122.282 122.820 0.057 0.000 1.877 425 A HA -0.366 nan 4.320 nan 0.000 0.216 425 A C 1.833 179.460 177.584 0.072 0.000 1.186 425 A CA 3.493 55.560 52.037 0.050 0.000 0.620 425 A CB -0.923 18.078 19.000 0.002 0.000 0.822 425 A HN 0.054 8.228 8.150 0.040 0.000 0.443 426 K N -1.791 118.645 120.400 0.061 0.000 2.063 426 K HA -0.380 nan 4.320 nan 0.000 0.208 426 K C 2.326 178.984 176.600 0.097 0.000 1.048 426 K CA 3.492 59.834 56.287 0.091 0.000 0.928 426 K CB -0.233 32.307 32.500 0.067 0.000 0.713 426 K HN -0.042 8.231 8.250 0.038 0.000 0.442 427 K N -0.864 119.572 120.400 0.061 0.000 2.026 427 K HA -0.296 nan 4.320 nan 0.000 0.208 427 K C 2.115 178.730 176.600 0.026 0.000 1.048 427 K CA 3.071 59.376 56.287 0.030 0.000 0.929 427 K CB 0.020 32.525 32.500 0.008 0.000 0.713 427 K HN -0.243 8.041 8.250 0.057 0.000 0.439 428 A N -2.099 120.747 122.820 0.044 0.000 1.908 428 A HA -0.284 nan 4.320 nan 0.000 0.218 428 A C 2.262 179.880 177.584 0.056 0.000 1.181 428 A CA 3.202 55.263 52.037 0.040 0.000 0.627 428 A CB -0.961 18.073 19.000 0.056 0.000 0.818 428 A HN -0.016 8.166 8.150 0.054 0.000 0.445 429 H N 0.062 119.135 119.070 0.005 0.000 2.321 429 H HA -0.202 nan 4.556 nan 0.000 0.300 429 H C 2.180 177.509 175.328 0.002 0.000 1.087 429 H CA 3.095 59.147 56.048 0.005 0.000 1.319 429 H CB 0.176 29.943 29.762 0.008 0.000 1.379 429 H HN -0.111 8.279 8.280 0.184 0.000 0.501 430 K N -1.269 119.046 120.400 -0.141 0.000 2.097 430 K HA -0.079 nan 4.320 nan 0.000 0.205 430 K C 1.493 178.010 176.600 -0.137 0.000 1.050 430 K CA 2.066 58.247 56.287 -0.177 0.000 0.938 430 K CB 0.281 32.753 32.500 -0.046 0.000 0.718 430 K HN -0.098 8.169 8.250 0.027 0.000 0.442 431 E N -3.565 116.585 120.200 -0.084 0.000 2.474 431 E HA 0.066 nan 4.350 nan 0.000 0.195 431 E C 0.326 176.888 176.600 -0.063 0.000 1.039 431 E CA -0.363 55.998 56.400 -0.065 0.000 0.881 431 E CB 0.666 30.339 29.700 -0.044 0.000 0.970 431 E HN -0.264 8.061 8.360 -0.059 0.000 0.486 432 G N -0.227 108.529 108.800 -0.074 0.000 2.298 432 G HA2 -0.387 nan 3.960 nan 0.000 0.287 432 G HA3 -0.387 nan 3.960 nan 0.000 0.287 432 G C -0.980 173.902 174.900 -0.031 0.000 1.075 432 G CA 0.763 45.832 45.100 -0.051 0.000 0.960 432 G HN -0.366 7.817 8.290 -0.098 0.047 0.502 433 L N -1.974 119.236 121.223 -0.022 0.000 2.303 433 L HA 0.383 nan 4.340 nan 0.000 0.266 433 L C 0.048 176.911 176.870 -0.012 0.000 1.011 433 L CA -1.211 53.614 54.840 -0.025 0.000 0.818 433 L CB 3.081 45.119 42.059 -0.035 0.000 1.326 433 L HN 0.053 8.155 8.230 -0.016 0.119 0.435 434 T N -4.001 110.533 114.554 -0.032 0.000 2.849 434 T HA 0.231 nan 4.350 nan 0.000 0.284 434 T C 0.863 175.543 174.700 -0.033 0.000 1.004 434 T CA -1.153 60.932 62.100 -0.026 0.000 1.021 434 T CB 1.105 69.937 68.868 -0.061 0.000 1.013 434 T HN -0.222 7.988 8.240 -0.049 0.000 0.527 435 L N 1.378 122.614 121.223 0.022 0.000 2.042 435 L HA -0.428 nan 4.340 nan 0.000 0.210 435 L C 1.571 178.391 176.870 -0.083 0.000 1.076 435 L CA 3.884 58.777 54.840 0.088 0.000 0.749 435 L CB -0.646 41.595 42.059 0.303 0.000 0.893 435 L HN 0.803 9.071 8.230 0.063 0.000 0.432 436 K N -1.299 118.796 120.400 -0.508 0.000 2.026 436 K HA -0.413 nan 4.320 nan 0.000 0.208 436 K C 1.753 178.106 176.600 -0.411 0.000 1.048 436 K CA 3.344 59.047 56.287 -0.975 0.000 0.929 436 K CB -0.334 31.424 32.500 -1.236 0.000 0.713 436 K HN -0.264 7.733 8.250 -0.421 0.000 0.439 437 A N -1.541 121.122 122.820 -0.261 0.000 1.902 437 A HA -0.236 nan 4.320 nan 0.000 0.217 437 A C 2.080 179.593 177.584 -0.117 0.000 1.181 437 A CA 2.894 54.834 52.037 -0.160 0.000 0.623 437 A CB -0.930 18.000 19.000 -0.116 0.000 0.818 437 A HN -0.531 7.468 8.150 -0.252 0.000 0.443 438 A N -2.248 120.519 122.820 -0.089 0.000 1.898 438 A HA -0.279 nan 4.320 nan 0.000 0.216 438 A C 1.849 179.395 177.584 -0.064 0.000 1.181 438 A CA 2.774 54.776 52.037 -0.059 0.000 0.620 438 A CB -0.655 18.336 19.000 -0.015 0.000 0.819 438 A HN -0.091 8.007 8.150 -0.088 0.000 0.442 439 A N -0.923 121.880 122.820 -0.028 0.000 1.902 439 A HA -0.259 nan 4.320 nan 0.000 0.217 439 A C 1.943 179.508 177.584 -0.032 0.000 1.181 439 A CA 3.025 55.083 52.037 0.036 0.000 0.623 439 A CB -0.613 18.492 19.000 0.175 0.000 0.818 439 A HN 0.060 8.186 8.150 -0.039 0.000 0.443 440 L N -2.328 118.850 121.223 -0.076 0.000 2.109 440 L HA -0.259 nan 4.340 nan 0.000 0.207 440 L C 2.498 179.311 176.870 -0.094 0.000 1.086 440 L CA 2.238 57.031 54.840 -0.079 0.000 0.760 440 L CB -0.896 41.100 42.059 -0.104 0.000 0.910 440 L HN 0.026 8.190 8.230 -0.111 0.000 0.437 441 A N -0.637 122.118 122.820 -0.108 0.000 1.908 441 A HA -0.203 nan 4.320 nan 0.000 0.218 441 A C 1.664 179.158 177.584 -0.150 0.000 1.181 441 A CA 2.456 54.427 52.037 -0.109 0.000 0.627 441 A CB -0.058 18.883 19.000 -0.098 0.000 0.818 441 A HN -0.215 7.871 8.150 -0.106 0.000 0.445 442 L N -3.309 117.771 121.223 -0.238 0.000 2.313 442 L HA -0.105 nan 4.340 nan 0.000 0.214 442 L C 1.033 177.661 176.870 -0.402 0.000 1.119 442 L CA 0.191 54.765 54.840 -0.444 0.000 0.809 442 L CB 0.035 41.592 42.059 -0.836 0.000 0.933 442 L HN -0.410 7.684 8.230 -0.214 0.007 0.449 443 G N -3.273 105.405 108.800 -0.202 0.000 2.176 443 G HA2 -0.388 nan 3.960 nan 0.000 0.252 443 G HA3 -0.388 nan 3.960 nan 0.000 0.252 443 G C 0.568 175.542 174.900 0.124 0.000 1.024 443 G CA 0.670 45.744 45.100 -0.042 0.000 0.755 443 G HN -0.424 7.593 8.290 -0.168 0.172 0.507 444 Y N -1.315 119.024 120.300 0.064 0.000 2.519 444 Y HA -0.035 nan 4.550 nan 0.000 0.287 444 Y C -0.302 175.678 175.900 0.133 0.000 1.128 444 Y CA -0.302 57.858 58.100 0.100 0.000 1.282 444 Y CB 0.695 39.224 38.460 0.115 0.000 1.027 444 Y HN -0.518 7.737 8.280 -0.006 0.021 0.551 445 L N -9.147 112.222 121.223 0.245 0.000 2.775 445 L HA 0.434 nan 4.340 nan 0.000 0.263 445 L C -2.051 174.834 176.870 0.024 0.000 1.017 445 L CA -1.463 53.454 54.840 0.129 0.000 0.891 445 L CB 3.035 45.186 42.059 0.153 0.000 1.482 445 L HN -0.924 7.385 8.230 0.187 0.033 0.410 446 S N -1.768 113.888 115.700 -0.073 0.000 2.693 446 S HA 0.250 nan 4.470 nan 0.000 0.276 446 S C 0.610 175.156 174.600 -0.090 0.000 1.192 446 S CA -1.035 57.118 58.200 -0.079 0.000 0.994 446 S CB 2.747 65.889 63.200 -0.096 0.000 1.012 446 S HN 0.248 8.782 8.310 -0.149 -0.314 0.550 447 E N 1.588 121.743 120.200 -0.075 0.000 2.110 447 E HA -0.294 nan 4.350 nan 0.000 0.193 447 E C 1.691 178.255 176.600 -0.059 0.000 0.988 447 E CA 3.318 59.681 56.400 -0.060 0.000 0.804 447 E CB -0.518 29.138 29.700 -0.072 0.000 0.745 447 E HN 0.732 9.049 8.360 -0.072 0.000 0.458 448 A N -1.503 121.253 122.820 -0.107 0.000 1.908 448 A HA -0.232 nan 4.320 nan 0.000 0.218 448 A C 2.365 179.791 177.584 -0.262 0.000 1.181 448 A CA 2.946 54.900 52.037 -0.138 0.000 0.627 448 A CB -0.939 17.984 19.000 -0.128 0.000 0.818 448 A HN 0.189 8.279 8.150 -0.101 0.000 0.445 449 E N -0.913 119.034 120.200 -0.422 0.000 2.077 449 E HA -0.364 nan 4.350 nan 0.000 0.193 449 E C 2.263 178.333 176.600 -0.883 0.000 0.989 449 E CA 2.568 58.394 56.400 -0.957 0.000 0.800 449 E CB -0.084 28.858 29.700 -1.263 0.000 0.746 449 E HN -0.704 7.459 8.360 -0.328 0.000 0.452 450 F N 1.204 120.859 119.950 -0.492 0.000 2.095 450 F HA -0.438 nan 4.527 nan 0.000 0.298 450 F C 1.177 176.900 175.800 -0.129 0.000 1.104 450 F CA 3.666 61.548 58.000 -0.196 0.000 1.232 450 F CB 0.189 39.135 39.000 -0.091 0.000 0.987 450 F HN -0.131 8.082 8.300 -0.146 0.000 0.475 451 D N -1.396 119.066 120.400 0.104 0.000 2.149 451 D HA -0.362 nan 4.640 nan 0.000 0.198 451 D C 2.775 179.047 176.300 -0.047 0.000 0.990 451 D CA 3.781 57.818 54.000 0.061 0.000 0.839 451 D CB -0.697 40.125 40.800 0.037 0.000 0.948 451 D HN 0.181 8.607 8.370 0.093 0.000 0.460 452 S N -1.027 114.584 115.700 -0.148 0.000 2.414 452 S HA -0.142 nan 4.470 nan 0.000 0.227 452 S C 1.216 175.827 174.600 0.020 0.000 1.022 452 S CA 2.198 60.338 58.200 -0.100 0.000 0.958 452 S CB 0.307 63.408 63.200 -0.166 0.000 0.797 452 S HN -0.319 7.764 8.310 -0.242 0.082 0.493 453 W N -1.725 119.437 121.300 -0.230 0.000 2.494 453 W HA -0.007 nan 4.660 nan 0.000 0.286 453 W C 0.896 177.290 176.519 -0.209 0.000 1.218 453 W CA -0.567 56.597 57.345 -0.301 0.000 1.313 453 W CB 0.514 29.668 29.460 -0.511 0.000 1.105 453 W HN -0.343 7.700 8.180 -0.229 0.000 0.561 454 V N 0.694 120.542 119.914 -0.110 0.000 2.153 454 V HA -0.081 nan 4.120 nan 0.000 0.250 454 V C -0.325 175.730 176.094 -0.065 0.000 1.334 454 V CA -0.157 62.030 62.300 -0.188 0.000 1.249 454 V CB -2.309 29.183 31.823 -0.552 0.000 1.371 454 V HN -0.219 7.836 8.190 -0.224 0.000 0.498 455 R N 7.275 127.773 120.500 -0.003 0.000 2.280 455 R HA 0.499 nan 4.340 nan 0.000 0.326 455 R C -0.853 175.456 176.300 0.014 0.000 1.080 455 R CA -4.510 51.599 56.100 0.015 0.000 1.002 455 R CB -0.761 29.558 30.300 0.032 0.000 1.136 455 R HN -0.415 7.985 8.270 0.019 -0.119 0.509 456 P HA -0.193 nan 4.420 nan 0.000 0.221 456 P C 0.341 177.649 177.300 0.014 0.000 1.145 456 P CA 2.185 65.294 63.100 0.015 0.000 0.795 456 P CB 0.121 31.833 31.700 0.021 0.000 0.775 457 E N -4.166 116.044 120.200 0.016 0.000 2.268 457 E HA -0.203 nan 4.350 nan 0.000 0.195 457 E C 1.189 177.796 176.600 0.013 0.000 0.995 457 E CA 1.711 58.120 56.400 0.015 0.000 0.836 457 E CB -1.258 28.453 29.700 0.017 0.000 0.763 457 E HN 0.454 8.774 8.360 0.018 0.051 0.491 458 Q N -1.279 118.529 119.800 0.014 0.000 2.735 458 Q HA 0.128 nan 4.340 nan 0.000 0.380 458 Q C -0.589 175.414 176.000 0.006 0.000 1.060 458 Q CA -1.388 54.421 55.803 0.011 0.000 1.025 458 Q CB -1.230 27.517 28.738 0.016 0.000 1.350 458 Q HN -0.389 7.744 8.270 0.016 0.146 0.424 459 M N 0.000 119.603 119.600 0.004 0.000 2.572 459 M HA 0.000 nan 4.480 nan 0.000 0.227 459 M CA 0.000 55.301 55.300 0.002 0.000 0.988 459 M CB 0.000 32.602 32.600 0.003 0.000 1.302 459 M HN 0.000 8.222 8.290 0.006 0.072 0.411