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 1tlp_1_E DATA FIRST_RESID 1 DATA SEQUENCE ITGTSTVGVG RGVLGDQKNI NTTYSTYYYL QDNTRGDGIF TYDAKYRTTL DATA SEQUENCE PGSLWADADN QFFASYDAPA VDAHYYAGVT YDYYKNVHNR LSYDGNNAAI DATA SEQUENCE RSSVHYSQGY NNAFWNGSEM VYGDGDGQTF IPLSGGIDVV AHELTHAVTD DATA SEQUENCE YTAGLIYQNE SGAINEAISD IFGTLVEFYA NKNPDWEIGE DVYTPGISGD DATA SEQUENCE SLRSMSDPAK YGDPDHYSKR YTGTQDNGGV HINSGIINKA AYLISQGGTH DATA SEQUENCE YGVSVVGIGR DKLGKIFYRA LTQYLTPTSN FSQLRAAAVQ SATDLYGSTS DATA SEQUENCE QEVASVKQAF DAVGVK 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 I HA 0.000 nan 4.170 nan 0.000 0.288 1 I C 0.000 176.113 176.117 -0.007 0.000 1.063 1 I CA 0.000 61.243 61.300 -0.095 0.000 1.566 1 I CB 0.000 37.786 38.000 -0.357 0.000 1.214 2 T N 4.437 118.981 114.554 -0.016 0.000 2.749 2 T HA 0.806 5.156 4.350 -0.000 0.000 0.287 2 T C 0.102 174.809 174.700 0.011 0.000 0.970 2 T CA -0.124 61.982 62.100 0.010 0.000 0.980 2 T CB 1.267 70.138 68.868 0.004 0.000 0.924 2 T HN 0.899 nan 8.240 nan 0.000 0.456 3 G N 1.296 110.117 108.800 0.035 0.000 2.494 3 G HA2 0.482 4.442 3.960 -0.000 0.000 0.308 3 G HA3 0.482 4.442 3.960 -0.000 0.000 0.308 3 G C -1.094 173.850 174.900 0.075 0.000 1.263 3 G CA -0.587 44.537 45.100 0.040 0.000 0.840 3 G HN 0.545 nan 8.290 nan 0.000 0.479 4 T N 1.010 115.633 114.554 0.115 0.000 2.743 4 T HA 0.526 4.876 4.350 -0.000 0.000 0.293 4 T C 0.472 175.271 174.700 0.165 0.000 0.945 4 T CA -0.050 62.137 62.100 0.145 0.000 1.030 4 T CB 0.075 69.047 68.868 0.174 0.000 0.912 4 T HN 0.547 nan 8.240 nan 0.000 0.483 5 S N 4.105 119.875 115.700 0.116 0.000 2.516 5 S HA 0.418 4.888 4.470 -0.000 0.000 0.282 5 S C 0.698 175.373 174.600 0.124 0.000 1.286 5 S CA -0.597 57.668 58.200 0.109 0.000 1.066 5 S CB 0.452 63.688 63.200 0.061 0.000 0.884 5 S HN 0.938 nan 8.310 nan 0.000 0.491 6 T N -0.878 113.766 114.554 0.151 0.000 2.696 6 T HA 0.735 5.084 4.350 -0.000 0.000 0.291 6 T C -0.886 173.882 174.700 0.114 0.000 1.095 6 T CA -0.804 61.380 62.100 0.140 0.000 1.026 6 T CB 0.953 69.942 68.868 0.201 0.000 1.390 6 T HN 0.286 nan 8.240 nan 0.000 0.513 7 V N 0.445 120.408 119.914 0.082 0.000 2.577 7 V HA 0.774 4.893 4.120 -0.000 0.000 0.303 7 V C 0.649 176.771 176.094 0.047 0.000 1.042 7 V CA -0.311 62.026 62.300 0.063 0.000 0.872 7 V CB 1.476 33.324 31.823 0.041 0.000 0.998 7 V HN 1.337 nan 8.190 nan 0.000 0.423 8 G N 2.794 111.635 108.800 0.068 0.000 2.601 8 G HA2 0.784 4.744 3.960 -0.000 0.000 0.317 8 G HA3 0.784 4.744 3.960 -0.000 0.000 0.317 8 G C -0.911 174.020 174.900 0.053 0.000 1.246 8 G CA -0.643 44.510 45.100 0.089 0.000 1.012 8 G HN 0.808 nan 8.290 nan 0.000 0.494 9 V N -1.462 118.485 119.914 0.055 0.000 2.823 9 V HA 0.990 5.110 4.120 -0.000 0.000 0.312 9 V C 0.411 176.344 176.094 -0.268 0.000 1.072 9 V CA -0.151 62.122 62.300 -0.045 0.000 0.937 9 V CB 1.152 33.011 31.823 0.059 0.000 1.013 9 V HN 1.379 nan 8.190 nan 0.000 0.430 10 G N 1.837 110.362 108.800 -0.458 0.000 2.663 10 G HA2 0.704 4.664 3.960 -0.000 0.000 0.299 10 G HA3 0.704 4.664 3.960 -0.000 0.000 0.299 10 G C -1.858 172.716 174.900 -0.544 0.000 1.372 10 G CA -1.075 43.563 45.100 -0.770 0.000 0.781 10 G HN 0.755 nan 8.290 nan 0.000 0.491 11 R N -0.737 119.524 120.500 -0.398 0.000 2.599 11 R HA 0.630 4.970 4.340 -0.000 0.000 0.295 11 R C 0.629 176.844 176.300 -0.142 0.000 0.963 11 R CA 0.089 56.116 56.100 -0.121 0.000 0.883 11 R CB 1.570 31.943 30.300 0.121 0.000 1.171 11 R HN 0.868 nan 8.270 nan 0.000 0.450 12 G N 0.852 109.562 108.800 -0.149 0.000 2.563 12 G HA2 0.145 4.105 3.960 -0.000 0.000 0.283 12 G HA3 0.145 4.105 3.960 -0.000 0.000 0.283 12 G C 0.715 175.572 174.900 -0.072 0.000 1.309 12 G CA -0.582 44.422 45.100 -0.160 0.000 1.022 12 G HN 0.438 nan 8.290 nan 0.000 0.501 13 V N -0.201 119.677 119.914 -0.059 0.000 2.332 13 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 13 V C 2.734 178.838 176.094 0.018 0.000 1.055 13 V CA 1.313 63.609 62.300 -0.007 0.000 1.038 13 V CB -0.530 31.295 31.823 0.004 0.000 0.651 13 V HN 0.382 nan 8.190 nan 0.000 0.450 14 L N 0.434 121.666 121.223 0.016 0.000 2.610 14 L HA 0.263 4.603 4.340 -0.000 0.000 0.232 14 L C 1.772 178.652 176.870 0.016 0.000 1.149 14 L CA 1.475 56.329 54.840 0.022 0.000 0.872 14 L CB -0.743 41.334 42.059 0.029 0.000 0.992 14 L HN 0.515 nan 8.230 nan 0.000 0.447 15 G N -0.937 107.871 108.800 0.012 0.000 2.141 15 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.242 15 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.242 15 G C -0.042 174.869 174.900 0.017 0.000 0.982 15 G CA 0.233 45.349 45.100 0.026 0.000 0.662 15 G HN 0.478 nan 8.290 nan 0.000 0.527 16 D N 0.152 120.542 120.400 -0.017 0.000 2.302 16 D HA 0.421 5.061 4.640 -0.000 0.000 0.248 16 D C 0.206 176.468 176.300 -0.063 0.000 1.094 16 D CA -0.308 53.669 54.000 -0.040 0.000 0.897 16 D CB 1.172 41.932 40.800 -0.067 0.000 1.200 16 D HN 0.416 nan 8.370 nan 0.000 0.429 17 Q N 0.832 120.611 119.800 -0.035 0.000 2.243 17 Q HA 0.322 4.662 4.340 -0.000 0.000 0.252 17 Q C -0.711 175.213 176.000 -0.127 0.000 0.909 17 Q CA -0.660 55.129 55.803 -0.023 0.000 0.922 17 Q CB 0.818 29.605 28.738 0.081 0.000 1.215 17 Q HN 0.554 nan 8.270 nan 0.000 0.427 18 K N 1.982 122.265 120.400 -0.196 0.000 2.536 18 K HA 0.477 4.797 4.320 -0.000 0.000 0.269 18 K C -1.131 175.365 176.600 -0.173 0.000 0.965 18 K CA -1.082 55.041 56.287 -0.273 0.000 0.860 18 K CB 1.084 33.192 32.500 -0.654 0.000 1.423 18 K HN 0.387 nan 8.250 nan 0.000 0.438 19 N N 1.984 120.639 118.700 -0.076 0.000 2.479 19 N HA 0.420 5.160 4.740 -0.000 0.000 0.285 19 N C -0.218 175.319 175.510 0.045 0.000 1.075 19 N CA -0.432 52.616 53.050 -0.004 0.000 0.967 19 N CB 1.106 39.615 38.487 0.037 0.000 1.137 19 N HN 0.587 nan 8.380 nan 0.000 0.472 20 I N -1.488 119.089 120.570 0.011 0.000 2.846 20 I HA 0.505 4.675 4.170 -0.000 0.000 0.307 20 I C -0.587 175.558 176.117 0.047 0.000 1.053 20 I CA -1.119 60.208 61.300 0.044 0.000 1.050 20 I CB 1.910 39.887 38.000 -0.038 0.000 1.239 20 I HN 0.156 nan 8.210 nan 0.000 0.439 21 N N 2.378 121.118 118.700 0.066 0.000 2.444 21 N HA 0.478 5.217 4.740 -0.000 0.000 0.271 21 N C -0.342 175.255 175.510 0.145 0.000 1.069 21 N CA -0.243 52.849 53.050 0.069 0.000 0.965 21 N CB 1.448 39.932 38.487 -0.005 0.000 1.092 21 N HN 0.812 nan 8.380 nan 0.000 0.476 22 T N -1.427 113.205 114.554 0.130 0.000 2.858 22 T HA 0.615 4.965 4.350 -0.000 0.000 0.285 22 T C -0.442 174.387 174.700 0.214 0.000 1.052 22 T CA -0.743 61.462 62.100 0.175 0.000 1.009 22 T CB 1.706 70.726 68.868 0.254 0.000 1.241 22 T HN 0.184 nan 8.240 nan 0.000 0.542 23 T N 1.347 116.073 114.554 0.288 0.000 2.928 23 T HA 0.474 4.824 4.350 -0.000 0.000 0.296 23 T C -1.999 172.918 174.700 0.362 0.000 1.000 23 T CA -0.461 61.807 62.100 0.281 0.000 0.989 23 T CB 0.966 69.960 68.868 0.211 0.000 1.005 23 T HN 0.635 nan 8.240 nan 0.000 0.442 24 Y N 2.155 122.521 120.300 0.109 0.000 2.331 24 Y HA 0.630 5.180 4.550 -0.000 0.000 0.338 24 Y C -0.091 175.794 175.900 -0.025 0.000 0.992 24 Y CA -0.697 57.348 58.100 -0.091 0.000 1.121 24 Y CB 1.366 39.678 38.460 -0.248 0.000 1.184 24 Y HN 0.582 nan 8.280 nan 0.000 0.469 25 S N 4.917 120.341 115.700 -0.459 0.000 2.417 25 S HA 0.288 4.758 4.470 -0.000 0.000 0.189 25 S C 0.253 174.631 174.600 -0.370 0.000 1.005 25 S CA 0.325 58.292 58.200 -0.389 0.000 1.116 25 S CB -0.141 63.032 63.200 -0.046 0.000 1.343 25 S HN 1.273 nan 8.310 nan 0.000 0.406 26 T N 2.615 116.718 114.554 -0.752 0.000 12.892 26 T HA -0.298 4.052 4.350 -0.000 0.000 0.418 26 T C 0.102 174.503 174.700 -0.498 0.000 1.450 26 T CA 1.929 63.732 62.100 -0.495 0.000 2.382 26 T CB -1.879 66.827 68.868 -0.270 0.000 2.816 26 T HN 0.630 nan 8.240 nan 0.000 0.702 27 Y N -0.011 120.099 120.300 -0.317 0.000 2.596 27 Y HA 0.682 5.231 4.550 -0.000 0.000 0.326 27 Y C -0.013 175.620 175.900 -0.445 0.000 1.167 27 Y CA -1.067 56.821 58.100 -0.354 0.000 1.246 27 Y CB 0.963 39.093 38.460 -0.550 0.000 1.347 27 Y HN 0.316 nan 8.280 nan 0.000 0.515 28 Y N 0.763 121.102 120.300 0.064 0.000 2.335 28 Y HA 0.344 4.894 4.550 -0.000 0.000 0.339 28 Y C -1.028 174.867 175.900 -0.008 0.000 0.987 28 Y CA -0.768 57.428 58.100 0.159 0.000 1.140 28 Y CB 0.276 38.867 38.460 0.219 0.000 1.173 28 Y HN 0.360 nan 8.280 nan 0.000 0.486 29 Y N 2.131 122.644 120.300 0.356 0.000 2.457 29 Y HA 0.410 4.960 4.550 -0.000 0.000 0.333 29 Y C -0.009 175.961 175.900 0.115 0.000 1.119 29 Y CA -1.222 57.023 58.100 0.242 0.000 1.143 29 Y CB 1.085 39.627 38.460 0.136 0.000 1.230 29 Y HN 0.391 nan 8.280 nan 0.000 0.469 30 L N 3.153 124.468 121.223 0.153 0.000 2.399 30 L HA 0.222 4.562 4.340 -0.000 0.000 0.257 30 L C -0.376 176.369 176.870 -0.210 0.000 1.236 30 L CA 0.255 54.877 54.840 -0.363 0.000 1.144 30 L CB -0.285 41.386 42.059 -0.646 0.000 1.379 30 L HN 0.584 nan 8.230 nan 0.000 0.414 31 Q N 1.904 121.681 119.800 -0.038 0.000 2.295 31 Q HA 0.170 4.510 4.340 -0.000 0.000 0.259 31 Q C -1.474 174.478 176.000 -0.080 0.000 0.966 31 Q CA -0.680 55.044 55.803 -0.132 0.000 0.763 31 Q CB 2.201 30.881 28.738 -0.095 0.000 1.283 31 Q HN 0.273 nan 8.270 nan 0.000 0.445 32 D N 2.929 123.237 120.400 -0.154 0.000 2.317 32 D HA 0.189 4.829 4.640 -0.000 0.000 0.234 32 D C -0.127 176.028 176.300 -0.243 0.000 1.112 32 D CA -0.098 53.807 54.000 -0.158 0.000 0.840 32 D CB 1.027 41.669 40.800 -0.262 0.000 1.078 32 D HN 0.677 nan 8.370 nan 0.000 0.486 33 N N 1.042 119.659 118.700 -0.139 0.000 2.373 33 N HA -0.065 4.675 4.740 -0.000 0.000 0.181 33 N C 1.461 176.908 175.510 -0.106 0.000 1.082 33 N CA 0.529 53.514 53.050 -0.109 0.000 0.885 33 N CB 0.430 38.894 38.487 -0.039 0.000 0.977 33 N HN 0.494 nan 8.380 nan 0.000 0.462 34 T N -1.577 112.902 114.554 -0.125 0.000 3.085 34 T HA 0.083 4.433 4.350 -0.000 0.000 0.263 34 T C 0.752 175.341 174.700 -0.185 0.000 1.127 34 T CA 0.409 62.438 62.100 -0.118 0.000 1.103 34 T CB 0.086 68.898 68.868 -0.092 0.000 0.921 34 T HN 0.001 nan 8.240 nan 0.000 0.510 35 R N 0.895 121.207 120.500 -0.313 0.000 2.388 35 R HA 0.535 4.875 4.340 -0.000 0.000 0.314 35 R C 1.163 177.153 176.300 -0.517 0.000 0.959 35 R CA -0.075 55.667 56.100 -0.596 0.000 0.851 35 R CB 1.310 31.050 30.300 -0.932 0.000 1.168 35 R HN 0.377 nan 8.270 nan 0.000 0.472 36 G N 2.825 111.472 108.800 -0.256 0.000 2.634 36 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.309 36 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.309 36 G C 0.202 175.080 174.900 -0.037 0.000 1.265 36 G CA 0.519 45.594 45.100 -0.041 0.000 0.998 36 G HN 0.628 nan 8.290 nan 0.000 0.551 37 D N 2.923 123.329 120.400 0.009 0.000 2.319 37 D HA 0.450 5.090 4.640 -0.000 0.000 0.230 37 D C 1.211 177.588 176.300 0.128 0.000 1.094 37 D CA 1.824 55.865 54.000 0.068 0.000 0.856 37 D CB -0.129 40.726 40.800 0.092 0.000 0.915 37 D HN 1.649 nan 8.370 nan 0.000 0.517 38 G N 0.444 109.230 108.800 -0.024 0.000 2.539 38 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.686 38 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.686 38 G C -0.938 173.816 174.900 -0.244 0.000 1.258 38 G CA -0.995 43.972 45.100 -0.222 0.000 0.846 38 G HN 0.109 nan 8.290 nan 0.000 0.647 39 I N 0.554 120.829 120.570 -0.492 0.000 2.389 39 I HA 0.558 4.728 4.170 -0.000 0.000 0.288 39 I C -0.626 175.251 176.117 -0.400 0.000 0.999 39 I CA -0.624 60.511 61.300 -0.275 0.000 1.129 39 I CB 1.398 39.231 38.000 -0.279 0.000 1.288 39 I HN 0.324 nan 8.210 nan 0.000 0.444 40 F N 3.357 123.419 119.950 0.186 0.000 2.493 40 F HA 0.492 5.019 4.527 -0.000 0.000 0.329 40 F C 0.266 176.181 175.800 0.191 0.000 1.126 40 F CA -0.679 57.404 58.000 0.139 0.000 0.937 40 F CB 2.106 41.184 39.000 0.130 0.000 1.146 40 F HN 0.228 nan 8.300 nan 0.000 0.442 41 T N 2.886 117.547 114.554 0.177 0.000 2.792 41 T HA 0.500 4.850 4.350 -0.000 0.000 0.280 41 T C -1.042 173.739 174.700 0.136 0.000 0.990 41 T CA -0.646 61.578 62.100 0.208 0.000 0.960 41 T CB 0.563 69.471 68.868 0.066 0.000 0.939 41 T HN 0.306 nan 8.240 nan 0.000 0.439 42 Y N 0.869 121.341 120.300 0.286 0.000 2.528 42 Y HA 0.500 5.050 4.550 -0.000 0.000 0.335 42 Y C 0.321 176.455 175.900 0.391 0.000 1.093 42 Y CA -1.249 57.038 58.100 0.310 0.000 1.134 42 Y CB 1.222 39.800 38.460 0.197 0.000 1.253 42 Y HN 0.451 nan 8.280 nan 0.000 0.478 43 D N 0.895 121.599 120.400 0.506 0.000 2.373 43 D HA 0.379 5.019 4.640 -0.000 0.000 0.227 43 D C 0.149 176.600 176.300 0.252 0.000 1.091 43 D CA -0.180 54.048 54.000 0.379 0.000 0.840 43 D CB 1.595 42.406 40.800 0.019 0.000 1.060 43 D HN 0.667 nan 8.370 nan 0.000 0.502 44 A N 4.156 127.128 122.820 0.253 0.000 2.238 44 A HA 0.031 4.351 4.320 -0.000 0.000 0.208 44 A C 0.853 178.491 177.584 0.090 0.000 1.177 44 A CA 0.037 52.179 52.037 0.176 0.000 0.804 44 A CB -0.443 18.698 19.000 0.234 0.000 0.823 44 A HN 0.737 nan 8.150 nan 0.000 0.482 45 K N -1.699 118.724 120.400 0.038 0.000 3.071 45 K HA -0.298 4.022 4.320 -0.000 0.000 0.262 45 K C -0.532 175.973 176.600 -0.159 0.000 0.977 45 K CA 0.941 57.148 56.287 -0.133 0.000 0.721 45 K CB -2.659 29.795 32.500 -0.076 0.000 1.293 45 K HN 0.751 nan 8.250 nan 0.000 0.475 46 Y N -3.215 117.170 120.300 0.142 0.000 4.490 46 Y HA -0.334 4.216 4.550 -0.000 0.000 0.233 46 Y C 0.865 176.746 175.900 -0.032 0.000 1.101 46 Y CA 0.460 58.601 58.100 0.069 0.000 2.010 46 Y CB -1.120 37.378 38.460 0.064 0.000 1.622 46 Y HN 0.312 nan 8.280 nan 0.000 0.675 47 R N -0.002 120.523 120.500 0.041 0.000 2.893 47 R HA 0.568 4.908 4.340 -0.000 0.000 0.245 47 R C 1.187 177.354 176.300 -0.222 0.000 1.192 47 R CA 0.102 56.171 56.100 -0.051 0.000 1.077 47 R CB 0.619 30.914 30.300 -0.008 0.000 1.253 47 R HN 0.139 nan 8.270 nan 0.000 0.505 48 T N -3.782 110.634 114.554 -0.229 0.000 3.044 48 T HA 0.130 4.480 4.350 -0.000 0.000 0.260 48 T C 0.513 175.235 174.700 0.037 0.000 1.019 48 T CA -0.114 61.827 62.100 -0.265 0.000 0.921 48 T CB 0.214 68.930 68.868 -0.254 0.000 1.053 48 T HN 0.236 nan 8.240 nan 0.000 0.533 49 T N 3.218 117.780 114.554 0.014 0.000 2.729 49 T HA 0.555 4.905 4.350 -0.000 0.000 0.296 49 T C -0.314 174.409 174.700 0.038 0.000 0.928 49 T CA -0.333 61.782 62.100 0.025 0.000 1.045 49 T CB 0.053 68.924 68.868 0.004 0.000 0.902 49 T HN 0.304 nan 8.240 nan 0.000 0.500 50 L N 6.412 127.645 121.223 0.016 0.000 2.334 50 L HA 0.436 4.776 4.340 -0.000 0.000 0.275 50 L C -0.756 176.046 176.870 -0.114 0.000 1.036 50 L CA -1.913 52.901 54.840 -0.043 0.000 0.807 50 L CB 1.500 43.520 42.059 -0.066 0.000 1.231 50 L HN 0.464 nan 8.230 nan 0.000 0.438 51 P HA 0.133 nan 4.420 nan 0.000 0.240 51 P C 0.624 177.843 177.300 -0.134 0.000 1.190 51 P CA 0.732 63.626 63.100 -0.344 0.000 0.781 51 P CB 0.717 31.832 31.700 -0.975 0.000 0.931 52 G N -0.144 108.642 108.800 -0.024 0.000 2.475 52 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.223 52 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.223 52 G C -0.734 174.290 174.900 0.207 0.000 1.201 52 G CA -0.260 44.899 45.100 0.098 0.000 0.962 52 G HN 0.281 nan 8.290 nan 0.000 0.586 53 S N 0.181 116.034 115.700 0.255 0.000 2.509 53 S HA 0.645 5.115 4.470 -0.000 0.000 0.297 53 S C 0.337 175.114 174.600 0.295 0.000 1.118 53 S CA -0.564 57.776 58.200 0.232 0.000 1.074 53 S CB 1.498 64.735 63.200 0.062 0.000 1.038 53 S HN 0.741 nan 8.310 nan 0.000 0.498 54 L N 3.866 125.171 121.223 0.136 0.000 2.499 54 L HA 0.089 4.429 4.340 -0.000 0.000 0.273 54 L C -0.120 176.833 176.870 0.137 0.000 1.195 54 L CA -0.156 54.579 54.840 -0.176 0.000 0.882 54 L CB 0.221 42.151 42.059 -0.214 0.000 1.133 54 L HN 0.742 nan 8.230 nan 0.000 0.483 55 W N 6.290 127.589 121.300 -0.002 0.000 2.489 55 W HA 0.253 4.913 4.660 0.001 0.000 0.327 55 W C -0.511 176.099 176.519 0.152 0.000 1.436 55 W CA -0.577 56.819 57.345 0.085 0.000 1.315 55 W CB 0.422 29.899 29.460 0.028 0.000 1.373 55 W HN 0.576 nan 8.180 nan 0.000 0.557 56 A N 5.318 128.143 122.820 0.008 0.000 2.331 56 A HA 0.474 4.794 4.320 -0.000 0.000 0.320 56 A C -1.440 176.091 177.584 -0.088 0.000 1.138 56 A CA -0.567 51.338 52.037 -0.220 0.000 0.790 56 A CB 1.453 20.070 19.000 -0.638 0.000 1.206 56 A HN 0.592 nan 8.150 nan 0.000 0.470 57 D N 1.217 121.686 120.400 0.114 0.000 2.879 57 D HA 0.602 5.242 4.640 -0.000 0.000 0.236 57 D C 0.741 177.216 176.300 0.291 0.000 1.171 57 D CA 0.178 54.273 54.000 0.158 0.000 0.868 57 D CB 1.976 42.787 40.800 0.017 0.000 1.598 57 D HN 0.466 nan 8.370 nan 0.000 0.497 58 A N 2.753 125.720 122.820 0.244 0.000 1.929 58 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 58 A C 1.218 178.929 177.584 0.211 0.000 1.176 58 A CA 1.611 53.789 52.037 0.236 0.000 0.628 58 A CB -0.125 18.962 19.000 0.145 0.000 0.816 58 A HN 0.694 nan 8.150 nan 0.000 0.444 59 D N -3.751 116.657 120.400 0.013 0.000 2.503 59 D HA 0.087 4.727 4.640 -0.000 0.000 0.218 59 D C 0.324 176.332 176.300 -0.486 0.000 1.183 59 D CA 0.114 54.029 54.000 -0.140 0.000 0.827 59 D CB -0.641 40.096 40.800 -0.104 0.000 1.034 59 D HN 0.144 nan 8.370 nan 0.000 0.510 60 N N 0.154 118.476 118.700 -0.629 0.000 2.800 60 N HA -0.192 4.548 4.740 -0.000 0.000 0.250 60 N C -1.137 174.102 175.510 -0.450 0.000 1.078 60 N CA 0.833 53.498 53.050 -0.641 0.000 0.804 60 N CB -0.980 36.875 38.487 -1.052 0.000 1.135 60 N HN 0.523 nan 8.380 nan 0.000 0.565 61 Q N -0.381 119.069 119.800 -0.583 0.000 2.325 61 Q HA 0.364 4.704 4.340 -0.000 0.000 0.270 61 Q C -0.668 174.995 176.000 -0.561 0.000 1.020 61 Q CA -0.409 55.204 55.803 -0.316 0.000 0.785 61 Q CB 0.741 29.488 28.738 0.016 0.000 1.259 61 Q HN 0.259 nan 8.270 nan 0.000 0.452 62 F N 1.948 121.689 119.950 -0.348 0.000 2.550 62 F HA 0.311 4.838 4.527 -0.000 0.000 0.312 62 F C 0.146 175.696 175.800 -0.416 0.000 1.256 62 F CA -0.331 57.491 58.000 -0.297 0.000 1.182 62 F CB 0.143 38.961 39.000 -0.304 0.000 1.383 62 F HN 0.535 nan 8.300 nan 0.000 0.541 63 F N 0.494 120.499 119.950 0.092 0.000 2.695 63 F HA 0.410 4.937 4.527 -0.000 0.000 0.303 63 F C 1.433 177.287 175.800 0.090 0.000 1.091 63 F CA -0.449 57.594 58.000 0.072 0.000 1.300 63 F CB -0.106 38.913 39.000 0.030 0.000 1.071 63 F HN 0.182 nan 8.300 nan 0.000 0.578 64 A N 0.249 123.218 122.820 0.248 0.000 2.304 64 A HA 0.363 4.683 4.320 -0.000 0.000 0.271 64 A C 1.543 179.273 177.584 0.243 0.000 1.091 64 A CA 0.285 52.464 52.037 0.237 0.000 0.812 64 A CB 0.275 19.423 19.000 0.245 0.000 1.056 64 A HN 0.300 nan 8.150 nan 0.000 0.489 65 S N 0.107 115.948 115.700 0.234 0.000 2.402 65 S HA -0.218 4.252 4.470 -0.000 0.000 0.229 65 S C 1.663 176.449 174.600 0.310 0.000 1.021 65 S CA 1.637 59.974 58.200 0.229 0.000 0.974 65 S CB -0.761 62.553 63.200 0.189 0.000 0.800 65 S HN 0.782 nan 8.310 nan 0.000 0.484 66 Y N 2.664 123.123 120.300 0.264 0.000 2.274 66 Y HA -0.130 4.420 4.550 0.000 0.000 0.290 66 Y C 1.532 177.788 175.900 0.593 0.000 1.145 66 Y CA 1.768 60.102 58.100 0.390 0.000 1.203 66 Y CB -0.238 38.381 38.460 0.266 0.000 0.984 66 Y HN 0.241 nan 8.280 nan 0.000 0.533 67 D N -0.041 120.644 120.400 0.475 0.000 2.183 67 D HA -0.129 4.511 4.640 -0.000 0.000 0.203 67 D C 2.295 178.523 176.300 -0.120 0.000 0.969 67 D CA 1.058 55.196 54.000 0.231 0.000 0.842 67 D CB -0.626 40.348 40.800 0.290 0.000 0.957 67 D HN 0.456 nan 8.370 nan 0.000 0.484 68 A N 1.959 124.760 122.820 -0.031 0.000 1.894 68 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 68 A C -0.169 177.280 177.584 -0.224 0.000 1.237 68 A CA 2.140 54.115 52.037 -0.103 0.000 0.660 68 A CB -1.764 17.230 19.000 -0.010 0.000 0.835 68 A HN 0.226 nan 8.150 nan 0.000 0.461 69 P HA -0.032 nan 4.420 nan 0.000 0.218 69 P C 1.648 178.688 177.300 -0.433 0.000 1.149 69 P CA 1.768 64.666 63.100 -0.337 0.000 0.817 69 P CB -0.182 31.277 31.700 -0.402 0.000 0.785 70 A N -0.354 122.105 122.820 -0.602 0.000 1.877 70 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 70 A C 2.352 179.582 177.584 -0.589 0.000 1.186 70 A CA 1.813 53.401 52.037 -0.748 0.000 0.620 70 A CB -1.739 16.271 19.000 -1.649 0.000 0.822 70 A HN 0.020 nan 8.150 nan 0.000 0.443 71 V N 0.618 120.192 119.914 -0.566 0.000 2.287 71 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 71 V C 2.275 178.158 176.094 -0.353 0.000 1.053 71 V CA 2.467 64.486 62.300 -0.470 0.000 1.027 71 V CB -0.800 30.773 31.823 -0.417 0.000 0.646 71 V HN 0.504 nan 8.190 nan 0.000 0.447 72 D N 0.017 120.195 120.400 -0.371 0.000 2.097 72 D HA -0.084 4.556 4.640 -0.000 0.000 0.197 72 D C 2.243 178.373 176.300 -0.284 0.000 0.984 72 D CA 1.643 55.397 54.000 -0.411 0.000 0.826 72 D CB -0.407 40.230 40.800 -0.272 0.000 0.973 72 D HN 0.407 nan 8.370 nan 0.000 0.460 73 A N 0.363 123.020 122.820 -0.273 0.000 1.883 73 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 73 A C 2.072 179.626 177.584 -0.050 0.000 1.186 73 A CA 2.059 53.956 52.037 -0.234 0.000 0.624 73 A CB -0.987 17.835 19.000 -0.297 0.000 0.822 73 A HN 0.286 nan 8.150 nan 0.000 0.444 74 H N -2.142 116.819 119.070 -0.182 0.000 2.267 74 H HA -0.218 4.338 4.556 0.000 0.000 0.297 74 H C 1.894 177.153 175.328 -0.116 0.000 1.080 74 H CA 2.454 58.409 56.048 -0.155 0.000 1.278 74 H CB -0.557 29.044 29.762 -0.268 0.000 1.365 74 H HN 0.568 nan 8.280 nan 0.000 0.489 75 Y N -0.178 119.959 120.300 -0.271 0.000 2.145 75 Y HA -0.296 4.254 4.550 -0.000 0.000 0.286 75 Y C 2.088 177.888 175.900 -0.167 0.000 1.145 75 Y CA 2.026 59.942 58.100 -0.307 0.000 1.148 75 Y CB -0.645 37.548 38.460 -0.445 0.000 0.981 75 Y HN 0.341 nan 8.280 nan 0.000 0.507 76 Y N -0.921 119.415 120.300 0.060 0.000 2.352 76 Y HA -0.160 4.390 4.550 -0.000 0.000 0.292 76 Y C 2.554 178.446 175.900 -0.014 0.000 1.136 76 Y CA 0.171 58.284 58.100 0.023 0.000 1.227 76 Y CB -0.378 38.116 38.460 0.056 0.000 0.991 76 Y HN 0.247 nan 8.280 nan 0.000 0.545 77 A N 0.484 123.373 122.820 0.116 0.000 1.930 77 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 77 A C 2.480 180.093 177.584 0.049 0.000 1.175 77 A CA 1.587 53.690 52.037 0.109 0.000 0.627 77 A CB -1.388 17.670 19.000 0.096 0.000 0.815 77 A HN 0.466 nan 8.150 nan 0.000 0.443 78 G N -0.322 108.408 108.800 -0.117 0.000 2.459 78 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 78 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 78 G C 1.701 176.582 174.900 -0.032 0.000 1.183 78 G CA 1.690 46.691 45.100 -0.166 0.000 0.776 78 G HN 0.921 nan 8.290 nan 0.000 0.552 79 V N 0.869 120.739 119.914 -0.073 0.000 2.332 79 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 79 V C 2.732 178.921 176.094 0.158 0.000 1.055 79 V CA 3.263 65.604 62.300 0.069 0.000 1.038 79 V CB -1.032 30.852 31.823 0.101 0.000 0.651 79 V HN 0.380 nan 8.190 nan 0.000 0.450 80 T N -0.452 114.196 114.554 0.157 0.000 2.746 80 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 80 T C 1.615 176.470 174.700 0.258 0.000 1.039 80 T CA 2.264 64.475 62.100 0.184 0.000 1.142 80 T CB -0.530 68.466 68.868 0.214 0.000 0.866 80 T HN 0.787 nan 8.240 nan 0.000 0.444 81 Y N 2.149 122.526 120.300 0.128 0.000 2.181 81 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 81 Y C 2.008 177.937 175.900 0.048 0.000 1.146 81 Y CA 1.465 59.630 58.100 0.108 0.000 1.164 81 Y CB -0.257 38.225 38.460 0.037 0.000 0.982 81 Y HN 0.102 nan 8.280 nan 0.000 0.515 82 D N -0.619 119.918 120.400 0.228 0.000 2.117 82 D HA -0.243 4.397 4.640 -0.000 0.000 0.197 82 D C 1.885 178.095 176.300 -0.150 0.000 0.987 82 D CA 1.770 55.839 54.000 0.115 0.000 0.829 82 D CB -0.905 40.015 40.800 0.200 0.000 0.961 82 D HN 0.552 nan 8.370 nan 0.000 0.460 83 Y N 0.299 120.327 120.300 -0.453 0.000 2.097 83 Y HA -0.347 4.203 4.550 -0.000 0.000 0.282 83 Y C 2.167 177.685 175.900 -0.637 0.000 1.152 83 Y CA 1.710 59.241 58.100 -0.949 0.000 1.136 83 Y CB -0.649 37.235 38.460 -0.960 0.000 0.975 83 Y HN 0.000 nan 8.280 nan 0.000 0.498 84 Y N 0.618 120.692 120.300 -0.378 0.000 2.165 84 Y HA -0.259 4.291 4.550 -0.000 0.000 0.286 84 Y C 2.768 178.380 175.900 -0.480 0.000 1.155 84 Y CA 2.042 59.891 58.100 -0.418 0.000 1.164 84 Y CB -0.353 37.944 38.460 -0.272 0.000 0.978 84 Y HN 0.088 nan 8.280 nan 0.000 0.513 85 K N 0.240 120.426 120.400 -0.356 0.000 2.001 85 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 85 K C 1.610 178.045 176.600 -0.275 0.000 1.048 85 K CA 1.538 57.627 56.287 -0.330 0.000 0.932 85 K CB -0.143 32.139 32.500 -0.363 0.000 0.715 85 K HN 0.313 nan 8.250 nan 0.000 0.437 86 N N 0.396 118.920 118.700 -0.292 0.000 2.171 86 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 86 N C 1.880 177.189 175.510 -0.335 0.000 1.021 86 N CA 1.164 54.073 53.050 -0.235 0.000 0.854 86 N CB -0.144 38.286 38.487 -0.094 0.000 0.994 86 N HN 0.030 nan 8.380 nan 0.000 0.426 87 V N 0.411 119.959 119.914 -0.610 0.000 2.599 87 V HA -0.030 4.090 4.120 -0.000 0.000 0.245 87 V C 1.167 176.727 176.094 -0.889 0.000 1.046 87 V CA 1.104 62.921 62.300 -0.806 0.000 1.065 87 V CB -0.268 30.810 31.823 -1.242 0.000 0.703 87 V HN 0.370 nan 8.190 nan 0.000 0.464 88 H N -0.905 117.813 119.070 -0.586 0.000 2.784 88 H HA 0.309 4.865 4.556 -0.000 0.000 0.273 88 H C 0.488 175.585 175.328 -0.384 0.000 1.112 88 H CA -0.121 55.572 56.048 -0.591 0.000 1.162 88 H CB 0.338 29.391 29.762 -1.182 0.000 1.586 88 H HN 0.340 nan 8.280 nan 0.000 0.548 89 N N 1.310 119.878 118.700 -0.219 0.000 2.747 89 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 89 N C 0.088 175.532 175.510 -0.111 0.000 1.107 89 N CA 0.440 53.406 53.050 -0.140 0.000 0.707 89 N CB -0.551 37.882 38.487 -0.090 0.000 1.054 89 N HN 0.462 nan 8.380 nan 0.000 0.555 90 R N 0.925 121.342 120.500 -0.139 0.000 2.445 90 R HA 0.438 4.778 4.340 -0.000 0.000 0.308 90 R C -0.173 175.995 176.300 -0.220 0.000 0.961 90 R CA -0.536 55.495 56.100 -0.117 0.000 0.862 90 R CB 0.734 30.998 30.300 -0.061 0.000 1.144 90 R HN 0.084 nan 8.270 nan 0.000 0.447 91 L N 4.347 125.448 121.223 -0.204 0.000 2.282 91 L HA 0.250 4.589 4.340 -0.000 0.000 0.287 91 L C 0.489 177.214 176.870 -0.242 0.000 1.075 91 L CA -0.074 54.625 54.840 -0.234 0.000 0.839 91 L CB 0.843 42.843 42.059 -0.098 0.000 1.219 91 L HN 0.964 nan 8.230 nan 0.000 0.434 92 S N 1.859 117.364 115.700 -0.325 0.000 3.654 92 S HA -0.289 4.181 4.470 -0.000 0.000 0.640 92 S C 0.873 175.272 174.600 -0.334 0.000 2.223 92 S CA 1.041 59.129 58.200 -0.187 0.000 2.391 92 S CB -0.384 62.715 63.200 -0.169 0.000 0.328 92 S HN 0.740 nan 8.310 nan 0.000 1.790 93 Y N 0.910 121.064 120.300 -0.244 0.000 2.352 93 Y HA 0.137 4.687 4.550 -0.000 0.000 0.292 93 Y C 1.911 177.523 175.900 -0.479 0.000 1.136 93 Y CA 1.402 59.265 58.100 -0.395 0.000 1.227 93 Y CB -0.548 37.672 38.460 -0.400 0.000 0.991 93 Y HN 0.643 nan 8.280 nan 0.000 0.545 94 D N -0.482 119.418 120.400 -0.833 0.000 2.360 94 D HA 0.125 4.765 4.640 -0.000 0.000 0.210 94 D C 1.827 177.903 176.300 -0.373 0.000 1.047 94 D CA 0.677 54.219 54.000 -0.764 0.000 0.854 94 D CB -0.055 40.115 40.800 -1.051 0.000 0.936 94 D HN 0.510 nan 8.370 nan 0.000 0.514 95 G N 0.754 109.365 108.800 -0.316 0.000 2.157 95 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 95 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 95 G C 0.605 175.414 174.900 -0.152 0.000 0.979 95 G CA 0.209 45.197 45.100 -0.187 0.000 0.650 95 G HN 0.426 nan 8.290 nan 0.000 0.529 96 N N 0.514 119.097 118.700 -0.196 0.000 2.299 96 N HA 0.136 4.876 4.740 -0.000 0.000 0.246 96 N C 0.759 176.196 175.510 -0.122 0.000 1.254 96 N CA 0.328 53.297 53.050 -0.135 0.000 0.879 96 N CB -0.131 38.291 38.487 -0.109 0.000 1.214 96 N HN 0.543 nan 8.380 nan 0.000 0.510 97 N N -0.114 118.512 118.700 -0.122 0.000 2.776 97 N HA -0.191 4.549 4.740 -0.000 0.000 0.250 97 N C -0.165 175.301 175.510 -0.074 0.000 1.112 97 N CA 0.425 53.456 53.050 -0.030 0.000 0.733 97 N CB -0.693 37.812 38.487 0.030 0.000 1.097 97 N HN 0.297 nan 8.380 nan 0.000 0.558 98 A N 0.379 123.057 122.820 -0.236 0.000 2.520 98 A HA 0.519 4.839 4.320 -0.000 0.000 0.235 98 A C 0.994 178.544 177.584 -0.057 0.000 1.065 98 A CA 0.497 52.405 52.037 -0.215 0.000 0.764 98 A CB 0.292 19.006 19.000 -0.478 0.000 1.002 98 A HN 0.503 nan 8.150 nan 0.000 0.502 99 A N 1.936 124.828 122.820 0.120 0.000 2.511 99 A HA 0.470 4.790 4.320 -0.000 0.000 0.242 99 A C 0.122 177.963 177.584 0.428 0.000 1.069 99 A CA 0.013 52.233 52.037 0.304 0.000 0.763 99 A CB -0.249 18.972 19.000 0.368 0.000 1.001 99 A HN 0.712 nan 8.150 nan 0.000 0.498 100 I N 2.259 123.097 120.570 0.447 0.000 2.321 100 I HA 0.402 4.572 4.170 -0.000 0.000 0.291 100 I C 0.488 176.891 176.117 0.477 0.000 0.998 100 I CA -0.130 61.461 61.300 0.484 0.000 1.227 100 I CB 1.238 39.460 38.000 0.370 0.000 1.368 100 I HN 0.686 nan 8.210 nan 0.000 0.466 101 R N 3.475 124.234 120.500 0.432 0.000 2.670 101 R HA 0.672 5.012 4.340 -0.000 0.000 0.289 101 R C -1.273 175.211 176.300 0.306 0.000 0.965 101 R CA -0.363 55.989 56.100 0.419 0.000 0.899 101 R CB 2.216 32.671 30.300 0.258 0.000 1.173 101 R HN 0.596 nan 8.270 nan 0.000 0.456 102 S N 0.452 116.367 115.700 0.357 0.000 2.548 102 S HA 0.542 5.012 4.470 -0.000 0.000 0.276 102 S C -1.341 173.451 174.600 0.321 0.000 1.129 102 S CA -0.802 57.579 58.200 0.301 0.000 0.931 102 S CB 2.125 65.566 63.200 0.402 0.000 1.068 102 S HN 0.487 nan 8.310 nan 0.000 0.480 103 S N 1.710 117.522 115.700 0.186 0.000 2.500 103 S HA 0.746 5.216 4.470 -0.000 0.000 0.301 103 S C -0.128 174.607 174.600 0.225 0.000 1.092 103 S CA -0.776 57.551 58.200 0.213 0.000 1.030 103 S CB 1.511 64.767 63.200 0.093 0.000 1.031 103 S HN 0.719 nan 8.310 nan 0.000 0.483 104 V N 0.150 120.206 119.914 0.238 0.000 3.096 104 V HA 0.670 4.790 4.120 -0.000 0.000 0.319 104 V C -0.070 176.130 176.094 0.177 0.000 1.103 104 V CA -0.730 61.647 62.300 0.129 0.000 1.016 104 V CB 0.796 32.544 31.823 -0.125 0.000 1.090 104 V HN 1.012 nan 8.190 nan 0.000 0.449 105 H N -1.083 118.101 119.070 0.190 0.000 2.826 105 H HA -0.211 4.345 4.556 0.000 0.000 0.306 105 H C -0.612 174.856 175.328 0.234 0.000 1.235 105 H CA 1.198 57.344 56.048 0.163 0.000 1.150 105 H CB -1.706 27.995 29.762 -0.100 0.000 1.409 105 H HN 0.960 nan 8.280 nan 0.000 0.420 106 Y N 1.063 121.499 120.300 0.226 0.000 2.359 106 Y HA 0.343 4.893 4.550 0.001 0.000 0.334 106 Y C 1.110 177.116 175.900 0.178 0.000 1.058 106 Y CA 1.090 59.273 58.100 0.139 0.000 1.244 106 Y CB 0.796 39.269 38.460 0.020 0.000 1.187 106 Y HN 0.540 nan 8.280 nan 0.000 0.510 107 S N 3.579 119.043 115.700 -0.394 0.000 3.307 107 S HA -0.286 4.184 4.470 -0.000 0.000 0.634 107 S C -0.876 173.803 174.600 0.131 0.000 2.711 107 S CA 0.881 58.934 58.200 -0.245 0.000 2.940 107 S CB -0.631 62.280 63.200 -0.482 0.000 0.331 107 S HN 0.889 nan 8.310 nan 0.000 1.766 108 Q N 0.435 120.296 119.800 0.103 0.000 2.333 108 Q HA 0.503 4.843 4.340 -0.000 0.000 0.268 108 Q C 0.617 176.708 176.000 0.151 0.000 1.007 108 Q CA 0.043 55.902 55.803 0.093 0.000 0.810 108 Q CB 1.449 30.184 28.738 -0.003 0.000 1.264 108 Q HN 1.637 nan 8.270 nan 0.000 0.452 109 G N 2.340 111.241 108.800 0.167 0.000 2.356 109 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.296 109 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.296 109 G C -0.612 174.428 174.900 0.233 0.000 1.022 109 G CA 0.315 45.519 45.100 0.174 0.000 0.961 109 G HN 0.622 nan 8.290 nan 0.000 0.510 110 Y N 0.903 121.307 120.300 0.173 0.000 2.436 110 Y HA 0.403 4.953 4.550 -0.000 0.000 0.343 110 Y C 0.657 176.662 175.900 0.174 0.000 1.008 110 Y CA -1.234 56.986 58.100 0.199 0.000 1.241 110 Y CB 0.617 39.263 38.460 0.310 0.000 1.153 110 Y HN 0.153 nan 8.280 nan 0.000 0.521 111 N N 6.111 124.622 118.700 -0.314 0.000 3.052 111 N HA 0.081 4.821 4.740 -0.000 0.000 0.302 111 N C -0.890 174.306 175.510 -0.523 0.000 1.332 111 N CA 0.139 53.063 53.050 -0.210 0.000 1.129 111 N CB -0.513 38.032 38.487 0.097 0.000 1.436 111 N HN 0.635 nan 8.380 nan 0.000 0.536 112 N N -0.316 118.017 118.700 -0.611 0.000 3.227 112 N HA 0.530 5.270 4.740 -0.000 0.000 0.241 112 N C -1.868 173.655 175.510 0.022 0.000 1.480 112 N CA -0.373 52.447 53.050 -0.383 0.000 0.886 112 N CB 1.709 39.984 38.487 -0.353 0.000 1.406 112 N HN 0.081 nan 8.380 nan 0.000 0.514 113 A N 0.399 123.278 122.820 0.098 0.000 2.539 113 A HA 0.882 5.202 4.320 -0.000 0.000 0.296 113 A C -1.663 176.037 177.584 0.193 0.000 1.073 113 A CA -0.530 51.512 52.037 0.008 0.000 0.700 113 A CB 0.932 19.897 19.000 -0.059 0.000 1.296 113 A HN 0.642 nan 8.150 nan 0.000 0.405 114 F N -1.954 117.894 119.950 -0.169 0.000 2.744 114 F HA 0.628 5.155 4.527 -0.000 0.000 0.311 114 F C -1.284 174.455 175.800 -0.101 0.000 1.144 114 F CA -1.221 56.733 58.000 -0.076 0.000 0.938 114 F CB 1.034 39.980 39.000 -0.089 0.000 1.292 114 F HN 0.793 nan 8.300 nan 0.000 0.444 115 W N 5.176 126.470 121.300 -0.010 0.000 2.316 115 W HA 0.301 4.961 4.660 0.001 0.000 0.308 115 W C -0.545 175.976 176.519 0.003 0.000 1.106 115 W CA -0.600 56.695 57.345 -0.084 0.000 1.262 115 W CB 1.613 31.055 29.460 -0.029 0.000 1.233 115 W HN 0.829 nan 8.180 nan 0.000 0.447 116 N N 4.247 122.582 118.700 -0.608 0.000 2.295 116 N HA 0.143 4.883 4.740 -0.000 0.000 0.221 116 N C 1.065 176.176 175.510 -0.665 0.000 1.129 116 N CA 0.424 53.228 53.050 -0.411 0.000 0.836 116 N CB 0.268 38.625 38.487 -0.216 0.000 1.040 116 N HN 0.763 nan 8.380 nan 0.000 0.494 117 G N -0.415 107.672 108.800 -1.188 0.000 2.258 117 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.233 117 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.233 117 G C 0.739 175.358 174.900 -0.469 0.000 1.006 117 G CA 0.645 45.505 45.100 -0.400 0.000 0.620 117 G HN 0.972 nan 8.290 nan 0.000 0.511 118 S N -0.468 114.618 115.700 -1.023 0.000 2.661 118 S HA 0.517 4.987 4.470 -0.000 0.000 0.275 118 S C 0.095 174.178 174.600 -0.861 0.000 1.075 118 S CA 0.987 58.774 58.200 -0.687 0.000 1.251 118 S CB 0.679 63.734 63.200 -0.243 0.000 1.167 118 S HN 1.631 nan 8.310 nan 0.000 0.648 119 E N 0.258 119.700 120.200 -1.264 0.000 2.409 119 E HA 0.553 4.903 4.350 -0.000 0.000 0.280 119 E C -1.477 174.787 176.600 -0.560 0.000 1.079 119 E CA -1.104 54.913 56.400 -0.639 0.000 0.840 119 E CB 0.607 30.113 29.700 -0.324 0.000 1.309 119 E HN 0.146 nan 8.360 nan 0.000 0.447 120 M N 1.410 120.903 119.600 -0.178 0.000 2.277 120 M HA 0.470 4.950 4.480 -0.000 0.000 0.350 120 M C -1.012 174.950 176.300 -0.565 0.000 1.180 120 M CA -0.858 54.281 55.300 -0.268 0.000 1.103 120 M CB 1.741 34.337 32.600 -0.008 0.000 1.577 120 M HN 0.387 nan 8.290 nan 0.000 0.459 121 V N 3.245 122.554 119.914 -1.009 0.000 2.588 121 V HA 0.469 4.589 4.120 -0.000 0.000 0.304 121 V C -1.494 173.968 176.094 -1.053 0.000 1.042 121 V CA -0.760 60.894 62.300 -1.076 0.000 0.877 121 V CB 1.788 32.559 31.823 -1.753 0.000 0.996 121 V HN 0.649 nan 8.190 nan 0.000 0.425 122 Y N 1.921 122.076 120.300 -0.242 0.000 2.338 122 Y HA 0.706 5.256 4.550 -0.000 0.000 0.333 122 Y C 0.779 176.751 175.900 0.120 0.000 0.968 122 Y CA -0.520 57.548 58.100 -0.053 0.000 1.123 122 Y CB 2.094 40.531 38.460 -0.037 0.000 1.165 122 Y HN 0.761 nan 8.280 nan 0.000 0.452 123 G N 0.984 110.026 108.800 0.403 0.000 2.562 123 G HA2 0.160 4.120 3.960 -0.000 0.000 0.275 123 G HA3 0.160 4.120 3.960 -0.000 0.000 0.275 123 G C 0.039 175.132 174.900 0.323 0.000 1.196 123 G CA -0.484 44.931 45.100 0.525 0.000 0.908 123 G HN 0.665 nan 8.290 nan 0.000 0.524 124 D N -0.431 120.165 120.400 0.327 0.000 2.360 124 D HA 0.249 4.889 4.640 -0.000 0.000 0.210 124 D C 1.538 177.971 176.300 0.222 0.000 1.047 124 D CA 1.161 55.318 54.000 0.261 0.000 0.854 124 D CB 0.389 41.395 40.800 0.342 0.000 0.936 124 D HN 0.916 nan 8.370 nan 0.000 0.514 125 G N 2.194 111.124 108.800 0.217 0.000 2.781 125 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.683 125 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.683 125 G C 0.003 175.014 174.900 0.185 0.000 1.390 125 G CA -0.034 45.197 45.100 0.219 0.000 0.850 125 G HN 0.174 nan 8.290 nan 0.000 0.557 126 D N -0.785 119.713 120.400 0.164 0.000 2.340 126 D HA 0.419 5.059 4.640 -0.000 0.000 0.217 126 D C 1.813 178.165 176.300 0.086 0.000 1.081 126 D CA 1.025 55.092 54.000 0.112 0.000 0.842 126 D CB -0.019 40.832 40.800 0.085 0.000 0.934 126 D HN 2.181 nan 8.370 nan 0.000 0.511 127 G N -0.077 108.783 108.800 0.100 0.000 2.176 127 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.253 127 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.253 127 G C 0.865 175.779 174.900 0.024 0.000 0.979 127 G CA 0.543 45.684 45.100 0.069 0.000 0.641 127 G HN 0.460 nan 8.290 nan 0.000 0.530 128 Q N -1.802 117.998 119.800 0.001 0.000 2.527 128 Q HA 0.096 4.436 4.340 -0.000 0.000 0.252 128 Q C 2.413 178.319 176.000 -0.156 0.000 0.827 128 Q CA 0.894 56.659 55.803 -0.063 0.000 0.979 128 Q CB 0.374 29.084 28.738 -0.047 0.000 1.248 128 Q HN 0.442 nan 8.270 nan 0.000 0.578 129 T N 0.035 114.509 114.554 -0.133 0.000 2.896 129 T HA 0.134 4.484 4.350 -0.000 0.000 0.263 129 T C 0.048 174.467 174.700 -0.468 0.000 1.050 129 T CA 0.957 62.871 62.100 -0.309 0.000 1.140 129 T CB 0.161 68.959 68.868 -0.118 0.000 0.877 129 T HN 0.007 nan 8.240 nan 0.000 0.457 130 F N -0.357 119.577 119.950 -0.028 0.000 2.668 130 F HA 0.541 5.068 4.527 -0.000 0.000 0.309 130 F C -0.729 175.092 175.800 0.035 0.000 1.117 130 F CA -1.687 56.330 58.000 0.028 0.000 0.951 130 F CB 1.741 40.785 39.000 0.073 0.000 1.323 130 F HN -0.074 nan 8.300 nan 0.000 0.451 131 I N -0.679 120.071 120.570 0.301 0.000 3.100 131 I HA 0.679 4.849 4.170 -0.000 0.000 0.312 131 I C -2.745 173.491 176.117 0.199 0.000 1.063 131 I CA -3.015 58.402 61.300 0.194 0.000 1.031 131 I CB 1.373 39.449 38.000 0.128 0.000 1.243 131 I HN 0.192 nan 8.210 nan 0.000 0.483 132 P HA 0.022 nan 4.420 nan 0.000 0.258 132 P C 0.402 177.748 177.300 0.077 0.000 1.172 132 P CA 0.205 63.366 63.100 0.102 0.000 0.762 132 P CB 0.322 32.050 31.700 0.046 0.000 0.764 133 L N 3.247 124.514 121.223 0.074 0.000 2.187 133 L HA -0.227 4.113 4.340 -0.000 0.000 0.213 133 L C 2.171 179.056 176.870 0.025 0.000 1.100 133 L CA 2.257 57.134 54.840 0.062 0.000 0.765 133 L CB -1.186 40.870 42.059 -0.004 0.000 0.904 133 L HN 0.386 nan 8.230 nan 0.000 0.437 134 S N -1.190 114.410 115.700 -0.167 0.000 2.603 134 S HA 0.009 4.479 4.470 -0.000 0.000 0.229 134 S C 1.930 176.502 174.600 -0.047 0.000 0.972 134 S CA 0.422 58.389 58.200 -0.388 0.000 0.935 134 S CB -0.645 62.079 63.200 -0.794 0.000 0.769 134 S HN 0.398 nan 8.310 nan 0.000 0.536 135 G N 0.999 109.813 108.800 0.024 0.000 2.744 135 G HA2 0.357 4.317 3.960 -0.000 0.000 0.211 135 G HA3 0.357 4.317 3.960 -0.000 0.000 0.211 135 G C 0.521 175.503 174.900 0.137 0.000 1.143 135 G CA 0.115 45.288 45.100 0.122 0.000 0.788 135 G HN 0.671 nan 8.290 nan 0.000 0.534 136 G N -0.078 108.748 108.800 0.042 0.000 2.347 136 G HA2 0.428 4.388 3.960 -0.000 0.000 0.314 136 G HA3 0.428 4.388 3.960 -0.000 0.000 0.314 136 G C 0.662 175.413 174.900 -0.247 0.000 1.126 136 G CA -0.685 44.376 45.100 -0.064 0.000 0.929 136 G HN 0.132 nan 8.290 nan 0.000 0.441 137 I N 1.899 122.145 120.570 -0.541 0.000 2.361 137 I HA -0.143 4.027 4.170 -0.000 0.000 0.251 137 I C 2.259 178.211 176.117 -0.275 0.000 1.133 137 I CA 1.740 62.607 61.300 -0.722 0.000 1.413 137 I CB 0.204 37.672 38.000 -0.886 0.000 1.073 137 I HN 0.596 nan 8.210 nan 0.000 0.424 138 D N 0.211 120.506 120.400 -0.175 0.000 2.219 138 D HA -0.155 4.485 4.640 -0.000 0.000 0.205 138 D C 2.025 178.342 176.300 0.028 0.000 0.970 138 D CA 1.147 55.105 54.000 -0.071 0.000 0.851 138 D CB -0.855 39.903 40.800 -0.070 0.000 0.943 138 D HN 0.299 nan 8.370 nan 0.000 0.488 139 V N 0.603 120.528 119.914 0.018 0.000 2.270 139 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 139 V C 2.822 179.034 176.094 0.196 0.000 1.043 139 V CA 1.294 63.643 62.300 0.081 0.000 1.014 139 V CB -0.425 31.440 31.823 0.070 0.000 0.645 139 V HN 0.134 nan 8.190 nan 0.000 0.447 140 V N 0.415 120.433 119.914 0.172 0.000 2.332 140 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 140 V C 2.637 178.861 176.094 0.217 0.000 1.055 140 V CA 2.172 64.625 62.300 0.254 0.000 1.038 140 V CB -1.058 30.878 31.823 0.189 0.000 0.651 140 V HN 0.565 nan 8.190 nan 0.000 0.450 141 A N -1.092 121.807 122.820 0.132 0.000 2.067 141 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 141 A C 2.045 179.717 177.584 0.146 0.000 1.156 141 A CA 1.625 53.736 52.037 0.124 0.000 0.683 141 A CB -0.771 18.245 19.000 0.026 0.000 0.808 141 A HN 0.775 nan 8.150 nan 0.000 0.455 142 H N -0.457 118.644 119.070 0.051 0.000 2.357 142 H HA -0.067 4.489 4.556 -0.000 0.000 0.301 142 H C 1.863 177.167 175.328 -0.041 0.000 1.082 142 H CA 1.627 57.679 56.048 0.007 0.000 1.342 142 H CB 0.204 29.989 29.762 0.038 0.000 1.389 142 H HN 0.327 nan 8.280 nan 0.000 0.511 143 E N 0.628 121.011 120.200 0.305 0.000 2.072 143 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 143 E C 2.349 179.028 176.600 0.132 0.000 0.982 143 E CA 0.333 56.913 56.400 0.301 0.000 0.803 143 E CB -0.280 29.583 29.700 0.272 0.000 0.755 143 E HN 0.450 nan 8.360 nan 0.000 0.453 144 L N 1.200 122.476 121.223 0.090 0.000 2.109 144 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 144 L C 1.869 178.628 176.870 -0.185 0.000 1.086 144 L CA 1.478 56.293 54.840 -0.041 0.000 0.760 144 L CB -0.878 41.254 42.059 0.121 0.000 0.910 144 L HN 0.141 nan 8.230 nan 0.000 0.437 145 T N -1.394 113.110 114.554 -0.083 0.000 2.849 145 T HA -0.209 4.141 4.350 -0.000 0.000 0.270 145 T C 1.698 176.246 174.700 -0.252 0.000 1.066 145 T CA 1.019 63.037 62.100 -0.137 0.000 1.130 145 T CB -0.316 68.550 68.868 -0.002 0.000 0.864 145 T HN 0.375 nan 8.240 nan 0.000 0.481 146 H N 0.822 119.742 119.070 -0.249 0.000 2.421 146 H HA 0.148 4.704 4.556 0.000 0.000 0.298 146 H C 2.529 177.479 175.328 -0.631 0.000 1.087 146 H CA 1.184 57.048 56.048 -0.307 0.000 1.330 146 H CB -0.507 29.152 29.762 -0.171 0.000 1.388 146 H HN 0.425 nan 8.280 nan 0.000 0.526 147 A N 0.399 122.639 122.820 -0.966 0.000 1.898 147 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 147 A C 2.828 180.175 177.584 -0.394 0.000 1.181 147 A CA 1.407 52.650 52.037 -1.323 0.000 0.620 147 A CB -0.787 16.940 19.000 -2.121 0.000 0.819 147 A HN 0.202 nan 8.150 nan 0.000 0.442 148 V N -0.203 119.515 119.914 -0.326 0.000 2.255 148 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 148 V C 2.738 178.769 176.094 -0.106 0.000 1.051 148 V CA 2.618 64.784 62.300 -0.224 0.000 1.018 148 V CB -1.460 30.101 31.823 -0.437 0.000 0.641 148 V HN 0.587 nan 8.190 nan 0.000 0.445 149 T N -0.510 113.981 114.554 -0.106 0.000 2.699 149 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 149 T C 1.646 176.343 174.700 -0.005 0.000 1.036 149 T CA 1.841 63.923 62.100 -0.030 0.000 1.147 149 T CB -0.454 68.431 68.868 0.029 0.000 0.862 149 T HN 0.480 nan 8.240 nan 0.000 0.446 150 D N -0.025 120.363 120.400 -0.020 0.000 2.123 150 D HA -0.057 4.583 4.640 -0.000 0.000 0.196 150 D C 1.550 177.773 176.300 -0.128 0.000 0.992 150 D CA 1.139 55.109 54.000 -0.050 0.000 0.833 150 D CB -0.244 40.528 40.800 -0.047 0.000 0.954 150 D HN 0.501 nan 8.370 nan 0.000 0.455 151 Y N -0.112 120.171 120.300 -0.027 0.000 2.517 151 Y HA 0.033 4.583 4.550 -0.000 0.000 0.281 151 Y C 2.164 178.034 175.900 -0.049 0.000 1.125 151 Y CA 0.889 58.983 58.100 -0.010 0.000 1.283 151 Y CB 0.038 38.508 38.460 0.016 0.000 1.042 151 Y HN 0.042 nan 8.280 nan 0.000 0.547 152 T N -3.864 110.717 114.554 0.045 0.000 2.947 152 T HA 0.315 4.665 4.350 -0.000 0.000 0.180 152 T C 2.218 176.894 174.700 -0.039 0.000 0.750 152 T CA 0.391 62.472 62.100 -0.031 0.000 1.687 152 T CB -0.842 67.960 68.868 -0.111 0.000 2.488 152 T HN -0.037 nan 8.240 nan 0.000 0.417 153 A N 1.155 123.950 122.820 -0.043 0.000 1.917 153 A HA 0.320 4.640 4.320 -0.000 0.000 0.219 153 A C 2.215 179.799 177.584 0.001 0.000 1.182 153 A CA 2.093 54.120 52.037 -0.017 0.000 0.633 153 A CB -1.818 17.186 19.000 0.006 0.000 0.819 153 A HN 2.106 nan 8.150 nan 0.000 0.448 154 G N -1.466 107.337 108.800 0.005 0.000 2.198 154 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.257 154 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.257 154 G C 0.001 174.928 174.900 0.045 0.000 1.042 154 G CA 0.191 45.296 45.100 0.009 0.000 0.791 154 G HN 0.585 nan 8.290 nan 0.000 0.502 155 L N -0.143 121.124 121.223 0.074 0.000 2.601 155 L HA 0.113 4.453 4.340 -0.000 0.000 0.277 155 L C 1.560 178.507 176.870 0.128 0.000 1.219 155 L CA -0.007 54.895 54.840 0.104 0.000 0.915 155 L CB 0.254 42.394 42.059 0.135 0.000 1.160 155 L HN 0.223 nan 8.230 nan 0.000 0.494 156 I N 3.370 124.005 120.570 0.108 0.000 2.752 156 I HA -0.164 4.006 4.170 -0.000 0.000 0.287 156 I C 0.444 176.665 176.117 0.173 0.000 1.188 156 I CA 0.414 61.786 61.300 0.119 0.000 1.427 156 I CB 0.139 38.185 38.000 0.077 0.000 1.365 156 I HN 0.457 nan 8.210 nan 0.000 0.585 157 Y N 6.599 126.920 120.300 0.036 0.000 3.040 157 Y HA 0.077 4.627 4.550 -0.000 0.000 0.392 157 Y C 0.388 176.311 175.900 0.038 0.000 1.105 157 Y CA -0.077 58.044 58.100 0.035 0.000 1.950 157 Y CB -0.309 38.160 38.460 0.015 0.000 2.014 157 Y HN 0.543 nan 8.280 nan 0.000 0.433 158 Q N -0.220 119.553 119.800 -0.046 0.000 2.527 158 Q HA 0.335 4.675 4.340 -0.000 0.000 0.280 158 Q C -0.708 175.269 176.000 -0.040 0.000 0.977 158 Q CA -1.126 54.636 55.803 -0.068 0.000 0.837 158 Q CB 1.226 29.960 28.738 -0.007 0.000 1.454 158 Q HN 0.303 nan 8.270 nan 0.000 0.387 159 N N 0.818 119.494 118.700 -0.041 0.000 1.324 159 N HA -0.278 4.462 4.740 -0.000 0.000 0.111 159 N C 0.540 176.043 175.510 -0.012 0.000 0.839 159 N CA 1.350 54.380 53.050 -0.034 0.000 0.856 159 N CB -0.866 37.595 38.487 -0.044 0.000 0.936 159 N HN 0.905 nan 8.380 nan 0.000 0.657 160 E N 0.515 120.691 120.200 -0.040 0.000 2.110 160 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 160 E C 1.955 178.696 176.600 0.235 0.000 0.988 160 E CA 1.898 58.308 56.400 0.017 0.000 0.804 160 E CB -0.171 29.409 29.700 -0.200 0.000 0.745 160 E HN 0.616 nan 8.360 nan 0.000 0.458 161 S N -0.009 115.774 115.700 0.138 0.000 2.402 161 S HA -0.073 4.397 4.470 -0.000 0.000 0.229 161 S C 2.172 176.855 174.600 0.139 0.000 1.021 161 S CA 0.976 59.267 58.200 0.152 0.000 0.974 161 S CB -0.435 62.829 63.200 0.106 0.000 0.800 161 S HN 0.289 nan 8.310 nan 0.000 0.484 162 G N 1.143 109.981 108.800 0.063 0.000 2.422 162 G HA2 0.172 4.132 3.960 -0.000 0.000 0.218 162 G HA3 0.172 4.132 3.960 -0.000 0.000 0.218 162 G C 1.606 176.488 174.900 -0.030 0.000 1.140 162 G CA 0.618 45.686 45.100 -0.053 0.000 0.775 162 G HN 0.762 nan 8.290 nan 0.000 0.545 163 A N 0.751 123.629 122.820 0.098 0.000 1.930 163 A HA 0.126 4.446 4.320 -0.000 0.000 0.217 163 A C 2.342 180.043 177.584 0.195 0.000 1.175 163 A CA 0.983 53.131 52.037 0.185 0.000 0.627 163 A CB -0.281 18.967 19.000 0.413 0.000 0.815 163 A HN 0.359 nan 8.150 nan 0.000 0.443 164 I N 0.120 120.833 120.570 0.238 0.000 2.226 164 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 164 I C 2.498 178.715 176.117 0.167 0.000 1.100 164 I CA 1.407 62.812 61.300 0.175 0.000 1.374 164 I CB -0.421 37.700 38.000 0.200 0.000 1.057 164 I HN 0.390 nan 8.210 nan 0.000 0.413 165 N N 0.940 119.751 118.700 0.185 0.000 2.069 165 N HA -0.224 4.516 4.740 -0.000 0.000 0.191 165 N C 1.769 177.408 175.510 0.215 0.000 1.031 165 N CA 1.610 54.799 53.050 0.231 0.000 0.852 165 N CB -0.066 38.622 38.487 0.334 0.000 1.018 165 N HN 0.253 nan 8.380 nan 0.000 0.423 166 E N 0.700 121.025 120.200 0.209 0.000 2.051 166 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 166 E C 1.926 178.585 176.600 0.099 0.000 0.991 166 E CA 1.094 57.603 56.400 0.181 0.000 0.799 166 E CB -0.616 29.144 29.700 0.101 0.000 0.748 166 E HN 0.456 nan 8.360 nan 0.000 0.449 167 A N 1.659 124.535 122.820 0.092 0.000 1.908 167 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 167 A C 2.238 179.837 177.584 0.024 0.000 1.181 167 A CA 1.310 53.380 52.037 0.055 0.000 0.627 167 A CB -0.562 18.458 19.000 0.034 0.000 0.818 167 A HN 0.167 nan 8.150 nan 0.000 0.445 168 I N -0.111 120.505 120.570 0.077 0.000 2.226 168 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 168 I C 2.573 178.751 176.117 0.101 0.000 1.100 168 I CA 1.686 63.079 61.300 0.155 0.000 1.374 168 I CB -1.448 36.708 38.000 0.259 0.000 1.057 168 I HN 0.232 nan 8.210 nan 0.000 0.413 169 S N 0.619 116.238 115.700 -0.135 0.000 2.382 169 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 169 S C 1.570 176.022 174.600 -0.246 0.000 1.027 169 S CA 1.383 59.315 58.200 -0.447 0.000 0.991 169 S CB -0.155 62.216 63.200 -1.382 0.000 0.823 169 S HN 0.430 nan 8.310 nan 0.000 0.469 170 D N 1.133 121.498 120.400 -0.059 0.000 2.103 170 D HA 0.032 4.671 4.640 -0.000 0.000 0.199 170 D C 1.863 178.178 176.300 0.026 0.000 0.978 170 D CA 0.709 54.785 54.000 0.126 0.000 0.829 170 D CB -0.351 40.546 40.800 0.162 0.000 0.981 170 D HN 0.336 nan 8.370 nan 0.000 0.464 171 I N 0.078 120.610 120.570 -0.064 0.000 2.127 171 I HA -0.282 3.888 4.170 -0.000 0.000 0.241 171 I C 2.004 177.951 176.117 -0.284 0.000 1.075 171 I CA 1.083 62.248 61.300 -0.225 0.000 1.334 171 I CB -0.261 37.457 38.000 -0.470 0.000 1.040 171 I HN -0.095 nan 8.210 nan 0.000 0.405 172 F N 0.508 120.431 119.950 -0.044 0.000 2.407 172 F HA -0.003 4.524 4.527 -0.000 0.000 0.299 172 F C 2.398 178.103 175.800 -0.160 0.000 1.097 172 F CA 1.089 59.043 58.000 -0.076 0.000 1.422 172 F CB -0.910 38.130 39.000 0.067 0.000 1.067 172 F HN 0.009 nan 8.300 nan 0.000 0.539 173 G N -1.234 107.589 108.800 0.038 0.000 2.464 173 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.217 173 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.217 173 G C 1.732 176.581 174.900 -0.084 0.000 1.138 173 G CA 1.089 46.187 45.100 -0.003 0.000 0.793 173 G HN 0.245 nan 8.290 nan 0.000 0.539 174 T N 1.394 115.891 114.554 -0.095 0.000 2.770 174 T HA -0.039 4.311 4.350 -0.000 0.000 0.263 174 T C 2.317 176.937 174.700 -0.133 0.000 1.039 174 T CA 0.550 62.563 62.100 -0.145 0.000 1.142 174 T CB -0.151 68.618 68.868 -0.165 0.000 0.868 174 T HN 0.014 nan 8.240 nan 0.000 0.435 175 L N 1.245 122.351 121.223 -0.195 0.000 2.042 175 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 175 L C 2.617 179.314 176.870 -0.289 0.000 1.076 175 L CA 1.362 56.081 54.840 -0.203 0.000 0.749 175 L CB -1.319 40.612 42.059 -0.213 0.000 0.893 175 L HN 0.149 nan 8.230 nan 0.000 0.432 176 V N -0.672 118.944 119.914 -0.496 0.000 2.343 176 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 176 V C 2.534 178.553 176.094 -0.125 0.000 1.051 176 V CA 1.754 63.790 62.300 -0.440 0.000 1.036 176 V CB -0.525 31.058 31.823 -0.399 0.000 0.654 176 V HN 0.530 nan 8.190 nan 0.000 0.451 177 E N -0.467 119.639 120.200 -0.157 0.000 2.110 177 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 177 E C 2.062 178.547 176.600 -0.191 0.000 0.988 177 E CA 1.405 57.689 56.400 -0.193 0.000 0.804 177 E CB -0.141 29.394 29.700 -0.275 0.000 0.745 177 E HN 0.581 nan 8.360 nan 0.000 0.458 178 F N -0.446 119.399 119.950 -0.175 0.000 2.163 178 F HA -0.113 4.414 4.527 0.000 0.000 0.297 178 F C 2.177 177.951 175.800 -0.043 0.000 1.094 178 F CA 1.363 59.281 58.000 -0.137 0.000 1.290 178 F CB -0.595 38.292 39.000 -0.188 0.000 1.017 178 F HN 0.143 nan 8.300 nan 0.000 0.483 179 Y N 0.484 120.829 120.300 0.074 0.000 2.114 179 Y HA -0.314 4.236 4.550 -0.000 0.000 0.282 179 Y C 2.277 178.205 175.900 0.047 0.000 1.165 179 Y CA 1.729 59.873 58.100 0.073 0.000 1.148 179 Y CB -0.387 38.134 38.460 0.101 0.000 0.972 179 Y HN -0.018 nan 8.280 nan 0.000 0.504 180 A N -0.288 122.537 122.820 0.009 0.000 2.123 180 A HA -0.028 4.292 4.320 -0.000 0.000 0.214 180 A C 1.121 178.664 177.584 -0.068 0.000 1.152 180 A CA 0.821 52.827 52.037 -0.051 0.000 0.728 180 A CB -0.649 18.391 19.000 0.067 0.000 0.814 180 A HN 0.729 nan 8.150 nan 0.000 0.464 181 N N -1.606 117.050 118.700 -0.073 0.000 2.754 181 N HA -0.168 4.572 4.740 -0.000 0.000 0.248 181 N C -0.024 175.431 175.510 -0.091 0.000 1.093 181 N CA 1.039 54.041 53.050 -0.079 0.000 0.699 181 N CB -1.300 37.155 38.487 -0.053 0.000 1.016 181 N HN 0.534 nan 8.380 nan 0.000 0.552 182 K N 1.308 121.637 120.400 -0.117 0.000 2.535 182 K HA 0.154 4.474 4.320 -0.000 0.000 0.242 182 K C -0.069 176.440 176.600 -0.152 0.000 1.210 182 K CA -0.318 55.911 56.287 -0.097 0.000 1.178 182 K CB -0.329 32.127 32.500 -0.073 0.000 1.778 182 K HN 0.375 nan 8.250 nan 0.000 0.372 183 N N 1.752 120.365 118.700 -0.146 0.000 2.671 183 N HA -0.119 4.621 4.740 -0.000 0.000 0.261 183 N C -2.784 172.555 175.510 -0.285 0.000 1.053 183 N CA 0.211 53.165 53.050 -0.161 0.000 0.732 183 N CB -0.270 38.154 38.487 -0.105 0.000 0.887 183 N HN 0.395 nan 8.380 nan 0.000 0.546 184 P HA 0.227 nan 4.420 nan 0.000 0.271 184 P C -0.380 176.452 177.300 -0.780 0.000 1.218 184 P CA 0.199 62.751 63.100 -0.913 0.000 0.780 184 P CB 0.869 31.515 31.700 -1.758 0.000 0.901 185 D N -0.192 119.771 120.400 -0.729 0.000 2.768 185 D HA 0.316 4.956 4.640 -0.000 0.000 0.327 185 D C -1.125 175.034 176.300 -0.236 0.000 1.302 185 D CA -0.639 53.194 54.000 -0.278 0.000 0.897 185 D CB -0.046 40.706 40.800 -0.080 0.000 1.420 185 D HN 0.245 nan 8.370 nan 0.000 0.494 186 W N 0.054 121.419 121.300 0.109 0.000 2.926 186 W HA 0.341 5.001 4.660 -0.000 0.000 0.419 186 W C -0.213 176.325 176.519 0.031 0.000 0.993 186 W CA -0.415 57.003 57.345 0.122 0.000 2.025 186 W CB 0.642 30.199 29.460 0.161 0.000 1.152 186 W HN 0.057 nan 8.180 nan 0.000 0.659 187 E N 0.828 121.110 120.200 0.138 0.000 2.222 187 E HA 0.406 4.756 4.350 -0.000 0.000 0.267 187 E C -0.213 176.408 176.600 0.036 0.000 0.963 187 E CA -0.805 55.651 56.400 0.092 0.000 0.837 187 E CB 2.263 32.010 29.700 0.079 0.000 1.183 187 E HN -0.190 nan 8.360 nan 0.000 0.403 188 I N 0.576 121.155 120.570 0.016 0.000 2.389 188 I HA 0.259 4.429 4.170 -0.000 0.000 0.288 188 I C 1.131 177.209 176.117 -0.065 0.000 0.999 188 I CA -0.290 61.000 61.300 -0.016 0.000 1.129 188 I CB 0.406 38.411 38.000 0.010 0.000 1.288 188 I HN 0.798 nan 8.210 nan 0.000 0.444 189 G N 5.376 114.162 108.800 -0.024 0.000 2.155 189 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.257 189 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.257 189 G C 1.051 175.992 174.900 0.068 0.000 0.983 189 G CA 0.606 45.727 45.100 0.034 0.000 0.676 189 G HN 0.764 nan 8.290 nan 0.000 0.528 190 E N 0.744 120.961 120.200 0.028 0.000 2.171 190 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 190 E C 1.310 177.954 176.600 0.073 0.000 0.997 190 E CA 1.794 58.228 56.400 0.057 0.000 0.810 190 E CB -0.425 29.293 29.700 0.030 0.000 0.738 190 E HN 0.434 nan 8.360 nan 0.000 0.467 191 D N 0.594 121.028 120.400 0.056 0.000 2.277 191 D HA -0.049 4.591 4.640 -0.000 0.000 0.208 191 D C 1.858 178.213 176.300 0.092 0.000 0.962 191 D CA 1.509 55.540 54.000 0.051 0.000 0.865 191 D CB 0.523 41.334 40.800 0.020 0.000 0.939 191 D HN 0.365 nan 8.370 nan 0.000 0.510 192 V N -3.005 117.004 119.914 0.159 0.000 3.502 192 V HA 0.251 4.371 4.120 -0.000 0.000 0.288 192 V C 0.241 176.512 176.094 0.295 0.000 1.461 192 V CA -0.618 61.824 62.300 0.236 0.000 1.029 192 V CB -0.623 31.376 31.823 0.293 0.000 0.843 192 V HN -0.118 nan 8.190 nan 0.000 0.438 193 Y N 3.609 123.914 120.300 0.008 0.000 2.299 193 Y HA 0.458 5.008 4.550 -0.000 0.000 0.326 193 Y C 1.308 177.071 175.900 -0.229 0.000 1.164 193 Y CA 0.296 58.211 58.100 -0.309 0.000 1.234 193 Y CB 0.864 39.132 38.460 -0.320 0.000 1.219 193 Y HN 0.592 nan 8.280 nan 0.000 0.497 194 T N 5.231 119.306 114.554 -0.799 0.000 2.773 194 T HA -0.131 4.219 4.350 -0.000 0.000 0.474 194 T C -1.870 172.665 174.700 -0.276 0.000 0.782 194 T CA 0.053 61.794 62.100 -0.598 0.000 2.454 194 T CB -1.023 67.389 68.868 -0.759 0.000 1.629 194 T HN 0.669 nan 8.240 nan 0.000 0.500 195 P HA -0.044 nan 4.420 nan 0.000 0.223 195 P C 1.688 178.945 177.300 -0.073 0.000 1.144 195 P CA 1.513 64.563 63.100 -0.083 0.000 0.783 195 P CB -0.444 31.232 31.700 -0.040 0.000 0.771 196 G N -0.922 107.817 108.800 -0.100 0.000 2.539 196 G HA2 0.063 4.023 3.960 -0.000 0.000 0.215 196 G HA3 0.063 4.023 3.960 -0.000 0.000 0.215 196 G C 0.522 175.380 174.900 -0.071 0.000 1.141 196 G CA 0.128 45.184 45.100 -0.074 0.000 0.806 196 G HN 0.112 nan 8.290 nan 0.000 0.533 197 I N 1.199 121.709 120.570 -0.100 0.000 2.385 197 I HA 0.470 4.640 4.170 -0.000 0.000 0.294 197 I C 0.084 176.176 176.117 -0.042 0.000 0.988 197 I CA -1.530 59.729 61.300 -0.070 0.000 1.265 197 I CB 1.006 38.955 38.000 -0.085 0.000 1.388 197 I HN -0.229 nan 8.210 nan 0.000 0.480 198 S N 2.785 118.477 115.700 -0.013 0.000 2.654 198 S HA 0.622 5.091 4.470 -0.000 0.000 0.283 198 S C 1.015 175.631 174.600 0.028 0.000 1.180 198 S CA 0.255 58.458 58.200 0.005 0.000 1.021 198 S CB 1.435 64.638 63.200 0.003 0.000 1.018 198 S HN 1.128 nan 8.310 nan 0.000 0.532 199 G N 2.039 110.862 108.800 0.039 0.000 2.196 199 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.268 199 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.268 199 G C -0.167 174.799 174.900 0.109 0.000 0.975 199 G CA 0.713 45.849 45.100 0.060 0.000 0.648 199 G HN 0.808 nan 8.290 nan 0.000 0.538 200 D N -0.020 120.456 120.400 0.126 0.000 2.440 200 D HA 0.773 5.413 4.640 -0.000 0.000 0.258 200 D C 0.383 176.787 176.300 0.173 0.000 1.092 200 D CA 0.034 54.160 54.000 0.211 0.000 1.016 200 D CB 1.426 42.358 40.800 0.220 0.000 1.141 200 D HN 0.947 nan 8.370 nan 0.000 0.552 201 S N -1.085 114.640 115.700 0.041 0.000 2.656 201 S HA 0.311 4.781 4.470 -0.000 0.000 0.273 201 S C 0.251 174.367 174.600 -0.806 0.000 1.168 201 S CA -0.817 57.269 58.200 -0.191 0.000 0.817 201 S CB 0.982 64.142 63.200 -0.067 0.000 1.146 201 S HN 0.328 nan 8.310 nan 0.000 0.475 202 L N 0.722 121.436 121.223 -0.848 0.000 2.095 202 L HA 0.447 4.787 4.340 -0.000 0.000 0.204 202 L C 0.757 177.230 176.870 -0.661 0.000 1.080 202 L CA 1.522 55.772 54.840 -0.985 0.000 0.759 202 L CB -0.493 41.191 42.059 -0.626 0.000 0.914 202 L HN 0.754 nan 8.230 nan 0.000 0.439 203 R N -1.881 118.401 120.500 -0.364 0.000 2.707 203 R HA 0.445 4.785 4.340 -0.000 0.000 0.272 203 R C -1.192 175.179 176.300 0.119 0.000 1.011 203 R CA -0.508 55.558 56.100 -0.057 0.000 0.893 203 R CB 1.777 32.092 30.300 0.026 0.000 1.233 203 R HN -0.065 nan 8.270 nan 0.000 0.464 204 S N 1.276 117.139 115.700 0.271 0.000 2.454 204 S HA 0.354 4.823 4.470 -0.000 0.000 0.306 204 S C 0.691 175.336 174.600 0.074 0.000 1.100 204 S CA -0.611 57.700 58.200 0.184 0.000 1.087 204 S CB 1.142 64.416 63.200 0.124 0.000 1.019 204 S HN 0.644 nan 8.310 nan 0.000 0.480 205 M N 2.872 122.505 119.600 0.055 0.000 2.325 205 M HA 0.007 4.487 4.480 -0.000 0.000 0.265 205 M C 2.342 178.490 176.300 -0.253 0.000 1.094 205 M CA 0.917 56.226 55.300 0.016 0.000 1.161 205 M CB -0.497 32.231 32.600 0.213 0.000 1.358 205 M HN 0.790 nan 8.290 nan 0.000 0.446 206 S N -0.282 115.119 115.700 -0.499 0.000 2.382 206 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 206 S C 0.709 174.923 174.600 -0.643 0.000 1.027 206 S CA 1.407 58.887 58.200 -1.199 0.000 0.991 206 S CB -0.186 62.360 63.200 -1.090 0.000 0.823 206 S HN 0.444 nan 8.310 nan 0.000 0.469 207 D N 0.890 121.093 120.400 -0.328 0.000 2.586 207 D HA 0.385 5.025 4.640 -0.000 0.000 0.254 207 D C -2.493 173.738 176.300 -0.114 0.000 1.248 207 D CA -2.080 51.797 54.000 -0.204 0.000 0.843 207 D CB 1.277 41.964 40.800 -0.188 0.000 1.332 207 D HN -0.066 nan 8.370 nan 0.000 0.523 208 P HA -0.128 nan 4.420 nan 0.000 0.217 208 P C 1.276 178.592 177.300 0.027 0.000 1.148 208 P CA 1.150 64.268 63.100 0.030 0.000 0.828 208 P CB 0.218 31.954 31.700 0.060 0.000 0.783 209 A N -0.043 122.780 122.820 0.005 0.000 2.076 209 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 209 A C 2.257 179.792 177.584 -0.082 0.000 1.160 209 A CA 1.550 53.589 52.037 0.003 0.000 0.653 209 A CB -1.220 17.800 19.000 0.032 0.000 0.801 209 A HN 0.158 nan 8.150 nan 0.000 0.455 210 K N -1.414 118.857 120.400 -0.216 0.000 2.160 210 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 210 K C 0.597 176.851 176.600 -0.577 0.000 1.047 210 K CA 1.830 57.842 56.287 -0.459 0.000 0.930 210 K CB -0.230 31.862 32.500 -0.680 0.000 0.720 210 K HN 0.698 nan 8.250 nan 0.000 0.450 211 Y N -1.594 118.709 120.300 0.004 0.000 2.557 211 Y HA 0.258 4.808 4.550 0.000 0.000 0.247 211 Y C 1.033 176.938 175.900 0.009 0.000 1.164 211 Y CA -0.148 57.955 58.100 0.004 0.000 1.218 211 Y CB 1.615 40.069 38.460 -0.010 0.000 1.210 211 Y HN 0.218 nan 8.280 nan 0.000 0.529 212 G N 0.135 108.985 108.800 0.083 0.000 2.157 212 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.239 212 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.239 212 G C -0.475 174.472 174.900 0.079 0.000 0.982 212 G CA -0.157 44.986 45.100 0.073 0.000 0.650 212 G HN 0.241 nan 8.290 nan 0.000 0.527 213 D N 1.619 122.078 120.400 0.099 0.000 2.225 213 D HA 0.488 5.128 4.640 -0.000 0.000 0.249 213 D C -1.931 174.441 176.300 0.121 0.000 1.052 213 D CA -1.299 52.765 54.000 0.106 0.000 0.909 213 D CB 1.502 42.375 40.800 0.121 0.000 1.186 213 D HN 0.150 nan 8.370 nan 0.000 0.431 214 P HA 0.088 nan 4.420 nan 0.000 0.271 214 P C -0.168 177.254 177.300 0.204 0.000 1.216 214 P CA -0.161 63.044 63.100 0.175 0.000 0.776 214 P CB 0.791 32.596 31.700 0.176 0.000 0.881 215 D N -0.617 119.950 120.400 0.280 0.000 2.513 215 D HA 0.084 4.724 4.640 -0.000 0.000 0.222 215 D C 0.008 176.624 176.300 0.527 0.000 1.210 215 D CA 0.161 54.369 54.000 0.347 0.000 0.825 215 D CB -0.237 40.776 40.800 0.355 0.000 1.037 215 D HN 0.409 nan 8.370 nan 0.000 0.506 216 H N -0.523 118.717 119.070 0.284 0.000 2.954 216 H HA 0.071 4.627 4.556 -0.000 0.000 0.361 216 H C -0.659 174.784 175.328 0.192 0.000 1.122 216 H CA -0.576 55.574 56.048 0.171 0.000 1.217 216 H CB 1.512 31.186 29.762 -0.147 0.000 1.776 216 H HN -0.189 nan 8.280 nan 0.000 0.533 217 Y N 3.140 123.308 120.300 -0.221 0.000 2.298 217 Y HA -0.273 4.277 4.550 -0.000 0.000 0.287 217 Y C 2.492 178.448 175.900 0.094 0.000 1.164 217 Y CA 2.402 60.504 58.100 0.003 0.000 1.229 217 Y CB 0.106 38.544 38.460 -0.038 0.000 0.977 217 Y HN 0.588 nan 8.280 nan 0.000 0.538 218 S N -0.969 114.899 115.700 0.279 0.000 2.474 218 S HA -0.118 4.352 4.470 -0.000 0.000 0.235 218 S C 1.546 176.174 174.600 0.047 0.000 0.997 218 S CA 1.029 59.325 58.200 0.159 0.000 0.949 218 S CB -0.290 63.030 63.200 0.201 0.000 0.766 218 S HN 0.498 nan 8.310 nan 0.000 0.517 219 K N 0.782 121.231 120.400 0.082 0.000 2.373 219 K HA 0.213 4.533 4.320 -0.000 0.000 0.202 219 K C 0.617 177.250 176.600 0.055 0.000 1.025 219 K CA -0.389 55.944 56.287 0.076 0.000 1.115 219 K CB 0.300 32.883 32.500 0.137 0.000 0.858 219 K HN 0.359 nan 8.250 nan 0.000 0.525 220 R N 1.319 121.798 120.500 -0.035 0.000 2.640 220 R HA -0.078 4.262 4.340 -0.000 0.000 0.270 220 R C -0.859 175.444 176.300 0.005 0.000 1.024 220 R CA 0.027 56.092 56.100 -0.059 0.000 1.085 220 R CB 0.225 30.294 30.300 -0.385 0.000 0.963 220 R HN -0.041 nan 8.270 nan 0.000 0.426 221 Y N 3.933 124.199 120.300 -0.057 0.000 2.393 221 Y HA 0.065 4.615 4.550 -0.000 0.000 0.338 221 Y C 0.669 176.527 175.900 -0.070 0.000 1.029 221 Y CA 0.361 58.437 58.100 -0.040 0.000 1.239 221 Y CB 1.194 39.653 38.460 -0.001 0.000 1.170 221 Y HN 0.742 nan 8.280 nan 0.000 0.515 222 T N 1.361 115.525 114.554 -0.650 0.000 3.069 222 T HA 0.323 4.673 4.350 -0.000 0.000 0.252 222 T C 1.076 175.391 174.700 -0.642 0.000 1.053 222 T CA 0.177 61.964 62.100 -0.522 0.000 0.964 222 T CB -0.176 68.510 68.868 -0.304 0.000 1.005 222 T HN 0.717 nan 8.240 nan 0.000 0.532 223 G N 0.881 108.942 108.800 -1.232 0.000 2.468 223 G HA2 0.335 4.295 3.960 -0.000 0.000 0.264 223 G HA3 0.335 4.295 3.960 -0.000 0.000 0.264 223 G C 0.671 175.375 174.900 -0.327 0.000 1.460 223 G CA 0.314 44.969 45.100 -0.741 0.000 1.060 223 G HN 0.228 nan 8.290 nan 0.000 0.543 224 T N -0.206 114.339 114.554 -0.014 0.000 3.000 224 T HA 0.129 4.479 4.350 -0.000 0.000 0.248 224 T C 1.145 175.951 174.700 0.178 0.000 1.034 224 T CA 0.338 62.485 62.100 0.080 0.000 1.060 224 T CB -0.021 68.869 68.868 0.037 0.000 0.983 224 T HN 0.656 nan 8.240 nan 0.000 0.482 225 Q N 1.418 121.387 119.800 0.283 0.000 2.471 225 Q HA 0.313 4.653 4.340 -0.000 0.000 0.223 225 Q C -0.187 175.925 176.000 0.187 0.000 1.045 225 Q CA -0.171 55.745 55.803 0.188 0.000 0.956 225 Q CB 0.013 28.820 28.738 0.115 0.000 1.249 225 Q HN 0.071 nan 8.270 nan 0.000 0.549 226 D N 0.208 120.678 120.400 0.116 0.000 2.689 226 D HA -0.260 4.380 4.640 -0.000 0.000 0.237 226 D C -1.049 175.308 176.300 0.094 0.000 1.148 226 D CA 1.293 55.366 54.000 0.122 0.000 0.656 226 D CB -1.843 39.025 40.800 0.114 0.000 1.050 226 D HN 0.941 nan 8.370 nan 0.000 0.426 227 N N -1.008 117.739 118.700 0.078 0.000 2.693 227 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 227 N C 0.741 176.264 175.510 0.022 0.000 1.119 227 N CA 1.387 54.454 53.050 0.029 0.000 0.717 227 N CB -1.157 37.308 38.487 -0.036 0.000 1.071 227 N HN 1.005 nan 8.380 nan 0.000 0.555 228 G N -1.476 107.384 108.800 0.101 0.000 2.255 228 G HA2 0.192 4.152 3.960 -0.000 0.000 0.239 228 G HA3 0.192 4.152 3.960 -0.000 0.000 0.239 228 G C 0.706 175.734 174.900 0.212 0.000 1.083 228 G CA 0.326 45.497 45.100 0.120 0.000 0.826 228 G HN 1.443 nan 8.290 nan 0.000 0.493 229 G N -2.174 106.798 108.800 0.287 0.000 2.295 229 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.287 229 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.287 229 G C 1.253 176.217 174.900 0.108 0.000 1.055 229 G CA 0.606 45.843 45.100 0.228 0.000 0.922 229 G HN 1.493 nan 8.290 nan 0.000 0.503 230 V N -0.785 119.117 119.914 -0.020 0.000 2.490 230 V HA -0.154 3.966 4.120 -0.000 0.000 0.250 230 V C 2.264 178.249 176.094 -0.182 0.000 1.061 230 V CA 2.762 64.952 62.300 -0.182 0.000 1.064 230 V CB -0.374 31.150 31.823 -0.498 0.000 0.670 230 V HN 0.742 nan 8.190 nan 0.000 0.461 231 H N -1.812 117.291 119.070 0.056 0.000 2.592 231 H HA 0.262 4.818 4.556 -0.000 0.000 0.265 231 H C 1.853 177.225 175.328 0.074 0.000 0.955 231 H CA 0.489 56.592 56.048 0.091 0.000 1.175 231 H CB 0.235 30.049 29.762 0.086 0.000 1.433 231 H HN 0.364 nan 8.280 nan 0.000 0.537 232 I N 0.099 120.756 120.570 0.144 0.000 2.368 232 I HA -0.133 4.037 4.170 -0.000 0.000 0.238 232 I C 1.525 177.736 176.117 0.157 0.000 1.076 232 I CA 0.492 61.853 61.300 0.103 0.000 1.397 232 I CB -0.058 37.935 38.000 -0.012 0.000 1.141 232 I HN 0.138 nan 8.210 nan 0.000 0.430 233 N N 1.133 119.954 118.700 0.202 0.000 2.519 233 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 233 N C 1.924 177.634 175.510 0.333 0.000 1.062 233 N CA 1.413 54.642 53.050 0.299 0.000 0.910 233 N CB -0.353 38.331 38.487 0.329 0.000 0.958 233 N HN 0.401 nan 8.380 nan 0.000 0.445 234 S N -0.507 115.323 115.700 0.217 0.000 2.419 234 S HA -0.086 4.384 4.470 -0.000 0.000 0.235 234 S C 2.136 176.798 174.600 0.104 0.000 1.019 234 S CA 1.121 59.409 58.200 0.145 0.000 0.982 234 S CB -0.906 62.374 63.200 0.133 0.000 0.789 234 S HN 0.330 nan 8.310 nan 0.000 0.490 235 G N 2.016 110.894 108.800 0.129 0.000 2.450 235 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.220 235 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.220 235 G C 1.325 176.272 174.900 0.078 0.000 1.130 235 G CA 0.986 46.147 45.100 0.101 0.000 0.760 235 G HN 0.611 nan 8.290 nan 0.000 0.557 236 I N 0.842 121.482 120.570 0.117 0.000 2.179 236 I HA -0.152 4.018 4.170 -0.000 0.000 0.242 236 I C 2.483 178.565 176.117 -0.059 0.000 1.088 236 I CA 0.663 62.024 61.300 0.102 0.000 1.357 236 I CB -0.216 37.959 38.000 0.291 0.000 1.051 236 I HN 0.057 nan 8.210 nan 0.000 0.409 237 I N 0.873 121.352 120.570 -0.152 0.000 2.252 237 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 237 I C 2.189 178.221 176.117 -0.142 0.000 1.102 237 I CA 1.510 62.700 61.300 -0.183 0.000 1.385 237 I CB -1.734 36.152 38.000 -0.191 0.000 1.064 237 I HN 0.300 nan 8.210 nan 0.000 0.414 238 N N 1.330 119.983 118.700 -0.078 0.000 2.120 238 N HA -0.207 4.533 4.740 -0.000 0.000 0.188 238 N C 1.829 177.297 175.510 -0.069 0.000 1.024 238 N CA 1.168 54.186 53.050 -0.053 0.000 0.852 238 N CB -0.298 38.200 38.487 0.018 0.000 1.003 238 N HN 0.275 nan 8.380 nan 0.000 0.424 239 K N 1.241 121.590 120.400 -0.085 0.000 2.026 239 K HA 0.051 4.371 4.320 -0.000 0.000 0.208 239 K C 1.815 178.320 176.600 -0.159 0.000 1.048 239 K CA 1.418 57.632 56.287 -0.122 0.000 0.929 239 K CB -0.676 31.738 32.500 -0.142 0.000 0.713 239 K HN 0.097 nan 8.250 nan 0.000 0.439 240 A N 0.582 123.264 122.820 -0.231 0.000 1.883 240 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 240 A C 2.400 179.793 177.584 -0.318 0.000 1.186 240 A CA 2.307 54.120 52.037 -0.372 0.000 0.624 240 A CB -1.210 17.356 19.000 -0.724 0.000 0.822 240 A HN 0.456 nan 8.150 nan 0.000 0.444 241 A N -1.564 121.089 122.820 -0.279 0.000 1.902 241 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 241 A C 2.148 179.564 177.584 -0.279 0.000 1.181 241 A CA 1.670 53.522 52.037 -0.308 0.000 0.623 241 A CB -0.873 17.864 19.000 -0.438 0.000 0.818 241 A HN 0.787 nan 8.150 nan 0.000 0.443 242 Y N -0.114 119.945 120.300 -0.402 0.000 2.128 242 Y HA -0.215 4.335 4.550 0.000 0.000 0.284 242 Y C 1.989 177.564 175.900 -0.543 0.000 1.154 242 Y CA 1.837 59.537 58.100 -0.666 0.000 1.149 242 Y CB -0.188 37.922 38.460 -0.583 0.000 0.976 242 Y HN 0.208 nan 8.280 nan 0.000 0.505 243 L N 0.482 121.439 121.223 -0.444 0.000 2.027 243 L HA -0.198 4.142 4.340 -0.000 0.000 0.206 243 L C 2.410 179.073 176.870 -0.345 0.000 1.074 243 L CA 1.597 56.199 54.840 -0.398 0.000 0.745 243 L CB -1.274 40.661 42.059 -0.207 0.000 0.898 243 L HN 0.377 nan 8.230 nan 0.000 0.433 244 I N -1.461 118.959 120.570 -0.250 0.000 2.194 244 I HA -0.374 3.796 4.170 -0.000 0.000 0.246 244 I C 2.708 178.709 176.117 -0.192 0.000 1.093 244 I CA 1.659 62.867 61.300 -0.153 0.000 1.355 244 I CB -0.416 37.562 38.000 -0.036 0.000 1.046 244 I HN 0.265 nan 8.210 nan 0.000 0.413 245 S N -0.203 115.326 115.700 -0.284 0.000 2.348 245 S HA -0.132 4.338 4.470 -0.000 0.000 0.219 245 S C 1.974 176.370 174.600 -0.341 0.000 1.033 245 S CA 1.080 59.123 58.200 -0.261 0.000 0.974 245 S CB 0.060 63.136 63.200 -0.207 0.000 0.868 245 S HN 0.362 nan 8.310 nan 0.000 0.459 246 Q N 0.166 119.604 119.800 -0.604 0.000 2.373 246 Q HA 0.339 4.679 4.340 -0.000 0.000 0.210 246 Q C 1.268 177.014 176.000 -0.423 0.000 0.913 246 Q CA 0.705 56.160 55.803 -0.580 0.000 0.911 246 Q CB -0.007 28.105 28.738 -1.045 0.000 1.040 246 Q HN 0.627 nan 8.270 nan 0.000 0.521 247 G N -0.227 108.325 108.800 -0.414 0.000 2.757 247 G HA2 0.215 4.175 3.960 -0.000 0.000 0.638 247 G HA3 0.215 4.175 3.960 -0.000 0.000 0.638 247 G C 0.001 174.771 174.900 -0.216 0.000 1.344 247 G CA -0.119 44.829 45.100 -0.252 0.000 0.855 247 G HN 0.773 nan 8.290 nan 0.000 0.537 248 G N -2.580 106.154 108.800 -0.110 0.000 2.351 248 G HA2 0.584 4.544 3.960 -0.000 0.000 0.353 248 G HA3 0.584 4.544 3.960 -0.000 0.000 0.353 248 G C -0.659 174.242 174.900 0.001 0.000 1.358 248 G CA 0.487 45.558 45.100 -0.048 0.000 0.995 248 G HN 1.795 nan 8.290 nan 0.000 0.611 249 T N 0.769 115.343 114.554 0.033 0.000 2.788 249 T HA 0.576 4.926 4.350 -0.000 0.000 0.296 249 T C -0.768 174.005 174.700 0.122 0.000 1.009 249 T CA -0.152 61.985 62.100 0.062 0.000 0.949 249 T CB 0.957 69.843 68.868 0.030 0.000 0.946 249 T HN 0.766 nan 8.240 nan 0.000 0.453 250 H N 2.016 121.106 119.070 0.032 0.000 2.589 250 H HA 0.343 4.899 4.556 -0.000 0.000 0.335 250 H C -0.635 174.791 175.328 0.164 0.000 1.019 250 H CA -1.103 54.973 56.048 0.047 0.000 1.213 250 H CB 0.208 30.031 29.762 0.101 0.000 1.472 250 H HN 0.689 nan 8.280 nan 0.000 0.508 251 Y N 3.102 123.252 120.300 -0.251 0.000 3.305 251 Y HA -0.276 4.274 4.550 -0.000 0.000 0.212 251 Y C 1.653 177.509 175.900 -0.074 0.000 1.248 251 Y CA 1.433 59.410 58.100 -0.206 0.000 1.359 251 Y CB -1.478 36.813 38.460 -0.281 0.000 1.407 251 Y HN 1.098 nan 8.280 nan 0.000 0.572 252 G N -2.134 106.701 108.800 0.057 0.000 2.205 252 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.261 252 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.261 252 G C -0.073 174.865 174.900 0.064 0.000 0.980 252 G CA 0.000 45.132 45.100 0.052 0.000 0.632 252 G HN 0.642 nan 8.290 nan 0.000 0.533 253 V N 1.777 121.748 119.914 0.095 0.000 2.370 253 V HA 0.604 4.724 4.120 -0.000 0.000 0.279 253 V C 0.508 176.649 176.094 0.078 0.000 1.029 253 V CA -0.195 62.160 62.300 0.091 0.000 0.870 253 V CB 1.645 33.540 31.823 0.120 0.000 0.984 253 V HN 0.299 nan 8.190 nan 0.000 0.451 254 S N 4.195 119.924 115.700 0.048 0.000 2.475 254 S HA 0.565 5.035 4.470 -0.000 0.000 0.281 254 S C -0.213 174.396 174.600 0.015 0.000 1.198 254 S CA -0.459 57.758 58.200 0.028 0.000 1.063 254 S CB 1.323 64.532 63.200 0.015 0.000 0.972 254 S HN 0.490 nan 8.310 nan 0.000 0.486 255 V N 4.178 124.089 119.914 -0.005 0.000 2.448 255 V HA 0.368 4.488 4.120 -0.000 0.000 0.295 255 V C -0.106 175.955 176.094 -0.055 0.000 1.025 255 V CA -0.866 61.417 62.300 -0.028 0.000 0.859 255 V CB 1.710 33.503 31.823 -0.051 0.000 0.988 255 V HN 0.639 nan 8.190 nan 0.000 0.431 256 V N 3.811 123.694 119.914 -0.051 0.000 2.488 256 V HA 0.466 4.586 4.120 -0.000 0.000 0.277 256 V C 1.132 177.171 176.094 -0.091 0.000 1.046 256 V CA -0.055 62.206 62.300 -0.064 0.000 0.986 256 V CB 1.251 33.044 31.823 -0.049 0.000 0.989 256 V HN 1.007 nan 8.190 nan 0.000 0.475 257 G N 3.832 112.561 108.800 -0.119 0.000 2.442 257 G HA2 0.416 4.376 3.960 -0.000 0.000 0.249 257 G HA3 0.416 4.376 3.960 -0.000 0.000 0.249 257 G C 0.567 175.395 174.900 -0.120 0.000 1.263 257 G CA -0.337 44.672 45.100 -0.152 0.000 0.846 257 G HN 1.004 nan 8.290 nan 0.000 0.555 258 I N -0.015 120.484 120.570 -0.119 0.000 4.082 258 I HA 0.542 4.712 4.170 -0.000 0.000 0.337 258 I C 0.855 176.915 176.117 -0.096 0.000 1.352 258 I CA 0.079 61.312 61.300 -0.112 0.000 1.097 258 I CB -0.143 37.779 38.000 -0.130 0.000 1.048 258 I HN 0.907 nan 8.210 nan 0.000 0.393 259 G N 2.979 111.722 108.800 -0.095 0.000 2.707 259 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.686 259 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.686 259 G C 0.524 175.401 174.900 -0.037 0.000 1.315 259 G CA -0.077 44.981 45.100 -0.071 0.000 0.832 259 G HN 0.636 nan 8.290 nan 0.000 0.573 260 R N 0.075 120.553 120.500 -0.037 0.000 2.115 260 R HA -0.001 4.339 4.340 -0.000 0.000 0.226 260 R C 1.631 177.944 176.300 0.021 0.000 1.100 260 R CA 1.971 58.058 56.100 -0.022 0.000 0.980 260 R CB -0.362 29.880 30.300 -0.097 0.000 0.875 260 R HN 0.470 nan 8.270 nan 0.000 0.445 261 D N 1.027 121.444 120.400 0.027 0.000 2.092 261 D HA -0.108 4.532 4.640 -0.000 0.000 0.193 261 D C 1.741 178.115 176.300 0.124 0.000 0.994 261 D CA 1.702 55.743 54.000 0.069 0.000 0.828 261 D CB 0.070 40.897 40.800 0.045 0.000 0.963 261 D HN 0.266 nan 8.370 nan 0.000 0.450 262 K N -0.306 120.158 120.400 0.107 0.000 2.097 262 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 262 K C 2.025 178.760 176.600 0.225 0.000 1.049 262 K CA 0.436 56.823 56.287 0.167 0.000 0.933 262 K CB -0.179 32.325 32.500 0.006 0.000 0.717 262 K HN 0.095 nan 8.250 nan 0.000 0.442 263 L N 0.816 122.137 121.223 0.164 0.000 1.989 263 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 263 L C 2.149 179.187 176.870 0.280 0.000 1.071 263 L CA 2.239 57.203 54.840 0.206 0.000 0.749 263 L CB -1.034 41.067 42.059 0.070 0.000 0.890 263 L HN 0.178 nan 8.230 nan 0.000 0.431 264 G N -1.021 107.912 108.800 0.222 0.000 2.442 264 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.219 264 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.219 264 G C 1.713 176.993 174.900 0.634 0.000 1.141 264 G CA 1.029 46.352 45.100 0.371 0.000 0.763 264 G HN 0.382 nan 8.290 nan 0.000 0.554 265 K N -0.099 120.595 120.400 0.490 0.000 2.025 265 K HA 0.092 4.412 4.320 -0.000 0.000 0.207 265 K C 2.438 179.294 176.600 0.428 0.000 1.049 265 K CA 0.871 57.435 56.287 0.461 0.000 0.933 265 K CB -0.261 32.447 32.500 0.346 0.000 0.714 265 K HN 0.365 nan 8.250 nan 0.000 0.438 266 I N -0.482 120.329 120.570 0.400 0.000 2.202 266 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 266 I C 1.732 178.009 176.117 0.266 0.000 1.091 266 I CA 1.168 62.648 61.300 0.301 0.000 1.368 266 I CB -0.186 37.986 38.000 0.287 0.000 1.058 266 I HN 0.082 nan 8.210 nan 0.000 0.410 267 F N -0.379 119.738 119.950 0.278 0.000 2.171 267 F HA -0.282 4.245 4.527 -0.000 0.000 0.300 267 F C 2.486 178.520 175.800 0.390 0.000 1.090 267 F CA 1.742 59.919 58.000 0.295 0.000 1.293 267 F CB -0.538 38.570 39.000 0.180 0.000 1.013 267 F HN 0.040 nan 8.300 nan 0.000 0.486 268 Y N 0.700 121.300 120.300 0.499 0.000 2.200 268 Y HA -0.221 4.329 4.550 -0.000 0.000 0.290 268 Y C 2.700 178.654 175.900 0.091 0.000 1.137 268 Y CA 1.727 59.946 58.100 0.199 0.000 1.163 268 Y CB -0.351 38.034 38.460 -0.125 0.000 0.988 268 Y HN -0.105 nan 8.280 nan 0.000 0.518 269 R N 0.307 120.902 120.500 0.159 0.000 2.081 269 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 269 R C 2.343 178.638 176.300 -0.009 0.000 1.131 269 R CA 1.402 57.523 56.100 0.036 0.000 0.960 269 R CB -0.585 29.801 30.300 0.144 0.000 0.856 269 R HN 0.429 nan 8.270 nan 0.000 0.436 270 A N 1.080 123.940 122.820 0.066 0.000 1.902 270 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 270 A C 2.049 179.636 177.584 0.004 0.000 1.181 270 A CA 1.371 53.457 52.037 0.082 0.000 0.623 270 A CB -0.666 18.284 19.000 -0.083 0.000 0.818 270 A HN 0.409 nan 8.150 nan 0.000 0.443 271 L N 0.404 121.607 121.223 -0.033 0.000 1.994 271 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 271 L C 2.667 179.416 176.870 -0.201 0.000 1.071 271 L CA 3.097 57.890 54.840 -0.078 0.000 0.745 271 L CB -0.850 41.178 42.059 -0.051 0.000 0.892 271 L HN 0.543 nan 8.230 nan 0.000 0.431 272 T N -4.806 109.527 114.554 -0.369 0.000 3.054 272 T HA -0.005 4.345 4.350 -0.000 0.000 0.259 272 T C 1.663 176.177 174.700 -0.310 0.000 1.092 272 T CA 0.598 62.468 62.100 -0.383 0.000 1.121 272 T CB 0.014 68.520 68.868 -0.603 0.000 0.912 272 T HN 0.345 nan 8.240 nan 0.000 0.489 273 Q N -0.519 119.060 119.800 -0.368 0.000 2.511 273 Q HA 0.287 4.627 4.340 -0.000 0.000 0.236 273 Q C 1.275 176.901 176.000 -0.622 0.000 0.893 273 Q CA 0.799 56.264 55.803 -0.564 0.000 0.947 273 Q CB 0.067 28.230 28.738 -0.959 0.000 1.110 273 Q HN 0.682 nan 8.270 nan 0.000 0.591 274 Y N 0.005 120.256 120.300 -0.082 0.000 2.524 274 Y HA 0.277 4.827 4.550 -0.000 0.000 0.270 274 Y C 0.924 176.789 175.900 -0.060 0.000 1.094 274 Y CA -0.281 57.776 58.100 -0.070 0.000 1.276 274 Y CB 0.455 38.866 38.460 -0.080 0.000 1.130 274 Y HN -0.124 nan 8.280 nan 0.000 0.536 275 L N 1.623 122.885 121.223 0.065 0.000 2.397 275 L HA 0.266 4.606 4.340 -0.000 0.000 0.271 275 L C 0.715 177.597 176.870 0.020 0.000 1.148 275 L CA -0.215 54.650 54.840 0.042 0.000 0.825 275 L CB 0.766 42.850 42.059 0.041 0.000 1.117 275 L HN 0.166 nan 8.230 nan 0.000 0.456 276 T N -1.063 113.508 114.554 0.029 0.000 2.927 276 T HA 0.437 4.787 4.350 -0.000 0.000 0.286 276 T C -2.172 172.547 174.700 0.032 0.000 1.040 276 T CA -1.963 60.150 62.100 0.021 0.000 1.010 276 T CB 1.927 70.806 68.868 0.019 0.000 1.177 276 T HN 0.242 nan 8.240 nan 0.000 0.546 277 P HA 0.074 nan 4.420 nan 0.000 0.222 277 P C 0.958 178.287 177.300 0.049 0.000 1.147 277 P CA 0.917 64.040 63.100 0.038 0.000 0.790 277 P CB 0.042 31.758 31.700 0.026 0.000 0.780 278 T N -1.569 113.010 114.554 0.041 0.000 3.129 278 T HA 0.171 4.521 4.350 -0.000 0.000 0.267 278 T C 0.535 175.265 174.700 0.049 0.000 1.018 278 T CA -0.065 62.060 62.100 0.042 0.000 0.903 278 T CB -0.300 68.584 68.868 0.027 0.000 1.067 278 T HN -0.027 nan 8.240 nan 0.000 0.549 279 S N 3.574 119.310 115.700 0.060 0.000 2.558 279 S HA 0.106 4.576 4.470 -0.000 0.000 0.291 279 S C 0.558 175.222 174.600 0.106 0.000 1.306 279 S CA -0.215 58.027 58.200 0.070 0.000 1.056 279 S CB 0.182 63.425 63.200 0.072 0.000 0.836 279 S HN 0.750 nan 8.310 nan 0.000 0.504 280 N N 0.399 119.166 118.700 0.111 0.000 2.619 280 N HA 0.367 5.107 4.740 -0.000 0.000 0.294 280 N C -0.036 175.641 175.510 0.279 0.000 1.279 280 N CA -0.886 52.266 53.050 0.171 0.000 0.867 280 N CB 0.253 38.786 38.487 0.078 0.000 1.329 280 N HN 0.270 nan 8.380 nan 0.000 0.557 281 F N 0.519 120.493 119.950 0.041 0.000 2.161 281 F HA -0.157 4.370 4.527 -0.000 0.000 0.300 281 F C 2.991 178.736 175.800 -0.091 0.000 1.089 281 F CA 1.133 59.148 58.000 0.026 0.000 1.282 281 F CB -1.138 37.891 39.000 0.048 0.000 1.010 281 F HN 0.653 nan 8.300 nan 0.000 0.485 282 S N -0.624 115.119 115.700 0.072 0.000 2.428 282 S HA -0.170 4.300 4.470 -0.000 0.000 0.230 282 S C 1.829 176.369 174.600 -0.100 0.000 1.014 282 S CA 1.009 59.169 58.200 -0.066 0.000 0.957 282 S CB -0.228 62.922 63.200 -0.083 0.000 0.784 282 S HN 0.508 nan 8.310 nan 0.000 0.499 283 Q N -0.020 119.754 119.800 -0.043 0.000 2.187 283 Q HA 0.106 4.446 4.340 -0.000 0.000 0.199 283 Q C 2.095 178.028 176.000 -0.113 0.000 0.957 283 Q CA 1.090 56.852 55.803 -0.067 0.000 0.857 283 Q CB -0.250 28.478 28.738 -0.017 0.000 0.929 283 Q HN 0.538 nan 8.270 nan 0.000 0.453 284 L N 0.978 122.147 121.223 -0.090 0.000 2.083 284 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 284 L C 2.312 178.933 176.870 -0.416 0.000 1.083 284 L CA 1.730 56.482 54.840 -0.146 0.000 0.752 284 L CB -0.351 41.701 42.059 -0.011 0.000 0.899 284 L HN 0.054 nan 8.230 nan 0.000 0.433 285 R N -0.274 119.841 120.500 -0.640 0.000 2.080 285 R HA -0.210 4.130 4.340 -0.000 0.000 0.236 285 R C 2.168 178.106 176.300 -0.602 0.000 1.137 285 R CA 1.746 57.203 56.100 -1.071 0.000 0.943 285 R CB -0.560 29.209 30.300 -0.886 0.000 0.846 285 R HN 0.506 nan 8.270 nan 0.000 0.431 286 A N 0.631 123.225 122.820 -0.377 0.000 1.908 286 A HA -0.120 4.199 4.320 -0.000 0.000 0.218 286 A C 2.382 179.777 177.584 -0.315 0.000 1.181 286 A CA 1.811 53.677 52.037 -0.285 0.000 0.627 286 A CB -0.811 18.064 19.000 -0.208 0.000 0.818 286 A HN 0.599 nan 8.150 nan 0.000 0.445 287 A N -0.206 122.438 122.820 -0.294 0.000 1.873 287 A HA 0.186 4.506 4.320 -0.000 0.000 0.215 287 A C 2.532 179.946 177.584 -0.284 0.000 1.186 287 A CA 2.109 53.982 52.037 -0.273 0.000 0.616 287 A CB -1.074 17.868 19.000 -0.098 0.000 0.823 287 A HN 1.041 nan 8.150 nan 0.000 0.442 288 A N -0.500 122.126 122.820 -0.323 0.000 1.858 288 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 288 A C 2.235 179.713 177.584 -0.177 0.000 1.190 288 A CA 1.848 53.708 52.037 -0.295 0.000 0.617 288 A CB -1.124 17.663 19.000 -0.355 0.000 0.827 288 A HN 0.415 nan 8.150 nan 0.000 0.443 289 V N 0.026 119.819 119.914 -0.200 0.000 2.282 289 V HA -0.332 3.788 4.120 -0.000 0.000 0.249 289 V C 2.799 178.809 176.094 -0.140 0.000 1.057 289 V CA 2.553 64.774 62.300 -0.132 0.000 1.032 289 V CB -0.814 30.918 31.823 -0.152 0.000 0.645 289 V HN 0.734 nan 8.190 nan 0.000 0.447 290 Q N 0.301 119.950 119.800 -0.252 0.000 2.084 290 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 290 Q C 2.309 178.177 176.000 -0.219 0.000 0.978 290 Q CA 2.325 57.930 55.803 -0.331 0.000 0.844 290 Q CB -0.459 27.886 28.738 -0.656 0.000 0.898 290 Q HN 0.643 nan 8.270 nan 0.000 0.426 291 S N 0.066 115.689 115.700 -0.129 0.000 2.368 291 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 291 S C 1.924 176.550 174.600 0.044 0.000 1.030 291 S CA 0.941 59.181 58.200 0.067 0.000 0.999 291 S CB -0.573 62.690 63.200 0.105 0.000 0.844 291 S HN 0.593 nan 8.310 nan 0.000 0.459 292 A N 1.416 124.274 122.820 0.062 0.000 1.902 292 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 292 A C 2.334 179.995 177.584 0.130 0.000 1.181 292 A CA 1.983 54.130 52.037 0.183 0.000 0.623 292 A CB -1.354 17.764 19.000 0.196 0.000 0.818 292 A HN 0.457 nan 8.150 nan 0.000 0.443 293 T N 0.339 114.916 114.554 0.038 0.000 2.720 293 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 293 T C 1.490 176.185 174.700 -0.009 0.000 1.037 293 T CA 1.651 63.759 62.100 0.014 0.000 1.144 293 T CB -0.432 68.419 68.868 -0.028 0.000 0.864 293 T HN 0.467 nan 8.240 nan 0.000 0.444 294 D N 0.891 121.276 120.400 -0.025 0.000 2.144 294 D HA 0.006 4.646 4.640 -0.000 0.000 0.199 294 D C 2.061 178.297 176.300 -0.107 0.000 0.984 294 D CA 0.816 54.799 54.000 -0.029 0.000 0.834 294 D CB -0.237 40.582 40.800 0.031 0.000 0.955 294 D HN 0.340 nan 8.370 nan 0.000 0.465 295 L N -1.400 119.683 121.223 -0.234 0.000 2.168 295 L HA -0.024 4.316 4.340 -0.000 0.000 0.203 295 L C 1.589 178.039 176.870 -0.700 0.000 1.078 295 L CA 0.754 55.253 54.840 -0.568 0.000 0.780 295 L CB -0.125 41.346 42.059 -0.980 0.000 0.939 295 L HN 0.052 nan 8.230 nan 0.000 0.451 296 Y N -0.626 119.694 120.300 0.033 0.000 2.426 296 Y HA 0.481 5.031 4.550 -0.000 0.000 0.249 296 Y C 1.080 176.989 175.900 0.016 0.000 1.103 296 Y CA -0.029 58.086 58.100 0.024 0.000 1.256 296 Y CB 0.797 39.273 38.460 0.026 0.000 1.208 296 Y HN 0.100 nan 8.280 nan 0.000 0.519 297 G N 0.670 109.532 108.800 0.103 0.000 2.712 297 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.686 297 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.686 297 G C 0.594 175.532 174.900 0.063 0.000 1.181 297 G CA -0.196 44.943 45.100 0.065 0.000 0.762 297 G HN 0.360 nan 8.290 nan 0.000 0.641 298 S N -0.806 114.914 115.700 0.033 0.000 2.442 298 S HA -0.086 4.384 4.470 -0.000 0.000 0.236 298 S C 2.008 176.622 174.600 0.024 0.000 1.007 298 S CA 2.357 60.570 58.200 0.021 0.000 0.965 298 S CB -0.249 62.953 63.200 0.003 0.000 0.773 298 S HN 2.260 nan 8.310 nan 0.000 0.504 299 T N 0.197 114.768 114.554 0.029 0.000 3.186 299 T HA 0.358 4.707 4.350 -0.000 0.000 0.257 299 T C 0.556 175.274 174.700 0.030 0.000 1.029 299 T CA -0.062 62.052 62.100 0.024 0.000 0.916 299 T CB -0.333 68.545 68.868 0.017 0.000 1.041 299 T HN 0.487 nan 8.240 nan 0.000 0.562 300 S N 0.556 116.285 115.700 0.047 0.000 2.614 300 S HA 0.260 4.730 4.470 -0.000 0.000 0.265 300 S C 1.238 175.848 174.600 0.017 0.000 1.303 300 S CA -0.565 57.663 58.200 0.047 0.000 1.000 300 S CB 1.529 64.792 63.200 0.104 0.000 0.935 300 S HN 0.241 nan 8.310 nan 0.000 0.551 301 Q N 0.632 120.424 119.800 -0.013 0.000 2.123 301 Q HA -0.068 4.272 4.340 -0.000 0.000 0.199 301 Q C 1.608 177.581 176.000 -0.045 0.000 0.966 301 Q CA 1.884 57.667 55.803 -0.032 0.000 0.845 301 Q CB -0.574 28.133 28.738 -0.051 0.000 0.907 301 Q HN 0.849 nan 8.270 nan 0.000 0.439 302 E N -0.516 119.632 120.200 -0.087 0.000 2.049 302 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 302 E C 1.975 178.587 176.600 0.020 0.000 1.007 302 E CA 1.740 58.082 56.400 -0.097 0.000 0.809 302 E CB -0.514 29.016 29.700 -0.284 0.000 0.749 302 E HN 0.199 nan 8.360 nan 0.000 0.450 303 V N 0.805 120.755 119.914 0.059 0.000 2.343 303 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 303 V C 2.167 178.286 176.094 0.041 0.000 1.051 303 V CA 1.818 64.154 62.300 0.061 0.000 1.036 303 V CB -0.846 31.011 31.823 0.057 0.000 0.654 303 V HN 0.384 nan 8.190 nan 0.000 0.451 304 A N -0.598 122.238 122.820 0.026 0.000 1.877 304 A HA -0.224 4.095 4.320 -0.000 0.000 0.216 304 A C 2.498 180.098 177.584 0.026 0.000 1.186 304 A CA 2.342 54.391 52.037 0.020 0.000 0.620 304 A CB -0.788 18.217 19.000 0.008 0.000 0.822 304 A HN 0.499 nan 8.150 nan 0.000 0.443 305 S N -0.522 115.186 115.700 0.014 0.000 2.382 305 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 305 S C 1.882 176.513 174.600 0.051 0.000 1.027 305 S CA 1.409 59.615 58.200 0.010 0.000 0.991 305 S CB -0.438 62.747 63.200 -0.024 0.000 0.823 305 S HN 0.348 nan 8.310 nan 0.000 0.469 306 V N 1.745 121.717 119.914 0.095 0.000 2.343 306 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 306 V C 2.216 178.475 176.094 0.274 0.000 1.051 306 V CA 1.646 64.066 62.300 0.200 0.000 1.036 306 V CB -0.547 31.389 31.823 0.188 0.000 0.654 306 V HN 0.418 nan 8.190 nan 0.000 0.451 307 K N -0.302 120.191 120.400 0.154 0.000 2.026 307 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 307 K C 2.325 179.009 176.600 0.140 0.000 1.048 307 K CA 1.663 58.030 56.287 0.133 0.000 0.929 307 K CB -0.242 32.294 32.500 0.060 0.000 0.713 307 K HN 0.474 nan 8.250 nan 0.000 0.439 308 Q N 0.264 120.120 119.800 0.093 0.000 2.050 308 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 308 Q C 2.181 178.224 176.000 0.072 0.000 0.980 308 Q CA 1.806 57.651 55.803 0.071 0.000 0.840 308 Q CB -0.268 28.493 28.738 0.039 0.000 0.898 308 Q HN 0.373 nan 8.270 nan 0.000 0.424 309 A N 0.421 123.267 122.820 0.043 0.000 1.859 309 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 309 A C 1.867 179.397 177.584 -0.090 0.000 1.198 309 A CA 1.755 53.759 52.037 -0.054 0.000 0.629 309 A CB -1.117 17.799 19.000 -0.140 0.000 0.830 309 A HN 0.391 nan 8.150 nan 0.000 0.446 310 F N 0.360 120.323 119.950 0.022 0.000 2.216 310 F HA -0.166 4.361 4.527 -0.000 0.000 0.300 310 F C 2.142 177.943 175.800 0.002 0.000 1.085 310 F CA 1.683 59.684 58.000 0.001 0.000 1.326 310 F CB -0.314 38.673 39.000 -0.022 0.000 1.027 310 F HN 0.216 nan 8.300 nan 0.000 0.497 311 D N -0.017 120.488 120.400 0.176 0.000 2.144 311 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 311 D C 2.370 178.746 176.300 0.128 0.000 0.978 311 D CA 1.301 55.374 54.000 0.122 0.000 0.833 311 D CB -0.581 40.279 40.800 0.101 0.000 0.961 311 D HN 0.214 nan 8.370 nan 0.000 0.470 312 A N 0.336 123.238 122.820 0.137 0.000 1.978 312 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 312 A C 2.207 179.971 177.584 0.299 0.000 1.170 312 A CA 1.027 53.197 52.037 0.222 0.000 0.636 312 A CB -0.391 18.749 19.000 0.232 0.000 0.810 312 A HN 0.188 nan 8.150 nan 0.000 0.448 313 V N -0.894 119.102 119.914 0.136 0.000 3.596 313 V HA 0.334 4.454 4.120 -0.000 0.000 0.289 313 V C 1.557 177.391 176.094 -0.434 0.000 1.336 313 V CA 0.911 63.207 62.300 -0.007 0.000 1.137 313 V CB -0.584 31.244 31.823 0.009 0.000 0.966 313 V HN 1.088 nan 8.190 nan 0.000 0.428 314 G N 0.500 109.115 108.800 -0.308 0.000 2.143 314 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.248 314 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.248 314 G C 0.241 175.060 174.900 -0.135 0.000 0.991 314 G CA 0.280 45.213 45.100 -0.277 0.000 0.689 314 G HN 0.468 nan 8.290 nan 0.000 0.522 315 V N 0.995 120.866 119.914 -0.071 0.000 2.299 315 V HA 0.542 4.662 4.120 -0.000 0.000 0.255 315 V C 0.782 176.847 176.094 -0.048 0.000 1.100 315 V CA 0.692 62.937 62.300 -0.091 0.000 0.938 315 V CB -0.005 31.905 31.823 0.144 0.000 1.139 315 V HN 0.726 nan 8.190 nan 0.000 0.490 316 K N 0.000 120.325 120.400 -0.125 0.000 2.780 316 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 316 K CA 0.000 56.242 56.287 -0.075 0.000 0.838 316 K CB 0.000 32.451 32.500 -0.081 0.000 1.064 316 K HN 0.000 nan 8.250 nan 0.000 0.543