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 2ahw_1_D DATA FIRST_RESID 4 DATA SEQUENCE VKPPRINGRV PVLSAQEAVN YIPDEATLCV LGAGGGILEA TTLITALADK DATA SEQUENCE YKQTQTPRNL SIISPTGLGD RADRGISPLA QEGLVKWALC GHWGQSPRIS DATA SEQUENCE DLAEQNKIIA YNYPQGVLTQ TLRAAAAHQP GIISDIGIGT FVDPRQQGGK DATA SEQUENCE LNEVTKEDLI KLVEFDNKEY LYYKAIAPDI AFIRATTCDS EGYATFEDEV DATA SEQUENCE MYLDALVIAQ AVHNNGGIVM MQVQKMVKKA TLHPKSVRIP GYLVDIVVVD DATA SEQUENCE PDQSQLYGGA PVNRFISGDF TLDXXXXXXX PLNQRKLVAR RALFEMRKGA DATA SEQUENCE VGNVGVGIAD GIGLVAREEG CADDFILTVE TGPIGGITXX XXXXXANVNT DATA SEQUENCE RAILDMTSQF DFYHGGGLDV CYLSFAEVDQ HGNVGVHKFN GKIMGTGGFI DATA SEQUENCE DISATSKKII FCGTLTXXXX XXXXXXXKLN IVQEGXXXXF IXELPEITFS DATA SEQUENCE GKIALERGLD VRYITERAVF TLKEDXLHLI EIAPGVDLXX XXXXXXDFTP DATA SEQUENCE VISPELKLMD ERLFIDAAMG FVLPEA 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.198 176.094 0.174 0.000 1.182 4 V CA 0.000 62.376 62.300 0.126 0.000 1.235 4 V CB 0.000 31.909 31.823 0.143 0.000 1.184 5 K N 3.850 124.299 120.400 0.082 0.000 2.426 5 K HA 0.889 5.209 4.320 -0.001 0.000 0.251 5 K C -3.016 173.544 176.600 -0.067 0.000 0.941 5 K CA -1.714 54.532 56.287 -0.067 0.000 0.808 5 K CB 2.605 35.054 32.500 -0.085 0.000 1.265 5 K HN 0.543 nan 8.250 nan 0.000 0.432 6 P HA 0.155 nan 4.420 nan 0.000 0.271 6 P C -2.386 174.890 177.300 -0.039 0.000 1.216 6 P CA -0.843 62.213 63.100 -0.074 0.000 0.776 6 P CB -0.103 31.510 31.700 -0.145 0.000 0.881 7 P HA 0.220 nan 4.420 nan 0.000 0.274 7 P C -0.306 176.999 177.300 0.009 0.000 1.231 7 P CA -0.283 62.823 63.100 0.011 0.000 0.790 7 P CB 0.938 32.652 31.700 0.023 0.000 0.951 8 R N 2.217 122.726 120.500 0.015 0.000 2.272 8 R HA 0.269 4.608 4.340 -0.001 0.000 0.334 8 R C 0.101 176.414 176.300 0.023 0.000 1.117 8 R CA -0.661 55.450 56.100 0.020 0.000 0.966 8 R CB -0.043 30.275 30.300 0.031 0.000 1.049 8 R HN 0.409 nan 8.270 nan 0.000 0.477 9 I N 4.078 124.660 120.570 0.021 0.000 2.517 9 I HA -0.081 4.089 4.170 -0.001 0.000 0.285 9 I C 0.605 176.736 176.117 0.022 0.000 1.106 9 I CA 0.019 61.331 61.300 0.021 0.000 1.402 9 I CB -0.139 37.873 38.000 0.020 0.000 1.399 9 I HN 0.706 nan 8.210 nan 0.000 0.535 10 N N 5.239 123.952 118.700 0.022 0.000 2.708 10 N HA -0.222 4.518 4.740 -0.001 0.000 0.249 10 N C 1.151 176.679 175.510 0.029 0.000 1.097 10 N CA 1.071 54.135 53.050 0.022 0.000 0.710 10 N CB -1.184 37.314 38.487 0.019 0.000 1.032 10 N HN 1.097 nan 8.380 nan 0.000 0.551 11 G N -0.782 108.039 108.800 0.035 0.000 2.184 11 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.264 11 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.264 11 G C 0.199 175.131 174.900 0.053 0.000 0.975 11 G CA 0.739 45.868 45.100 0.048 0.000 0.642 11 G HN 0.576 nan 8.290 nan 0.000 0.536 12 R N -0.027 120.497 120.500 0.039 0.000 2.438 12 R HA 0.462 4.802 4.340 -0.001 0.000 0.287 12 R C 0.555 176.873 176.300 0.029 0.000 1.077 12 R CA -0.266 55.856 56.100 0.036 0.000 1.034 12 R CB 1.827 32.142 30.300 0.026 0.000 0.993 12 R HN 0.207 nan 8.270 nan 0.000 0.459 13 V N 5.493 125.424 119.914 0.027 0.000 2.585 13 V HA 0.082 4.202 4.120 -0.001 0.000 0.296 13 V C -1.992 174.102 176.094 -0.000 0.000 1.035 13 V CA -1.644 60.661 62.300 0.009 0.000 1.084 13 V CB 0.789 32.612 31.823 -0.001 0.000 0.953 13 V HN 0.624 nan 8.190 nan 0.000 0.483 14 P HA 0.063 nan 4.420 nan 0.000 0.260 14 P C -0.940 176.351 177.300 -0.016 0.000 1.185 14 P CA 0.305 63.395 63.100 -0.017 0.000 0.763 14 P CB 0.315 31.987 31.700 -0.048 0.000 0.776 15 V N 6.151 126.062 119.914 -0.004 0.000 2.370 15 V HA 0.354 4.474 4.120 -0.001 0.000 0.279 15 V C 0.428 176.527 176.094 0.007 0.000 1.029 15 V CA -0.116 62.182 62.300 -0.003 0.000 0.870 15 V CB 0.614 32.436 31.823 -0.001 0.000 0.984 15 V HN 0.392 nan 8.190 nan 0.000 0.451 16 L N 3.380 124.608 121.223 0.008 0.000 2.303 16 L HA 0.648 4.988 4.340 -0.001 0.000 0.256 16 L C 0.420 177.299 176.870 0.015 0.000 1.034 16 L CA -0.662 54.194 54.840 0.026 0.000 0.832 16 L CB 2.598 44.691 42.059 0.057 0.000 1.403 16 L HN 0.686 nan 8.230 nan 0.000 0.419 17 S N 0.000 115.713 115.700 0.022 0.000 2.614 17 S HA 0.365 4.835 4.470 -0.001 0.000 0.265 17 S C 1.015 175.619 174.600 0.006 0.000 1.303 17 S CA 0.009 58.215 58.200 0.009 0.000 1.000 17 S CB 1.544 64.751 63.200 0.012 0.000 0.935 17 S HN 0.729 nan 8.310 nan 0.000 0.551 18 A N 1.299 124.108 122.820 -0.017 0.000 1.940 18 A HA -0.123 4.196 4.320 -0.001 0.000 0.219 18 A C 2.231 179.813 177.584 -0.004 0.000 1.176 18 A CA 1.892 53.904 52.037 -0.041 0.000 0.631 18 A CB -1.220 17.737 19.000 -0.072 0.000 0.814 18 A HN 0.850 nan 8.150 nan 0.000 0.446 19 Q N -0.018 119.788 119.800 0.010 0.000 2.030 19 Q HA -0.189 4.150 4.340 -0.001 0.000 0.204 19 Q C 1.927 177.956 176.000 0.049 0.000 0.986 19 Q CA 2.145 57.965 55.803 0.027 0.000 0.843 19 Q CB -0.390 28.359 28.738 0.019 0.000 0.904 19 Q HN 0.811 nan 8.270 nan 0.000 0.420 20 E N 0.011 120.246 120.200 0.059 0.000 2.077 20 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 20 E C 1.924 178.641 176.600 0.194 0.000 0.989 20 E CA 0.924 57.384 56.400 0.099 0.000 0.800 20 E CB -0.222 29.541 29.700 0.106 0.000 0.746 20 E HN 0.398 nan 8.360 nan 0.000 0.452 21 A N 1.120 124.040 122.820 0.166 0.000 1.858 21 A HA -0.180 4.140 4.320 -0.001 0.000 0.216 21 A C 2.540 180.288 177.584 0.273 0.000 1.190 21 A CA 1.850 54.013 52.037 0.210 0.000 0.617 21 A CB -0.999 18.048 19.000 0.077 0.000 0.827 21 A HN 0.257 nan 8.150 nan 0.000 0.443 22 V N -2.006 118.018 119.914 0.183 0.000 2.913 22 V HA -0.127 3.993 4.120 -0.001 0.000 0.260 22 V C 1.501 177.699 176.094 0.172 0.000 1.098 22 V CA 2.067 64.495 62.300 0.213 0.000 1.121 22 V CB -1.163 30.772 31.823 0.187 0.000 0.714 22 V HN 0.417 nan 8.190 nan 0.000 0.487 23 N N 0.071 118.838 118.700 0.112 0.000 2.519 23 N HA -0.069 4.671 4.740 -0.001 0.000 0.186 23 N C 1.243 176.697 175.510 -0.092 0.000 1.062 23 N CA 1.321 54.365 53.050 -0.010 0.000 0.910 23 N CB -0.489 37.938 38.487 -0.100 0.000 0.958 23 N HN 0.735 nan 8.380 nan 0.000 0.445 24 Y N 0.209 120.548 120.300 0.065 0.000 2.511 24 Y HA 0.266 4.816 4.550 -0.001 0.000 0.279 24 Y C 0.636 176.570 175.900 0.057 0.000 1.157 24 Y CA -0.208 57.926 58.100 0.056 0.000 1.300 24 Y CB 0.232 38.727 38.460 0.057 0.000 1.052 24 Y HN -0.080 nan 8.280 nan 0.000 0.529 25 I N 3.706 124.389 120.570 0.189 0.000 2.452 25 I HA 0.127 4.296 4.170 -0.001 0.000 0.287 25 I C -2.155 174.009 176.117 0.078 0.000 1.079 25 I CA -1.903 59.472 61.300 0.125 0.000 1.387 25 I CB 0.531 38.606 38.000 0.124 0.000 1.404 25 I HN -0.084 nan 8.210 nan 0.000 0.522 26 P HA 0.251 nan 4.420 nan 0.000 0.280 26 P C -1.053 176.265 177.300 0.030 0.000 1.272 26 P CA -0.708 62.414 63.100 0.037 0.000 0.819 26 P CB 0.562 32.280 31.700 0.030 0.000 1.122 27 D N 0.667 121.085 120.400 0.029 0.000 2.571 27 D HA -0.054 4.586 4.640 -0.001 0.000 0.231 27 D C 0.745 177.049 176.300 0.007 0.000 1.133 27 D CA 0.952 54.968 54.000 0.027 0.000 0.862 27 D CB -0.123 40.695 40.800 0.029 0.000 1.179 27 D HN 0.488 nan 8.370 nan 0.000 0.474 28 E N -1.375 118.825 120.200 0.001 0.000 3.673 28 E HA -0.271 4.079 4.350 -0.001 0.000 0.309 28 E C -0.113 176.457 176.600 -0.050 0.000 0.819 28 E CA 0.682 57.067 56.400 -0.024 0.000 1.111 28 E CB -1.005 28.678 29.700 -0.028 0.000 1.561 28 E HN 0.596 nan 8.360 nan 0.000 0.450 29 A N 0.671 123.469 122.820 -0.036 0.000 2.507 29 A HA 0.242 4.562 4.320 -0.001 0.000 0.235 29 A C 0.508 178.045 177.584 -0.079 0.000 1.070 29 A CA 0.813 52.820 52.037 -0.051 0.000 0.768 29 A CB 0.406 19.387 19.000 -0.030 0.000 1.011 29 A HN 0.102 nan 8.150 nan 0.000 0.502 30 T N 2.337 116.832 114.554 -0.099 0.000 2.743 30 T HA 0.429 4.779 4.350 -0.001 0.000 0.292 30 T C -0.470 174.172 174.700 -0.097 0.000 0.972 30 T CA -0.037 61.997 62.100 -0.109 0.000 0.967 30 T CB 0.306 69.080 68.868 -0.156 0.000 0.926 30 T HN 0.518 nan 8.240 nan 0.000 0.459 31 L N 4.569 125.729 121.223 -0.106 0.000 2.272 31 L HA 0.603 4.943 4.340 -0.001 0.000 0.289 31 L C -0.514 176.262 176.870 -0.158 0.000 1.032 31 L CA -0.645 54.077 54.840 -0.196 0.000 0.810 31 L CB 0.724 42.603 42.059 -0.300 0.000 1.205 31 L HN 0.742 nan 8.230 nan 0.000 0.422 32 C N 5.766 124.975 119.300 -0.152 0.000 2.295 32 C HA 0.740 5.200 4.460 -0.001 0.000 0.331 32 C C -0.290 174.655 174.990 -0.075 0.000 1.280 32 C CA -0.527 58.445 59.018 -0.077 0.000 1.746 32 C CB 0.401 28.126 27.740 -0.025 0.000 2.328 32 C HN 0.639 nan 8.230 nan 0.000 0.521 33 V N 7.840 127.737 119.914 -0.028 0.000 2.334 33 V HA 0.314 4.434 4.120 -0.001 0.000 0.281 33 V C 0.056 176.195 176.094 0.076 0.000 1.016 33 V CA -0.517 61.812 62.300 0.048 0.000 0.832 33 V CB 1.123 32.980 31.823 0.057 0.000 0.999 33 V HN 0.805 nan 8.190 nan 0.000 0.439 34 L N 5.084 126.375 121.223 0.114 0.000 2.426 34 L HA 0.821 5.160 4.340 -0.001 0.000 0.271 34 L C 0.499 177.426 176.870 0.095 0.000 1.169 34 L CA 1.384 56.287 54.840 0.105 0.000 0.836 34 L CB 0.692 42.828 42.059 0.128 0.000 1.112 34 L HN 0.932 nan 8.230 nan 0.000 0.465 35 G N 2.601 111.447 108.800 0.075 0.000 2.337 35 G HA2 0.555 4.514 3.960 -0.001 0.000 0.310 35 G HA3 0.555 4.514 3.960 -0.001 0.000 0.310 35 G C -1.716 173.204 174.900 0.033 0.000 1.534 35 G CA -0.267 44.864 45.100 0.050 0.000 0.982 35 G HN 1.047 nan 8.290 nan 0.000 0.672 36 A N -0.584 122.237 122.820 0.001 0.000 2.578 36 A HA 1.030 5.349 4.320 -0.001 0.000 0.255 36 A C 0.891 178.440 177.584 -0.059 0.000 1.251 36 A CA 0.229 52.260 52.037 -0.010 0.000 0.882 36 A CB 0.677 19.677 19.000 -0.001 0.000 1.416 36 A HN 2.368 nan 8.150 nan 0.000 0.462 37 G N -1.751 107.013 108.800 -0.061 0.000 2.544 37 G HA2 0.504 4.463 3.960 -0.001 0.000 0.242 37 G HA3 0.504 4.463 3.960 -0.001 0.000 0.242 37 G C 1.077 175.871 174.900 -0.178 0.000 1.247 37 G CA 0.590 45.644 45.100 -0.077 0.000 0.840 37 G HN 2.307 nan 8.290 nan 0.000 0.578 38 G N -0.689 107.963 108.800 -0.246 0.000 2.198 38 G HA2 0.200 4.160 3.960 -0.001 0.000 0.260 38 G HA3 0.200 4.160 3.960 -0.001 0.000 0.260 38 G C 1.409 175.732 174.900 -0.962 0.000 1.025 38 G CA 1.021 45.878 45.100 -0.405 0.000 0.769 38 G HN 2.599 nan 8.290 nan 0.000 0.507 39 G N -1.348 106.602 108.800 -1.417 0.000 2.176 39 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.253 39 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.253 39 G C 0.545 175.241 174.900 -0.340 0.000 0.979 39 G CA 0.260 44.774 45.100 -0.977 0.000 0.641 39 G HN 1.440 nan 8.290 nan 0.000 0.530 40 I N 1.269 121.690 120.570 -0.247 0.000 2.742 40 I HA 0.080 4.250 4.170 -0.001 0.000 0.287 40 I C 1.884 177.971 176.117 -0.051 0.000 1.186 40 I CA 0.448 61.683 61.300 -0.108 0.000 1.417 40 I CB 0.374 38.329 38.000 -0.074 0.000 1.377 40 I HN 0.280 nan 8.210 nan 0.000 0.556 41 L N 4.531 125.747 121.223 -0.012 0.000 3.858 41 L HA -0.248 4.092 4.340 -0.001 0.000 0.425 41 L C 0.637 177.528 176.870 0.034 0.000 1.177 41 L CA 0.568 55.430 54.840 0.037 0.000 0.943 41 L CB -1.026 41.097 42.059 0.106 0.000 1.861 41 L HN 0.719 nan 8.230 nan 0.000 0.985 42 E N 0.573 120.777 120.200 0.006 0.000 2.146 42 E HA 0.440 4.790 4.350 -0.001 0.000 0.282 42 E C 0.599 177.222 176.600 0.039 0.000 0.989 42 E CA 0.191 56.613 56.400 0.037 0.000 0.799 42 E CB 1.256 30.976 29.700 0.032 0.000 1.088 42 E HN 0.288 nan 8.360 nan 0.000 0.397 43 A N 4.515 127.361 122.820 0.043 0.000 3.052 43 A HA 0.045 4.365 4.320 -0.001 0.000 0.266 43 A C 1.185 178.748 177.584 -0.034 0.000 1.855 43 A CA -0.026 52.002 52.037 -0.015 0.000 1.473 43 A CB -0.645 18.328 19.000 -0.047 0.000 1.038 43 A HN 0.788 nan 8.150 nan 0.000 0.619 44 T N 0.587 115.151 114.554 0.017 0.000 2.699 44 T HA -0.222 4.128 4.350 -0.001 0.000 0.268 44 T C 2.314 176.996 174.700 -0.030 0.000 1.036 44 T CA 2.370 64.491 62.100 0.036 0.000 1.147 44 T CB -0.472 68.450 68.868 0.090 0.000 0.862 44 T HN 0.914 nan 8.240 nan 0.000 0.446 45 T N 1.088 115.604 114.554 -0.063 0.000 2.803 45 T HA -0.002 4.348 4.350 -0.001 0.000 0.269 45 T C 1.990 176.596 174.700 -0.157 0.000 1.052 45 T CA 0.858 62.907 62.100 -0.085 0.000 1.136 45 T CB -0.658 68.165 68.868 -0.075 0.000 0.864 45 T HN 0.305 nan 8.240 nan 0.000 0.467 46 L N -0.030 121.012 121.223 -0.302 0.000 2.044 46 L HA 0.128 4.468 4.340 -0.001 0.000 0.205 46 L C 2.826 179.418 176.870 -0.463 0.000 1.075 46 L CA 1.097 55.554 54.840 -0.639 0.000 0.747 46 L CB -0.486 40.764 42.059 -1.347 0.000 0.903 46 L HN 0.221 nan 8.230 nan 0.000 0.435 47 I N -0.388 120.058 120.570 -0.206 0.000 2.118 47 I HA -0.340 3.830 4.170 -0.001 0.000 0.241 47 I C 2.553 178.713 176.117 0.071 0.000 1.070 47 I CA 1.761 63.126 61.300 0.108 0.000 1.327 47 I CB -0.667 37.420 38.000 0.145 0.000 1.034 47 I HN 0.267 nan 8.210 nan 0.000 0.405 48 T N 0.747 115.311 114.554 0.017 0.000 2.665 48 T HA -0.253 4.097 4.350 -0.001 0.000 0.268 48 T C 1.987 176.701 174.700 0.024 0.000 1.035 48 T CA 1.789 63.900 62.100 0.018 0.000 1.151 48 T CB -0.402 68.464 68.868 -0.003 0.000 0.862 48 T HN 0.529 nan 8.240 nan 0.000 0.438 49 A N 0.674 123.493 122.820 -0.001 0.000 1.969 49 A HA 0.039 4.359 4.320 -0.001 0.000 0.218 49 A C 2.205 179.829 177.584 0.066 0.000 1.169 49 A CA 1.074 53.121 52.037 0.017 0.000 0.635 49 A CB -0.606 18.386 19.000 -0.013 0.000 0.810 49 A HN 0.399 nan 8.150 nan 0.000 0.445 50 L N -0.317 120.969 121.223 0.104 0.000 2.044 50 L HA 0.061 4.401 4.340 -0.001 0.000 0.205 50 L C 2.681 179.644 176.870 0.154 0.000 1.075 50 L CA 2.074 57.016 54.840 0.171 0.000 0.747 50 L CB -1.039 41.189 42.059 0.282 0.000 0.903 50 L HN 0.318 nan 8.230 nan 0.000 0.435 51 A N -0.455 122.443 122.820 0.131 0.000 1.892 51 A HA -0.268 4.052 4.320 -0.001 0.000 0.218 51 A C 1.985 179.647 177.584 0.130 0.000 1.188 51 A CA 2.124 54.236 52.037 0.125 0.000 0.631 51 A CB -1.063 17.992 19.000 0.091 0.000 0.822 51 A HN 0.544 nan 8.150 nan 0.000 0.447 52 D N -0.652 119.803 120.400 0.091 0.000 2.149 52 D HA -0.161 4.479 4.640 -0.001 0.000 0.198 52 D C 1.870 178.216 176.300 0.077 0.000 0.990 52 D CA 1.621 55.663 54.000 0.070 0.000 0.839 52 D CB -0.252 40.574 40.800 0.044 0.000 0.948 52 D HN 0.628 nan 8.370 nan 0.000 0.460 53 K N -0.643 119.814 120.400 0.096 0.000 2.057 53 K HA -0.185 4.135 4.320 -0.001 0.000 0.206 53 K C 2.151 178.814 176.600 0.106 0.000 1.050 53 K CA 0.798 57.139 56.287 0.089 0.000 0.935 53 K CB -0.181 32.379 32.500 0.100 0.000 0.715 53 K HN 0.146 nan 8.250 nan 0.000 0.439 54 Y N 1.473 121.795 120.300 0.038 0.000 2.314 54 Y HA -0.123 4.427 4.550 -0.001 0.000 0.293 54 Y C 2.175 178.091 175.900 0.027 0.000 1.129 54 Y CA 1.590 59.711 58.100 0.034 0.000 1.201 54 Y CB 0.105 38.590 38.460 0.042 0.000 0.999 54 Y HN -0.021 nan 8.280 nan 0.000 0.541 55 K N -0.110 120.344 120.400 0.090 0.000 2.057 55 K HA -0.227 4.093 4.320 -0.001 0.000 0.207 55 K C 1.999 178.564 176.600 -0.058 0.000 1.049 55 K CA 2.034 58.330 56.287 0.016 0.000 0.931 55 K CB -0.065 32.470 32.500 0.058 0.000 0.714 55 K HN 0.440 nan 8.250 nan 0.000 0.440 56 Q N -1.185 118.592 119.800 -0.038 0.000 2.212 56 Q HA -0.052 4.288 4.340 -0.001 0.000 0.199 56 Q C 1.545 177.500 176.000 -0.075 0.000 0.950 56 Q CA 1.637 57.414 55.803 -0.044 0.000 0.863 56 Q CB 0.559 29.288 28.738 -0.016 0.000 0.944 56 Q HN 0.467 nan 8.270 nan 0.000 0.465 57 T N -4.716 109.776 114.554 -0.103 0.000 2.975 57 T HA 0.125 4.475 4.350 -0.001 0.000 0.261 57 T C 0.199 174.783 174.700 -0.193 0.000 0.984 57 T CA -0.152 61.884 62.100 -0.107 0.000 0.911 57 T CB 0.501 69.339 68.868 -0.049 0.000 1.127 57 T HN 0.005 nan 8.240 nan 0.000 0.514 58 Q N 1.828 121.381 119.800 -0.413 0.000 2.481 58 Q HA -0.136 4.204 4.340 -0.001 0.000 0.272 58 Q C -0.037 175.803 176.000 -0.268 0.000 1.157 58 Q CA 1.402 56.737 55.803 -0.779 0.000 0.935 58 Q CB -2.579 25.856 28.738 -0.505 0.000 1.338 58 Q HN 0.955 nan 8.270 nan 0.000 0.494 59 T N -3.643 110.899 114.554 -0.020 0.000 2.903 59 T HA 0.834 5.184 4.350 -0.001 0.000 0.299 59 T C -2.813 172.035 174.700 0.246 0.000 1.093 59 T CA -1.967 60.227 62.100 0.157 0.000 1.002 59 T CB 3.310 72.215 68.868 0.062 0.000 1.127 59 T HN -0.133 nan 8.240 nan 0.000 0.488 60 P HA 0.464 nan 4.420 nan 0.000 0.282 60 P C -0.907 176.508 177.300 0.192 0.000 1.287 60 P CA -0.830 62.365 63.100 0.159 0.000 0.792 60 P CB 0.975 32.735 31.700 0.100 0.000 1.163 61 R N 0.342 120.918 120.500 0.125 0.000 2.711 61 R HA 0.331 4.670 4.340 -0.001 0.000 0.284 61 R C -0.050 176.280 176.300 0.050 0.000 0.968 61 R CA -0.708 55.462 56.100 0.117 0.000 0.924 61 R CB 0.585 30.958 30.300 0.122 0.000 1.162 61 R HN 0.485 nan 8.270 nan 0.000 0.465 62 N N 1.032 119.749 118.700 0.028 0.000 2.740 62 N HA -0.180 4.559 4.740 -0.001 0.000 0.248 62 N C -0.321 175.201 175.510 0.019 0.000 1.062 62 N CA 0.711 53.777 53.050 0.027 0.000 0.704 62 N CB -1.337 37.174 38.487 0.040 0.000 0.968 62 N HN 0.519 nan 8.380 nan 0.000 0.547 63 L N -0.002 121.222 121.223 0.002 0.000 2.473 63 L HA 0.159 4.499 4.340 -0.001 0.000 0.268 63 L C 1.046 177.946 176.870 0.050 0.000 1.215 63 L CA 0.237 55.076 54.840 -0.000 0.000 0.823 63 L CB 0.453 42.498 42.059 -0.023 0.000 1.099 63 L HN 0.028 nan 8.230 nan 0.000 0.483 64 S N 1.974 117.697 115.700 0.039 0.000 2.509 64 S HA 0.609 5.079 4.470 -0.001 0.000 0.297 64 S C -0.396 174.305 174.600 0.168 0.000 1.118 64 S CA -0.562 57.746 58.200 0.180 0.000 1.074 64 S CB 1.570 64.722 63.200 -0.081 0.000 1.038 64 S HN 0.223 nan 8.310 nan 0.000 0.498 65 I N 3.073 123.809 120.570 0.278 0.000 2.404 65 I HA 0.473 4.643 4.170 -0.001 0.000 0.293 65 I C -0.440 175.776 176.117 0.165 0.000 0.992 65 I CA -0.712 60.658 61.300 0.116 0.000 1.149 65 I CB 1.336 39.345 38.000 0.015 0.000 1.315 65 I HN 0.562 nan 8.210 nan 0.000 0.446 66 I N 4.112 124.727 120.570 0.074 0.000 2.382 66 I HA 0.257 4.427 4.170 -0.001 0.000 0.286 66 I C 0.085 176.187 176.117 -0.026 0.000 1.002 66 I CA -0.342 60.985 61.300 0.046 0.000 1.135 66 I CB 1.878 39.919 38.000 0.069 0.000 1.288 66 I HN 0.477 nan 8.210 nan 0.000 0.448 67 S N 7.765 123.421 115.700 -0.073 0.000 2.622 67 S HA 0.408 4.878 4.470 -0.001 0.000 0.283 67 S C -1.813 172.758 174.600 -0.048 0.000 1.197 67 S CA -1.571 56.585 58.200 -0.074 0.000 1.146 67 S CB 0.934 64.051 63.200 -0.140 0.000 1.007 67 S HN 0.299 nan 8.310 nan 0.000 0.478 68 P HA -0.068 nan 4.420 nan 0.000 0.216 68 P C 0.671 178.000 177.300 0.048 0.000 1.154 68 P CA 1.260 64.374 63.100 0.023 0.000 0.865 68 P CB 0.198 31.924 31.700 0.045 0.000 0.789 69 T N -3.025 111.562 114.554 0.054 0.000 2.831 69 T HA 0.639 4.989 4.350 -0.001 0.000 0.287 69 T C -0.594 174.142 174.700 0.060 0.000 1.070 69 T CA -0.756 61.396 62.100 0.087 0.000 1.010 69 T CB 0.992 69.928 68.868 0.113 0.000 1.264 69 T HN -0.116 nan 8.240 nan 0.000 0.532 70 G N 2.026 110.877 108.800 0.085 0.000 2.365 70 G HA2 0.533 4.492 3.960 -0.001 0.000 0.293 70 G HA3 0.533 4.492 3.960 -0.001 0.000 0.293 70 G C -0.797 174.130 174.900 0.045 0.000 1.128 70 G CA -0.243 44.913 45.100 0.095 0.000 0.971 70 G HN 0.544 nan 8.290 nan 0.000 0.422 71 L N 2.246 123.498 121.223 0.048 0.000 2.334 71 L HA 0.794 5.133 4.340 -0.001 0.000 0.277 71 L C 0.970 177.905 176.870 0.107 0.000 1.075 71 L CA 1.230 56.104 54.840 0.057 0.000 0.804 71 L CB 1.376 43.477 42.059 0.069 0.000 1.174 71 L HN 0.992 nan 8.230 nan 0.000 0.438 72 G N 1.864 110.750 108.800 0.144 0.000 2.318 72 G HA2 0.007 3.967 3.960 -0.001 0.000 0.367 72 G HA3 0.007 3.967 3.960 -0.001 0.000 0.367 72 G C -0.911 174.181 174.900 0.320 0.000 1.260 72 G CA -0.017 45.264 45.100 0.301 0.000 1.055 72 G HN 0.702 nan 8.290 nan 0.000 0.484 73 D N -0.766 119.803 120.400 0.282 0.000 2.571 73 D HA 0.225 4.865 4.640 -0.001 0.000 0.239 73 D C 0.910 177.291 176.300 0.135 0.000 1.267 73 D CA -0.174 53.958 54.000 0.221 0.000 0.823 73 D CB -0.192 40.725 40.800 0.195 0.000 1.056 73 D HN 0.886 nan 8.370 nan 0.000 0.494 74 R N -0.671 119.909 120.500 0.133 0.000 3.525 74 R HA -0.117 4.223 4.340 -0.001 0.000 0.276 74 R C 0.219 176.572 176.300 0.089 0.000 1.116 74 R CA 0.850 57.022 56.100 0.119 0.000 0.745 74 R CB -2.256 28.115 30.300 0.119 0.000 1.185 74 R HN 0.484 nan 8.270 nan 0.000 0.454 75 A N -0.502 122.366 122.820 0.078 0.000 2.493 75 A HA 0.281 4.601 4.320 -0.001 0.000 0.165 75 A C -0.266 177.343 177.584 0.041 0.000 1.265 75 A CA -0.285 51.783 52.037 0.051 0.000 2.312 75 A CB 0.327 19.349 19.000 0.036 0.000 2.748 75 A HN 0.082 nan 8.150 nan 0.000 1.115 76 D N 0.472 120.884 120.400 0.019 0.000 2.369 76 D HA 0.212 4.852 4.640 -0.001 0.000 0.211 76 D C 0.818 177.116 176.300 -0.005 0.000 1.077 76 D CA 0.088 54.094 54.000 0.010 0.000 0.842 76 D CB 0.494 41.294 40.800 0.000 0.000 0.947 76 D HN 0.278 nan 8.370 nan 0.000 0.509 77 R N 0.157 120.649 120.500 -0.014 0.000 2.523 77 R HA 0.471 4.811 4.340 -0.001 0.000 0.216 77 R C 1.243 177.594 176.300 0.085 0.000 1.279 77 R CA 0.001 56.078 56.100 -0.038 0.000 1.015 77 R CB -0.161 29.989 30.300 -0.250 0.000 1.756 77 R HN 0.024 nan 8.270 nan 0.000 0.528 78 G N 1.037 109.958 108.800 0.200 0.000 2.591 78 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.298 78 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.298 78 G C 0.655 175.631 174.900 0.126 0.000 1.195 78 G CA 0.599 45.821 45.100 0.204 0.000 0.989 78 G HN 0.714 nan 8.290 nan 0.000 0.551 79 I N -2.001 118.619 120.570 0.084 0.000 3.928 79 I HA 0.433 4.603 4.170 -0.001 0.000 0.335 79 I C 2.126 178.267 176.117 0.040 0.000 1.325 79 I CA 1.107 62.442 61.300 0.058 0.000 1.107 79 I CB 0.531 38.543 38.000 0.020 0.000 1.014 79 I HN 0.242 nan 8.210 nan 0.000 0.400 80 S N 2.532 118.260 115.700 0.047 0.000 2.387 80 S HA -0.075 4.394 4.470 -0.001 0.000 0.230 80 S C -0.456 174.166 174.600 0.037 0.000 1.035 80 S CA 1.898 60.123 58.200 0.040 0.000 1.014 80 S CB -1.098 62.128 63.200 0.043 0.000 0.836 80 S HN 0.450 nan 8.310 nan 0.000 0.466 81 P HA -0.004 nan 4.420 nan 0.000 0.225 81 P C 0.749 178.077 177.300 0.047 0.000 1.148 81 P CA 0.825 63.952 63.100 0.045 0.000 0.779 81 P CB -0.130 31.599 31.700 0.048 0.000 0.780 82 L N -1.941 119.304 121.223 0.037 0.000 2.591 82 L HA 0.191 4.531 4.340 -0.001 0.000 0.228 82 L C 1.622 178.477 176.870 -0.024 0.000 1.133 82 L CA 0.028 54.873 54.840 0.008 0.000 0.880 82 L CB -0.594 41.473 42.059 0.014 0.000 1.033 82 L HN -0.116 nan 8.230 nan 0.000 0.450 83 A N 0.079 122.901 122.820 0.003 0.000 2.324 83 A HA 0.118 4.437 4.320 -0.001 0.000 0.240 83 A C 0.547 178.135 177.584 0.007 0.000 1.347 83 A CA -0.154 51.887 52.037 0.007 0.000 1.036 83 A CB -0.579 18.438 19.000 0.028 0.000 0.917 83 A HN 0.401 nan 8.150 nan 0.000 0.519 84 Q N 0.642 120.431 119.800 -0.017 0.000 2.261 84 Q HA 0.239 4.578 4.340 -0.001 0.000 0.252 84 Q C -0.499 175.485 176.000 -0.027 0.000 0.915 84 Q CA -0.264 55.557 55.803 0.030 0.000 0.915 84 Q CB 1.123 29.943 28.738 0.137 0.000 1.204 84 Q HN 0.510 nan 8.270 nan 0.000 0.421 85 E N 0.431 120.675 120.200 0.072 0.000 2.366 85 E HA 0.110 4.460 4.350 -0.001 0.000 0.266 85 E C 0.583 177.249 176.600 0.110 0.000 1.015 85 E CA 0.754 57.194 56.400 0.065 0.000 0.906 85 E CB 0.397 30.146 29.700 0.081 0.000 0.979 85 E HN 0.927 nan 8.360 nan 0.000 0.443 86 G N 2.728 111.549 108.800 0.034 0.000 2.234 86 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.235 86 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.235 86 G C 0.588 175.413 174.900 -0.126 0.000 0.997 86 G CA 0.301 45.450 45.100 0.082 0.000 0.623 86 G HN 0.505 nan 8.290 nan 0.000 0.514 87 L N 0.929 121.816 121.223 -0.559 0.000 2.102 87 L HA 0.537 4.877 4.340 -0.001 0.000 0.202 87 L C 1.224 177.941 176.870 -0.255 0.000 1.076 87 L CA 1.381 55.785 54.840 -0.727 0.000 0.761 87 L CB 0.084 41.498 42.059 -1.075 0.000 0.921 87 L HN 0.215 nan 8.230 nan 0.000 0.444 88 V N 1.157 120.975 119.914 -0.161 0.000 2.435 88 V HA 0.249 4.368 4.120 -0.001 0.000 0.290 88 V C 0.838 176.951 176.094 0.032 0.000 1.030 88 V CA -0.311 61.971 62.300 -0.030 0.000 0.881 88 V CB 1.247 33.066 31.823 -0.007 0.000 0.983 88 V HN 0.400 nan 8.190 nan 0.000 0.445 89 K N 3.216 123.676 120.400 0.099 0.000 2.350 89 K HA 0.120 4.440 4.320 -0.001 0.000 0.196 89 K C -0.080 176.669 176.600 0.249 0.000 1.084 89 K CA -0.073 56.301 56.287 0.144 0.000 0.967 89 K CB 0.846 33.426 32.500 0.133 0.000 0.950 89 K HN 0.586 nan 8.250 nan 0.000 0.512 90 W N 0.402 121.732 121.300 0.050 0.000 3.129 90 W HA 0.552 5.212 4.660 -0.001 0.000 0.333 90 W C -2.079 174.505 176.519 0.109 0.000 1.141 90 W CA -0.324 57.078 57.345 0.095 0.000 1.224 90 W CB 2.157 31.672 29.460 0.091 0.000 1.393 90 W HN 0.066 nan 8.180 nan 0.000 0.499 91 A N 5.158 127.915 122.820 -0.106 0.000 2.488 91 A HA 0.718 5.038 4.320 -0.001 0.000 0.298 91 A C -2.561 174.852 177.584 -0.285 0.000 1.044 91 A CA -0.675 51.314 52.037 -0.080 0.000 0.693 91 A CB 1.586 20.606 19.000 0.033 0.000 1.272 91 A HN 0.941 nan 8.150 nan 0.000 0.402 92 L N 2.438 123.508 121.223 -0.255 0.000 2.372 92 L HA 0.804 5.143 4.340 -0.001 0.000 0.273 92 L C -1.163 175.642 176.870 -0.109 0.000 0.989 92 L CA -0.231 54.519 54.840 -0.150 0.000 0.841 92 L CB 0.944 42.815 42.059 -0.313 0.000 1.225 92 L HN 0.713 nan 8.230 nan 0.000 0.414 93 C N 2.598 121.869 119.300 -0.048 0.000 2.712 93 C HA 0.676 5.136 4.460 -0.001 0.000 0.308 93 C C 1.470 176.494 174.990 0.056 0.000 1.201 93 C CA -0.261 58.610 59.018 -0.245 0.000 1.554 93 C CB 1.572 28.733 27.740 -0.965 0.000 2.117 93 C HN 0.976 nan 8.230 nan 0.000 0.480 94 G N -0.467 108.369 108.800 0.060 0.000 2.551 94 G HA2 0.071 4.030 3.960 -0.001 0.000 0.216 94 G HA3 0.071 4.030 3.960 -0.001 0.000 0.216 94 G C 0.437 175.521 174.900 0.307 0.000 1.137 94 G CA 0.809 46.019 45.100 0.185 0.000 0.798 94 G HN 0.816 nan 8.290 nan 0.000 0.536 95 H N -2.756 116.378 119.070 0.106 0.000 2.996 95 H HA 0.266 4.822 4.556 -0.000 0.000 0.368 95 H C -0.869 174.477 175.328 0.029 0.000 1.185 95 H CA -0.805 55.356 56.048 0.189 0.000 1.160 95 H CB 1.592 31.450 29.762 0.161 0.000 1.820 95 H HN 0.036 nan 8.280 nan 0.000 0.547 96 W N 1.573 122.704 121.300 -0.282 0.000 3.063 96 W HA 0.240 4.900 4.660 -0.000 0.000 0.246 96 W C 2.210 178.686 176.519 -0.072 0.000 1.145 96 W CA 0.837 58.112 57.345 -0.116 0.000 1.510 96 W CB 0.131 29.515 29.460 -0.128 0.000 0.904 96 W HN 0.778 nan 8.180 nan 0.000 0.679 97 G N -0.071 108.749 108.800 0.034 0.000 2.559 97 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.216 97 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.216 97 G C 1.276 176.325 174.900 0.248 0.000 1.126 97 G CA 0.891 46.078 45.100 0.145 0.000 0.778 97 G HN 0.156 nan 8.290 nan 0.000 0.543 98 Q N 0.442 120.460 119.800 0.363 0.000 2.230 98 Q HA 0.106 4.446 4.340 -0.001 0.000 0.202 98 Q C 0.940 177.038 176.000 0.163 0.000 0.963 98 Q CA 0.585 56.544 55.803 0.259 0.000 0.866 98 Q CB 0.120 28.992 28.738 0.223 0.000 0.931 98 Q HN 0.267 nan 8.270 nan 0.000 0.452 99 S N 1.564 117.342 115.700 0.130 0.000 2.252 99 S HA 0.242 4.711 4.470 -0.001 0.000 0.180 99 S C -2.186 172.466 174.600 0.087 0.000 1.534 99 S CA -1.075 57.177 58.200 0.087 0.000 1.141 99 S CB 1.163 64.389 63.200 0.043 0.000 1.122 99 S HN 0.277 nan 8.310 nan 0.000 0.475 100 P HA -0.073 nan 4.420 nan 0.000 0.225 100 P C 1.192 178.532 177.300 0.067 0.000 1.148 100 P CA 0.657 63.805 63.100 0.080 0.000 0.779 100 P CB 0.343 32.078 31.700 0.059 0.000 0.780 101 R N -0.435 120.099 120.500 0.058 0.000 2.115 101 R HA -0.009 4.331 4.340 -0.001 0.000 0.230 101 R C 2.336 178.675 176.300 0.064 0.000 1.111 101 R CA 0.968 57.098 56.100 0.050 0.000 0.976 101 R CB -1.049 29.275 30.300 0.040 0.000 0.870 101 R HN 0.177 nan 8.270 nan 0.000 0.445 102 I N 0.034 120.651 120.570 0.079 0.000 2.286 102 I HA -0.177 3.992 4.170 -0.001 0.000 0.245 102 I C 1.972 178.231 176.117 0.238 0.000 1.104 102 I CA 1.603 62.970 61.300 0.111 0.000 1.397 102 I CB -1.174 36.838 38.000 0.021 0.000 1.072 102 I HN 0.205 nan 8.210 nan 0.000 0.417 103 S N 0.051 115.915 115.700 0.273 0.000 2.428 103 S HA -0.122 4.347 4.470 -0.001 0.000 0.230 103 S C 1.534 176.177 174.600 0.072 0.000 1.014 103 S CA 0.725 59.094 58.200 0.282 0.000 0.957 103 S CB -0.327 63.038 63.200 0.275 0.000 0.784 103 S HN 0.304 nan 8.310 nan 0.000 0.499 104 D N 2.211 122.642 120.400 0.053 0.000 2.123 104 D HA -0.021 4.619 4.640 -0.001 0.000 0.196 104 D C 1.904 178.207 176.300 0.005 0.000 0.992 104 D CA 1.011 55.016 54.000 0.008 0.000 0.833 104 D CB -0.405 40.404 40.800 0.014 0.000 0.954 104 D HN 0.387 nan 8.370 nan 0.000 0.455 105 L N 0.415 121.660 121.223 0.036 0.000 2.056 105 L HA -0.129 4.211 4.340 -0.001 0.000 0.207 105 L C 2.533 179.402 176.870 -0.002 0.000 1.078 105 L CA 1.124 55.980 54.840 0.027 0.000 0.749 105 L CB -0.446 41.645 42.059 0.053 0.000 0.901 105 L HN -0.020 nan 8.230 nan 0.000 0.433 106 A N 0.062 122.879 122.820 -0.004 0.000 1.877 106 A HA -0.230 4.089 4.320 -0.001 0.000 0.216 106 A C 2.134 179.628 177.584 -0.150 0.000 1.186 106 A CA 1.670 53.637 52.037 -0.116 0.000 0.620 106 A CB -0.516 18.320 19.000 -0.273 0.000 0.822 106 A HN 0.421 nan 8.150 nan 0.000 0.443 107 E N -0.403 119.716 120.200 -0.134 0.000 2.147 107 E HA -0.256 4.094 4.350 -0.001 0.000 0.199 107 E C 1.599 178.141 176.600 -0.096 0.000 1.005 107 E CA 1.632 57.954 56.400 -0.130 0.000 0.810 107 E CB -0.155 29.478 29.700 -0.112 0.000 0.736 107 E HN 0.750 nan 8.360 nan 0.000 0.460 108 Q N 0.074 119.834 119.800 -0.067 0.000 2.222 108 Q HA 0.118 4.458 4.340 -0.001 0.000 0.206 108 Q C -0.361 175.611 176.000 -0.047 0.000 0.877 108 Q CA -0.234 55.540 55.803 -0.049 0.000 0.958 108 Q CB 0.427 29.147 28.738 -0.030 0.000 1.075 108 Q HN 0.182 nan 8.270 nan 0.000 0.483 109 N N 0.682 119.343 118.700 -0.065 0.000 2.708 109 N HA -0.221 4.519 4.740 -0.001 0.000 0.249 109 N C 0.233 175.722 175.510 -0.035 0.000 1.097 109 N CA 0.811 53.824 53.050 -0.062 0.000 0.710 109 N CB -0.287 38.166 38.487 -0.056 0.000 1.032 109 N HN 0.405 nan 8.380 nan 0.000 0.551 110 K N -0.030 120.356 120.400 -0.023 0.000 2.314 110 K HA 0.111 4.430 4.320 -0.001 0.000 0.198 110 K C 1.355 177.963 176.600 0.014 0.000 1.045 110 K CA 0.704 56.992 56.287 0.001 0.000 0.988 110 K CB 0.509 33.015 32.500 0.010 0.000 0.783 110 K HN 0.564 nan 8.250 nan 0.000 0.484 111 I N -2.230 118.342 120.570 0.004 0.000 2.828 111 I HA 0.409 4.578 4.170 -0.001 0.000 0.302 111 I C -0.513 175.583 176.117 -0.035 0.000 1.101 111 I CA -1.324 59.990 61.300 0.023 0.000 1.031 111 I CB 1.636 39.675 38.000 0.064 0.000 1.231 111 I HN -0.288 nan 8.210 nan 0.000 0.427 112 I N 3.637 124.193 120.570 -0.023 0.000 2.588 112 I HA 0.493 4.662 4.170 -0.001 0.000 0.283 112 I C 0.385 176.313 176.117 -0.314 0.000 1.119 112 I CA 0.370 61.572 61.300 -0.164 0.000 1.419 112 I CB 1.164 39.153 38.000 -0.019 0.000 1.394 112 I HN 0.795 nan 8.210 nan 0.000 0.562 113 A N 6.568 129.091 122.820 -0.496 0.000 2.429 113 A HA 0.722 5.041 4.320 -0.001 0.000 0.289 113 A C -1.480 175.765 177.584 -0.565 0.000 1.043 113 A CA -0.399 51.394 52.037 -0.408 0.000 0.722 113 A CB 0.578 19.283 19.000 -0.492 0.000 1.243 113 A HN 0.561 nan 8.150 nan 0.000 0.415 114 Y N 0.542 120.761 120.300 -0.135 0.000 2.598 114 Y HA 0.628 5.178 4.550 -0.001 0.000 0.340 114 Y C 0.453 176.481 175.900 0.213 0.000 1.038 114 Y CA -0.757 57.331 58.100 -0.020 0.000 1.100 114 Y CB 2.341 40.749 38.460 -0.088 0.000 1.281 114 Y HN 0.736 nan 8.280 nan 0.000 0.488 115 N N 1.005 119.984 118.700 0.465 0.000 2.609 115 N HA 0.245 4.985 4.740 -0.001 0.000 0.268 115 N C -1.860 173.947 175.510 0.495 0.000 1.106 115 N CA -0.414 52.959 53.050 0.539 0.000 0.823 115 N CB 0.556 39.374 38.487 0.551 0.000 1.263 115 N HN 0.422 nan 8.380 nan 0.000 0.533 116 Y N 1.926 122.364 120.300 0.230 0.000 2.326 116 Y HA 0.310 4.860 4.550 -0.001 0.000 0.333 116 Y C -1.818 174.123 175.900 0.068 0.000 1.240 116 Y CA -2.287 55.888 58.100 0.124 0.000 1.365 116 Y CB 0.012 38.484 38.460 0.021 0.000 1.289 116 Y HN 0.460 nan 8.280 nan 0.000 0.548 117 P HA -0.064 nan 4.420 nan 0.000 0.265 117 P C 0.692 177.985 177.300 -0.012 0.000 1.187 117 P CA 0.295 63.437 63.100 0.070 0.000 0.766 117 P CB 0.519 32.206 31.700 -0.020 0.000 0.820 118 Q N 2.757 122.537 119.800 -0.032 0.000 2.096 118 Q HA -0.173 4.167 4.340 -0.001 0.000 0.204 118 Q C 2.058 177.750 176.000 -0.512 0.000 0.982 118 Q CA 2.320 58.038 55.803 -0.142 0.000 0.850 118 Q CB -0.894 27.839 28.738 -0.008 0.000 0.901 118 Q HN 0.661 nan 8.270 nan 0.000 0.422 119 G N 0.181 108.335 108.800 -1.076 0.000 2.446 119 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.217 119 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.217 119 G C 1.430 176.094 174.900 -0.393 0.000 1.168 119 G CA 1.070 45.369 45.100 -1.334 0.000 0.771 119 G HN 0.311 nan 8.290 nan 0.000 0.551 120 V N 0.667 120.454 119.914 -0.213 0.000 2.358 120 V HA -0.116 4.004 4.120 -0.001 0.000 0.246 120 V C 2.674 178.662 176.094 -0.176 0.000 1.047 120 V CA 1.568 63.719 62.300 -0.249 0.000 1.035 120 V CB -0.414 30.991 31.823 -0.696 0.000 0.658 120 V HN 0.353 nan 8.190 nan 0.000 0.452 121 L N 0.157 121.338 121.223 -0.071 0.000 2.012 121 L HA -0.167 4.173 4.340 -0.001 0.000 0.210 121 L C 2.571 179.454 176.870 0.021 0.000 1.073 121 L CA 2.773 57.662 54.840 0.082 0.000 0.748 121 L CB -1.142 40.964 42.059 0.078 0.000 0.891 121 L HN 0.406 nan 8.230 nan 0.000 0.431 122 T N -1.701 112.835 114.554 -0.031 0.000 2.821 122 T HA -0.192 4.158 4.350 -0.001 0.000 0.267 122 T C 1.841 176.545 174.700 0.006 0.000 1.046 122 T CA 1.582 63.685 62.100 0.005 0.000 1.139 122 T CB -0.098 68.793 68.868 0.037 0.000 0.871 122 T HN 0.564 nan 8.240 nan 0.000 0.454 123 Q N 0.308 120.097 119.800 -0.019 0.000 2.135 123 Q HA -0.098 4.242 4.340 -0.001 0.000 0.204 123 Q C 2.579 178.579 176.000 0.001 0.000 0.981 123 Q CA 2.009 57.806 55.803 -0.011 0.000 0.856 123 Q CB -0.313 28.412 28.738 -0.020 0.000 0.902 123 Q HN 0.741 nan 8.270 nan 0.000 0.425 124 T N -1.507 113.054 114.554 0.011 0.000 2.985 124 T HA -0.001 4.348 4.350 -0.001 0.000 0.266 124 T C 1.789 176.521 174.700 0.053 0.000 1.076 124 T CA 0.405 62.531 62.100 0.043 0.000 1.135 124 T CB -0.159 68.783 68.868 0.125 0.000 0.890 124 T HN 0.125 nan 8.240 nan 0.000 0.480 125 L N 0.238 121.489 121.223 0.046 0.000 2.093 125 L HA 0.090 4.430 4.340 -0.001 0.000 0.208 125 L C 3.204 180.099 176.870 0.041 0.000 1.085 125 L CA 1.288 56.154 54.840 0.043 0.000 0.755 125 L CB -0.454 41.627 42.059 0.038 0.000 0.904 125 L HN 0.203 nan 8.230 nan 0.000 0.435 126 R N 0.165 120.683 120.500 0.031 0.000 2.075 126 R HA -0.136 4.204 4.340 -0.001 0.000 0.232 126 R C 2.377 178.696 176.300 0.031 0.000 1.126 126 R CA 1.240 57.355 56.100 0.025 0.000 0.963 126 R CB -0.213 30.095 30.300 0.014 0.000 0.858 126 R HN 0.320 nan 8.270 nan 0.000 0.435 127 A N 0.928 123.767 122.820 0.032 0.000 1.892 127 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 127 A C 2.367 179.993 177.584 0.070 0.000 1.188 127 A CA 1.927 53.989 52.037 0.042 0.000 0.631 127 A CB -0.921 18.098 19.000 0.033 0.000 0.822 127 A HN 0.540 nan 8.150 nan 0.000 0.447 128 A N -0.227 122.637 122.820 0.073 0.000 1.908 128 A HA 0.125 4.444 4.320 -0.001 0.000 0.218 128 A C 2.522 180.196 177.584 0.149 0.000 1.181 128 A CA 2.228 54.325 52.037 0.101 0.000 0.627 128 A CB -1.107 17.936 19.000 0.072 0.000 0.818 128 A HN 1.202 nan 8.150 nan 0.000 0.445 129 A N -0.271 122.608 122.820 0.098 0.000 1.948 129 A HA 0.086 4.405 4.320 -0.001 0.000 0.220 129 A C 2.244 179.849 177.584 0.036 0.000 1.177 129 A CA 2.146 54.230 52.037 0.078 0.000 0.636 129 A CB -0.803 18.223 19.000 0.045 0.000 0.815 129 A HN 1.220 nan 8.150 nan 0.000 0.449 130 A N -2.466 120.379 122.820 0.043 0.000 2.307 130 A HA 0.308 4.628 4.320 -0.001 0.000 0.218 130 A C 0.616 178.245 177.584 0.076 0.000 1.228 130 A CA 0.551 52.591 52.037 0.004 0.000 0.857 130 A CB -0.836 18.172 19.000 0.015 0.000 0.897 130 A HN 0.732 nan 8.150 nan 0.000 0.495 131 H N -1.029 118.057 119.070 0.026 0.000 2.820 131 H HA -0.164 4.392 4.556 -0.000 0.000 0.295 131 H C -0.280 175.068 175.328 0.033 0.000 1.187 131 H CA 0.355 56.419 56.048 0.026 0.000 1.144 131 H CB -1.424 28.350 29.762 0.021 0.000 1.354 131 H HN 0.735 nan 8.280 nan 0.000 0.395 132 Q N 1.231 121.118 119.800 0.145 0.000 2.288 132 Q HA 0.066 4.406 4.340 -0.001 0.000 0.254 132 Q C -1.277 174.786 176.000 0.104 0.000 0.932 132 Q CA -1.522 54.344 55.803 0.106 0.000 0.902 132 Q CB 1.051 29.835 28.738 0.077 0.000 1.203 132 Q HN 0.247 nan 8.270 nan 0.000 0.415 133 P HA -0.033 nan 4.420 nan 0.000 0.222 133 P C 0.146 177.535 177.300 0.149 0.000 1.153 133 P CA 0.795 63.992 63.100 0.161 0.000 0.798 133 P CB 0.534 32.366 31.700 0.219 0.000 0.796 134 G N -0.183 108.682 108.800 0.107 0.000 2.430 134 G HA2 0.510 4.470 3.960 -0.001 0.000 0.300 134 G HA3 0.510 4.470 3.960 -0.001 0.000 0.300 134 G C -1.903 172.931 174.900 -0.109 0.000 1.330 134 G CA -0.665 44.314 45.100 -0.202 0.000 0.813 134 G HN 0.214 nan 8.290 nan 0.000 0.487 135 I N -1.834 118.610 120.570 -0.210 0.000 2.569 135 I HA 0.797 4.967 4.170 -0.001 0.000 0.296 135 I C -0.989 175.142 176.117 0.024 0.000 1.028 135 I CA -1.413 59.858 61.300 -0.048 0.000 1.082 135 I CB 2.147 40.124 38.000 -0.039 0.000 1.264 135 I HN 0.365 nan 8.210 nan 0.000 0.429 136 I N 5.165 125.764 120.570 0.049 0.000 2.304 136 I HA 0.422 4.591 4.170 -0.001 0.000 0.291 136 I C 0.202 176.327 176.117 0.014 0.000 1.018 136 I CA 0.110 61.445 61.300 0.059 0.000 1.260 136 I CB 1.241 39.170 38.000 -0.117 0.000 1.390 136 I HN 0.658 nan 8.210 nan 0.000 0.475 137 S N 3.152 118.941 115.700 0.150 0.000 2.546 137 S HA 0.292 4.762 4.470 -0.001 0.000 0.274 137 S C 0.090 174.855 174.600 0.275 0.000 1.121 137 S CA -0.755 57.541 58.200 0.159 0.000 0.887 137 S CB 1.349 64.600 63.200 0.085 0.000 1.094 137 S HN 0.738 nan 8.310 nan 0.000 0.474 138 D N 2.370 122.940 120.400 0.283 0.000 2.340 138 D HA 0.074 4.714 4.640 -0.001 0.000 0.220 138 D C 0.526 176.856 176.300 0.049 0.000 1.039 138 D CA 0.085 54.193 54.000 0.180 0.000 0.866 138 D CB -0.128 40.753 40.800 0.136 0.000 0.913 138 D HN 0.394 nan 8.370 nan 0.000 0.523 139 I N 1.221 121.788 120.570 -0.005 0.000 2.587 139 I HA 0.283 4.452 4.170 -0.001 0.000 0.284 139 I C 1.796 177.926 176.117 0.021 0.000 1.134 139 I CA 1.182 62.427 61.300 -0.091 0.000 1.410 139 I CB 0.154 37.920 38.000 -0.389 0.000 1.392 139 I HN 0.452 nan 8.210 nan 0.000 0.545 140 G N 6.642 115.444 108.800 0.005 0.000 2.213 140 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.226 140 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.226 140 G C 0.450 175.321 174.900 -0.048 0.000 0.992 140 G CA -0.647 44.451 45.100 -0.003 0.000 0.632 140 G HN 0.452 nan 8.290 nan 0.000 0.511 141 I N 2.031 122.576 120.570 -0.042 0.000 2.828 141 I HA 0.278 4.447 4.170 -0.001 0.000 0.292 141 I C 1.787 177.862 176.117 -0.070 0.000 1.206 141 I CA 2.509 63.770 61.300 -0.064 0.000 1.420 141 I CB -0.367 37.594 38.000 -0.066 0.000 1.368 141 I HN 1.409 nan 8.210 nan 0.000 0.556 142 G N 4.281 113.037 108.800 -0.073 0.000 2.132 142 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.234 142 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.234 142 G C 0.247 175.118 174.900 -0.048 0.000 0.989 142 G CA 0.353 45.410 45.100 -0.072 0.000 0.676 142 G HN 0.923 nan 8.290 nan 0.000 0.522 143 T N -3.000 111.531 114.554 -0.038 0.000 2.742 143 T HA 0.633 4.982 4.350 -0.001 0.000 0.282 143 T C 1.207 175.899 174.700 -0.014 0.000 1.025 143 T CA -0.019 62.090 62.100 0.016 0.000 1.020 143 T CB 1.012 69.901 68.868 0.036 0.000 1.317 143 T HN 1.163 nan 8.240 nan 0.000 0.538 144 F N 1.009 120.921 119.950 -0.063 0.000 2.307 144 F HA 0.008 4.534 4.527 -0.001 0.000 0.301 144 F C 1.902 177.677 175.800 -0.042 0.000 1.076 144 F CA 1.008 58.967 58.000 -0.068 0.000 1.383 144 F CB -1.084 37.833 39.000 -0.138 0.000 1.055 144 F HN 0.352 nan 8.300 nan 0.000 0.526 145 V N -1.627 117.786 119.914 -0.835 0.000 2.871 145 V HA -0.093 4.026 4.120 -0.001 0.000 0.256 145 V C 0.953 176.882 176.094 -0.275 0.000 1.082 145 V CA 0.969 62.914 62.300 -0.591 0.000 1.105 145 V CB -0.893 30.626 31.823 -0.506 0.000 0.713 145 V HN 0.308 nan 8.190 nan 0.000 0.473 146 D N 2.511 122.788 120.400 -0.205 0.000 2.487 146 D HA 0.055 4.694 4.640 -0.001 0.000 0.243 146 D C -1.303 174.942 176.300 -0.092 0.000 1.154 146 D CA -1.184 52.732 54.000 -0.140 0.000 0.876 146 D CB 1.817 42.559 40.800 -0.096 0.000 1.161 146 D HN 0.262 nan 8.370 nan 0.000 0.478 147 P HA -0.111 nan 4.420 nan 0.000 0.225 147 P C 0.921 178.208 177.300 -0.021 0.000 1.148 147 P CA 0.816 63.893 63.100 -0.037 0.000 0.779 147 P CB 0.202 31.880 31.700 -0.037 0.000 0.780 148 R N -0.889 119.591 120.500 -0.032 0.000 2.316 148 R HA -0.001 4.339 4.340 -0.001 0.000 0.202 148 R C 1.905 178.197 176.300 -0.013 0.000 1.029 148 R CA 0.836 56.921 56.100 -0.024 0.000 1.018 148 R CB -0.092 30.187 30.300 -0.035 0.000 0.888 148 R HN 0.436 nan 8.270 nan 0.000 0.471 149 Q N -0.994 118.804 119.800 -0.004 0.000 3.062 149 Q HA 0.108 4.448 4.340 -0.001 0.000 0.214 149 Q C 1.045 177.074 176.000 0.048 0.000 1.160 149 Q CA -0.380 55.438 55.803 0.025 0.000 0.318 149 Q CB 0.170 28.933 28.738 0.041 0.000 5.730 149 Q HN -0.094 nan 8.270 nan 0.000 0.318 150 Q N -0.085 119.772 119.800 0.096 0.000 2.408 150 Q HA 0.198 4.537 4.340 -0.001 0.000 0.205 150 Q C 0.415 176.479 176.000 0.106 0.000 0.919 150 Q CA 0.745 56.623 55.803 0.125 0.000 0.932 150 Q CB 0.555 29.436 28.738 0.238 0.000 1.058 150 Q HN 0.802 nan 8.270 nan 0.000 0.517 151 G N -0.034 108.797 108.800 0.051 0.000 2.203 151 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.263 151 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.263 151 G C 0.844 175.809 174.900 0.109 0.000 1.012 151 G CA 0.422 45.546 45.100 0.040 0.000 0.749 151 G HN 0.871 nan 8.290 nan 0.000 0.512 152 G N -1.464 107.381 108.800 0.076 0.000 2.189 152 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.267 152 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.267 152 G C 0.435 175.543 174.900 0.346 0.000 0.975 152 G CA 1.230 46.438 45.100 0.180 0.000 0.644 152 G HN 1.112 nan 8.290 nan 0.000 0.537 153 K N -0.309 120.214 120.400 0.205 0.000 2.270 153 K HA 0.584 4.904 4.320 -0.001 0.000 0.276 153 K C 1.239 177.797 176.600 -0.069 0.000 1.023 153 K CA -0.340 55.913 56.287 -0.056 0.000 0.955 153 K CB 1.099 33.538 32.500 -0.102 0.000 0.975 153 K HN 0.155 nan 8.250 nan 0.000 0.471 154 L N 1.480 122.551 121.223 -0.254 0.000 2.556 154 L HA 0.049 4.389 4.340 -0.001 0.000 0.226 154 L C 0.204 176.903 176.870 -0.285 0.000 1.089 154 L CA -0.002 54.652 54.840 -0.310 0.000 0.864 154 L CB -0.070 41.652 42.059 -0.562 0.000 1.067 154 L HN 0.766 nan 8.230 nan 0.000 0.477 155 N N -3.033 115.513 118.700 -0.257 0.000 2.774 155 N HA 0.053 4.792 4.740 -0.001 0.000 0.264 155 N C 0.433 175.854 175.510 -0.148 0.000 1.415 155 N CA -0.699 52.232 53.050 -0.198 0.000 0.815 155 N CB 0.547 38.911 38.487 -0.206 0.000 1.514 155 N HN -0.252 nan 8.380 nan 0.000 0.523 156 E N -0.164 119.970 120.200 -0.111 0.000 2.070 156 E HA -0.148 4.202 4.350 -0.001 0.000 0.197 156 E C 1.228 177.784 176.600 -0.073 0.000 1.004 156 E CA 1.384 57.737 56.400 -0.078 0.000 0.805 156 E CB -0.113 29.551 29.700 -0.060 0.000 0.744 156 E HN 0.408 nan 8.360 nan 0.000 0.451 157 V N 1.238 121.104 119.914 -0.080 0.000 3.078 157 V HA -0.082 4.037 4.120 -0.001 0.000 0.265 157 V C 0.444 176.496 176.094 -0.070 0.000 1.122 157 V CA 1.280 63.545 62.300 -0.058 0.000 1.141 157 V CB -0.341 31.454 31.823 -0.046 0.000 0.735 157 V HN 0.099 nan 8.190 nan 0.000 0.498 158 T N 1.904 116.376 114.554 -0.136 0.000 2.727 158 T HA 0.236 4.586 4.350 -0.001 0.000 0.295 158 T C 0.734 175.379 174.700 -0.092 0.000 0.915 158 T CA -0.287 61.693 62.100 -0.201 0.000 1.066 158 T CB 1.023 69.612 68.868 -0.464 0.000 0.891 158 T HN 0.293 nan 8.240 nan 0.000 0.516 159 K N 2.079 122.486 120.400 0.012 0.000 2.312 159 K HA 0.148 4.468 4.320 -0.001 0.000 0.206 159 K C 0.873 177.557 176.600 0.140 0.000 1.121 159 K CA 0.078 56.404 56.287 0.065 0.000 0.923 159 K CB -0.036 32.502 32.500 0.062 0.000 1.162 159 K HN 0.611 nan 8.250 nan 0.000 0.478 160 E N 2.530 122.858 120.200 0.214 0.000 2.529 160 E HA -0.084 4.266 4.350 -0.001 0.000 0.259 160 E C -1.153 175.628 176.600 0.302 0.000 0.966 160 E CA 0.229 56.780 56.400 0.252 0.000 0.937 160 E CB 0.329 30.211 29.700 0.304 0.000 0.923 160 E HN 0.016 nan 8.360 nan 0.000 0.468 161 D N 4.423 124.943 120.400 0.200 0.000 2.277 161 D HA 0.133 4.773 4.640 -0.001 0.000 0.249 161 D C 0.520 176.909 176.300 0.148 0.000 1.134 161 D CA -0.076 54.031 54.000 0.178 0.000 0.863 161 D CB 1.075 41.944 40.800 0.114 0.000 1.143 161 D HN 0.400 nan 8.370 nan 0.000 0.458 162 L N 1.547 122.846 121.223 0.128 0.000 2.537 162 L HA 0.302 4.642 4.340 -0.001 0.000 0.224 162 L C 0.274 177.181 176.870 0.061 0.000 1.065 162 L CA 0.226 55.115 54.840 0.082 0.000 0.860 162 L CB 0.241 42.283 42.059 -0.028 0.000 1.086 162 L HN 0.345 nan 8.230 nan 0.000 0.482 163 I N 1.311 121.879 120.570 -0.002 0.000 2.378 163 I HA 0.236 4.406 4.170 -0.001 0.000 0.291 163 I C -0.320 175.754 176.117 -0.072 0.000 0.992 163 I CA -0.394 60.795 61.300 -0.184 0.000 1.154 163 I CB 1.581 39.338 38.000 -0.406 0.000 1.315 163 I HN 0.032 nan 8.210 nan 0.000 0.448 164 K N 5.692 126.083 120.400 -0.015 0.000 2.435 164 K HA 0.614 4.933 4.320 -0.001 0.000 0.251 164 K C -1.504 175.103 176.600 0.012 0.000 0.954 164 K CA -0.979 55.320 56.287 0.020 0.000 0.820 164 K CB 2.484 35.023 32.500 0.064 0.000 1.292 164 K HN 0.313 nan 8.250 nan 0.000 0.436 165 L N 2.620 123.836 121.223 -0.011 0.000 2.380 165 L HA 0.312 4.651 4.340 -0.001 0.000 0.273 165 L C -0.543 176.333 176.870 0.009 0.000 1.138 165 L CA 0.127 54.963 54.840 -0.007 0.000 0.832 165 L CB 1.418 43.459 42.059 -0.030 0.000 1.124 165 L HN 0.622 nan 8.230 nan 0.000 0.454 166 V N 0.997 120.943 119.914 0.054 0.000 3.160 166 V HA 0.714 4.834 4.120 -0.001 0.000 0.310 166 V C -0.985 175.122 176.094 0.022 0.000 1.181 166 V CA -0.914 61.399 62.300 0.021 0.000 1.047 166 V CB 1.867 33.759 31.823 0.115 0.000 1.068 166 V HN 0.789 nan 8.190 nan 0.000 0.441 167 E N 0.328 120.416 120.200 -0.187 0.000 2.246 167 E HA 0.717 5.066 4.350 -0.001 0.000 0.266 167 E C -2.266 174.059 176.600 -0.458 0.000 0.880 167 E CA -0.512 55.790 56.400 -0.165 0.000 0.762 167 E CB 1.910 31.509 29.700 -0.168 0.000 1.180 167 E HN 0.636 nan 8.360 nan 0.000 0.416 168 F N 2.282 122.360 119.950 0.213 0.000 2.596 168 F HA 0.246 4.773 4.527 -0.000 0.000 0.311 168 F C -0.302 175.619 175.800 0.202 0.000 1.116 168 F CA -0.867 57.233 58.000 0.168 0.000 0.957 168 F CB 1.927 40.990 39.000 0.105 0.000 1.250 168 F HN 0.458 nan 8.300 nan 0.000 0.444 169 D N 1.866 122.435 120.400 0.282 0.000 2.772 169 D HA -0.271 4.369 4.640 -0.001 0.000 0.233 169 D C -0.063 176.305 176.300 0.114 0.000 1.143 169 D CA 0.991 55.098 54.000 0.178 0.000 0.700 169 D CB -1.152 39.766 40.800 0.197 0.000 1.076 169 D HN 0.847 nan 8.370 nan 0.000 0.430 170 N N -0.509 118.233 118.700 0.070 0.000 2.708 170 N HA -0.246 4.494 4.740 -0.001 0.000 0.251 170 N C -0.525 174.990 175.510 0.008 0.000 1.017 170 N CA 1.413 54.474 53.050 0.019 0.000 0.742 170 N CB -0.039 38.451 38.487 0.004 0.000 0.943 170 N HN 0.447 nan 8.380 nan 0.000 0.539 171 K N 0.129 120.548 120.400 0.032 0.000 2.400 171 K HA 0.296 4.615 4.320 -0.001 0.000 0.246 171 K C -0.516 175.945 176.600 -0.231 0.000 0.995 171 K CA -0.748 55.478 56.287 -0.100 0.000 0.840 171 K CB 1.351 33.773 32.500 -0.131 0.000 1.293 171 K HN 0.100 nan 8.250 nan 0.000 0.445 172 E N 1.807 121.776 120.200 -0.384 0.000 2.217 172 E HA 0.130 4.479 4.350 -0.001 0.000 0.279 172 E C -1.192 175.071 176.600 -0.562 0.000 1.068 172 E CA 0.319 56.518 56.400 -0.334 0.000 0.882 172 E CB 0.403 29.963 29.700 -0.233 0.000 1.039 172 E HN 0.276 nan 8.360 nan 0.000 0.418 173 Y N 1.206 121.538 120.300 0.053 0.000 2.562 173 Y HA 0.343 4.893 4.550 -0.000 0.000 0.345 173 Y C -0.015 175.911 175.900 0.043 0.000 1.045 173 Y CA -0.862 57.282 58.100 0.073 0.000 1.028 173 Y CB 1.222 39.776 38.460 0.158 0.000 1.297 173 Y HN 0.296 nan 8.280 nan 0.000 0.463 174 L N 2.308 123.637 121.223 0.177 0.000 2.357 174 L HA 0.364 4.704 4.340 -0.001 0.000 0.273 174 L C -1.106 175.809 176.870 0.075 0.000 1.080 174 L CA -0.920 53.915 54.840 -0.008 0.000 0.803 174 L CB 1.011 42.902 42.059 -0.280 0.000 1.174 174 L HN 0.635 nan 8.230 nan 0.000 0.443 175 Y N 2.383 122.610 120.300 -0.122 0.000 2.356 175 Y HA 0.389 4.938 4.550 -0.000 0.000 0.334 175 Y C -1.170 174.626 175.900 -0.173 0.000 0.958 175 Y CA -0.715 57.359 58.100 -0.043 0.000 1.196 175 Y CB 0.641 39.121 38.460 0.034 0.000 1.137 175 Y HN 0.298 nan 8.280 nan 0.000 0.485 176 Y N 5.595 125.548 120.300 -0.579 0.000 2.341 176 Y HA 0.276 4.825 4.550 -0.000 0.000 0.340 176 Y C 0.397 175.895 175.900 -0.670 0.000 0.997 176 Y CA -0.760 56.965 58.100 -0.625 0.000 1.149 176 Y CB 0.986 39.012 38.460 -0.722 0.000 1.171 176 Y HN 0.498 nan 8.280 nan 0.000 0.494 177 K N 2.610 122.869 120.400 -0.234 0.000 2.448 177 K HA 0.409 4.728 4.320 -0.001 0.000 0.278 177 K C -0.368 176.285 176.600 0.088 0.000 1.009 177 K CA -0.211 56.027 56.287 -0.082 0.000 0.995 177 K CB 0.376 32.933 32.500 0.095 0.000 0.917 177 K HN 0.799 nan 8.250 nan 0.000 0.481 178 A N 5.856 128.697 122.820 0.036 0.000 2.276 178 A HA 0.394 4.714 4.320 -0.001 0.000 0.300 178 A C -0.424 177.198 177.584 0.063 0.000 1.235 178 A CA -0.655 51.426 52.037 0.074 0.000 0.867 178 A CB 0.028 19.056 19.000 0.047 0.000 1.137 178 A HN 0.749 nan 8.150 nan 0.000 0.527 179 I N 2.430 123.037 120.570 0.063 0.000 2.378 179 I HA 0.477 4.647 4.170 -0.001 0.000 0.291 179 I C 0.613 176.733 176.117 0.006 0.000 0.992 179 I CA -0.242 61.067 61.300 0.015 0.000 1.154 179 I CB 1.930 39.940 38.000 0.016 0.000 1.315 179 I HN 0.679 nan 8.210 nan 0.000 0.448 180 A N 8.228 131.038 122.820 -0.017 0.000 2.309 180 A HA 0.772 5.091 4.320 -0.001 0.000 0.298 180 A C -2.510 175.054 177.584 -0.035 0.000 1.165 180 A CA -1.393 50.639 52.037 -0.007 0.000 0.821 180 A CB 0.048 19.048 19.000 0.001 0.000 1.102 180 A HN 0.391 nan 8.150 nan 0.000 0.500 181 P HA 0.311 nan 4.420 nan 0.000 0.276 181 P C -0.309 176.970 177.300 -0.036 0.000 1.252 181 P CA -0.334 62.742 63.100 -0.039 0.000 0.802 181 P CB 0.897 32.581 31.700 -0.026 0.000 1.035 182 D N -0.214 120.155 120.400 -0.051 0.000 2.338 182 D HA 0.128 4.767 4.640 -0.001 0.000 0.208 182 D C 0.433 176.719 176.300 -0.024 0.000 0.997 182 D CA 1.172 55.150 54.000 -0.037 0.000 0.880 182 D CB 0.455 41.228 40.800 -0.046 0.000 0.980 182 D HN 0.213 nan 8.370 nan 0.000 0.509 183 I N 0.548 121.089 120.570 -0.048 0.000 2.656 183 I HA 0.481 4.650 4.170 -0.001 0.000 0.292 183 I C -0.814 175.254 176.117 -0.082 0.000 1.144 183 I CA -1.012 60.257 61.300 -0.052 0.000 1.038 183 I CB 1.994 39.935 38.000 -0.098 0.000 1.244 183 I HN -0.281 nan 8.210 nan 0.000 0.420 184 A N 5.654 128.471 122.820 -0.005 0.000 2.343 184 A HA 0.806 5.126 4.320 -0.001 0.000 0.316 184 A C -1.355 176.354 177.584 0.208 0.000 1.104 184 A CA -0.379 51.678 52.037 0.032 0.000 0.768 184 A CB 0.928 19.969 19.000 0.069 0.000 1.213 184 A HN 0.390 nan 8.150 nan 0.000 0.456 185 F N 3.508 123.479 119.950 0.034 0.000 2.334 185 F HA 0.421 4.948 4.527 -0.000 0.000 0.365 185 F C 0.560 176.382 175.800 0.036 0.000 1.124 185 F CA -1.288 56.732 58.000 0.032 0.000 1.166 185 F CB 0.164 39.185 39.000 0.034 0.000 1.355 185 F HN 0.577 nan 8.300 nan 0.000 0.532 186 I N 0.765 121.459 120.570 0.206 0.000 3.449 186 I HA 0.839 5.009 4.170 -0.001 0.000 0.294 186 I C -0.580 175.579 176.117 0.069 0.000 1.163 186 I CA -1.212 60.170 61.300 0.136 0.000 1.010 186 I CB 2.496 40.573 38.000 0.129 0.000 1.307 186 I HN 0.452 nan 8.210 nan 0.000 0.518 187 R N 1.396 121.920 120.500 0.041 0.000 2.634 187 R HA 0.805 5.145 4.340 -0.001 0.000 0.263 187 R C -2.105 174.052 176.300 -0.239 0.000 1.060 187 R CA -0.321 55.741 56.100 -0.063 0.000 0.898 187 R CB 2.066 32.344 30.300 -0.036 0.000 1.253 187 R HN 1.100 nan 8.270 nan 0.000 0.461 188 A N 1.034 123.610 122.820 -0.405 0.000 2.552 188 A HA 0.521 4.840 4.320 -0.001 0.000 0.288 188 A C 0.145 177.442 177.584 -0.479 0.000 1.193 188 A CA -0.446 51.069 52.037 -0.870 0.000 0.713 188 A CB 1.404 19.881 19.000 -0.871 0.000 1.305 188 A HN 0.704 nan 8.150 nan 0.000 0.424 189 T N 0.432 114.720 114.554 -0.443 0.000 2.770 189 T HA 0.161 4.511 4.350 -0.001 0.000 0.258 189 T C 0.514 175.128 174.700 -0.144 0.000 1.039 189 T CA 2.037 64.017 62.100 -0.201 0.000 1.143 189 T CB -0.159 68.641 68.868 -0.113 0.000 0.866 189 T HN 0.734 nan 8.240 nan 0.000 0.428 190 T N 1.069 115.543 114.554 -0.133 0.000 2.909 190 T HA 0.589 4.938 4.350 -0.001 0.000 0.299 190 T C -0.761 173.907 174.700 -0.053 0.000 1.073 190 T CA -0.896 61.163 62.100 -0.068 0.000 0.999 190 T CB 1.725 70.577 68.868 -0.027 0.000 1.098 190 T HN 0.585 nan 8.240 nan 0.000 0.477 191 C N 1.576 120.860 119.300 -0.026 0.000 2.994 191 C HA 0.921 5.381 4.460 -0.001 0.000 0.305 191 C C -0.302 174.705 174.990 0.029 0.000 1.251 191 C CA -1.110 57.913 59.018 0.009 0.000 1.478 191 C CB 1.226 28.961 27.740 -0.008 0.000 1.922 191 C HN 0.954 nan 8.230 nan 0.000 0.472 192 D N 1.150 121.590 120.400 0.067 0.000 2.433 192 D HA 0.251 4.891 4.640 -0.001 0.000 0.255 192 D C 1.292 177.630 176.300 0.064 0.000 1.226 192 D CA 0.233 54.269 54.000 0.060 0.000 1.015 192 D CB 0.688 41.522 40.800 0.056 0.000 1.091 192 D HN 0.892 nan 8.370 nan 0.000 0.527 193 S N -1.317 114.414 115.700 0.051 0.000 2.500 193 S HA -0.145 4.325 4.470 -0.001 0.000 0.239 193 S C 0.952 175.592 174.600 0.067 0.000 0.989 193 S CA 0.726 58.952 58.200 0.045 0.000 0.951 193 S CB -0.534 62.684 63.200 0.030 0.000 0.759 193 S HN 0.607 nan 8.310 nan 0.000 0.523 194 E N 0.159 120.433 120.200 0.123 0.000 2.501 194 E HA 0.339 4.689 4.350 -0.001 0.000 0.201 194 E C 1.062 177.733 176.600 0.119 0.000 1.016 194 E CA 0.149 56.648 56.400 0.164 0.000 0.920 194 E CB 0.438 30.304 29.700 0.278 0.000 1.023 194 E HN 0.645 nan 8.360 nan 0.000 0.474 195 G N 1.063 109.911 108.800 0.080 0.000 2.175 195 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.244 195 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.244 195 G C -0.131 174.719 174.900 -0.084 0.000 0.982 195 G CA -0.350 44.730 45.100 -0.033 0.000 0.641 195 G HN 0.289 nan 8.290 nan 0.000 0.527 196 Y N 1.541 121.805 120.300 -0.059 0.000 2.650 196 Y HA 0.390 4.940 4.550 -0.000 0.000 0.331 196 Y C 0.939 176.824 175.900 -0.025 0.000 1.165 196 Y CA 0.776 58.841 58.100 -0.059 0.000 1.473 196 Y CB 0.762 39.195 38.460 -0.045 0.000 1.224 196 Y HN 0.533 nan 8.280 nan 0.000 0.533 197 A N 2.885 125.765 122.820 0.100 0.000 2.365 197 A HA 0.776 5.096 4.320 -0.001 0.000 0.318 197 A C -0.199 177.497 177.584 0.187 0.000 1.091 197 A CA -0.545 51.544 52.037 0.087 0.000 0.763 197 A CB 0.928 19.944 19.000 0.027 0.000 1.248 197 A HN 0.655 nan 8.150 nan 0.000 0.442 198 T N -2.072 112.566 114.554 0.140 0.000 2.942 198 T HA 0.726 5.075 4.350 -0.001 0.000 0.289 198 T C -0.523 174.290 174.700 0.189 0.000 1.044 198 T CA -0.376 61.874 62.100 0.251 0.000 1.023 198 T CB 1.050 70.005 68.868 0.145 0.000 1.123 198 T HN 0.381 nan 8.240 nan 0.000 0.512 199 F N 0.644 120.644 119.950 0.084 0.000 2.835 199 F HA 0.227 4.754 4.527 -0.000 0.000 0.342 199 F C 2.094 177.945 175.800 0.085 0.000 1.202 199 F CA -0.791 57.279 58.000 0.117 0.000 1.240 199 F CB 0.768 39.928 39.000 0.266 0.000 1.005 199 F HN 0.758 nan 8.300 nan 0.000 0.507 200 E N -0.100 120.198 120.200 0.162 0.000 2.160 200 E HA -0.212 4.138 4.350 -0.001 0.000 0.195 200 E C 0.403 177.031 176.600 0.047 0.000 0.991 200 E CA 1.795 58.249 56.400 0.090 0.000 0.810 200 E CB -0.083 29.643 29.700 0.044 0.000 0.742 200 E HN 0.335 nan 8.360 nan 0.000 0.466 201 D N 0.579 120.997 120.400 0.030 0.000 2.379 201 D HA 0.064 4.704 4.640 -0.001 0.000 0.208 201 D C -0.004 176.302 176.300 0.010 0.000 1.065 201 D CA 0.033 54.039 54.000 0.011 0.000 0.848 201 D CB 0.264 41.063 40.800 -0.002 0.000 0.949 201 D HN 0.094 nan 8.370 nan 0.000 0.509 202 E N 0.634 120.852 120.200 0.030 0.000 2.404 202 E HA 0.028 4.378 4.350 -0.001 0.000 0.261 202 E C 1.610 178.210 176.600 0.001 0.000 1.074 202 E CA -0.184 56.237 56.400 0.035 0.000 0.917 202 E CB 1.417 31.196 29.700 0.132 0.000 0.965 202 E HN -0.175 nan 8.360 nan 0.000 0.433 203 V N 1.366 121.270 119.914 -0.016 0.000 2.594 203 V HA -0.163 3.957 4.120 -0.001 0.000 0.253 203 V C 1.137 177.159 176.094 -0.120 0.000 1.069 203 V CA 2.082 64.351 62.300 -0.051 0.000 1.082 203 V CB -0.885 30.914 31.823 -0.041 0.000 0.680 203 V HN 0.705 nan 8.190 nan 0.000 0.469 204 M N -3.919 115.597 119.600 -0.139 0.000 3.748 204 M HA 0.320 4.800 4.480 -0.001 0.000 0.354 204 M C -0.437 175.720 176.300 -0.239 0.000 1.543 204 M CA -0.563 54.541 55.300 -0.327 0.000 0.907 204 M CB 1.019 33.497 32.600 -0.203 0.000 2.192 204 M HN -0.188 nan 8.290 nan 0.000 0.508 205 Y N 0.113 120.391 120.300 -0.036 0.000 2.535 205 Y HA 0.534 5.083 4.550 -0.001 0.000 0.266 205 Y C 1.320 177.173 175.900 -0.079 0.000 1.088 205 Y CA -0.029 57.975 58.100 -0.160 0.000 1.285 205 Y CB -0.249 38.013 38.460 -0.331 0.000 1.166 205 Y HN 0.633 nan 8.280 nan 0.000 0.525 206 L N 0.038 121.320 121.223 0.098 0.000 6.328 206 L HA -0.389 3.951 4.340 -0.001 0.000 0.053 206 L C 0.226 177.137 176.870 0.068 0.000 2.032 206 L CA 1.783 56.673 54.840 0.084 0.000 1.701 206 L CB -0.820 41.297 42.059 0.097 0.000 2.706 206 L HN 0.349 nan 8.230 nan 0.000 1.012 207 D N -0.544 119.897 120.400 0.068 0.000 2.891 207 D HA 0.453 5.093 4.640 -0.001 0.000 0.312 207 D C 0.775 177.098 176.300 0.037 0.000 1.354 207 D CA 0.308 54.332 54.000 0.040 0.000 0.838 207 D CB 0.603 41.436 40.800 0.055 0.000 1.117 207 D HN 0.616 nan 8.370 nan 0.000 0.473 208 A N 0.458 123.305 122.820 0.045 0.000 1.883 208 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 208 A C 1.938 179.543 177.584 0.036 0.000 1.186 208 A CA 1.330 53.422 52.037 0.091 0.000 0.624 208 A CB -0.534 18.600 19.000 0.223 0.000 0.822 208 A HN 0.375 nan 8.150 nan 0.000 0.444 209 L N -0.224 120.973 121.223 -0.043 0.000 2.056 209 L HA -0.081 4.258 4.340 -0.001 0.000 0.207 209 L C 2.359 179.212 176.870 -0.029 0.000 1.078 209 L CA 1.848 56.652 54.840 -0.060 0.000 0.749 209 L CB -0.551 41.435 42.059 -0.121 0.000 0.901 209 L HN 0.136 nan 8.230 nan 0.000 0.433 210 V N 0.070 119.973 119.914 -0.017 0.000 2.295 210 V HA -0.329 3.791 4.120 -0.001 0.000 0.246 210 V C 2.543 178.651 176.094 0.024 0.000 1.049 210 V CA 2.299 64.601 62.300 0.004 0.000 1.024 210 V CB -0.473 31.356 31.823 0.009 0.000 0.648 210 V HN 0.443 nan 8.190 nan 0.000 0.447 211 I N 0.329 120.918 120.570 0.033 0.000 2.163 211 I HA -0.280 3.890 4.170 -0.001 0.000 0.243 211 I C 2.668 178.813 176.117 0.048 0.000 1.085 211 I CA 1.646 62.973 61.300 0.044 0.000 1.347 211 I CB -0.664 37.369 38.000 0.055 0.000 1.044 211 I HN 0.319 nan 8.210 nan 0.000 0.408 212 A N 0.184 123.029 122.820 0.041 0.000 1.902 212 A HA -0.241 4.079 4.320 -0.001 0.000 0.217 212 A C 2.264 179.881 177.584 0.054 0.000 1.181 212 A CA 1.518 53.577 52.037 0.037 0.000 0.623 212 A CB -0.564 18.434 19.000 -0.003 0.000 0.818 212 A HN 0.484 nan 8.150 nan 0.000 0.443 213 Q N -0.748 119.073 119.800 0.036 0.000 2.079 213 Q HA -0.058 4.282 4.340 -0.001 0.000 0.200 213 Q C 2.473 178.534 176.000 0.101 0.000 0.974 213 Q CA 1.219 57.060 55.803 0.063 0.000 0.840 213 Q CB -0.370 28.384 28.738 0.027 0.000 0.898 213 Q HN 0.671 nan 8.270 nan 0.000 0.430 214 A N 0.487 123.352 122.820 0.076 0.000 1.908 214 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 214 A C 2.330 179.967 177.584 0.088 0.000 1.181 214 A CA 1.489 53.575 52.037 0.081 0.000 0.627 214 A CB -0.694 18.342 19.000 0.060 0.000 0.818 214 A HN 0.206 nan 8.150 nan 0.000 0.445 215 V N -0.752 119.211 119.914 0.081 0.000 2.323 215 V HA -0.242 3.878 4.120 -0.001 0.000 0.244 215 V C 2.442 178.591 176.094 0.092 0.000 1.041 215 V CA 2.393 64.735 62.300 0.070 0.000 1.025 215 V CB -1.063 30.794 31.823 0.057 0.000 0.656 215 V HN 0.835 nan 8.190 nan 0.000 0.451 216 H N 1.169 120.259 119.070 0.032 0.000 2.319 216 H HA -0.155 4.400 4.556 -0.000 0.000 0.297 216 H C 1.947 177.305 175.328 0.050 0.000 1.097 216 H CA 2.149 58.219 56.048 0.037 0.000 1.285 216 H CB -0.057 29.728 29.762 0.037 0.000 1.368 216 H HN 0.321 nan 8.280 nan 0.000 0.495 217 N N 0.186 118.952 118.700 0.110 0.000 2.521 217 N HA -0.089 4.650 4.740 -0.001 0.000 0.188 217 N C 0.611 176.235 175.510 0.189 0.000 1.146 217 N CA 0.430 53.528 53.050 0.080 0.000 0.893 217 N CB -0.130 38.386 38.487 0.049 0.000 0.975 217 N HN 0.430 nan 8.380 nan 0.000 0.451 218 N N 0.004 118.759 118.700 0.092 0.000 2.214 218 N HA 0.097 4.837 4.740 -0.001 0.000 0.214 218 N C 0.592 176.097 175.510 -0.008 0.000 1.132 218 N CA 0.247 53.329 53.050 0.053 0.000 0.856 218 N CB 0.077 38.580 38.487 0.026 0.000 1.020 218 N HN 0.136 nan 8.380 nan 0.000 0.509 219 G N -0.590 108.178 108.800 -0.053 0.000 2.225 219 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.267 219 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.267 219 G C 0.505 175.374 174.900 -0.051 0.000 1.024 219 G CA 0.382 45.434 45.100 -0.079 0.000 0.784 219 G HN 0.618 nan 8.290 nan 0.000 0.507 220 G N -1.154 107.625 108.800 -0.035 0.000 2.525 220 G HA2 0.661 4.621 3.960 -0.001 0.000 0.287 220 G HA3 0.661 4.621 3.960 -0.001 0.000 0.287 220 G C -0.040 174.866 174.900 0.009 0.000 1.350 220 G CA -0.964 44.132 45.100 -0.005 0.000 1.039 220 G HN 0.648 nan 8.290 nan 0.000 0.513 221 I N 0.258 120.844 120.570 0.026 0.000 2.355 221 I HA 0.250 4.419 4.170 -0.001 0.000 0.288 221 I C -0.540 175.612 176.117 0.058 0.000 0.999 221 I CA -0.651 60.669 61.300 0.034 0.000 1.163 221 I CB 2.053 40.071 38.000 0.030 0.000 1.316 221 I HN -0.049 nan 8.210 nan 0.000 0.454 222 V N 7.540 127.494 119.914 0.066 0.000 2.383 222 V HA 0.384 4.503 4.120 -0.001 0.000 0.275 222 V C 0.212 176.348 176.094 0.070 0.000 1.036 222 V CA -0.240 62.106 62.300 0.077 0.000 0.889 222 V CB 1.200 33.064 31.823 0.068 0.000 0.985 222 V HN 0.646 nan 8.190 nan 0.000 0.459 223 M N 6.399 126.072 119.600 0.123 0.000 2.294 223 M HA 0.604 5.084 4.480 -0.001 0.000 0.335 223 M C -0.630 175.719 176.300 0.082 0.000 1.079 223 M CA -0.192 55.169 55.300 0.102 0.000 0.982 223 M CB 1.955 34.649 32.600 0.157 0.000 1.651 223 M HN 0.584 nan 8.290 nan 0.000 0.437 224 M N 3.440 123.050 119.600 0.018 0.000 2.197 224 M HA 0.346 4.826 4.480 -0.001 0.000 0.301 224 M C -1.161 175.114 176.300 -0.041 0.000 0.987 224 M CA -0.437 54.860 55.300 -0.005 0.000 0.921 224 M CB 2.007 34.596 32.600 -0.019 0.000 1.569 224 M HN 0.758 nan 8.290 nan 0.000 0.431 225 Q N 4.430 124.197 119.800 -0.056 0.000 2.261 225 Q HA 0.636 4.975 4.340 -0.001 0.000 0.252 225 Q C -1.410 174.537 176.000 -0.088 0.000 0.915 225 Q CA -0.639 55.120 55.803 -0.073 0.000 0.915 225 Q CB 1.290 29.980 28.738 -0.080 0.000 1.204 225 Q HN 0.693 nan 8.270 nan 0.000 0.421 226 V N 0.739 120.604 119.914 -0.081 0.000 3.102 226 V HA 0.302 4.421 4.120 -0.001 0.000 0.312 226 V C 0.427 176.480 176.094 -0.068 0.000 1.135 226 V CA -0.801 61.442 62.300 -0.094 0.000 1.022 226 V CB 1.853 33.622 31.823 -0.090 0.000 1.056 226 V HN 0.947 nan 8.190 nan 0.000 0.436 227 Q N 1.318 121.078 119.800 -0.068 0.000 2.137 227 Q HA 0.080 4.419 4.340 -0.001 0.000 0.198 227 Q C 0.375 176.354 176.000 -0.034 0.000 0.960 227 Q CA 1.669 57.445 55.803 -0.045 0.000 0.847 227 Q CB 0.287 29.000 28.738 -0.042 0.000 0.915 227 Q HN 0.915 nan 8.270 nan 0.000 0.448 228 K N -1.344 119.034 120.400 -0.037 0.000 2.579 228 K HA 0.471 4.791 4.320 -0.001 0.000 0.284 228 K C -1.240 175.346 176.600 -0.023 0.000 0.990 228 K CA -0.713 55.559 56.287 -0.025 0.000 0.880 228 K CB 1.226 33.715 32.500 -0.018 0.000 1.488 228 K HN -0.104 nan 8.250 nan 0.000 0.425 229 M N 1.915 121.507 119.600 -0.014 0.000 2.535 229 M HA 0.446 4.925 4.480 -0.001 0.000 0.314 229 M C -0.486 175.813 176.300 -0.001 0.000 1.153 229 M CA -1.122 54.174 55.300 -0.007 0.000 0.924 229 M CB 2.286 34.884 32.600 -0.004 0.000 1.710 229 M HN 0.647 nan 8.290 nan 0.000 0.451 230 V N -0.993 118.924 119.914 0.004 0.000 3.126 230 V HA 0.605 4.724 4.120 -0.001 0.000 0.314 230 V C -0.408 175.689 176.094 0.006 0.000 1.138 230 V CA -1.186 61.117 62.300 0.004 0.000 1.034 230 V CB 1.783 33.609 31.823 0.004 0.000 1.075 230 V HN 0.885 nan 8.190 nan 0.000 0.442 231 K N 1.484 121.884 120.400 0.001 0.000 2.485 231 K HA 0.064 4.384 4.320 -0.001 0.000 0.277 231 K C 0.323 176.918 176.600 -0.008 0.000 0.990 231 K CA 0.008 56.294 56.287 -0.003 0.000 0.994 231 K CB 0.331 32.826 32.500 -0.008 0.000 0.906 231 K HN 0.867 nan 8.250 nan 0.000 0.488 232 K N 2.546 122.941 120.400 -0.008 0.000 2.550 232 K HA -0.138 4.181 4.320 -0.001 0.000 0.280 232 K C 0.002 176.568 176.600 -0.058 0.000 0.987 232 K CA 1.066 57.339 56.287 -0.023 0.000 1.048 232 K CB 0.039 32.529 32.500 -0.016 0.000 0.879 232 K HN 0.780 nan 8.250 nan 0.000 0.491 233 A N 2.478 125.234 122.820 -0.107 0.000 2.832 233 A HA -0.180 4.140 4.320 -0.001 0.000 0.280 233 A C 0.842 178.369 177.584 -0.094 0.000 1.464 233 A CA 1.771 53.723 52.037 -0.140 0.000 0.804 233 A CB -2.597 16.322 19.000 -0.135 0.000 1.020 233 A HN 1.000 nan 8.150 nan 0.000 0.563 234 T N -2.848 111.669 114.554 -0.062 0.000 3.023 234 T HA 0.559 4.908 4.350 -0.001 0.000 0.253 234 T C 0.631 175.316 174.700 -0.025 0.000 1.038 234 T CA 0.375 62.450 62.100 -0.042 0.000 0.962 234 T CB -0.086 68.768 68.868 -0.024 0.000 1.018 234 T HN 0.539 nan 8.240 nan 0.000 0.521 235 L N 1.970 123.182 121.223 -0.018 0.000 2.453 235 L HA 0.350 4.690 4.340 -0.001 0.000 0.261 235 L C 0.841 177.728 176.870 0.028 0.000 1.179 235 L CA -1.051 53.804 54.840 0.025 0.000 0.813 235 L CB 0.338 42.425 42.059 0.046 0.000 1.110 235 L HN 0.301 nan 8.230 nan 0.000 0.466 236 H N 4.229 123.292 119.070 -0.013 0.000 2.848 236 H HA 0.081 4.637 4.556 -0.001 0.000 0.317 236 H C -1.736 173.583 175.328 -0.014 0.000 1.046 236 H CA -1.704 54.334 56.048 -0.017 0.000 1.470 236 H CB 1.563 31.317 29.762 -0.012 0.000 1.483 236 H HN 0.338 nan 8.280 nan 0.000 0.548 237 P HA -0.129 nan 4.420 nan 0.000 0.218 237 P C 0.744 178.130 177.300 0.144 0.000 1.148 237 P CA 1.270 64.398 63.100 0.047 0.000 0.822 237 P CB 0.404 32.077 31.700 -0.045 0.000 0.784 238 K N -0.523 120.074 120.400 0.329 0.000 2.432 238 K HA 0.087 4.407 4.320 -0.001 0.000 0.196 238 K C 1.966 178.598 176.600 0.054 0.000 1.038 238 K CA 0.573 56.955 56.287 0.158 0.000 0.986 238 K CB -0.064 32.514 32.500 0.129 0.000 0.782 238 K HN 0.068 nan 8.250 nan 0.000 0.485 239 S N 0.420 116.176 115.700 0.094 0.000 2.486 239 S HA 0.038 4.507 4.470 -0.001 0.000 0.220 239 S C 0.572 175.213 174.600 0.068 0.000 1.011 239 S CA -0.065 58.162 58.200 0.046 0.000 0.921 239 S CB 0.394 63.630 63.200 0.059 0.000 0.785 239 S HN -0.053 nan 8.310 nan 0.000 0.517 240 V N 4.037 124.003 119.914 0.087 0.000 2.450 240 V HA 0.126 4.246 4.120 -0.001 0.000 0.281 240 V C 1.165 177.275 176.094 0.027 0.000 1.019 240 V CA 0.228 62.590 62.300 0.103 0.000 1.062 240 V CB 0.497 32.410 31.823 0.151 0.000 0.979 240 V HN 0.312 nan 8.190 nan 0.000 0.477 241 R N 4.114 124.626 120.500 0.020 0.000 2.254 241 R HA 0.389 4.729 4.340 -0.001 0.000 0.193 241 R C 0.061 176.294 176.300 -0.112 0.000 0.929 241 R CA 0.452 56.455 56.100 -0.162 0.000 1.038 241 R CB 0.527 30.540 30.300 -0.477 0.000 1.009 241 R HN 0.536 nan 8.270 nan 0.000 0.512 242 I N 3.674 124.241 120.570 -0.005 0.000 2.439 242 I HA 0.251 4.420 4.170 -0.001 0.000 0.285 242 I C -2.428 173.531 176.117 -0.265 0.000 1.021 242 I CA -2.460 58.780 61.300 -0.101 0.000 1.091 242 I CB 2.758 40.756 38.000 -0.003 0.000 1.242 242 I HN -0.247 nan 8.210 nan 0.000 0.439 243 P HA 0.090 nan 4.420 nan 0.000 0.271 243 P C 0.823 177.307 177.300 -1.360 0.000 1.218 243 P CA -0.073 62.438 63.100 -0.982 0.000 0.780 243 P CB 1.148 32.262 31.700 -0.978 0.000 0.901 244 G N 2.164 109.748 108.800 -2.027 0.000 2.432 244 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.219 244 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.219 244 G C 1.022 175.566 174.900 -0.592 0.000 1.135 244 G CA 0.492 44.962 45.100 -1.050 0.000 0.767 244 G HN 0.632 nan 8.290 nan 0.000 0.550 245 Y N -0.055 120.014 120.300 -0.384 0.000 2.639 245 Y HA 0.293 4.842 4.550 -0.001 0.000 0.297 245 Y C 2.023 177.748 175.900 -0.292 0.000 1.151 245 Y CA -0.124 57.848 58.100 -0.213 0.000 1.335 245 Y CB -0.506 37.870 38.460 -0.140 0.000 0.994 245 Y HN 0.108 nan 8.280 nan 0.000 0.548 246 L N 0.074 121.003 121.223 -0.490 0.000 2.492 246 L HA 0.094 4.434 4.340 -0.001 0.000 0.223 246 L C 0.073 176.854 176.870 -0.148 0.000 1.132 246 L CA -0.073 54.520 54.840 -0.411 0.000 0.850 246 L CB 0.107 41.917 42.059 -0.414 0.000 0.966 246 L HN 0.048 nan 8.230 nan 0.000 0.454 247 V N -0.071 119.756 119.914 -0.144 0.000 2.435 247 V HA 0.152 4.272 4.120 -0.001 0.000 0.290 247 V C 0.180 176.261 176.094 -0.022 0.000 1.030 247 V CA -0.455 61.804 62.300 -0.068 0.000 0.881 247 V CB 1.842 33.607 31.823 -0.097 0.000 0.983 247 V HN 0.111 nan 8.190 nan 0.000 0.445 248 D N 3.295 123.693 120.400 -0.003 0.000 2.431 248 D HA 0.289 4.929 4.640 -0.001 0.000 0.227 248 D C 0.215 176.481 176.300 -0.057 0.000 1.030 248 D CA 0.884 54.874 54.000 -0.018 0.000 0.897 248 D CB 1.392 42.183 40.800 -0.016 0.000 1.058 248 D HN 0.384 nan 8.370 nan 0.000 0.500 249 I N 1.338 121.879 120.570 -0.048 0.000 2.569 249 I HA 0.207 4.377 4.170 -0.001 0.000 0.290 249 I C -0.906 175.192 176.117 -0.031 0.000 1.088 249 I CA -0.835 60.431 61.300 -0.056 0.000 1.047 249 I CB 3.232 41.186 38.000 -0.077 0.000 1.237 249 I HN -0.385 nan 8.210 nan 0.000 0.421 250 V N 6.586 126.481 119.914 -0.031 0.000 2.435 250 V HA 0.407 4.526 4.120 -0.001 0.000 0.290 250 V C -0.111 175.966 176.094 -0.029 0.000 1.030 250 V CA -0.697 61.585 62.300 -0.030 0.000 0.881 250 V CB 2.032 33.839 31.823 -0.028 0.000 0.983 250 V HN 0.394 nan 8.190 nan 0.000 0.445 251 V N 5.732 125.623 119.914 -0.039 0.000 2.370 251 V HA 0.365 4.485 4.120 -0.001 0.000 0.283 251 V C -0.038 176.030 176.094 -0.042 0.000 1.023 251 V CA -0.604 61.671 62.300 -0.041 0.000 0.857 251 V CB 1.777 33.563 31.823 -0.063 0.000 0.985 251 V HN 0.614 nan 8.190 nan 0.000 0.443 252 V N 3.928 123.823 119.914 -0.032 0.000 2.385 252 V HA 0.305 4.424 4.120 -0.001 0.000 0.269 252 V C -0.098 175.979 176.094 -0.029 0.000 1.043 252 V CA -0.249 62.033 62.300 -0.030 0.000 0.906 252 V CB 1.409 33.219 31.823 -0.021 0.000 0.995 252 V HN 0.921 nan 8.190 nan 0.000 0.467 253 D N 7.660 128.040 120.400 -0.033 0.000 2.477 253 D HA 0.362 5.001 4.640 -0.001 0.000 0.239 253 D C -1.330 174.957 176.300 -0.022 0.000 1.102 253 D CA -2.205 51.779 54.000 -0.027 0.000 0.901 253 D CB 2.036 42.819 40.800 -0.030 0.000 1.026 253 D HN 0.225 nan 8.370 nan 0.000 0.515 254 P HA -0.053 nan 4.420 nan 0.000 0.225 254 P C 0.071 177.365 177.300 -0.010 0.000 1.148 254 P CA 0.761 63.853 63.100 -0.013 0.000 0.779 254 P CB 0.512 32.206 31.700 -0.010 0.000 0.780 255 D N -0.842 119.554 120.400 -0.008 0.000 2.368 255 D HA 0.023 4.663 4.640 -0.001 0.000 0.218 255 D C 0.819 177.119 176.300 0.001 0.000 1.112 255 D CA -0.067 53.932 54.000 -0.002 0.000 0.834 255 D CB -0.052 40.749 40.800 0.000 0.000 0.953 255 D HN 0.303 nan 8.370 nan 0.000 0.505 256 Q N 1.193 120.990 119.800 -0.006 0.000 2.304 256 Q HA -0.001 4.338 4.340 -0.001 0.000 0.315 256 Q C -0.417 175.584 176.000 0.002 0.000 1.075 256 Q CA 0.554 56.354 55.803 -0.005 0.000 0.988 256 Q CB 0.551 29.275 28.738 -0.023 0.000 1.146 256 Q HN -0.106 nan 8.270 nan 0.000 0.383 257 S N 2.323 118.033 115.700 0.016 0.000 2.503 257 S HA 0.166 4.636 4.470 -0.001 0.000 0.301 257 S C 0.421 175.031 174.600 0.015 0.000 1.087 257 S CA -0.632 57.582 58.200 0.023 0.000 1.042 257 S CB 1.551 64.778 63.200 0.044 0.000 1.043 257 S HN 0.849 nan 8.310 nan 0.000 0.489 258 Q N 1.908 121.713 119.800 0.009 0.000 2.152 258 Q HA -0.046 4.294 4.340 -0.001 0.000 0.206 258 Q C -0.097 175.892 176.000 -0.018 0.000 0.985 258 Q CA 1.340 57.141 55.803 -0.003 0.000 0.863 258 Q CB -0.097 28.644 28.738 0.005 0.000 0.904 258 Q HN 0.562 nan 8.270 nan 0.000 0.422 259 L N -1.629 119.593 121.223 -0.002 0.000 2.341 259 L HA 0.359 4.699 4.340 -0.001 0.000 0.254 259 L C -0.803 176.107 176.870 0.067 0.000 1.040 259 L CA -1.476 53.347 54.840 -0.029 0.000 0.837 259 L CB 0.927 42.976 42.059 -0.016 0.000 1.425 259 L HN -0.068 nan 8.230 nan 0.000 0.414 260 Y N 0.702 121.011 120.300 0.015 0.000 2.683 260 Y HA 0.290 4.840 4.550 -0.001 0.000 0.340 260 Y C 1.325 177.232 175.900 0.013 0.000 1.245 260 Y CA 0.731 58.839 58.100 0.014 0.000 1.485 260 Y CB 0.152 38.622 38.460 0.017 0.000 1.328 260 Y HN 0.746 nan 8.280 nan 0.000 0.603 261 G N -0.055 108.847 108.800 0.170 0.000 2.231 261 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.206 261 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.206 261 G C 0.942 175.878 174.900 0.061 0.000 0.996 261 G CA 0.162 45.316 45.100 0.089 0.000 0.645 261 G HN 1.711 nan 8.290 nan 0.000 0.498 262 G N 0.113 108.953 108.800 0.068 0.000 2.179 262 G HA2 0.166 4.125 3.960 -0.001 0.000 0.257 262 G HA3 0.166 4.125 3.960 -0.001 0.000 0.257 262 G C 0.911 175.832 174.900 0.035 0.000 1.010 262 G CA 1.198 46.325 45.100 0.045 0.000 0.736 262 G HN 2.311 nan 8.290 nan 0.000 0.513 263 A N 0.633 123.477 122.820 0.039 0.000 2.483 263 A HA 0.590 4.910 4.320 -0.001 0.000 0.238 263 A C -0.475 177.126 177.584 0.028 0.000 1.070 263 A CA -0.049 52.008 52.037 0.033 0.000 0.770 263 A CB 0.258 19.280 19.000 0.036 0.000 1.008 263 A HN 0.388 nan 8.150 nan 0.000 0.497 264 P HA 0.140 nan 4.420 nan 0.000 0.272 264 P C 0.214 177.527 177.300 0.023 0.000 1.240 264 P CA -0.311 62.801 63.100 0.019 0.000 0.791 264 P CB 0.552 32.261 31.700 0.015 0.000 0.978 265 V N 2.053 121.977 119.914 0.018 0.000 2.681 265 V HA -0.062 4.057 4.120 -0.001 0.000 0.306 265 V C 0.332 176.444 176.094 0.029 0.000 1.077 265 V CA 0.403 62.715 62.300 0.020 0.000 1.224 265 V CB -0.703 31.128 31.823 0.013 0.000 0.879 265 V HN 0.634 nan 8.190 nan 0.000 0.494 266 N N 6.645 125.373 118.700 0.046 0.000 2.446 266 N HA 0.368 5.108 4.740 -0.001 0.000 0.265 266 N C 0.645 176.197 175.510 0.070 0.000 0.975 266 N CA -0.612 52.485 53.050 0.078 0.000 0.928 266 N CB 1.377 39.935 38.487 0.119 0.000 1.160 266 N HN 0.668 nan 8.380 nan 0.000 0.495 267 R N 2.810 123.317 120.500 0.013 0.000 2.240 267 R HA 0.049 4.388 4.340 -0.001 0.000 0.203 267 R C 0.986 177.304 176.300 0.030 0.000 1.011 267 R CA 0.401 56.519 56.100 0.030 0.000 1.007 267 R CB -0.283 30.097 30.300 0.134 0.000 0.911 267 R HN 0.522 nan 8.270 nan 0.000 0.468 268 F N 1.065 121.110 119.950 0.157 0.000 2.102 268 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 268 F C 2.352 178.183 175.800 0.052 0.000 1.105 268 F CA 1.020 59.088 58.000 0.112 0.000 1.239 268 F CB -0.672 38.367 39.000 0.066 0.000 0.991 268 F HN -0.133 nan 8.300 nan 0.000 0.474 269 I N -0.675 120.024 120.570 0.215 0.000 2.226 269 I HA -0.304 3.866 4.170 -0.001 0.000 0.245 269 I C 2.367 178.513 176.117 0.048 0.000 1.100 269 I CA 1.317 62.678 61.300 0.102 0.000 1.374 269 I CB -0.610 37.435 38.000 0.075 0.000 1.057 269 I HN 0.038 nan 8.210 nan 0.000 0.413 270 S N 0.203 115.928 115.700 0.043 0.000 2.402 270 S HA -0.132 4.338 4.470 -0.001 0.000 0.233 270 S C 1.659 176.250 174.600 -0.015 0.000 1.030 270 S CA 1.313 59.518 58.200 0.008 0.000 1.003 270 S CB -0.334 62.869 63.200 0.006 0.000 0.813 270 S HN 0.767 nan 8.310 nan 0.000 0.477 271 G N 0.637 109.437 108.800 -0.001 0.000 2.148 271 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.203 271 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.203 271 G C 0.224 175.072 174.900 -0.087 0.000 0.993 271 G CA 0.294 45.380 45.100 -0.023 0.000 0.661 271 G HN 0.441 nan 8.290 nan 0.000 0.518 272 D N -0.563 119.745 120.400 -0.155 0.000 2.327 272 D HA 0.260 4.899 4.640 -0.001 0.000 0.205 272 D C 0.605 176.453 176.300 -0.755 0.000 0.989 272 D CA 0.746 54.477 54.000 -0.447 0.000 0.873 272 D CB 0.249 40.725 40.800 -0.540 0.000 0.955 272 D HN 0.412 nan 8.370 nan 0.000 0.515 273 F N -0.191 119.688 119.950 -0.118 0.000 2.593 273 F HA 0.341 4.867 4.527 -0.001 0.000 0.320 273 F C 0.391 176.277 175.800 0.144 0.000 1.060 273 F CA -0.940 57.008 58.000 -0.088 0.000 0.940 273 F CB 1.684 40.461 39.000 -0.372 0.000 1.268 273 F HN -0.515 nan 8.300 nan 0.000 0.475 274 T N 3.216 117.999 114.554 0.381 0.000 2.733 274 T HA 0.375 4.725 4.350 -0.001 0.000 0.294 274 T C -0.549 174.380 174.700 0.381 0.000 0.956 274 T CA -0.365 61.918 62.100 0.304 0.000 0.987 274 T CB 0.634 69.599 68.868 0.163 0.000 0.920 274 T HN 0.383 nan 8.240 nan 0.000 0.470 275 L N 4.230 125.587 121.223 0.223 0.000 2.416 275 L HA 0.279 4.619 4.340 -0.001 0.000 0.272 275 L C 0.590 177.416 176.870 -0.073 0.000 1.161 275 L CA -0.041 54.698 54.840 -0.168 0.000 0.845 275 L CB 0.400 42.181 42.059 -0.464 0.000 1.119 275 L HN 0.529 nan 8.230 nan 0.000 0.464 285 L N 3.527 124.748 121.223 -0.002 0.000 2.382 285 L HA 0.245 4.585 4.340 -0.001 0.000 0.259 285 L C 0.559 177.430 176.870 0.003 0.000 1.291 285 L CA 0.154 54.992 54.840 -0.005 0.000 1.176 285 L CB -1.064 40.999 42.059 0.006 0.000 1.373 285 L HN 0.415 nan 8.230 nan 0.000 0.426 286 N N 1.014 119.712 118.700 -0.004 0.000 2.620 286 N HA 0.138 4.877 4.740 -0.001 0.000 0.307 286 N C 0.656 176.165 175.510 -0.002 0.000 1.316 286 N CA -0.038 53.014 53.050 0.004 0.000 0.931 286 N CB -0.026 38.462 38.487 0.002 0.000 1.116 286 N HN 0.484 nan 8.380 nan 0.000 0.573 287 Q N -0.313 119.491 119.800 0.006 0.000 2.033 287 Q HA 0.073 4.413 4.340 -0.001 0.000 0.196 287 Q C 1.674 177.667 176.000 -0.012 0.000 0.970 287 Q CA 0.520 56.328 55.803 0.007 0.000 0.828 287 Q CB -0.263 28.490 28.738 0.025 0.000 0.895 287 Q HN 0.442 nan 8.270 nan 0.000 0.440 288 R N 1.243 121.735 120.500 -0.014 0.000 2.133 288 R HA -0.202 4.137 4.340 -0.001 0.000 0.245 288 R C 2.450 178.726 176.300 -0.039 0.000 1.137 288 R CA 2.128 58.213 56.100 -0.025 0.000 0.947 288 R CB -0.440 29.846 30.300 -0.023 0.000 0.865 288 R HN 0.322 nan 8.270 nan 0.000 0.437 289 K N 0.793 121.168 120.400 -0.042 0.000 2.057 289 K HA -0.180 4.140 4.320 -0.001 0.000 0.207 289 K C 2.131 178.682 176.600 -0.083 0.000 1.049 289 K CA 1.211 57.463 56.287 -0.058 0.000 0.931 289 K CB -0.167 32.304 32.500 -0.049 0.000 0.714 289 K HN 0.037 nan 8.250 nan 0.000 0.440 290 L N 0.978 122.147 121.223 -0.091 0.000 2.012 290 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 290 L C 2.001 178.796 176.870 -0.126 0.000 1.073 290 L CA 1.548 56.296 54.840 -0.153 0.000 0.748 290 L CB -0.475 41.488 42.059 -0.160 0.000 0.891 290 L HN 0.028 nan 8.230 nan 0.000 0.431 291 V N 0.096 119.971 119.914 -0.066 0.000 2.295 291 V HA -0.287 3.833 4.120 -0.001 0.000 0.246 291 V C 2.822 178.886 176.094 -0.050 0.000 1.049 291 V CA 1.631 63.913 62.300 -0.030 0.000 1.024 291 V CB -1.506 30.321 31.823 0.007 0.000 0.648 291 V HN 0.629 nan 8.190 nan 0.000 0.447 292 A N 0.009 122.784 122.820 -0.074 0.000 1.884 292 A HA -0.310 4.010 4.320 -0.001 0.000 0.219 292 A C 2.372 179.879 177.584 -0.128 0.000 1.197 292 A CA 2.388 54.356 52.037 -0.115 0.000 0.637 292 A CB -0.656 18.280 19.000 -0.107 0.000 0.827 292 A HN 0.494 nan 8.150 nan 0.000 0.450 293 R N -1.485 118.948 120.500 -0.112 0.000 2.094 293 R HA -0.210 4.130 4.340 -0.001 0.000 0.239 293 R C 2.510 178.798 176.300 -0.019 0.000 1.137 293 R CA 1.946 57.984 56.100 -0.104 0.000 0.943 293 R CB -0.317 29.919 30.300 -0.107 0.000 0.850 293 R HN 0.447 nan 8.270 nan 0.000 0.433 294 R N 0.787 121.256 120.500 -0.052 0.000 2.096 294 R HA -0.032 4.308 4.340 -0.001 0.000 0.235 294 R C 1.888 178.228 176.300 0.067 0.000 1.127 294 R CA 1.754 57.824 56.100 -0.051 0.000 0.968 294 R CB -0.666 29.544 30.300 -0.149 0.000 0.861 294 R HN 0.280 nan 8.270 nan 0.000 0.440 295 A N 0.296 123.134 122.820 0.029 0.000 1.972 295 A HA -0.100 4.219 4.320 -0.001 0.000 0.219 295 A C 2.020 179.648 177.584 0.073 0.000 1.169 295 A CA 1.327 53.423 52.037 0.099 0.000 0.635 295 A CB -0.586 18.413 19.000 -0.002 0.000 0.810 295 A HN 0.362 nan 8.150 nan 0.000 0.446 296 L N -1.631 119.528 121.223 -0.107 0.000 2.131 296 L HA -0.031 4.309 4.340 -0.001 0.000 0.210 296 L C 1.996 178.752 176.870 -0.191 0.000 1.092 296 L CA 1.611 56.302 54.840 -0.248 0.000 0.759 296 L CB -0.668 41.128 42.059 -0.438 0.000 0.903 296 L HN 0.352 nan 8.230 nan 0.000 0.435 297 F N 0.146 119.947 119.950 -0.248 0.000 2.250 297 F HA -0.194 4.332 4.527 -0.000 0.000 0.301 297 F C 2.367 178.209 175.800 0.070 0.000 1.077 297 F CA 1.261 59.250 58.000 -0.019 0.000 1.348 297 F CB -0.350 38.655 39.000 0.008 0.000 1.040 297 F HN 0.186 nan 8.300 nan 0.000 0.509 298 E N -0.597 119.733 120.200 0.216 0.000 2.427 298 E HA -0.089 4.261 4.350 -0.001 0.000 0.196 298 E C 0.897 177.530 176.600 0.056 0.000 1.028 298 E CA 0.235 56.711 56.400 0.127 0.000 0.864 298 E CB -0.274 29.482 29.700 0.093 0.000 0.813 298 E HN 0.266 nan 8.360 nan 0.000 0.514 299 M N 1.449 121.070 119.600 0.035 0.000 2.255 299 M HA 0.147 4.627 4.480 -0.001 0.000 0.336 299 M C 0.090 176.351 176.300 -0.065 0.000 1.135 299 M CA -0.151 55.086 55.300 -0.106 0.000 1.145 299 M CB 0.709 33.069 32.600 -0.400 0.000 1.473 299 M HN -0.108 nan 8.290 nan 0.000 0.462 300 R N 1.816 122.267 120.500 -0.083 0.000 2.855 300 R HA 0.598 4.938 4.340 -0.001 0.000 0.266 300 R C -1.115 175.201 176.300 0.027 0.000 1.034 300 R CA -1.143 54.945 56.100 -0.019 0.000 0.944 300 R CB 0.946 31.245 30.300 -0.001 0.000 1.219 300 R HN 0.579 nan 8.270 nan 0.000 0.474 301 K N 0.157 120.591 120.400 0.055 0.000 2.448 301 K HA 0.160 4.479 4.320 -0.001 0.000 0.278 301 K C 0.599 177.256 176.600 0.095 0.000 1.009 301 K CA 1.324 57.672 56.287 0.101 0.000 0.995 301 K CB 0.602 33.137 32.500 0.059 0.000 0.917 301 K HN 0.918 nan 8.250 nan 0.000 0.481 302 G N 1.006 109.883 108.800 0.129 0.000 2.162 302 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.260 302 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.260 302 G C 0.117 175.086 174.900 0.115 0.000 0.976 302 G CA 0.242 45.405 45.100 0.104 0.000 0.655 302 G HN 0.812 nan 8.290 nan 0.000 0.533 303 A N -0.491 122.414 122.820 0.142 0.000 2.316 303 A HA 0.757 5.076 4.320 -0.001 0.000 0.284 303 A C 0.277 177.969 177.584 0.179 0.000 1.115 303 A CA -0.017 52.093 52.037 0.122 0.000 0.812 303 A CB 1.446 20.482 19.000 0.060 0.000 1.064 303 A HN 1.104 nan 8.150 nan 0.000 0.489 304 V N 2.359 122.368 119.914 0.160 0.000 2.350 304 V HA 0.619 4.739 4.120 -0.001 0.000 0.276 304 V C 0.869 177.067 176.094 0.173 0.000 1.028 304 V CA 0.356 62.779 62.300 0.206 0.000 0.860 304 V CB 0.772 32.764 31.823 0.281 0.000 0.990 304 V HN 1.169 nan 8.190 nan 0.000 0.453 305 G N 3.455 112.378 108.800 0.205 0.000 3.013 305 G HA2 0.609 4.569 3.960 -0.001 0.000 0.278 305 G HA3 0.609 4.569 3.960 -0.001 0.000 0.278 305 G C -1.136 173.865 174.900 0.169 0.000 1.353 305 G CA -0.662 44.536 45.100 0.163 0.000 1.043 305 G HN 0.635 nan 8.290 nan 0.000 0.523 306 N N -0.823 117.964 118.700 0.146 0.000 2.455 306 N HA 0.286 5.026 4.740 -0.001 0.000 0.285 306 N C -1.887 173.741 175.510 0.196 0.000 1.080 306 N CA -0.311 52.806 53.050 0.111 0.000 0.932 306 N CB 2.345 40.793 38.487 -0.066 0.000 1.610 306 N HN 0.263 nan 8.380 nan 0.000 0.493 307 V N 1.961 121.970 119.914 0.159 0.000 2.394 307 V HA 0.626 4.746 4.120 -0.001 0.000 0.282 307 V C 1.295 177.445 176.094 0.093 0.000 1.031 307 V CA -0.505 61.872 62.300 0.128 0.000 0.881 307 V CB 1.139 32.975 31.823 0.021 0.000 0.982 307 V HN 0.720 nan 8.190 nan 0.000 0.451 308 G N 2.946 111.810 108.800 0.106 0.000 2.562 308 G HA2 0.468 4.428 3.960 -0.001 0.000 0.275 308 G HA3 0.468 4.428 3.960 -0.001 0.000 0.275 308 G C -0.305 174.649 174.900 0.089 0.000 1.196 308 G CA -0.568 44.597 45.100 0.109 0.000 0.908 308 G HN 0.617 nan 8.290 nan 0.000 0.524 309 V N 1.310 121.284 119.914 0.101 0.000 2.450 309 V HA 0.528 4.648 4.120 -0.001 0.000 0.281 309 V C 1.159 177.299 176.094 0.076 0.000 1.019 309 V CA 1.164 63.511 62.300 0.078 0.000 1.062 309 V CB -0.550 31.320 31.823 0.078 0.000 0.979 309 V HN 1.644 nan 8.190 nan 0.000 0.477 310 G N 3.692 112.519 108.800 0.045 0.000 2.280 310 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.277 310 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.277 310 G C 0.338 175.239 174.900 0.002 0.000 1.288 310 G CA -0.279 44.836 45.100 0.023 0.000 1.075 310 G HN 0.659 nan 8.290 nan 0.000 0.480 311 I N 1.159 121.716 120.570 -0.022 0.000 2.479 311 I HA -0.133 4.036 4.170 -0.001 0.000 0.258 311 I C 2.662 178.761 176.117 -0.030 0.000 1.165 311 I CA 2.589 63.869 61.300 -0.034 0.000 1.422 311 I CB -0.215 37.746 38.000 -0.064 0.000 1.087 311 I HN 0.768 nan 8.210 nan 0.000 0.441 312 A N 0.984 123.795 122.820 -0.015 0.000 1.970 312 A HA -0.219 4.101 4.320 -0.001 0.000 0.216 312 A C 1.739 179.278 177.584 -0.075 0.000 1.170 312 A CA 1.397 53.408 52.037 -0.043 0.000 0.645 312 A CB -0.662 18.346 19.000 0.013 0.000 0.816 312 A HN 0.676 nan 8.150 nan 0.000 0.447 313 D N 0.004 120.384 120.400 -0.035 0.000 2.292 313 D HA -0.114 4.526 4.640 -0.001 0.000 0.205 313 D C 1.422 177.693 176.300 -0.048 0.000 0.994 313 D CA 1.423 55.404 54.000 -0.030 0.000 0.897 313 D CB -1.006 39.789 40.800 -0.008 0.000 0.907 313 D HN 0.322 nan 8.370 nan 0.000 0.467 314 G N -0.410 108.353 108.800 -0.061 0.000 2.920 314 G HA2 0.040 3.999 3.960 -0.001 0.000 0.208 314 G HA3 0.040 3.999 3.960 -0.001 0.000 0.208 314 G C 1.535 176.385 174.900 -0.083 0.000 1.159 314 G CA 0.111 45.174 45.100 -0.062 0.000 0.784 314 G HN 0.344 nan 8.290 nan 0.000 0.535 315 I N 1.434 121.927 120.570 -0.128 0.000 2.151 315 I HA -0.172 3.998 4.170 -0.001 0.000 0.243 315 I C 3.040 179.123 176.117 -0.056 0.000 1.080 315 I CA 1.303 62.505 61.300 -0.164 0.000 1.339 315 I CB -0.277 37.518 38.000 -0.342 0.000 1.039 315 I HN 0.231 nan 8.210 nan 0.000 0.409 316 G N 0.873 109.660 108.800 -0.021 0.000 2.440 316 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.218 316 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.218 316 G C 1.701 176.598 174.900 -0.005 0.000 1.154 316 G CA 0.649 45.758 45.100 0.015 0.000 0.767 316 G HN 0.282 nan 8.290 nan 0.000 0.552 317 L N 0.190 121.398 121.223 -0.024 0.000 2.083 317 L HA -0.082 4.258 4.340 -0.001 0.000 0.209 317 L C 2.998 179.853 176.870 -0.024 0.000 1.083 317 L CA 0.453 55.277 54.840 -0.027 0.000 0.752 317 L CB -0.363 41.677 42.059 -0.032 0.000 0.899 317 L HN 0.103 nan 8.230 nan 0.000 0.433 318 V N -0.200 119.693 119.914 -0.035 0.000 2.358 318 V HA -0.268 3.852 4.120 -0.001 0.000 0.246 318 V C 2.727 178.812 176.094 -0.015 0.000 1.047 318 V CA 1.722 63.994 62.300 -0.046 0.000 1.035 318 V CB -0.961 30.805 31.823 -0.095 0.000 0.658 318 V HN 0.477 nan 8.190 nan 0.000 0.452 319 A N 0.040 122.878 122.820 0.030 0.000 1.902 319 A HA -0.234 4.086 4.320 -0.001 0.000 0.217 319 A C 2.387 180.013 177.584 0.069 0.000 1.181 319 A CA 1.892 54.002 52.037 0.121 0.000 0.623 319 A CB -0.497 18.679 19.000 0.293 0.000 0.818 319 A HN 0.500 nan 8.150 nan 0.000 0.443 320 R N -0.763 119.748 120.500 0.018 0.000 2.073 320 R HA -0.150 4.189 4.340 -0.001 0.000 0.234 320 R C 2.343 178.646 176.300 0.004 0.000 1.134 320 R CA 1.561 57.657 56.100 -0.006 0.000 0.952 320 R CB -0.305 29.980 30.300 -0.025 0.000 0.850 320 R HN 0.762 nan 8.270 nan 0.000 0.433 321 E N 0.587 120.790 120.200 0.005 0.000 2.077 321 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 321 E C 1.176 177.792 176.600 0.027 0.000 0.989 321 E CA 0.981 57.386 56.400 0.008 0.000 0.800 321 E CB 0.248 29.947 29.700 -0.001 0.000 0.746 321 E HN 0.230 nan 8.360 nan 0.000 0.452 322 E N -0.598 119.631 120.200 0.049 0.000 2.511 322 E HA 0.001 4.351 4.350 -0.001 0.000 0.196 322 E C 0.962 177.616 176.600 0.091 0.000 1.066 322 E CA 0.710 57.166 56.400 0.092 0.000 0.871 322 E CB 0.380 30.179 29.700 0.165 0.000 0.863 322 E HN 0.446 nan 8.360 nan 0.000 0.520 323 G N 1.838 110.674 108.800 0.060 0.000 2.221 323 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.265 323 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.265 323 G C 0.872 175.803 174.900 0.052 0.000 1.041 323 G CA 0.544 45.667 45.100 0.039 0.000 0.807 323 G HN 0.465 nan 8.290 nan 0.000 0.502 324 C N -2.665 116.695 119.300 0.099 0.000 3.385 324 C HA 0.790 5.250 4.460 -0.001 0.000 0.288 324 C C 2.581 177.633 174.990 0.103 0.000 1.429 324 C CA 0.509 59.612 59.018 0.142 0.000 1.778 324 C CB -0.091 27.799 27.740 0.251 0.000 2.503 324 C HN 1.400 nan 8.230 nan 0.000 0.646 325 A N 1.790 124.593 122.820 -0.029 0.000 1.986 325 A HA -0.168 4.152 4.320 -0.001 0.000 0.220 325 A C 1.734 179.041 177.584 -0.460 0.000 1.171 325 A CA 2.386 54.244 52.037 -0.298 0.000 0.640 325 A CB -0.521 18.371 19.000 -0.180 0.000 0.811 325 A HN 0.625 nan 8.150 nan 0.000 0.451 326 D N -0.147 120.115 120.400 -0.230 0.000 2.347 326 D HA -0.036 4.604 4.640 -0.001 0.000 0.215 326 D C 0.570 176.781 176.300 -0.148 0.000 0.976 326 D CA 0.632 54.521 54.000 -0.185 0.000 0.884 326 D CB -0.209 40.534 40.800 -0.095 0.000 0.915 326 D HN 0.368 nan 8.370 nan 0.000 0.526 327 D N -0.377 119.964 120.400 -0.098 0.000 2.347 327 D HA 0.040 4.680 4.640 -0.001 0.000 0.213 327 D C 0.596 177.009 176.300 0.187 0.000 0.985 327 D CA 0.280 54.323 54.000 0.071 0.000 0.879 327 D CB 0.298 41.197 40.800 0.164 0.000 0.919 327 D HN 0.316 nan 8.370 nan 0.000 0.526 328 F N -1.311 118.656 119.950 0.028 0.000 2.754 328 F HA 0.607 5.134 4.527 -0.000 0.000 0.320 328 F C -1.395 174.425 175.800 0.034 0.000 1.156 328 F CA -1.715 56.308 58.000 0.038 0.000 0.950 328 F CB 1.125 40.160 39.000 0.057 0.000 1.388 328 F HN -0.320 nan 8.300 nan 0.000 0.485 329 I N 2.032 122.730 120.570 0.213 0.000 2.499 329 I HA 0.541 4.711 4.170 -0.001 0.000 0.288 329 I C -1.679 174.557 176.117 0.199 0.000 1.048 329 I CA -0.915 60.435 61.300 0.082 0.000 1.062 329 I CB 1.798 39.827 38.000 0.048 0.000 1.238 329 I HN 0.634 nan 8.210 nan 0.000 0.426 330 L N 6.986 128.287 121.223 0.130 0.000 2.282 330 L HA 0.578 4.918 4.340 -0.001 0.000 0.288 330 L C 0.158 177.093 176.870 0.107 0.000 1.033 330 L CA -0.582 54.358 54.840 0.166 0.000 0.807 330 L CB 1.587 43.746 42.059 0.167 0.000 1.209 330 L HN 0.660 nan 8.230 nan 0.000 0.423 331 T N 0.114 114.755 114.554 0.145 0.000 2.943 331 T HA 0.692 5.041 4.350 -0.001 0.000 0.284 331 T C -0.283 174.502 174.700 0.141 0.000 1.015 331 T CA -0.759 61.421 62.100 0.132 0.000 1.042 331 T CB 2.058 71.051 68.868 0.209 0.000 1.055 331 T HN 0.178 nan 8.240 nan 0.000 0.500 332 V N 1.924 121.890 119.914 0.087 0.000 2.459 332 V HA 0.609 4.729 4.120 -0.001 0.000 0.295 332 V C 1.686 177.810 176.094 0.050 0.000 1.029 332 V CA -0.093 62.249 62.300 0.069 0.000 0.874 332 V CB 0.597 32.430 31.823 0.017 0.000 0.985 332 V HN 1.199 nan 8.190 nan 0.000 0.438 333 E N 2.286 122.542 120.200 0.094 0.000 2.219 333 E HA -0.241 4.109 4.350 -0.001 0.000 0.198 333 E C 1.836 178.288 176.600 -0.246 0.000 0.998 333 E CA 1.968 58.357 56.400 -0.019 0.000 0.818 333 E CB -0.601 29.186 29.700 0.144 0.000 0.741 333 E HN 0.995 nan 8.360 nan 0.000 0.477 334 T N -4.872 109.643 114.554 -0.065 0.000 3.113 334 T HA 0.430 4.779 4.350 -0.001 0.000 0.256 334 T C 1.765 176.416 174.700 -0.082 0.000 1.131 334 T CA 1.068 63.150 62.100 -0.031 0.000 1.074 334 T CB 0.663 69.541 68.868 0.018 0.000 0.944 334 T HN 1.227 nan 8.240 nan 0.000 0.516 335 G N 1.005 109.728 108.800 -0.129 0.000 3.134 335 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.195 335 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.195 335 G C -2.674 172.153 174.900 -0.121 0.000 1.054 335 G CA -0.709 44.309 45.100 -0.136 0.000 0.828 335 G HN 0.475 nan 8.290 nan 0.000 0.462 336 P HA 0.461 nan 4.420 nan 0.000 0.265 336 P C -0.238 177.022 177.300 -0.067 0.000 1.193 336 P CA 0.534 63.579 63.100 -0.091 0.000 0.765 336 P CB 0.747 32.401 31.700 -0.076 0.000 0.823 337 I N 2.634 123.162 120.570 -0.070 0.000 2.389 337 I HA 0.544 4.714 4.170 -0.001 0.000 0.288 337 I C 0.868 176.956 176.117 -0.047 0.000 0.999 337 I CA 0.003 61.269 61.300 -0.057 0.000 1.129 337 I CB 1.170 39.118 38.000 -0.088 0.000 1.288 337 I HN 0.590 nan 8.210 nan 0.000 0.444 338 G N 4.039 112.820 108.800 -0.031 0.000 2.741 338 G HA2 0.319 4.278 3.960 -0.001 0.000 0.222 338 G HA3 0.319 4.278 3.960 -0.001 0.000 0.222 338 G C -0.048 174.825 174.900 -0.044 0.000 1.364 338 G CA -0.302 44.771 45.100 -0.044 0.000 0.866 338 G HN 1.636 nan 8.290 nan 0.000 0.555 339 G N -2.095 106.673 108.800 -0.053 0.000 2.555 339 G HA2 0.547 4.507 3.960 -0.001 0.000 0.686 339 G HA3 0.547 4.507 3.960 -0.001 0.000 0.686 339 G C -0.259 174.612 174.900 -0.048 0.000 1.275 339 G CA 0.189 45.263 45.100 -0.044 0.000 0.871 339 G HN 2.434 nan 8.290 nan 0.000 0.603 340 I N -2.919 117.625 120.570 -0.044 0.000 3.170 340 I HA 0.944 5.114 4.170 -0.001 0.000 0.312 340 I C 0.284 176.376 176.117 -0.042 0.000 1.085 340 I CA -1.056 60.215 61.300 -0.048 0.000 0.999 340 I CB 1.930 39.895 38.000 -0.058 0.000 1.233 340 I HN 0.633 nan 8.210 nan 0.000 0.467 350 N N 0.028 118.720 118.700 -0.013 0.000 2.483 350 N HA 0.609 5.349 4.740 -0.001 0.000 0.269 350 N C 0.199 175.711 175.510 0.002 0.000 1.209 350 N CA -0.157 52.885 53.050 -0.013 0.000 0.969 350 N CB 1.671 40.145 38.487 -0.021 0.000 1.173 350 N HN 0.856 nan 8.380 nan 0.000 0.475 351 V N -1.147 118.771 119.914 0.005 0.000 3.158 351 V HA 0.519 4.639 4.120 -0.001 0.000 0.315 351 V C -0.014 176.093 176.094 0.021 0.000 1.148 351 V CA -0.970 61.355 62.300 0.042 0.000 1.042 351 V CB 1.732 33.596 31.823 0.067 0.000 1.101 351 V HN 0.790 nan 8.190 nan 0.000 0.448 352 N N 0.041 118.771 118.700 0.051 0.000 2.725 352 N HA -0.162 4.578 4.740 -0.001 0.000 0.249 352 N C 0.405 175.910 175.510 -0.008 0.000 1.103 352 N CA 1.413 54.478 53.050 0.024 0.000 0.707 352 N CB -2.151 36.340 38.487 0.007 0.000 1.043 352 N HN 1.426 nan 8.380 nan 0.000 0.553 353 T N -2.829 111.716 114.554 -0.014 0.000 2.855 353 T HA 0.238 4.588 4.350 -0.001 0.000 0.314 353 T C 1.418 176.095 174.700 -0.039 0.000 1.077 353 T CA -0.169 61.911 62.100 -0.034 0.000 1.095 353 T CB 1.389 70.229 68.868 -0.046 0.000 0.987 353 T HN 0.056 nan 8.240 nan 0.000 0.546 354 R N 0.864 121.336 120.500 -0.048 0.000 2.237 354 R HA 0.513 4.853 4.340 -0.001 0.000 0.195 354 R C 0.689 176.957 176.300 -0.053 0.000 0.956 354 R CA 0.611 56.682 56.100 -0.049 0.000 1.029 354 R CB -0.363 29.905 30.300 -0.053 0.000 0.972 354 R HN 0.895 nan 8.270 nan 0.000 0.493 355 A N 0.475 123.259 122.820 -0.060 0.000 2.597 355 A HA 0.654 4.974 4.320 -0.001 0.000 0.292 355 A C -1.547 175.994 177.584 -0.071 0.000 1.057 355 A CA -0.658 51.344 52.037 -0.059 0.000 0.674 355 A CB 1.119 20.076 19.000 -0.071 0.000 1.278 355 A HN 0.064 nan 8.150 nan 0.000 0.416 356 I N 1.502 122.040 120.570 -0.052 0.000 2.468 356 I HA 0.367 4.536 4.170 -0.001 0.000 0.285 356 I C -0.679 175.468 176.117 0.049 0.000 1.039 356 I CA -0.190 61.062 61.300 -0.081 0.000 1.074 356 I CB 1.616 39.460 38.000 -0.259 0.000 1.228 356 I HN 0.532 nan 8.210 nan 0.000 0.436 357 L N 4.798 126.016 121.223 -0.009 0.000 2.399 357 L HA 0.394 4.734 4.340 -0.001 0.000 0.265 357 L C 0.251 177.169 176.870 0.079 0.000 1.089 357 L CA -0.901 53.946 54.840 0.012 0.000 0.802 357 L CB 0.933 42.929 42.059 -0.105 0.000 1.180 357 L HN 0.628 nan 8.230 nan 0.000 0.454 358 D N 1.400 121.836 120.400 0.061 0.000 2.400 358 D HA -0.103 4.537 4.640 -0.001 0.000 0.238 358 D C 0.828 177.117 176.300 -0.017 0.000 1.157 358 D CA -0.262 53.759 54.000 0.035 0.000 0.889 358 D CB 1.340 42.110 40.800 -0.050 0.000 1.199 358 D HN 0.624 nan 8.370 nan 0.000 0.436 359 M N 1.455 121.062 119.600 0.012 0.000 2.117 359 M HA -0.192 4.287 4.480 -0.001 0.000 0.262 359 M C 1.667 178.007 176.300 0.066 0.000 1.065 359 M CA 1.694 57.004 55.300 0.018 0.000 1.114 359 M CB -0.134 32.539 32.600 0.122 0.000 1.361 359 M HN 0.518 nan 8.290 nan 0.000 0.408 360 T N 0.082 114.685 114.554 0.082 0.000 2.708 360 T HA -0.104 4.246 4.350 -0.001 0.000 0.266 360 T C 1.799 176.515 174.700 0.027 0.000 1.037 360 T CA 1.838 63.997 62.100 0.099 0.000 1.146 360 T CB -0.377 68.517 68.868 0.043 0.000 0.865 360 T HN 0.455 nan 8.240 nan 0.000 0.435 361 S N 1.319 116.999 115.700 -0.034 0.000 2.399 361 S HA -0.165 4.305 4.470 -0.001 0.000 0.231 361 S C 2.155 176.676 174.600 -0.132 0.000 1.022 361 S CA 1.162 59.321 58.200 -0.067 0.000 0.983 361 S CB -0.364 62.789 63.200 -0.077 0.000 0.803 361 S HN 0.415 nan 8.310 nan 0.000 0.480 362 Q N 0.479 120.135 119.800 -0.240 0.000 2.084 362 Q HA -0.034 4.306 4.340 -0.001 0.000 0.202 362 Q C 1.531 177.118 176.000 -0.689 0.000 0.978 362 Q CA 1.579 57.079 55.803 -0.506 0.000 0.844 362 Q CB -0.369 27.980 28.738 -0.649 0.000 0.898 362 Q HN 0.517 nan 8.270 nan 0.000 0.426 363 F N 0.593 120.325 119.950 -0.363 0.000 2.206 363 F HA -0.107 4.419 4.527 -0.001 0.000 0.298 363 F C 1.828 177.368 175.800 -0.434 0.000 1.090 363 F CA 1.146 58.920 58.000 -0.377 0.000 1.323 363 F CB -0.372 38.435 39.000 -0.321 0.000 1.028 363 F HN 0.133 nan 8.300 nan 0.000 0.492 364 D N -0.053 120.290 120.400 -0.095 0.000 2.126 364 D HA -0.273 4.367 4.640 -0.001 0.000 0.190 364 D C 2.126 178.461 176.300 0.060 0.000 1.001 364 D CA 1.485 55.469 54.000 -0.026 0.000 0.841 364 D CB -0.912 39.894 40.800 0.009 0.000 0.949 364 D HN 0.246 nan 8.370 nan 0.000 0.446 365 F N 0.676 120.558 119.950 -0.112 0.000 2.126 365 F HA -0.277 4.250 4.527 -0.000 0.000 0.299 365 F C 2.121 177.984 175.800 0.104 0.000 1.096 365 F CA 1.277 59.244 58.000 -0.054 0.000 1.255 365 F CB -0.360 38.547 39.000 -0.155 0.000 0.997 365 F HN -0.059 nan 8.300 nan 0.000 0.479 366 Y N -0.100 120.175 120.300 -0.041 0.000 2.200 366 Y HA -0.158 4.392 4.550 -0.000 0.000 0.290 366 Y C 2.791 178.729 175.900 0.064 0.000 1.137 366 Y CA 1.472 59.535 58.100 -0.061 0.000 1.163 366 Y CB -1.585 36.941 38.460 0.110 0.000 0.988 366 Y HN 0.308 nan 8.280 nan 0.000 0.518 367 H N -1.717 117.463 119.070 0.184 0.000 2.387 367 H HA -0.060 4.495 4.556 -0.000 0.000 0.299 367 H C 1.988 177.340 175.328 0.039 0.000 1.090 367 H CA 0.552 56.667 56.048 0.112 0.000 1.332 367 H CB -0.186 29.643 29.762 0.111 0.000 1.386 367 H HN 0.312 nan 8.280 nan 0.000 0.516 368 G N -0.354 108.524 108.800 0.129 0.000 3.279 368 G HA2 0.222 4.182 3.960 -0.001 0.000 0.230 368 G HA3 0.222 4.182 3.960 -0.001 0.000 0.230 368 G C 0.858 175.733 174.900 -0.041 0.000 1.230 368 G CA 0.320 45.444 45.100 0.040 0.000 0.891 368 G HN 0.571 nan 8.290 nan 0.000 0.518 369 G N -0.826 107.935 108.800 -0.064 0.000 2.225 369 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.264 369 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.264 369 G C 1.173 175.933 174.900 -0.233 0.000 1.060 369 G CA 0.297 45.330 45.100 -0.112 0.000 0.833 369 G HN 0.932 nan 8.290 nan 0.000 0.498 370 G N -0.579 107.916 108.800 -0.508 0.000 2.421 370 G HA2 0.219 4.179 3.960 -0.001 0.000 0.217 370 G HA3 0.219 4.179 3.960 -0.001 0.000 0.217 370 G C 0.961 175.592 174.900 -0.448 0.000 1.143 370 G CA 0.494 45.017 45.100 -0.963 0.000 0.784 370 G HN 0.673 nan 8.290 nan 0.000 0.541 371 L N 1.506 122.564 121.223 -0.275 0.000 2.360 371 L HA 0.187 4.527 4.340 -0.001 0.000 0.276 371 L C 0.713 177.524 176.870 -0.099 0.000 1.121 371 L CA -0.638 54.142 54.840 -0.099 0.000 0.845 371 L CB 1.124 43.078 42.059 -0.174 0.000 1.143 371 L HN 0.043 nan 8.230 nan 0.000 0.452 372 D N 1.925 122.299 120.400 -0.043 0.000 2.162 372 D HA 0.022 4.662 4.640 -0.001 0.000 0.203 372 D C 0.200 176.424 176.300 -0.127 0.000 0.967 372 D CA 1.176 55.140 54.000 -0.060 0.000 0.840 372 D CB 0.553 41.346 40.800 -0.011 0.000 0.972 372 D HN 0.205 nan 8.370 nan 0.000 0.482 373 V N 1.105 120.919 119.914 -0.166 0.000 2.686 373 V HA 0.329 4.449 4.120 -0.001 0.000 0.306 373 V C -0.092 175.755 176.094 -0.412 0.000 1.065 373 V CA -1.157 60.945 62.300 -0.329 0.000 0.894 373 V CB 2.262 33.876 31.823 -0.348 0.000 1.004 373 V HN 0.310 nan 8.190 nan 0.000 0.424 374 C N 2.997 121.958 119.300 -0.565 0.000 2.634 374 C HA 0.891 5.351 4.460 -0.001 0.000 0.313 374 C C -1.264 173.310 174.990 -0.693 0.000 1.198 374 C CA -0.873 57.836 59.018 -0.515 0.000 1.605 374 C CB 1.057 28.552 27.740 -0.409 0.000 2.196 374 C HN 0.768 nan 8.230 nan 0.000 0.486 375 Y N 2.309 122.489 120.300 -0.200 0.000 2.326 375 Y HA 0.750 5.299 4.550 -0.001 0.000 0.331 375 Y C 0.032 175.866 175.900 -0.109 0.000 0.962 375 Y CA -0.615 57.390 58.100 -0.158 0.000 1.167 375 Y CB 1.218 39.627 38.460 -0.084 0.000 1.148 375 Y HN 0.644 nan 8.280 nan 0.000 0.463 376 L N 1.830 123.060 121.223 0.011 0.000 2.354 376 L HA 0.598 4.938 4.340 -0.001 0.000 0.264 376 L C -0.051 177.019 176.870 0.333 0.000 1.008 376 L CA -0.831 54.113 54.840 0.174 0.000 0.819 376 L CB 2.338 44.478 42.059 0.134 0.000 1.339 376 L HN 0.487 nan 8.230 nan 0.000 0.420 377 S N 0.964 116.855 115.700 0.318 0.000 2.632 377 S HA 0.654 5.124 4.470 -0.001 0.000 0.267 377 S C -0.789 173.989 174.600 0.296 0.000 1.276 377 S CA -0.353 57.946 58.200 0.165 0.000 0.998 377 S CB 0.811 64.031 63.200 0.032 0.000 0.953 377 S HN 0.363 nan 8.310 nan 0.000 0.547 378 F N -1.371 118.643 119.950 0.107 0.000 2.565 378 F HA 0.835 5.361 4.527 -0.000 0.000 0.313 378 F C 0.262 175.955 175.800 -0.178 0.000 1.091 378 F CA -1.284 56.691 58.000 -0.042 0.000 0.915 378 F CB 0.929 39.881 39.000 -0.079 0.000 1.208 378 F HN 0.527 nan 8.300 nan 0.000 0.453 379 A N 1.387 124.157 122.820 -0.084 0.000 1.901 379 A HA 0.345 4.664 4.320 -0.001 0.000 0.210 379 A C 0.251 177.794 177.584 -0.068 0.000 1.208 379 A CA 0.596 52.462 52.037 -0.286 0.000 0.644 379 A CB -0.222 18.415 19.000 -0.606 0.000 0.863 379 A HN 0.823 nan 8.150 nan 0.000 0.454 380 E N -1.144 119.025 120.200 -0.052 0.000 2.367 380 E HA 0.588 4.938 4.350 -0.001 0.000 0.273 380 E C -1.828 174.596 176.600 -0.293 0.000 0.903 380 E CA -0.791 55.534 56.400 -0.126 0.000 0.764 380 E CB 2.617 32.258 29.700 -0.097 0.000 1.252 380 E HN 0.047 nan 8.360 nan 0.000 0.446 381 V N 1.388 120.975 119.914 -0.545 0.000 2.789 381 V HA 0.354 4.474 4.120 -0.001 0.000 0.311 381 V C -0.785 175.040 176.094 -0.448 0.000 1.073 381 V CA -0.884 61.004 62.300 -0.688 0.000 0.921 381 V CB 1.972 32.952 31.823 -1.406 0.000 1.009 381 V HN 0.830 nan 8.190 nan 0.000 0.426 382 D N 1.352 121.583 120.400 -0.281 0.000 2.525 382 D HA 0.286 4.926 4.640 -0.001 0.000 0.249 382 D C 0.850 177.050 176.300 -0.166 0.000 1.072 382 D CA -0.631 53.278 54.000 -0.152 0.000 1.067 382 D CB 1.121 41.909 40.800 -0.021 0.000 1.282 382 D HN 0.547 nan 8.370 nan 0.000 0.587 383 Q N -0.951 118.751 119.800 -0.163 0.000 2.297 383 Q HA -0.188 4.152 4.340 -0.001 0.000 0.208 383 Q C 0.752 176.551 176.000 -0.335 0.000 0.981 383 Q CA 1.371 57.008 55.803 -0.276 0.000 0.876 383 Q CB -0.485 28.055 28.738 -0.330 0.000 0.921 383 Q HN 0.523 nan 8.270 nan 0.000 0.446 384 H N -0.425 118.605 119.070 -0.067 0.000 2.539 384 H HA 0.213 4.768 4.556 -0.001 0.000 0.269 384 H C 1.067 176.393 175.328 -0.002 0.000 0.980 384 H CA 0.563 56.593 56.048 -0.031 0.000 1.152 384 H CB 0.897 30.643 29.762 -0.026 0.000 1.407 384 H HN 0.582 nan 8.280 nan 0.000 0.564 385 G N 1.616 110.440 108.800 0.041 0.000 2.143 385 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.249 385 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.249 385 G C 0.002 175.040 174.900 0.230 0.000 0.981 385 G CA -0.176 44.989 45.100 0.108 0.000 0.665 385 G HN 0.310 nan 8.290 nan 0.000 0.528 386 N N -0.179 118.595 118.700 0.122 0.000 2.492 386 N HA 0.397 5.136 4.740 -0.001 0.000 0.260 386 N C 0.084 175.645 175.510 0.084 0.000 1.215 386 N CA 0.245 53.375 53.050 0.134 0.000 0.923 386 N CB 1.823 40.352 38.487 0.069 0.000 1.092 386 N HN 0.147 nan 8.380 nan 0.000 0.448 387 V N 0.163 120.190 119.914 0.189 0.000 2.555 387 V HA 0.633 4.752 4.120 -0.001 0.000 0.302 387 V C 0.567 176.721 176.094 0.101 0.000 1.038 387 V CA -0.891 61.412 62.300 0.005 0.000 0.887 387 V CB 1.842 33.501 31.823 -0.274 0.000 0.991 387 V HN 0.761 nan 8.190 nan 0.000 0.434 388 G N 1.861 110.652 108.800 -0.016 0.000 2.417 388 G HA2 0.563 4.523 3.960 -0.001 0.000 0.320 388 G HA3 0.563 4.523 3.960 -0.001 0.000 0.320 388 G C 0.226 175.051 174.900 -0.125 0.000 1.204 388 G CA 0.099 45.190 45.100 -0.015 0.000 0.923 388 G HN 1.006 nan 8.290 nan 0.000 0.466 389 V N -0.333 119.480 119.914 -0.167 0.000 3.294 389 V HA 0.185 4.305 4.120 -0.001 0.000 0.255 389 V C 1.596 177.672 176.094 -0.031 0.000 1.528 389 V CA 0.970 63.145 62.300 -0.208 0.000 1.086 389 V CB -0.395 31.120 31.823 -0.513 0.000 0.906 389 V HN 0.793 nan 8.190 nan 0.000 0.433 390 H N 1.653 120.644 119.070 -0.132 0.000 2.529 390 H HA 0.297 4.853 4.556 -0.001 0.000 0.277 390 H C 0.218 175.430 175.328 -0.193 0.000 0.999 390 H CA 0.584 56.540 56.048 -0.153 0.000 1.256 390 H CB 0.257 29.847 29.762 -0.286 0.000 1.402 390 H HN 0.469 nan 8.280 nan 0.000 0.566 391 K N 0.422 120.429 120.400 -0.655 0.000 2.553 391 K HA 0.375 4.694 4.320 -0.001 0.000 0.250 391 K C -1.775 174.718 176.600 -0.179 0.000 0.953 391 K CA -0.676 55.312 56.287 -0.497 0.000 0.800 391 K CB 2.401 34.488 32.500 -0.689 0.000 1.243 391 K HN 0.170 nan 8.250 nan 0.000 0.435 392 F N 0.361 120.162 119.950 -0.248 0.000 2.650 392 F HA 0.419 4.946 4.527 -0.001 0.000 0.310 392 F C -0.042 175.685 175.800 -0.121 0.000 1.112 392 F CA -1.048 56.852 58.000 -0.167 0.000 0.986 392 F CB 1.199 40.121 39.000 -0.129 0.000 1.285 392 F HN 0.537 nan 8.300 nan 0.000 0.440 393 N N 2.087 120.762 118.700 -0.041 0.000 2.754 393 N HA -0.146 4.594 4.740 -0.001 0.000 0.248 393 N C 1.022 176.419 175.510 -0.189 0.000 1.093 393 N CA 1.827 54.820 53.050 -0.095 0.000 0.699 393 N CB -1.149 37.305 38.487 -0.055 0.000 1.016 393 N HN 2.105 nan 8.380 nan 0.000 0.552 394 G N -1.545 107.141 108.800 -0.190 0.000 2.175 394 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.265 394 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.265 394 G C -0.126 174.627 174.900 -0.246 0.000 0.979 394 G CA 1.086 46.072 45.100 -0.190 0.000 0.663 394 G HN 0.516 nan 8.290 nan 0.000 0.533 395 K N 0.075 120.258 120.400 -0.363 0.000 2.164 395 K HA 0.624 4.943 4.320 -0.001 0.000 0.258 395 K C 0.346 176.701 176.600 -0.408 0.000 0.951 395 K CA -0.984 55.072 56.287 -0.385 0.000 0.844 395 K CB 1.788 34.007 32.500 -0.468 0.000 1.099 395 K HN 0.231 nan 8.250 nan 0.000 0.435 396 I N 3.257 123.649 120.570 -0.298 0.000 2.337 396 I HA 0.092 4.261 4.170 -0.001 0.000 0.291 396 I C 1.274 177.289 176.117 -0.171 0.000 1.046 396 I CA -0.274 60.858 61.300 -0.279 0.000 1.324 396 I CB 0.938 38.743 38.000 -0.326 0.000 1.409 396 I HN 0.510 nan 8.210 nan 0.000 0.494 397 M N 4.885 124.397 119.600 -0.147 0.000 2.552 397 M HA 0.356 4.836 4.480 -0.001 0.000 0.264 397 M C 0.821 177.029 176.300 -0.153 0.000 1.159 397 M CA 0.786 56.042 55.300 -0.072 0.000 1.176 397 M CB 0.154 32.810 32.600 0.092 0.000 1.327 397 M HN 0.742 nan 8.290 nan 0.000 0.481 398 G N -0.753 108.031 108.800 -0.028 0.000 2.828 398 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.463 398 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.463 398 G C 0.326 175.343 174.900 0.195 0.000 1.394 398 G CA 0.270 45.458 45.100 0.147 0.000 0.862 398 G HN 0.623 nan 8.290 nan 0.000 0.540 399 T N -1.883 112.890 114.554 0.365 0.000 3.010 399 T HA 0.467 4.817 4.350 -0.001 0.000 0.252 399 T C 2.662 177.674 174.700 0.521 0.000 1.047 399 T CA 1.685 64.044 62.100 0.431 0.000 1.140 399 T CB -0.270 68.883 68.868 0.474 0.000 0.885 399 T HN 2.831 nan 8.240 nan 0.000 0.464 400 G N 1.210 110.349 108.800 0.565 0.000 2.583 400 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.292 400 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.292 400 G C 0.830 175.969 174.900 0.398 0.000 1.203 400 G CA 0.098 45.498 45.100 0.500 0.000 0.987 400 G HN 1.209 nan 8.290 nan 0.000 0.554 401 G N -0.626 108.429 108.800 0.425 0.000 3.371 401 G HA2 0.425 4.385 3.960 -0.001 0.000 0.248 401 G HA3 0.425 4.385 3.960 -0.001 0.000 0.248 401 G C 1.138 176.284 174.900 0.410 0.000 1.161 401 G CA 0.991 46.366 45.100 0.459 0.000 0.796 401 G HN 0.693 nan 8.290 nan 0.000 0.539 402 F N 1.201 121.320 119.950 0.281 0.000 2.091 402 F HA -0.129 4.398 4.527 -0.001 0.000 0.299 402 F C 2.221 178.169 175.800 0.246 0.000 1.103 402 F CA 1.605 59.759 58.000 0.257 0.000 1.228 402 F CB 0.133 39.309 39.000 0.294 0.000 0.984 402 F HN 0.162 nan 8.300 nan 0.000 0.477 403 I N -0.233 120.549 120.570 0.354 0.000 2.406 403 I HA -0.212 3.958 4.170 -0.001 0.000 0.249 403 I C 1.846 178.044 176.117 0.134 0.000 1.122 403 I CA 0.962 62.397 61.300 0.225 0.000 1.431 403 I CB -0.640 37.508 38.000 0.246 0.000 1.087 403 I HN 0.092 nan 8.210 nan 0.000 0.424 404 D N 1.249 121.772 120.400 0.204 0.000 2.182 404 D HA -0.165 4.474 4.640 -0.001 0.000 0.201 404 D C 2.155 178.618 176.300 0.272 0.000 0.986 404 D CA 1.555 55.753 54.000 0.331 0.000 0.847 404 D CB 0.123 41.244 40.800 0.534 0.000 0.942 404 D HN 0.411 nan 8.370 nan 0.000 0.467 405 I N 0.531 121.161 120.570 0.100 0.000 2.927 405 I HA -0.136 4.033 4.170 -0.001 0.000 0.268 405 I C 2.205 178.210 176.117 -0.187 0.000 1.153 405 I CA 0.444 61.674 61.300 -0.116 0.000 1.459 405 I CB 0.203 38.083 38.000 -0.200 0.000 1.149 405 I HN -0.090 nan 8.210 nan 0.000 0.443 406 S N 0.648 116.223 115.700 -0.209 0.000 2.575 406 S HA 0.225 4.695 4.470 -0.001 0.000 0.215 406 S C 1.826 176.488 174.600 0.103 0.000 0.966 406 S CA 0.341 58.423 58.200 -0.195 0.000 0.911 406 S CB 0.166 63.127 63.200 -0.399 0.000 0.780 406 S HN 0.280 nan 8.310 nan 0.000 0.514 407 A N 2.356 125.214 122.820 0.064 0.000 1.874 407 A HA 0.112 4.432 4.320 -0.001 0.000 0.214 407 A C 2.301 179.911 177.584 0.043 0.000 1.189 407 A CA 1.597 53.678 52.037 0.072 0.000 0.615 407 A CB -0.831 18.184 19.000 0.025 0.000 0.830 407 A HN 0.740 nan 8.150 nan 0.000 0.443 408 T N -4.174 110.388 114.554 0.013 0.000 3.058 408 T HA 0.275 4.625 4.350 -0.001 0.000 0.278 408 T C 0.472 175.148 174.700 -0.040 0.000 0.974 408 T CA 0.388 62.486 62.100 -0.002 0.000 0.893 408 T CB -0.135 68.739 68.868 0.011 0.000 1.138 408 T HN 0.094 nan 8.240 nan 0.000 0.529 409 S N 2.447 118.100 115.700 -0.078 0.000 2.568 409 S HA 0.240 4.710 4.470 -0.001 0.000 0.282 409 S C 1.115 175.647 174.600 -0.113 0.000 1.338 409 S CA -0.566 57.555 58.200 -0.132 0.000 1.045 409 S CB 0.992 64.065 63.200 -0.212 0.000 0.873 409 S HN 0.161 nan 8.310 nan 0.000 0.516 410 K N 1.798 122.131 120.400 -0.113 0.000 2.057 410 K HA 0.086 4.406 4.320 -0.001 0.000 0.206 410 K C 0.170 176.707 176.600 -0.104 0.000 1.050 410 K CA 1.463 57.698 56.287 -0.087 0.000 0.935 410 K CB 0.017 32.475 32.500 -0.070 0.000 0.715 410 K HN 0.484 nan 8.250 nan 0.000 0.439 411 K N 0.235 120.538 120.400 -0.161 0.000 2.345 411 K HA 0.445 4.764 4.320 -0.001 0.000 0.255 411 K C -0.748 175.659 176.600 -0.321 0.000 0.934 411 K CA -0.328 55.838 56.287 -0.201 0.000 0.801 411 K CB 2.186 34.568 32.500 -0.197 0.000 1.137 411 K HN -0.124 nan 8.250 nan 0.000 0.424 412 I N 4.457 124.811 120.570 -0.361 0.000 2.382 412 I HA 0.300 4.470 4.170 -0.001 0.000 0.285 412 I C -0.645 175.055 176.117 -0.694 0.000 1.007 412 I CA -0.848 60.091 61.300 -0.601 0.000 1.142 412 I CB 1.174 38.784 38.000 -0.650 0.000 1.289 412 I HN 0.352 nan 8.210 nan 0.000 0.453 413 I N 6.811 126.949 120.570 -0.719 0.000 2.371 413 I HA 0.326 4.496 4.170 -0.001 0.000 0.282 413 I C -0.295 175.583 176.117 -0.400 0.000 1.031 413 I CA -0.466 60.561 61.300 -0.456 0.000 1.180 413 I CB 0.153 37.959 38.000 -0.323 0.000 1.336 413 I HN 0.288 nan 8.210 nan 0.000 0.467 414 F N 4.600 124.492 119.950 -0.096 0.000 2.384 414 F HA 0.429 4.956 4.527 -0.000 0.000 0.338 414 F C 0.688 176.716 175.800 0.381 0.000 1.103 414 F CA -0.140 57.952 58.000 0.154 0.000 1.157 414 F CB 1.067 40.156 39.000 0.148 0.000 1.167 414 F HN 0.335 nan 8.300 nan 0.000 0.529 415 C N 1.650 121.291 119.300 0.570 0.000 2.609 415 C HA 0.941 5.400 4.460 -0.001 0.000 0.313 415 C C 0.217 175.111 174.990 -0.160 0.000 1.175 415 C CA -0.873 58.321 59.018 0.294 0.000 1.434 415 C CB 0.875 28.712 27.740 0.163 0.000 2.005 415 C HN 1.129 nan 8.230 nan 0.000 0.471 416 G N 1.528 110.224 108.800 -0.172 0.000 2.321 416 G HA2 0.516 4.475 3.960 -0.001 0.000 0.298 416 G HA3 0.516 4.475 3.960 -0.001 0.000 0.298 416 G C -0.802 174.066 174.900 -0.053 0.000 1.385 416 G CA -0.217 44.585 45.100 -0.497 0.000 0.856 416 G HN 0.843 nan 8.290 nan 0.000 0.584 417 T N -0.496 114.034 114.554 -0.041 0.000 2.913 417 T HA 0.409 4.759 4.350 -0.001 0.000 0.297 417 T C 1.632 176.529 174.700 0.329 0.000 1.029 417 T CA -0.177 62.004 62.100 0.134 0.000 1.104 417 T CB 1.797 70.705 68.868 0.067 0.000 0.964 417 T HN 0.797 nan 8.240 nan 0.000 0.532 418 L N 1.582 122.999 121.223 0.325 0.000 2.275 418 L HA 0.075 4.414 4.340 -0.001 0.000 0.215 418 L C 1.193 178.263 176.870 0.333 0.000 1.119 418 L CA 1.179 56.241 54.840 0.369 0.000 0.790 418 L CB -0.258 41.883 42.059 0.137 0.000 0.919 418 L HN 1.112 nan 8.230 nan 0.000 0.443 432 L N -0.532 120.584 121.223 -0.179 0.000 2.421 432 L HA 0.937 5.276 4.340 -0.001 0.000 0.263 432 L C 0.699 177.558 176.870 -0.019 0.000 1.122 432 L CA -0.257 54.575 54.840 -0.013 0.000 0.804 432 L CB 0.721 42.790 42.059 0.017 0.000 1.150 432 L HN 1.987 nan 8.230 nan 0.000 0.457 433 N N 0.469 119.178 118.700 0.016 0.000 2.621 433 N HA 0.704 5.444 4.740 -0.001 0.000 0.271 433 N C -0.575 174.945 175.510 0.017 0.000 1.181 433 N CA 0.195 53.249 53.050 0.007 0.000 0.805 433 N CB 0.940 39.431 38.487 0.007 0.000 1.351 433 N HN 2.225 nan 8.380 nan 0.000 0.539 434 I N 1.950 122.528 120.570 0.013 0.000 2.372 434 I HA 0.724 4.894 4.170 -0.001 0.000 0.298 434 I C 1.637 177.763 176.117 0.015 0.000 1.137 434 I CA -0.059 61.252 61.300 0.019 0.000 1.314 434 I CB -0.784 37.227 38.000 0.018 0.000 1.444 434 I HN 1.027 nan 8.210 nan 0.000 0.541 435 V N 4.675 124.600 119.914 0.018 0.000 2.233 435 V HA 0.273 4.393 4.120 -0.001 0.000 0.174 435 V C 1.638 177.742 176.094 0.016 0.000 0.888 435 V CA 1.880 64.189 62.300 0.015 0.000 1.161 435 V CB -0.909 30.924 31.823 0.017 0.000 0.717 435 V HN 1.585 nan 8.190 nan 0.000 0.460 436 Q N 0.664 120.475 119.800 0.017 0.000 2.369 436 Q HA 0.508 4.848 4.340 -0.001 0.000 0.247 436 Q C 0.319 176.332 176.000 0.022 0.000 1.083 436 Q CA 0.238 56.051 55.803 0.018 0.000 0.905 436 Q CB 0.124 28.872 28.738 0.017 0.000 1.305 436 Q HN 0.862 nan 8.270 nan 0.000 0.465 437 E N 2.105 122.318 120.200 0.022 0.000 2.563 437 E HA 0.358 4.708 4.350 -0.001 0.000 0.260 437 E C 1.109 177.728 176.600 0.030 0.000 1.391 437 E CA 0.993 57.409 56.400 0.027 0.000 1.079 437 E CB 0.176 29.890 29.700 0.023 0.000 0.984 437 E HN 0.861 nan 8.360 nan 0.000 0.563 447 L N 4.581 125.814 121.223 0.017 0.000 2.292 447 L HA 0.352 4.692 4.340 -0.001 0.000 0.284 447 L C -0.992 175.878 176.870 -0.000 0.000 1.065 447 L CA -1.602 53.238 54.840 -0.001 0.000 0.806 447 L CB 0.434 42.498 42.059 0.008 0.000 1.175 447 L HN 0.377 nan 8.230 nan 0.000 0.431 448 P HA -0.050 nan 4.420 nan 0.000 0.219 448 P C -0.433 176.867 177.300 0.000 0.000 1.150 448 P CA 0.941 64.030 63.100 -0.018 0.000 0.814 448 P CB 0.611 32.285 31.700 -0.043 0.000 0.787 449 E N -0.902 119.308 120.200 0.016 0.000 2.343 449 E HA 0.485 4.834 4.350 -0.001 0.000 0.278 449 E C -0.774 175.954 176.600 0.214 0.000 0.910 449 E CA -0.703 55.766 56.400 0.115 0.000 0.757 449 E CB 2.287 32.060 29.700 0.122 0.000 1.218 449 E HN -0.071 nan 8.360 nan 0.000 0.435 450 I N 1.470 122.203 120.570 0.272 0.000 2.412 450 I HA 0.233 4.403 4.170 -0.001 0.000 0.296 450 I C 0.649 176.984 176.117 0.362 0.000 0.987 450 I CA -0.152 61.300 61.300 0.255 0.000 1.180 450 I CB 1.773 39.853 38.000 0.133 0.000 1.340 450 I HN 0.612 nan 8.210 nan 0.000 0.455 451 T N 3.979 118.769 114.554 0.394 0.000 2.969 451 T HA 0.183 4.533 4.350 -0.001 0.000 0.250 451 T C -0.214 174.879 174.700 0.655 0.000 1.021 451 T CA 0.228 62.622 62.100 0.489 0.000 1.003 451 T CB 0.223 69.341 68.868 0.417 0.000 1.040 451 T HN 0.403 nan 8.240 nan 0.000 0.492 452 F N 2.082 122.271 119.950 0.399 0.000 2.562 452 F HA 0.628 5.155 4.527 -0.000 0.000 0.319 452 F C -0.759 175.148 175.800 0.180 0.000 1.154 452 F CA -1.247 56.945 58.000 0.321 0.000 0.931 452 F CB 1.873 41.129 39.000 0.426 0.000 1.198 452 F HN -0.134 nan 8.300 nan 0.000 0.444 453 S N 4.259 119.609 115.700 -0.583 0.000 2.430 453 S HA 0.403 4.873 4.470 -0.001 0.000 0.289 453 S C 1.206 175.359 174.600 -0.746 0.000 1.143 453 S CA 0.130 58.045 58.200 -0.474 0.000 1.067 453 S CB 0.824 63.861 63.200 -0.271 0.000 0.964 453 S HN 1.064 nan 8.310 nan 0.000 0.485 454 G N 4.778 113.374 108.800 -0.339 0.000 2.440 454 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.218 454 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.218 454 G C 1.360 176.217 174.900 -0.071 0.000 1.154 454 G CA 1.034 46.087 45.100 -0.078 0.000 0.767 454 G HN 0.735 nan 8.290 nan 0.000 0.552 455 K N 0.167 120.521 120.400 -0.077 0.000 2.032 455 K HA -0.078 4.242 4.320 -0.001 0.000 0.209 455 K C 2.385 178.937 176.600 -0.080 0.000 1.048 455 K CA 1.231 57.487 56.287 -0.052 0.000 0.927 455 K CB -0.248 32.220 32.500 -0.053 0.000 0.712 455 K HN 0.227 nan 8.250 nan 0.000 0.441 456 I N 1.621 122.107 120.570 -0.141 0.000 2.286 456 I HA -0.191 3.979 4.170 -0.001 0.000 0.248 456 I C 2.602 178.657 176.117 -0.102 0.000 1.115 456 I CA 1.300 62.523 61.300 -0.127 0.000 1.392 456 I CB -1.465 36.444 38.000 -0.152 0.000 1.065 456 I HN 0.264 nan 8.210 nan 0.000 0.418 457 A N 0.914 123.649 122.820 -0.142 0.000 1.902 457 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 457 A C 2.402 180.008 177.584 0.036 0.000 1.181 457 A CA 1.255 53.288 52.037 -0.007 0.000 0.623 457 A CB -0.752 18.327 19.000 0.130 0.000 0.818 457 A HN 0.382 nan 8.150 nan 0.000 0.443 458 L N -0.792 120.448 121.223 0.028 0.000 2.093 458 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 458 L C 2.525 179.403 176.870 0.014 0.000 1.085 458 L CA 1.491 56.352 54.840 0.037 0.000 0.755 458 L CB -0.444 41.642 42.059 0.045 0.000 0.904 458 L HN 0.456 nan 8.230 nan 0.000 0.435 459 E N -0.291 119.906 120.200 -0.005 0.000 2.208 459 E HA -0.158 4.192 4.350 -0.001 0.000 0.193 459 E C 2.146 178.738 176.600 -0.013 0.000 0.988 459 E CA 0.604 56.996 56.400 -0.013 0.000 0.828 459 E CB 0.059 29.741 29.700 -0.029 0.000 0.763 459 E HN 0.397 nan 8.360 nan 0.000 0.478 460 R N -0.343 120.151 120.500 -0.010 0.000 2.275 460 R HA 0.043 4.383 4.340 -0.001 0.000 0.199 460 R C 0.821 177.123 176.300 0.004 0.000 0.989 460 R CA 0.537 56.634 56.100 -0.005 0.000 1.016 460 R CB 0.411 30.709 30.300 -0.004 0.000 0.918 460 R HN 0.188 nan 8.270 nan 0.000 0.473 461 G N 1.508 110.314 108.800 0.010 0.000 2.248 461 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.263 461 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.263 461 G C -0.253 174.655 174.900 0.013 0.000 1.082 461 G CA -0.256 44.851 45.100 0.012 0.000 0.863 461 G HN 0.124 nan 8.290 nan 0.000 0.495 462 L N -0.309 120.929 121.223 0.025 0.000 2.331 462 L HA 0.616 4.956 4.340 -0.001 0.000 0.275 462 L C 0.084 176.970 176.870 0.026 0.000 1.022 462 L CA -1.245 53.607 54.840 0.019 0.000 0.812 462 L CB 1.496 43.574 42.059 0.031 0.000 1.257 462 L HN 0.126 nan 8.230 nan 0.000 0.435 463 D N 1.881 122.277 120.400 -0.006 0.000 2.325 463 D HA 0.328 4.968 4.640 -0.001 0.000 0.251 463 D C -0.908 175.372 176.300 -0.034 0.000 1.196 463 D CA -0.067 53.928 54.000 -0.009 0.000 0.866 463 D CB 1.320 42.103 40.800 -0.027 0.000 1.101 463 D HN 0.122 nan 8.370 nan 0.000 0.476 464 V N 4.851 124.771 119.914 0.010 0.000 2.417 464 V HA 0.515 4.635 4.120 -0.001 0.000 0.291 464 V C 0.365 176.416 176.094 -0.070 0.000 1.024 464 V CA -0.821 61.452 62.300 -0.045 0.000 0.861 464 V CB 1.545 33.435 31.823 0.112 0.000 0.985 464 V HN 0.450 nan 8.190 nan 0.000 0.436 465 R N 2.907 123.284 120.500 -0.205 0.000 2.832 465 R HA 0.674 5.013 4.340 -0.001 0.000 0.271 465 R C -1.939 174.242 176.300 -0.198 0.000 0.996 465 R CA -0.651 55.407 56.100 -0.071 0.000 0.977 465 R CB 1.655 31.947 30.300 -0.012 0.000 1.168 465 R HN 0.613 nan 8.270 nan 0.000 0.482 466 Y N 2.595 123.090 120.300 0.325 0.000 2.333 466 Y HA 0.448 4.998 4.550 -0.000 0.000 0.324 466 Y C -0.509 175.654 175.900 0.438 0.000 1.033 466 Y CA -0.537 57.809 58.100 0.410 0.000 1.224 466 Y CB 1.270 39.950 38.460 0.367 0.000 1.120 466 Y HN 0.288 nan 8.280 nan 0.000 0.457 467 I N 3.572 124.453 120.570 0.519 0.000 2.336 467 I HA 0.423 4.593 4.170 -0.001 0.000 0.292 467 I C -0.117 176.255 176.117 0.425 0.000 0.991 467 I CA -0.020 61.501 61.300 0.368 0.000 1.227 467 I CB 1.493 39.632 38.000 0.231 0.000 1.366 467 I HN 0.580 nan 8.210 nan 0.000 0.466 468 T N 3.734 118.487 114.554 0.332 0.000 2.930 468 T HA 0.173 4.522 4.350 -0.001 0.000 0.290 468 T C 0.961 175.765 174.700 0.173 0.000 1.052 468 T CA -0.644 61.645 62.100 0.316 0.000 1.017 468 T CB 1.756 70.848 68.868 0.373 0.000 1.137 468 T HN 0.675 nan 8.240 nan 0.000 0.511 469 E N 1.327 121.620 120.200 0.154 0.000 2.187 469 E HA -0.274 4.075 4.350 -0.001 0.000 0.199 469 E C 1.735 178.414 176.600 0.133 0.000 1.004 469 E CA 1.469 57.939 56.400 0.117 0.000 0.813 469 E CB -0.139 29.624 29.700 0.105 0.000 0.736 469 E HN 0.637 nan 8.360 nan 0.000 0.468 470 R N 0.054 120.617 120.500 0.105 0.000 2.412 470 R HA 0.547 4.887 4.340 -0.001 0.000 0.212 470 R C 0.338 176.640 176.300 0.003 0.000 0.878 470 R CA 0.353 56.492 56.100 0.064 0.000 1.022 470 R CB 0.738 31.059 30.300 0.034 0.000 1.265 470 R HN 0.115 nan 8.270 nan 0.000 0.620 471 A N 0.781 123.582 122.820 -0.031 0.000 2.606 471 A HA 0.644 4.964 4.320 -0.001 0.000 0.293 471 A C -1.511 175.933 177.584 -0.233 0.000 1.082 471 A CA -0.643 51.275 52.037 -0.198 0.000 0.685 471 A CB 2.370 21.148 19.000 -0.369 0.000 1.284 471 A HN -0.014 nan 8.150 nan 0.000 0.408 472 V N 1.190 120.882 119.914 -0.370 0.000 2.483 472 V HA 0.604 4.723 4.120 -0.001 0.000 0.297 472 V C -1.144 174.773 176.094 -0.295 0.000 1.027 472 V CA -0.240 61.953 62.300 -0.178 0.000 0.855 472 V CB 0.997 32.788 31.823 -0.054 0.000 0.995 472 V HN 0.712 nan 8.190 nan 0.000 0.424 473 F N 1.461 121.535 119.950 0.206 0.000 2.541 473 F HA 0.790 5.316 4.527 -0.001 0.000 0.331 473 F C 0.707 176.690 175.800 0.304 0.000 1.057 473 F CA -0.525 57.616 58.000 0.236 0.000 0.975 473 F CB 2.204 41.343 39.000 0.232 0.000 1.246 473 F HN 0.331 nan 8.300 nan 0.000 0.484 474 T N 1.849 116.695 114.554 0.488 0.000 2.916 474 T HA 0.522 4.871 4.350 -0.001 0.000 0.292 474 T C -1.525 173.428 174.700 0.421 0.000 1.055 474 T CA -0.557 61.767 62.100 0.374 0.000 1.009 474 T CB 1.997 70.981 68.868 0.192 0.000 1.118 474 T HN 0.360 nan 8.240 nan 0.000 0.497 475 L N 2.791 124.238 121.223 0.374 0.000 2.307 475 L HA 0.608 4.948 4.340 -0.001 0.000 0.282 475 L C -0.564 176.435 176.870 0.215 0.000 1.051 475 L CA 0.023 55.076 54.840 0.354 0.000 0.804 475 L CB 0.386 42.697 42.059 0.419 0.000 1.197 475 L HN 0.419 nan 8.230 nan 0.000 0.431 476 K N 3.483 124.017 120.400 0.223 0.000 2.482 476 K HA 0.304 4.624 4.320 -0.001 0.000 0.257 476 K C 0.337 177.029 176.600 0.153 0.000 0.969 476 K CA -0.861 55.511 56.287 0.141 0.000 0.842 476 K CB 1.662 34.215 32.500 0.089 0.000 1.359 476 K HN 0.488 nan 8.250 nan 0.000 0.441 477 E N 1.544 121.808 120.200 0.107 0.000 2.086 477 E HA -0.210 4.140 4.350 -0.001 0.000 0.205 477 E C 0.429 177.090 176.600 0.102 0.000 1.027 477 E CA 1.799 58.253 56.400 0.091 0.000 0.830 477 E CB -0.147 29.593 29.700 0.067 0.000 0.751 477 E HN 0.711 nan 8.360 nan 0.000 0.456 481 H N 3.574 122.774 119.070 0.217 0.000 2.594 481 H HA 0.358 4.914 4.556 -0.001 0.000 0.304 481 H C -0.350 175.119 175.328 0.236 0.000 1.068 481 H CA -0.918 55.242 56.048 0.187 0.000 1.308 481 H CB 2.248 32.085 29.762 0.124 0.000 1.409 481 H HN 0.393 nan 8.280 nan 0.000 0.460 482 L N 4.188 125.568 121.223 0.261 0.000 2.534 482 L HA -0.008 4.332 4.340 -0.001 0.000 0.271 482 L C 0.986 177.855 176.870 -0.002 0.000 1.178 482 L CA 0.531 55.370 54.840 -0.002 0.000 0.907 482 L CB 0.063 42.084 42.059 -0.063 0.000 1.164 482 L HN 0.715 nan 8.230 nan 0.000 0.482 483 I N 1.764 122.295 120.570 -0.065 0.000 4.288 483 I HA 0.667 4.837 4.170 -0.001 0.000 0.331 483 I C 0.664 176.744 176.117 -0.061 0.000 1.322 483 I CA 0.964 62.255 61.300 -0.015 0.000 1.149 483 I CB -0.685 37.332 38.000 0.029 0.000 1.112 483 I HN 0.719 nan 8.210 nan 0.000 0.403 484 E N -0.559 119.561 120.200 -0.133 0.000 2.380 484 E HA 0.915 5.265 4.350 -0.001 0.000 0.281 484 E C -1.101 175.400 176.600 -0.164 0.000 0.999 484 E CA 0.214 56.544 56.400 -0.117 0.000 0.800 484 E CB 0.669 30.316 29.700 -0.089 0.000 1.228 484 E HN 2.079 nan 8.360 nan 0.000 0.436 485 I N -0.459 120.044 120.570 -0.112 0.000 2.769 485 I HA 0.968 5.137 4.170 -0.001 0.000 0.298 485 I C 0.522 176.598 176.117 -0.068 0.000 1.128 485 I CA -0.731 60.503 61.300 -0.110 0.000 1.031 485 I CB 1.041 38.973 38.000 -0.113 0.000 1.235 485 I HN 1.805 nan 8.210 nan 0.000 0.423 486 A N 4.649 127.438 122.820 -0.050 0.000 2.462 486 A HA 0.713 5.033 4.320 -0.001 0.000 0.243 486 A C -2.501 174.955 177.584 -0.213 0.000 1.076 486 A CA -0.995 50.998 52.037 -0.073 0.000 0.773 486 A CB -0.716 18.291 19.000 0.012 0.000 1.010 486 A HN 0.769 nan 8.150 nan 0.000 0.493 487 P HA 0.447 nan 4.420 nan 0.000 0.287 487 P C 0.482 177.587 177.300 -0.325 0.000 1.294 487 P CA 0.935 63.809 63.100 -0.376 0.000 0.776 487 P CB 1.079 32.484 31.700 -0.492 0.000 0.889 488 G N 1.287 109.973 108.800 -0.189 0.000 2.145 488 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.176 488 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.176 488 G C -0.355 174.490 174.900 -0.092 0.000 1.013 488 G CA -0.281 44.740 45.100 -0.131 0.000 0.689 488 G HN 0.497 nan 8.290 nan 0.000 0.506 489 V N -0.814 119.047 119.914 -0.088 0.000 3.114 489 V HA 0.740 4.860 4.120 -0.001 0.000 0.308 489 V C -0.801 175.261 176.094 -0.054 0.000 1.168 489 V CA -0.704 61.559 62.300 -0.061 0.000 1.015 489 V CB 2.291 34.080 31.823 -0.057 0.000 1.050 489 V HN 0.305 nan 8.190 nan 0.000 0.433 490 D N 1.332 121.708 120.400 -0.040 0.000 2.425 490 D HA 0.547 5.187 4.640 -0.001 0.000 0.240 490 D C -0.350 175.929 176.300 -0.034 0.000 1.080 490 D CA -0.435 53.543 54.000 -0.036 0.000 0.836 490 D CB 1.562 42.345 40.800 -0.028 0.000 1.125 490 D HN 0.522 nan 8.370 nan 0.000 0.525 501 F N -0.443 119.482 119.950 -0.041 0.000 2.770 501 F HA 0.673 5.200 4.527 -0.001 0.000 0.313 501 F C -0.662 175.095 175.800 -0.071 0.000 1.154 501 F CA -1.045 56.916 58.000 -0.064 0.000 0.923 501 F CB 1.364 40.308 39.000 -0.092 0.000 1.301 501 F HN -0.316 nan 8.300 nan 0.000 0.449 502 T N 4.315 118.826 114.554 -0.073 0.000 2.756 502 T HA 0.629 4.978 4.350 -0.001 0.000 0.290 502 T C -2.621 172.032 174.700 -0.077 0.000 0.985 502 T CA -0.886 61.176 62.100 -0.063 0.000 0.955 502 T CB 0.986 69.825 68.868 -0.049 0.000 0.930 502 T HN 0.677 nan 8.240 nan 0.000 0.451 503 P HA 0.432 nan 4.420 nan 0.000 0.290 503 P C 0.215 177.484 177.300 -0.052 0.000 1.276 503 P CA -0.547 62.518 63.100 -0.059 0.000 0.808 503 P CB 0.647 32.343 31.700 -0.007 0.000 0.966 504 V N 3.024 122.861 119.914 -0.128 0.000 3.830 504 V HA -0.103 4.016 4.120 -0.001 0.000 0.292 504 V C 0.965 176.983 176.094 -0.126 0.000 1.192 504 V CA 0.665 62.838 62.300 -0.211 0.000 1.317 504 V CB -0.286 31.211 31.823 -0.544 0.000 1.115 504 V HN 0.438 nan 8.190 nan 0.000 0.501 505 I N 0.469 120.966 120.570 -0.121 0.000 2.686 505 I HA 0.262 4.432 4.170 -0.001 0.000 0.295 505 I C -0.132 175.997 176.117 0.021 0.000 1.114 505 I CA -0.101 61.183 61.300 -0.028 0.000 1.038 505 I CB 1.885 39.874 38.000 -0.018 0.000 1.238 505 I HN 0.668 nan 8.210 nan 0.000 0.420 506 S N 6.292 122.038 115.700 0.077 0.000 2.565 506 S HA 0.354 4.824 4.470 -0.001 0.000 0.274 506 S C -1.226 173.409 174.600 0.059 0.000 1.309 506 S CA -1.146 57.123 58.200 0.116 0.000 1.043 506 S CB 0.991 64.257 63.200 0.111 0.000 0.939 506 S HN 0.462 nan 8.310 nan 0.000 0.504 507 P HA -0.018 nan 4.420 nan 0.000 0.219 507 P C 0.886 178.202 177.300 0.026 0.000 1.146 507 P CA 1.510 64.631 63.100 0.036 0.000 0.808 507 P CB -0.109 31.614 31.700 0.039 0.000 0.779 508 E N -0.122 120.097 120.200 0.031 0.000 2.489 508 E HA 0.329 4.678 4.350 -0.001 0.000 0.193 508 E C 1.286 177.892 176.600 0.010 0.000 1.057 508 E CA 0.340 56.752 56.400 0.020 0.000 0.866 508 E CB -1.510 28.203 29.700 0.023 0.000 0.916 508 E HN 0.372 nan 8.360 nan 0.000 0.500 509 L N 0.448 121.676 121.223 0.009 0.000 2.906 509 L HA 0.425 4.765 4.340 -0.001 0.000 0.292 509 L C 0.779 177.637 176.870 -0.021 0.000 1.130 509 L CA 1.318 56.151 54.840 -0.012 0.000 0.940 509 L CB -2.175 39.874 42.059 -0.016 0.000 1.336 509 L HN 0.822 nan 8.230 nan 0.000 0.469 510 K N 2.833 123.215 120.400 -0.030 0.000 2.395 510 K HA 1.088 5.408 4.320 -0.001 0.000 0.245 510 K C -0.164 176.412 176.600 -0.041 0.000 1.017 510 K CA 0.008 56.279 56.287 -0.028 0.000 0.852 510 K CB 1.116 33.607 32.500 -0.015 0.000 1.311 510 K HN 2.427 nan 8.250 nan 0.000 0.452 511 L N 1.742 122.944 121.223 -0.036 0.000 2.326 511 L HA 0.786 5.126 4.340 -0.001 0.000 0.278 511 L C 0.752 177.615 176.870 -0.012 0.000 1.092 511 L CA -0.785 54.028 54.840 -0.044 0.000 0.810 511 L CB -0.127 41.895 42.059 -0.061 0.000 1.153 511 L HN 0.907 nan 8.230 nan 0.000 0.439 512 M N 1.972 121.586 119.600 0.022 0.000 2.252 512 M HA 0.119 4.599 4.480 -0.001 0.000 0.333 512 M C 0.673 177.067 176.300 0.157 0.000 1.111 512 M CA -0.042 55.307 55.300 0.082 0.000 1.140 512 M CB 0.064 32.779 32.600 0.192 0.000 1.538 512 M HN 0.827 nan 8.290 nan 0.000 0.448 513 D N 2.450 122.871 120.400 0.035 0.000 2.836 513 D HA -0.118 4.522 4.640 -0.001 0.000 0.220 513 D C 1.072 177.518 176.300 0.243 0.000 1.094 513 D CA 0.926 54.970 54.000 0.073 0.000 0.820 513 D CB 0.850 41.622 40.800 -0.047 0.000 1.171 513 D HN 0.781 nan 8.370 nan 0.000 0.507 514 E N 4.714 125.044 120.200 0.216 0.000 2.051 514 E HA -0.233 4.117 4.350 -0.001 0.000 0.192 514 E C 2.050 178.824 176.600 0.290 0.000 0.991 514 E CA 1.504 58.067 56.400 0.271 0.000 0.799 514 E CB -0.430 29.353 29.700 0.138 0.000 0.748 514 E HN 0.648 nan 8.360 nan 0.000 0.449 515 R N -0.247 120.367 120.500 0.190 0.000 2.174 515 R HA -0.100 4.239 4.340 -0.001 0.000 0.253 515 R C 2.542 178.897 176.300 0.092 0.000 1.165 515 R CA 1.489 57.680 56.100 0.151 0.000 0.984 515 R CB -0.708 29.696 30.300 0.173 0.000 0.873 515 R HN 0.412 nan 8.270 nan 0.000 0.456 516 L N -0.603 120.625 121.223 0.008 0.000 2.349 516 L HA -0.149 4.191 4.340 -0.001 0.000 0.220 516 L C 1.003 177.587 176.870 -0.477 0.000 1.130 516 L CA 1.085 55.735 54.840 -0.317 0.000 0.791 516 L CB -0.052 41.606 42.059 -0.670 0.000 0.918 516 L HN 0.149 nan 8.230 nan 0.000 0.444 517 F N -0.838 119.123 119.950 0.019 0.000 2.654 517 F HA 0.336 4.863 4.527 -0.000 0.000 0.303 517 F C 0.636 176.445 175.800 0.015 0.000 1.099 517 F CA -0.411 57.595 58.000 0.010 0.000 1.270 517 F CB -0.066 38.933 39.000 -0.000 0.000 1.024 517 F HN -0.214 nan 8.300 nan 0.000 0.548 518 I N -0.530 120.120 120.570 0.134 0.000 2.460 518 I HA 0.413 4.582 4.170 -0.001 0.000 0.298 518 I C 0.145 176.294 176.117 0.052 0.000 0.989 518 I CA -0.768 60.587 61.300 0.091 0.000 1.173 518 I CB 0.856 38.907 38.000 0.084 0.000 1.338 518 I HN 0.058 nan 8.210 nan 0.000 0.456 519 D N 3.637 124.063 120.400 0.044 0.000 2.652 519 D HA 0.520 5.160 4.640 -0.001 0.000 0.247 519 D C 0.570 176.884 176.300 0.024 0.000 1.232 519 D CA 1.119 55.135 54.000 0.027 0.000 0.863 519 D CB 0.010 40.825 40.800 0.025 0.000 1.023 519 D HN 0.992 nan 8.370 nan 0.000 0.474 520 A N -0.163 122.675 122.820 0.029 0.000 2.616 520 A HA 0.832 5.151 4.320 -0.001 0.000 0.253 520 A C -0.399 177.203 177.584 0.029 0.000 1.239 520 A CA -0.545 51.509 52.037 0.028 0.000 0.914 520 A CB 0.662 19.682 19.000 0.034 0.000 1.454 520 A HN 0.240 nan 8.150 nan 0.000 0.460 521 A N -0.305 122.534 122.820 0.032 0.000 2.354 521 A HA 0.494 4.814 4.320 -0.001 0.000 0.281 521 A C 0.775 178.392 177.584 0.054 0.000 1.174 521 A CA -0.346 51.714 52.037 0.037 0.000 0.828 521 A CB -0.390 18.630 19.000 0.033 0.000 1.099 521 A HN 0.746 nan 8.150 nan 0.000 0.516 522 M N 2.356 121.996 119.600 0.067 0.000 2.446 522 M HA -0.021 4.458 4.480 -0.001 0.000 0.263 522 M C 1.716 178.086 176.300 0.116 0.000 1.066 522 M CA 1.382 56.743 55.300 0.103 0.000 1.087 522 M CB -0.120 32.553 32.600 0.121 0.000 1.406 522 M HN 1.241 nan 8.290 nan 0.000 0.459 523 G N 1.300 110.155 108.800 0.092 0.000 2.203 523 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.263 523 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.263 523 G C 0.056 174.997 174.900 0.068 0.000 1.012 523 G CA -0.067 45.073 45.100 0.066 0.000 0.749 523 G HN 0.499 nan 8.290 nan 0.000 0.512 524 F N 0.852 120.762 119.950 -0.067 0.000 2.629 524 F HA 0.386 4.913 4.527 -0.001 0.000 0.369 524 F C 0.753 176.477 175.800 -0.127 0.000 1.125 524 F CA 0.275 58.183 58.000 -0.154 0.000 1.330 524 F CB 0.794 39.651 39.000 -0.239 0.000 1.071 524 F HN 0.493 nan 8.300 nan 0.000 0.595 525 V N 5.919 125.191 119.914 -1.070 0.000 2.487 525 V HA 0.432 4.552 4.120 -0.001 0.000 0.298 525 V C -0.665 174.638 176.094 -1.318 0.000 1.028 525 V CA -1.258 60.511 62.300 -0.885 0.000 0.860 525 V CB 1.133 32.700 31.823 -0.427 0.000 0.991 525 V HN 0.825 nan 8.190 nan 0.000 0.427 526 L N 7.397 128.124 121.223 -0.827 0.000 2.418 526 L HA 0.490 4.830 4.340 -0.001 0.000 0.274 526 L C -2.057 174.654 176.870 -0.266 0.000 1.135 526 L CA -0.924 53.644 54.840 -0.454 0.000 0.870 526 L CB 0.295 42.324 42.059 -0.050 0.000 1.154 526 L HN 0.531 nan 8.230 nan 0.000 0.462 527 P HA -0.043 nan 4.420 nan 0.000 0.266 527 P C -0.414 176.852 177.300 -0.057 0.000 1.186 527 P CA 0.087 63.128 63.100 -0.098 0.000 0.767 527 P CB 0.350 32.029 31.700 -0.034 0.000 0.820 528 E N 0.549 120.723 120.200 -0.043 0.000 2.435 528 E HA 0.253 4.602 4.350 -0.001 0.000 0.254 528 E C 0.439 177.036 176.600 -0.004 0.000 1.289 528 E CA -0.093 56.294 56.400 -0.022 0.000 0.983 528 E CB 0.172 29.860 29.700 -0.020 0.000 1.010 528 E HN 0.459 nan 8.360 nan 0.000 0.509 529 A N 0.000 122.824 122.820 0.006 0.000 2.254 529 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 529 A CA 0.000 52.046 52.037 0.016 0.000 0.836 529 A CB 0.000 19.014 19.000 0.023 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486