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 3h7l_1_A DATA FIRST_RESID 1 DATA SEQUENCE SLLLTNHIGY ERLGPKKAII QTEQPHLSSY TAQLICATSE QTVATFAVEE DATA SEQUENCE QGKVANWHQG YFYLIDFSSF TDSGDYFLQV EDSRSSTFTV GEHILLNQTL DATA SEQUENCE SDVIHYFKSQ RCGGVFDQQD RQVPVLNANQ TADVHGGWYD ASGDVSKYLS DATA SEQUENCE HLSYANYLNP QQTPMVVWNI LKGLSLLEGS EDIAAFTRTR LIEEALFGAD DATA SEQUENCE FLVRMQNEKG FFYMTVFDKW SKDTAQREIC AYETQLGHKF DDYQAGFRQG DATA SEQUENCE GGVAIAALAA ASRLGVHGEY DQQKYRNAAE NGYWHLKEHN TQYLNDGEEN DATA SEQUENCE IIDEYCALLA SVELFKATKE TRYLEESRLW AQRLVARQMS DEQIQHFWSA DATA SEQUENCE NQDGSRPYFH AAEAGLPTIA LCEYLAIEDD SVQTESVKCI VNRACEFEIK DATA SEQUENCE ISNKVTNPFG YPRQYVKGVN ESKRDAFFVA HNNESGYWWQ GENARLGSLA DATA SEQUENCE TMAYLAQPHI ASQEIQQQLS VFAQDALNWI VGLNPYDMCM LDGHGRNNPD DATA SEQUENCE YLPQYGFFNA KGGVCNGITG GFEDEEDIAF NPPAQKDDML QNWRWGEQWI DATA SEQUENCE PHGAWYLLAI MSQAQHISQL ATSKNI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.596 174.600 -0.007 0.000 1.055 1 S CA 0.000 58.187 58.200 -0.021 0.000 1.107 1 S CB 0.000 63.176 63.200 -0.040 0.000 0.593 2 L N 3.964 125.195 121.223 0.013 0.000 2.334 2 L HA 0.682 5.022 4.340 -0.000 0.000 0.276 2 L C -0.776 176.133 176.870 0.065 0.000 1.014 2 L CA -1.089 53.773 54.840 0.037 0.000 0.815 2 L CB 1.748 43.835 42.059 0.048 0.000 1.268 2 L HN 0.573 nan 8.230 nan 0.000 0.428 3 L N 4.860 126.127 121.223 0.074 0.000 2.313 3 L HA 0.456 4.796 4.340 -0.000 0.000 0.273 3 L C -0.672 176.283 176.870 0.143 0.000 1.028 3 L CA -0.199 54.701 54.840 0.099 0.000 0.871 3 L CB 0.617 42.727 42.059 0.084 0.000 1.242 3 L HN 0.384 nan 8.230 nan 0.000 0.434 4 L N 4.841 126.166 121.223 0.171 0.000 2.331 4 L HA 0.628 4.967 4.340 -0.000 0.000 0.278 4 L C 0.716 177.723 176.870 0.228 0.000 1.106 4 L CA -0.164 54.804 54.840 0.215 0.000 0.824 4 L CB 1.088 43.307 42.059 0.266 0.000 1.142 4 L HN 0.735 nan 8.230 nan 0.000 0.443 5 T N -1.360 113.355 114.554 0.268 0.000 2.838 5 T HA 0.267 4.617 4.350 -0.000 0.000 0.292 5 T C -0.358 174.494 174.700 0.254 0.000 1.113 5 T CA -0.983 61.282 62.100 0.276 0.000 1.008 5 T CB 1.560 70.579 68.868 0.252 0.000 1.259 5 T HN 0.422 nan 8.240 nan 0.000 0.520 6 N N 0.260 119.023 118.700 0.105 0.000 2.440 6 N HA 0.013 4.753 4.740 -0.000 0.000 0.265 6 N C 1.041 176.627 175.510 0.128 0.000 1.239 6 N CA 0.419 53.416 53.050 -0.088 0.000 0.909 6 N CB 0.098 38.208 38.487 -0.628 0.000 1.066 6 N HN 0.733 nan 8.380 nan 0.000 0.474 7 H N 3.116 122.203 119.070 0.029 0.000 2.457 7 H HA -0.051 4.505 4.556 -0.000 0.000 0.294 7 H C 1.274 176.678 175.328 0.127 0.000 1.064 7 H CA 0.985 57.092 56.048 0.098 0.000 1.330 7 H CB 0.760 30.562 29.762 0.066 0.000 1.395 7 H HN 0.545 nan 8.280 nan 0.000 0.541 8 I N -0.674 120.012 120.570 0.194 0.000 2.522 8 I HA 0.181 4.351 4.170 -0.000 0.000 0.240 8 I C 1.196 177.416 176.117 0.171 0.000 1.078 8 I CA 0.682 62.081 61.300 0.165 0.000 1.422 8 I CB 0.523 38.581 38.000 0.098 0.000 1.188 8 I HN 0.243 nan 8.210 nan 0.000 0.442 9 G N -1.152 107.661 108.800 0.022 0.000 2.324 9 G HA2 0.348 4.308 3.960 -0.000 0.000 0.293 9 G HA3 0.348 4.308 3.960 -0.000 0.000 0.293 9 G C -2.115 172.641 174.900 -0.241 0.000 1.297 9 G CA -0.709 44.422 45.100 0.053 0.000 0.853 9 G HN -0.065 nan 8.290 nan 0.000 0.535 10 Y N 0.001 120.418 120.300 0.195 0.000 2.536 10 Y HA 0.569 5.119 4.550 -0.000 0.000 0.347 10 Y C 0.219 176.185 175.900 0.110 0.000 1.000 10 Y CA -1.007 57.156 58.100 0.104 0.000 1.051 10 Y CB 1.874 40.352 38.460 0.029 0.000 1.259 10 Y HN 0.309 nan 8.280 nan 0.000 0.468 11 E N 2.030 122.360 120.200 0.217 0.000 2.376 11 E HA 0.036 4.386 4.350 -0.000 0.000 0.266 11 E C 0.938 177.610 176.600 0.119 0.000 1.009 11 E CA -0.039 56.434 56.400 0.122 0.000 0.902 11 E CB 0.916 30.659 29.700 0.072 0.000 0.972 11 E HN 0.672 nan 8.360 nan 0.000 0.439 12 R N 3.041 123.594 120.500 0.089 0.000 2.091 12 R HA -0.093 4.247 4.340 -0.000 0.000 0.238 12 R C 0.622 176.937 176.300 0.025 0.000 1.136 12 R CA 1.045 57.191 56.100 0.077 0.000 0.959 12 R CB 0.132 30.462 30.300 0.050 0.000 0.856 12 R HN 0.410 nan 8.270 nan 0.000 0.437 13 L N 1.231 122.455 121.223 0.001 0.000 2.701 13 L HA 0.410 4.750 4.340 -0.000 0.000 0.237 13 L C -0.091 176.787 176.870 0.014 0.000 1.204 13 L CA -0.607 54.228 54.840 -0.008 0.000 1.109 13 L CB 1.356 43.397 42.059 -0.030 0.000 1.409 13 L HN 0.281 nan 8.230 nan 0.000 0.428 14 G N 0.750 109.563 108.800 0.022 0.000 2.608 14 G HA2 0.493 4.452 3.960 -0.000 0.000 0.291 14 G HA3 0.493 4.452 3.960 -0.000 0.000 0.291 14 G C -3.216 171.676 174.900 -0.012 0.000 1.425 14 G CA -0.974 44.155 45.100 0.049 0.000 0.787 14 G HN -0.088 nan 8.290 nan 0.000 0.484 15 P HA 0.274 nan 4.420 nan 0.000 0.267 15 P C -0.890 176.295 177.300 -0.192 0.000 1.205 15 P CA 0.237 63.291 63.100 -0.078 0.000 0.765 15 P CB 0.516 32.212 31.700 -0.007 0.000 0.828 16 K N 2.998 123.090 120.400 -0.513 0.000 2.535 16 K HA 0.402 4.722 4.320 -0.000 0.000 0.253 16 K C -0.406 175.543 176.600 -1.085 0.000 0.953 16 K CA -0.743 54.812 56.287 -1.219 0.000 0.863 16 K CB 2.186 33.453 32.500 -2.056 0.000 1.111 16 K HN 0.296 nan 8.250 nan 0.000 0.431 17 K N 2.025 122.081 120.400 -0.574 0.000 2.371 17 K HA 0.746 5.066 4.320 -0.000 0.000 0.251 17 K C -1.608 175.052 176.600 0.100 0.000 0.934 17 K CA -0.626 55.578 56.287 -0.138 0.000 0.798 17 K CB 1.909 34.399 32.500 -0.017 0.000 1.204 17 K HN 0.670 nan 8.250 nan 0.000 0.427 18 A N 3.850 126.757 122.820 0.145 0.000 2.498 18 A HA 0.737 5.057 4.320 -0.000 0.000 0.298 18 A C -1.365 176.264 177.584 0.075 0.000 1.075 18 A CA -0.853 51.267 52.037 0.139 0.000 0.714 18 A CB 1.010 20.074 19.000 0.106 0.000 1.299 18 A HN 0.679 nan 8.150 nan 0.000 0.407 19 I N 1.650 122.266 120.570 0.076 0.000 2.478 19 I HA 0.325 4.495 4.170 -0.000 0.000 0.287 19 I C -0.796 175.401 176.117 0.135 0.000 1.042 19 I CA -0.227 61.102 61.300 0.047 0.000 1.067 19 I CB 1.816 39.703 38.000 -0.188 0.000 1.233 19 I HN 0.537 nan 8.210 nan 0.000 0.431 20 I N 5.937 126.606 120.570 0.166 0.000 2.441 20 I HA 0.199 4.369 4.170 -0.000 0.000 0.287 20 I C 0.074 176.338 176.117 0.245 0.000 1.049 20 I CA 0.023 61.420 61.300 0.162 0.000 1.381 20 I CB 0.895 38.941 38.000 0.077 0.000 1.409 20 I HN 0.578 nan 8.210 nan 0.000 0.523 21 Q N 5.939 125.840 119.800 0.167 0.000 2.325 21 Q HA 0.540 4.880 4.340 -0.000 0.000 0.270 21 Q C -1.065 174.934 176.000 -0.002 0.000 1.020 21 Q CA -0.392 55.455 55.803 0.073 0.000 0.785 21 Q CB 2.106 30.950 28.738 0.175 0.000 1.259 21 Q HN 0.720 nan 8.270 nan 0.000 0.452 22 T N 1.421 115.955 114.554 -0.033 0.000 2.802 22 T HA 0.231 4.581 4.350 -0.000 0.000 0.311 22 T C -0.305 174.428 174.700 0.055 0.000 1.405 22 T CA -0.407 61.699 62.100 0.011 0.000 1.016 22 T CB 1.645 70.523 68.868 0.017 0.000 1.352 22 T HN 0.693 nan 8.240 nan 0.000 0.498 23 E N 0.692 120.931 120.200 0.065 0.000 2.474 23 E HA 0.079 4.429 4.350 -0.000 0.000 0.194 23 E C 0.162 176.879 176.600 0.195 0.000 1.041 23 E CA 0.044 56.530 56.400 0.143 0.000 0.874 23 E CB 0.349 30.089 29.700 0.066 0.000 0.914 23 E HN 0.548 nan 8.360 nan 0.000 0.498 24 Q N 2.415 122.261 119.800 0.077 0.000 2.255 24 Q HA -0.005 4.335 4.340 -0.000 0.000 0.280 24 Q C -1.542 174.302 176.000 -0.260 0.000 1.068 24 Q CA -1.107 54.672 55.803 -0.039 0.000 0.911 24 Q CB 0.722 29.422 28.738 -0.062 0.000 1.157 24 Q HN 0.045 nan 8.270 nan 0.000 0.380 25 P HA -0.124 nan 4.420 nan 0.000 0.223 25 P C -0.285 176.512 177.300 -0.840 0.000 1.151 25 P CA 1.435 63.830 63.100 -1.174 0.000 0.787 25 P CB 0.568 31.840 31.700 -0.713 0.000 0.788 26 H N -1.701 117.315 119.070 -0.091 0.000 2.980 26 H HA 0.421 4.977 4.556 -0.000 0.000 0.367 26 H C 0.026 175.341 175.328 -0.021 0.000 1.206 26 H CA -0.787 55.317 56.048 0.093 0.000 1.126 26 H CB 1.348 31.170 29.762 0.100 0.000 1.838 26 H HN -0.147 nan 8.280 nan 0.000 0.552 27 L N 0.313 121.572 121.223 0.059 0.000 2.376 27 L HA 0.293 4.633 4.340 -0.000 0.000 0.267 27 L C 1.212 178.065 176.870 -0.029 0.000 1.035 27 L CA -0.494 54.182 54.840 -0.274 0.000 0.800 27 L CB 1.314 42.842 42.059 -0.885 0.000 1.290 27 L HN 0.644 nan 8.230 nan 0.000 0.462 28 S N -2.093 113.551 115.700 -0.094 0.000 2.524 28 S HA 0.119 4.589 4.470 -0.000 0.000 0.215 28 S C 0.398 175.008 174.600 0.017 0.000 0.986 28 S CA -0.314 57.888 58.200 0.002 0.000 0.911 28 S CB 0.348 63.536 63.200 -0.020 0.000 0.805 28 S HN 0.513 nan 8.310 nan 0.000 0.501 29 S N -0.326 115.326 115.700 -0.080 0.000 2.536 29 S HA 0.649 5.119 4.470 -0.000 0.000 0.271 29 S C -1.630 172.876 174.600 -0.157 0.000 1.134 29 S CA -0.638 57.549 58.200 -0.022 0.000 0.897 29 S CB 1.072 64.238 63.200 -0.057 0.000 1.094 29 S HN 0.300 nan 8.310 nan 0.000 0.473 30 Y N 1.818 122.108 120.300 -0.018 0.000 2.715 30 Y HA 0.327 4.877 4.550 -0.000 0.000 0.255 30 Y C 0.403 176.314 175.900 0.020 0.000 1.139 30 Y CA -0.423 57.680 58.100 0.005 0.000 1.151 30 Y CB 1.292 39.768 38.460 0.028 0.000 1.201 30 Y HN 0.491 nan 8.280 nan 0.000 0.556 31 T N 1.158 115.764 114.554 0.086 0.000 2.824 31 T HA 0.733 5.083 4.350 -0.000 0.000 0.282 31 T C -0.259 174.456 174.700 0.025 0.000 0.993 31 T CA -0.631 61.505 62.100 0.061 0.000 0.967 31 T CB 1.436 70.325 68.868 0.035 0.000 0.960 31 T HN 0.235 nan 8.240 nan 0.000 0.441 32 A N 3.794 126.648 122.820 0.056 0.000 2.312 32 A HA 0.684 5.004 4.320 -0.000 0.000 0.326 32 A C -0.106 177.501 177.584 0.038 0.000 1.172 32 A CA -0.857 51.205 52.037 0.042 0.000 0.821 32 A CB 0.719 19.759 19.000 0.067 0.000 1.166 32 A HN 0.715 nan 8.150 nan 0.000 0.493 33 Q N 2.051 121.841 119.800 -0.016 0.000 2.293 33 Q HA 0.531 4.871 4.340 -0.000 0.000 0.261 33 Q C -1.444 174.477 176.000 -0.132 0.000 0.960 33 Q CA -0.812 54.953 55.803 -0.065 0.000 0.882 33 Q CB 1.891 30.577 28.738 -0.086 0.000 1.275 33 Q HN 0.512 nan 8.270 nan 0.000 0.445 34 L N 3.629 124.757 121.223 -0.157 0.000 2.265 34 L HA 0.459 4.799 4.340 -0.000 0.000 0.288 34 L C -1.116 175.538 176.870 -0.360 0.000 1.058 34 L CA -0.156 54.490 54.840 -0.324 0.000 0.809 34 L CB 0.518 42.331 42.059 -0.411 0.000 1.179 34 L HN 0.662 nan 8.230 nan 0.000 0.429 35 I N 4.979 125.228 120.570 -0.535 0.000 2.436 35 I HA 0.239 4.409 4.170 -0.000 0.000 0.289 35 I C -0.324 175.525 176.117 -0.447 0.000 1.010 35 I CA -0.646 60.313 61.300 -0.569 0.000 1.098 35 I CB 1.672 39.109 38.000 -0.939 0.000 1.266 35 I HN 0.606 nan 8.210 nan 0.000 0.434 36 C N 5.703 124.940 119.300 -0.104 0.000 2.638 36 C HA 0.288 4.747 4.460 -0.000 0.000 0.410 36 C C 1.817 176.748 174.990 -0.097 0.000 1.404 36 C CA 0.038 59.015 59.018 -0.069 0.000 1.651 36 C CB -0.383 27.362 27.740 0.008 0.000 2.495 36 C HN 0.975 nan 8.230 nan 0.000 0.606 37 A N 4.920 127.687 122.820 -0.088 0.000 1.969 37 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 37 A C 2.093 179.714 177.584 0.062 0.000 1.169 37 A CA 2.217 54.337 52.037 0.137 0.000 0.635 37 A CB -0.692 18.365 19.000 0.094 0.000 0.810 37 A HN 0.925 nan 8.150 nan 0.000 0.445 38 T N 0.379 114.919 114.554 -0.023 0.000 2.668 38 T HA -0.116 4.234 4.350 -0.000 0.000 0.258 38 T C 2.341 177.046 174.700 0.008 0.000 1.051 38 T CA 1.993 64.084 62.100 -0.015 0.000 1.155 38 T CB -0.494 68.351 68.868 -0.038 0.000 0.864 38 T HN 0.726 nan 8.240 nan 0.000 0.413 39 S N 0.800 116.503 115.700 0.005 0.000 2.470 39 S HA 0.038 4.508 4.470 -0.000 0.000 0.225 39 S C 0.774 175.391 174.600 0.030 0.000 1.006 39 S CA 0.553 58.763 58.200 0.016 0.000 0.934 39 S CB -0.301 62.907 63.200 0.015 0.000 0.778 39 S HN 0.610 nan 8.310 nan 0.000 0.517 40 E N -0.060 120.166 120.200 0.044 0.000 3.070 40 E HA -0.141 4.209 4.350 -0.000 0.000 0.285 40 E C -0.993 175.617 176.600 0.016 0.000 0.972 40 E CA 0.578 57.019 56.400 0.068 0.000 0.915 40 E CB -1.445 28.323 29.700 0.113 0.000 1.466 40 E HN 0.561 nan 8.360 nan 0.000 0.432 41 Q N 0.486 120.285 119.800 -0.002 0.000 2.259 41 Q HA 0.259 4.598 4.340 -0.000 0.000 0.249 41 Q C 0.149 176.125 176.000 -0.041 0.000 0.914 41 Q CA 0.144 55.942 55.803 -0.009 0.000 0.904 41 Q CB 1.077 29.822 28.738 0.012 0.000 1.213 41 Q HN -0.034 nan 8.270 nan 0.000 0.428 42 T N 1.731 116.254 114.554 -0.051 0.000 2.779 42 T HA 0.188 4.538 4.350 -0.000 0.000 0.296 42 T C 1.371 176.045 174.700 -0.043 0.000 0.938 42 T CA -0.234 61.817 62.100 -0.081 0.000 1.119 42 T CB 0.349 69.171 68.868 -0.078 0.000 0.891 42 T HN 0.499 nan 8.240 nan 0.000 0.526 43 V N 0.753 120.638 119.914 -0.048 0.000 3.431 43 V HA 0.734 4.854 4.120 -0.000 0.000 0.253 43 V C 0.616 176.722 176.094 0.021 0.000 1.184 43 V CA 0.344 62.667 62.300 0.039 0.000 1.104 43 V CB -0.583 31.341 31.823 0.168 0.000 0.799 43 V HN 0.928 nan 8.190 nan 0.000 0.462 44 A N 0.471 123.228 122.820 -0.105 0.000 2.605 44 A HA 0.751 5.070 4.320 -0.000 0.000 0.294 44 A C -0.320 177.064 177.584 -0.333 0.000 1.062 44 A CA 0.174 52.090 52.037 -0.202 0.000 0.682 44 A CB 1.281 20.209 19.000 -0.119 0.000 1.278 44 A HN 0.670 nan 8.150 nan 0.000 0.410 45 T N -1.284 112.952 114.554 -0.530 0.000 2.908 45 T HA 0.891 5.240 4.350 -0.000 0.000 0.290 45 T C -0.801 173.448 174.700 -0.751 0.000 1.034 45 T CA -0.564 61.280 62.100 -0.427 0.000 1.010 45 T CB 1.105 69.853 68.868 -0.200 0.000 1.068 45 T HN 0.678 nan 8.240 nan 0.000 0.481 46 F N -0.205 119.735 119.950 -0.015 0.000 2.631 46 F HA 0.713 5.239 4.527 -0.000 0.000 0.308 46 F C 0.260 176.081 175.800 0.035 0.000 1.097 46 F CA -1.278 56.734 58.000 0.020 0.000 0.952 46 F CB 1.820 40.838 39.000 0.031 0.000 1.307 46 F HN 0.973 nan 8.300 nan 0.000 0.450 47 A N 1.044 124.016 122.820 0.254 0.000 2.340 47 A HA 0.697 5.017 4.320 -0.000 0.000 0.268 47 A C -0.919 176.789 177.584 0.207 0.000 1.100 47 A CA -0.483 51.671 52.037 0.194 0.000 0.803 47 A CB 0.523 19.620 19.000 0.163 0.000 1.043 47 A HN 0.536 nan 8.150 nan 0.000 0.488 48 V N 2.559 122.609 119.914 0.227 0.000 2.370 48 V HA 0.295 4.415 4.120 -0.000 0.000 0.283 48 V C -0.104 176.205 176.094 0.357 0.000 1.023 48 V CA -0.359 62.080 62.300 0.231 0.000 0.857 48 V CB 1.062 32.940 31.823 0.092 0.000 0.985 48 V HN 0.963 nan 8.190 nan 0.000 0.443 49 E N 3.621 123.996 120.200 0.291 0.000 2.151 49 E HA 0.376 4.726 4.350 -0.000 0.000 0.275 49 E C -0.679 176.090 176.600 0.281 0.000 0.936 49 E CA -0.618 55.940 56.400 0.263 0.000 0.777 49 E CB 1.898 31.690 29.700 0.154 0.000 1.108 49 E HN 0.638 nan 8.360 nan 0.000 0.401 50 E N 2.463 122.836 120.200 0.289 0.000 2.384 50 E HA -0.034 4.316 4.350 -0.000 0.000 0.266 50 E C 0.394 176.987 176.600 -0.013 0.000 1.012 50 E CA 0.190 56.652 56.400 0.103 0.000 0.901 50 E CB 0.894 30.693 29.700 0.164 0.000 0.967 50 E HN 0.482 nan 8.360 nan 0.000 0.435 51 Q N 1.309 121.031 119.800 -0.131 0.000 2.422 51 Q HA 0.180 4.520 4.340 -0.000 0.000 0.255 51 Q C 0.977 176.967 176.000 -0.017 0.000 0.864 51 Q CA 0.675 56.453 55.803 -0.041 0.000 0.968 51 Q CB 1.400 30.132 28.738 -0.011 0.000 1.130 51 Q HN 0.814 nan 8.270 nan 0.000 0.556 52 G N 1.983 110.761 108.800 -0.037 0.000 2.512 52 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.210 52 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.210 52 G C -0.782 174.167 174.900 0.082 0.000 1.295 52 G CA -0.690 44.464 45.100 0.090 0.000 0.934 52 G HN -0.003 nan 8.290 nan 0.000 0.554 53 K N -0.395 119.985 120.400 -0.033 0.000 2.258 53 K HA 0.541 4.861 4.320 -0.000 0.000 0.264 53 K C -0.007 176.589 176.600 -0.006 0.000 1.007 53 K CA -0.305 55.934 56.287 -0.079 0.000 0.941 53 K CB 1.608 34.003 32.500 -0.176 0.000 0.966 53 K HN 0.580 nan 8.250 nan 0.000 0.480 54 V N 2.045 121.942 119.914 -0.028 0.000 2.448 54 V HA 0.300 4.420 4.120 -0.000 0.000 0.295 54 V C 0.782 176.603 176.094 -0.455 0.000 1.025 54 V CA 0.075 62.146 62.300 -0.381 0.000 0.859 54 V CB 0.777 32.032 31.823 -0.947 0.000 0.988 54 V HN 1.059 nan 8.190 nan 0.000 0.431 55 A N 5.378 128.022 122.820 -0.295 0.000 5.273 55 A HA -0.376 3.944 4.320 -0.000 0.000 0.350 55 A C 1.090 178.661 177.584 -0.023 0.000 1.652 55 A CA 2.585 54.550 52.037 -0.120 0.000 0.709 55 A CB -1.363 17.586 19.000 -0.084 0.000 1.486 55 A HN 1.008 nan 8.150 nan 0.000 0.411 56 N N -1.808 116.952 118.700 0.100 0.000 2.351 56 N HA 0.273 5.012 4.740 -0.000 0.000 0.254 56 N C -0.932 174.775 175.510 0.329 0.000 1.241 56 N CA -0.345 52.804 53.050 0.166 0.000 0.883 56 N CB 0.171 38.740 38.487 0.136 0.000 1.202 56 N HN 0.539 nan 8.380 nan 0.000 0.512 57 W N 1.813 123.149 121.300 0.060 0.000 2.264 57 W HA 0.066 4.726 4.660 -0.000 0.000 0.331 57 W C 1.759 178.306 176.519 0.047 0.000 1.364 57 W CA -0.446 56.938 57.345 0.065 0.000 1.253 57 W CB -0.034 29.448 29.460 0.037 0.000 1.215 57 W HN 0.302 nan 8.180 nan 0.000 0.561 58 H N 0.763 119.941 119.070 0.179 0.000 2.556 58 H HA -0.011 4.545 4.556 -0.000 0.000 0.268 58 H C 0.884 176.223 175.328 0.018 0.000 0.996 58 H CA 0.808 56.895 56.048 0.064 0.000 1.157 58 H CB -0.127 29.647 29.762 0.020 0.000 1.355 58 H HN 0.398 nan 8.280 nan 0.000 0.597 59 Q N 0.891 120.551 119.800 -0.234 0.000 2.378 59 Q HA 0.199 4.539 4.340 -0.000 0.000 0.205 59 Q C 1.208 177.056 176.000 -0.253 0.000 0.954 59 Q CA 0.915 56.580 55.803 -0.230 0.000 0.901 59 Q CB 0.502 29.152 28.738 -0.148 0.000 0.981 59 Q HN 0.795 nan 8.270 nan 0.000 0.483 60 G N -1.154 107.481 108.800 -0.276 0.000 2.715 60 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.221 60 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.221 60 G C -1.135 173.326 174.900 -0.731 0.000 1.204 60 G CA -0.550 44.301 45.100 -0.414 0.000 1.063 60 G HN 0.102 nan 8.290 nan 0.000 0.586 61 Y N 0.306 120.296 120.300 -0.518 0.000 2.387 61 Y HA 0.749 5.299 4.550 -0.000 0.000 0.336 61 Y C 0.031 175.515 175.900 -0.694 0.000 1.067 61 Y CA -0.455 57.356 58.100 -0.482 0.000 1.114 61 Y CB 1.575 39.905 38.460 -0.218 0.000 1.208 61 Y HN 0.419 nan 8.280 nan 0.000 0.458 62 F N 1.877 121.791 119.950 -0.061 0.000 2.520 62 F HA 0.541 5.068 4.527 -0.000 0.000 0.322 62 F C -1.183 174.446 175.800 -0.286 0.000 1.103 62 F CA -1.324 56.638 58.000 -0.062 0.000 0.926 62 F CB 1.236 40.201 39.000 -0.058 0.000 1.154 62 F HN 0.281 nan 8.300 nan 0.000 0.453 63 Y N 2.795 123.189 120.300 0.155 0.000 2.361 63 Y HA 0.542 5.092 4.550 -0.000 0.000 0.337 63 Y C -0.670 175.264 175.900 0.056 0.000 0.965 63 Y CA -0.950 57.205 58.100 0.092 0.000 1.091 63 Y CB 1.905 40.384 38.460 0.032 0.000 1.182 63 Y HN 0.485 nan 8.280 nan 0.000 0.450 64 L N 4.777 126.100 121.223 0.166 0.000 2.312 64 L HA 0.618 4.958 4.340 -0.000 0.000 0.281 64 L C -1.058 175.881 176.870 0.115 0.000 1.070 64 L CA -0.103 54.794 54.840 0.093 0.000 0.805 64 L CB 0.420 42.510 42.059 0.052 0.000 1.174 64 L HN 0.573 nan 8.230 nan 0.000 0.434 65 I N 4.204 124.825 120.570 0.085 0.000 2.418 65 I HA 0.285 4.455 4.170 -0.000 0.000 0.287 65 I C -1.072 175.076 176.117 0.052 0.000 1.008 65 I CA -0.457 60.891 61.300 0.081 0.000 1.104 65 I CB 1.726 39.760 38.000 0.056 0.000 1.264 65 I HN 0.491 nan 8.210 nan 0.000 0.438 66 D N 6.558 126.970 120.400 0.019 0.000 2.460 66 D HA 0.225 4.865 4.640 -0.000 0.000 0.232 66 D C -0.039 176.125 176.300 -0.226 0.000 1.079 66 D CA -0.484 53.474 54.000 -0.070 0.000 0.864 66 D CB 0.634 41.422 40.800 -0.020 0.000 1.048 66 D HN 0.395 nan 8.370 nan 0.000 0.523 67 F N 1.384 120.953 119.950 -0.636 0.000 2.647 67 F HA 0.337 4.864 4.527 -0.000 0.000 0.300 67 F C 1.457 177.002 175.800 -0.425 0.000 1.106 67 F CA -0.707 56.653 58.000 -1.065 0.000 1.313 67 F CB 0.013 38.111 39.000 -1.502 0.000 1.007 67 F HN 0.069 nan 8.300 nan 0.000 0.536 68 S N 0.971 116.417 115.700 -0.425 0.000 2.392 68 S HA -0.289 4.181 4.470 -0.000 0.000 0.232 68 S C 2.245 176.807 174.600 -0.063 0.000 1.041 68 S CA 2.117 60.156 58.200 -0.268 0.000 1.026 68 S CB -0.563 62.543 63.200 -0.157 0.000 0.845 68 S HN 0.730 nan 8.310 nan 0.000 0.465 69 S N 0.378 116.119 115.700 0.069 0.000 2.481 69 S HA 0.045 4.515 4.470 -0.000 0.000 0.231 69 S C 0.442 175.172 174.600 0.217 0.000 0.996 69 S CA -0.015 58.277 58.200 0.153 0.000 0.942 69 S CB -0.543 62.786 63.200 0.216 0.000 0.768 69 S HN 0.381 nan 8.310 nan 0.000 0.520 70 F N 4.058 124.102 119.950 0.156 0.000 2.504 70 F HA 0.396 4.923 4.527 -0.000 0.000 0.369 70 F C 0.897 176.733 175.800 0.061 0.000 1.082 70 F CA 0.415 58.512 58.000 0.162 0.000 1.216 70 F CB 0.985 40.143 39.000 0.263 0.000 1.108 70 F HN 0.155 nan 8.300 nan 0.000 0.554 71 T N 0.535 114.791 114.554 -0.497 0.000 3.516 71 T HA 0.279 4.629 4.350 -0.000 0.000 0.300 71 T C -0.794 173.681 174.700 -0.375 0.000 0.995 71 T CA -0.658 61.269 62.100 -0.288 0.000 0.982 71 T CB -0.455 68.327 68.868 -0.143 0.000 1.199 71 T HN 0.346 nan 8.240 nan 0.000 0.481 72 D N 1.696 121.654 120.400 -0.737 0.000 2.192 72 D HA 0.527 5.167 4.640 -0.000 0.000 0.246 72 D C -0.137 176.248 176.300 0.140 0.000 1.042 72 D CA -0.226 53.587 54.000 -0.311 0.000 0.847 72 D CB 2.147 42.736 40.800 -0.353 0.000 1.186 72 D HN 0.149 nan 8.370 nan 0.000 0.461 73 S N 0.216 116.028 115.700 0.186 0.000 2.585 73 S HA 0.710 5.179 4.470 -0.000 0.000 0.273 73 S C 0.565 175.372 174.600 0.345 0.000 1.339 73 S CA 0.076 58.441 58.200 0.274 0.000 1.028 73 S CB 1.193 64.485 63.200 0.155 0.000 0.906 73 S HN 0.721 nan 8.310 nan 0.000 0.528 74 G N 1.815 110.782 108.800 0.278 0.000 2.346 74 G HA2 0.187 4.147 3.960 -0.000 0.000 0.294 74 G HA3 0.187 4.147 3.960 -0.000 0.000 0.294 74 G C -2.398 172.389 174.900 -0.187 0.000 1.294 74 G CA -1.017 44.075 45.100 -0.013 0.000 0.962 74 G HN 0.580 nan 8.290 nan 0.000 0.508 75 D N -0.168 119.941 120.400 -0.485 0.000 2.217 75 D HA 0.726 5.366 4.640 -0.000 0.000 0.243 75 D C -0.779 175.077 176.300 -0.740 0.000 1.054 75 D CA 0.192 53.957 54.000 -0.393 0.000 0.838 75 D CB 1.323 42.026 40.800 -0.162 0.000 1.162 75 D HN 0.424 nan 8.370 nan 0.000 0.472 76 Y N 0.668 120.791 120.300 -0.295 0.000 2.615 76 Y HA 0.623 5.172 4.550 -0.000 0.000 0.341 76 Y C -0.662 174.790 175.900 -0.748 0.000 1.089 76 Y CA -1.367 56.433 58.100 -0.500 0.000 1.049 76 Y CB 1.320 39.473 38.460 -0.512 0.000 1.296 76 Y HN 0.350 nan 8.280 nan 0.000 0.470 77 F N -1.042 118.660 119.950 -0.413 0.000 2.643 77 F HA 0.872 5.399 4.527 -0.000 0.000 0.314 77 F C -2.045 173.669 175.800 -0.144 0.000 1.096 77 F CA -1.453 56.333 58.000 -0.356 0.000 0.953 77 F CB 0.992 39.888 39.000 -0.174 0.000 1.345 77 F HN 0.255 nan 8.300 nan 0.000 0.468 78 L N 1.695 123.014 121.223 0.161 0.000 2.360 78 L HA 0.631 4.971 4.340 -0.000 0.000 0.271 78 L C -0.674 176.284 176.870 0.146 0.000 1.057 78 L CA -0.600 54.257 54.840 0.028 0.000 0.803 78 L CB 1.859 43.921 42.059 0.004 0.000 1.207 78 L HN 0.813 nan 8.230 nan 0.000 0.445 79 Q N 1.270 121.097 119.800 0.044 0.000 2.309 79 Q HA 0.653 4.993 4.340 -0.000 0.000 0.273 79 Q C -2.027 173.981 176.000 0.014 0.000 1.040 79 Q CA -0.546 55.303 55.803 0.077 0.000 0.834 79 Q CB 2.560 31.369 28.738 0.119 0.000 1.345 79 Q HN 0.382 nan 8.270 nan 0.000 0.414 80 V N 3.773 123.686 119.914 -0.001 0.000 2.569 80 V HA 0.269 4.389 4.120 -0.000 0.000 0.301 80 V C 0.460 176.524 176.094 -0.050 0.000 1.044 80 V CA -0.475 61.800 62.300 -0.042 0.000 0.874 80 V CB 1.272 33.042 31.823 -0.087 0.000 1.002 80 V HN 1.096 nan 8.190 nan 0.000 0.424 81 E N 3.208 123.380 120.200 -0.046 0.000 3.533 81 E HA -0.368 3.982 4.350 -0.000 0.000 0.457 81 E C 1.157 177.733 176.600 -0.041 0.000 1.598 81 E CA 2.812 59.182 56.400 -0.050 0.000 1.248 81 E CB -0.756 28.895 29.700 -0.081 0.000 1.278 81 E HN 0.911 nan 8.360 nan 0.000 0.395 82 D N -0.543 119.822 120.400 -0.058 0.000 2.097 82 D HA 0.050 4.689 4.640 -0.000 0.000 0.195 82 D C 0.561 176.841 176.300 -0.032 0.000 0.989 82 D CA 1.541 55.513 54.000 -0.048 0.000 0.827 82 D CB -0.070 40.691 40.800 -0.065 0.000 0.966 82 D HN 0.071 nan 8.370 nan 0.000 0.456 83 S N -1.164 114.518 115.700 -0.030 0.000 2.607 83 S HA 0.599 5.069 4.470 -0.000 0.000 0.303 83 S C -0.768 173.845 174.600 0.022 0.000 1.086 83 S CA -0.829 57.365 58.200 -0.011 0.000 0.995 83 S CB 1.894 65.084 63.200 -0.017 0.000 1.084 83 S HN -0.005 nan 8.310 nan 0.000 0.507 84 R N 1.508 122.028 120.500 0.033 0.000 2.604 84 R HA 0.424 4.764 4.340 -0.000 0.000 0.281 84 R C -0.606 175.741 176.300 0.078 0.000 1.020 84 R CA -0.389 55.758 56.100 0.078 0.000 0.899 84 R CB 1.762 32.071 30.300 0.015 0.000 1.205 84 R HN 0.831 nan 8.270 nan 0.000 0.450 85 S N 1.812 117.612 115.700 0.167 0.000 2.645 85 S HA 0.322 4.792 4.470 -0.000 0.000 0.266 85 S C 0.344 175.018 174.600 0.123 0.000 1.258 85 S CA -0.432 57.878 58.200 0.184 0.000 0.990 85 S CB 1.102 64.495 63.200 0.322 0.000 0.967 85 S HN 0.679 nan 8.310 nan 0.000 0.556 86 S N 0.684 116.451 115.700 0.111 0.000 2.634 86 S HA 0.352 4.822 4.470 -0.000 0.000 0.261 86 S C 0.019 174.702 174.600 0.139 0.000 1.271 86 S CA -0.658 57.566 58.200 0.041 0.000 0.985 86 S CB -0.139 63.038 63.200 -0.039 0.000 0.968 86 S HN 0.783 nan 8.310 nan 0.000 0.568 87 T N 2.645 117.226 114.554 0.045 0.000 2.761 87 T HA 0.487 4.837 4.350 -0.000 0.000 0.296 87 T C -0.340 174.417 174.700 0.096 0.000 0.934 87 T CA -0.237 61.864 62.100 0.000 0.000 1.091 87 T CB -0.764 68.090 68.868 -0.022 0.000 0.896 87 T HN 0.496 nan 8.240 nan 0.000 0.515 88 F N 0.340 120.433 119.950 0.239 0.000 2.541 88 F HA 0.804 5.331 4.527 -0.000 0.000 0.331 88 F C 0.236 176.211 175.800 0.291 0.000 1.057 88 F CA -1.291 56.870 58.000 0.267 0.000 0.975 88 F CB 0.534 39.760 39.000 0.377 0.000 1.246 88 F HN 0.201 nan 8.300 nan 0.000 0.484 89 T N 1.457 116.309 114.554 0.497 0.000 2.867 89 T HA 0.593 4.943 4.350 -0.000 0.000 0.282 89 T C -0.690 174.356 174.700 0.576 0.000 1.000 89 T CA -0.587 61.755 62.100 0.404 0.000 1.042 89 T CB 1.714 70.736 68.868 0.256 0.000 0.973 89 T HN 0.526 nan 8.240 nan 0.000 0.465 90 V N 2.287 122.545 119.914 0.574 0.000 2.384 90 V HA 0.880 5.000 4.120 -0.000 0.000 0.287 90 V C 0.544 176.848 176.094 0.350 0.000 1.020 90 V CA -0.231 62.397 62.300 0.546 0.000 0.850 90 V CB 1.087 33.323 31.823 0.688 0.000 0.987 90 V HN 1.174 nan 8.190 nan 0.000 0.436 91 G N 3.507 112.458 108.800 0.251 0.000 2.451 91 G HA2 0.481 4.441 3.960 -0.000 0.000 0.292 91 G HA3 0.481 4.441 3.960 -0.000 0.000 0.292 91 G C -1.508 173.439 174.900 0.079 0.000 1.427 91 G CA -0.828 44.365 45.100 0.154 0.000 0.792 91 G HN 0.532 nan 8.290 nan 0.000 0.498 92 E N 0.103 120.313 120.200 0.017 0.000 2.376 92 E HA 0.412 4.762 4.350 -0.000 0.000 0.266 92 E C -0.054 176.512 176.600 -0.057 0.000 1.009 92 E CA 0.340 56.662 56.400 -0.130 0.000 0.902 92 E CB 0.102 29.715 29.700 -0.144 0.000 0.972 92 E HN 0.645 nan 8.360 nan 0.000 0.439 93 H N 0.888 119.981 119.070 0.039 0.000 2.770 93 H HA -0.228 4.328 4.556 -0.000 0.000 0.309 93 H C 0.854 176.206 175.328 0.040 0.000 1.206 93 H CA 0.185 56.247 56.048 0.023 0.000 1.147 93 H CB -1.234 28.534 29.762 0.010 0.000 1.422 93 H HN 0.492 nan 8.280 nan 0.000 0.420 94 I N 0.236 120.878 120.570 0.120 0.000 2.202 94 I HA -0.196 3.974 4.170 -0.000 0.000 0.242 94 I C 2.014 178.190 176.117 0.098 0.000 1.091 94 I CA 1.532 62.903 61.300 0.118 0.000 1.368 94 I CB -0.144 37.934 38.000 0.131 0.000 1.058 94 I HN 0.471 nan 8.210 nan 0.000 0.410 95 L N -0.755 120.514 121.223 0.077 0.000 2.093 95 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 95 L C 2.422 179.322 176.870 0.050 0.000 1.085 95 L CA 0.837 55.715 54.840 0.062 0.000 0.755 95 L CB -0.705 41.384 42.059 0.051 0.000 0.904 95 L HN 0.334 nan 8.230 nan 0.000 0.435 96 L N 0.372 121.624 121.223 0.049 0.000 1.955 96 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 96 L C 2.286 179.191 176.870 0.058 0.000 1.072 96 L CA 1.888 56.750 54.840 0.036 0.000 0.755 96 L CB -0.677 41.401 42.059 0.032 0.000 0.888 96 L HN 0.203 nan 8.230 nan 0.000 0.432 97 N N -0.616 118.135 118.700 0.085 0.000 2.132 97 N HA -0.212 4.528 4.740 -0.000 0.000 0.191 97 N C 1.788 177.358 175.510 0.100 0.000 1.015 97 N CA 1.463 54.569 53.050 0.092 0.000 0.864 97 N CB -0.227 38.327 38.487 0.112 0.000 1.006 97 N HN 0.491 nan 8.380 nan 0.000 0.430 98 Q N -1.343 118.515 119.800 0.098 0.000 2.339 98 Q HA 0.100 4.440 4.340 -0.000 0.000 0.205 98 Q C 1.587 177.641 176.000 0.090 0.000 0.925 98 Q CA 1.266 57.139 55.803 0.116 0.000 0.898 98 Q CB 0.262 29.060 28.738 0.100 0.000 1.013 98 Q HN 0.637 nan 8.270 nan 0.000 0.504 99 T N -3.118 111.456 114.554 0.033 0.000 2.958 99 T HA 0.082 4.431 4.350 -0.000 0.000 0.256 99 T C 1.659 176.439 174.700 0.132 0.000 0.983 99 T CA -0.064 62.030 62.100 -0.009 0.000 0.924 99 T CB -0.078 68.740 68.868 -0.083 0.000 1.136 99 T HN 0.024 nan 8.240 nan 0.000 0.506 100 L N 2.364 123.656 121.223 0.114 0.000 1.994 100 L HA 0.130 4.470 4.340 -0.000 0.000 0.208 100 L C 2.648 179.580 176.870 0.103 0.000 1.071 100 L CA 2.315 57.219 54.840 0.108 0.000 0.745 100 L CB -1.143 40.947 42.059 0.052 0.000 0.892 100 L HN 0.379 nan 8.230 nan 0.000 0.431 101 S N -0.819 114.931 115.700 0.084 0.000 2.387 101 S HA -0.228 4.242 4.470 -0.000 0.000 0.230 101 S C 1.708 176.340 174.600 0.053 0.000 1.035 101 S CA 1.736 59.954 58.200 0.030 0.000 1.014 101 S CB -0.555 62.689 63.200 0.073 0.000 0.836 101 S HN 0.637 nan 8.310 nan 0.000 0.466 102 D N 0.492 121.007 120.400 0.190 0.000 2.183 102 D HA -0.021 4.619 4.640 -0.000 0.000 0.203 102 D C 2.044 178.479 176.300 0.226 0.000 0.969 102 D CA 0.908 55.065 54.000 0.261 0.000 0.842 102 D CB -0.371 40.621 40.800 0.321 0.000 0.957 102 D HN 0.355 nan 8.370 nan 0.000 0.484 103 V N 1.283 121.312 119.914 0.192 0.000 2.427 103 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 103 V C 2.487 178.746 176.094 0.275 0.000 1.051 103 V CA 0.897 63.321 62.300 0.206 0.000 1.048 103 V CB -0.322 31.654 31.823 0.255 0.000 0.666 103 V HN 0.153 nan 8.190 nan 0.000 0.456 104 I N -0.622 120.069 120.570 0.201 0.000 2.142 104 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 104 I C 2.602 178.814 176.117 0.159 0.000 1.078 104 I CA 1.529 62.927 61.300 0.164 0.000 1.343 104 I CB -0.723 37.266 38.000 -0.017 0.000 1.046 104 I HN 0.321 nan 8.210 nan 0.000 0.405 105 H N -0.228 118.940 119.070 0.162 0.000 2.422 105 H HA -0.238 4.318 4.556 -0.000 0.000 0.298 105 H C 2.004 177.408 175.328 0.127 0.000 1.098 105 H CA 1.751 57.877 56.048 0.131 0.000 1.315 105 H CB -0.585 29.252 29.762 0.125 0.000 1.382 105 H HN 0.458 nan 8.280 nan 0.000 0.523 106 Y N 0.668 121.028 120.300 0.099 0.000 2.145 106 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 106 Y C 2.002 177.832 175.900 -0.116 0.000 1.145 106 Y CA 1.252 59.313 58.100 -0.065 0.000 1.148 106 Y CB -0.879 37.438 38.460 -0.239 0.000 0.981 106 Y HN -0.066 nan 8.280 nan 0.000 0.507 107 F N 0.837 120.643 119.950 -0.240 0.000 2.113 107 F HA -0.087 4.440 4.527 -0.000 0.000 0.297 107 F C 2.599 178.339 175.800 -0.100 0.000 1.103 107 F CA 1.980 59.710 58.000 -0.449 0.000 1.248 107 F CB -0.792 37.934 39.000 -0.457 0.000 0.999 107 F HN -0.026 nan 8.300 nan 0.000 0.475 108 K N 0.372 120.879 120.400 0.178 0.000 2.103 108 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 108 K C 2.306 178.944 176.600 0.063 0.000 1.048 108 K CA 1.614 57.965 56.287 0.107 0.000 0.930 108 K CB -0.250 32.322 32.500 0.119 0.000 0.716 108 K HN 0.304 nan 8.250 nan 0.000 0.444 109 S N -0.138 115.607 115.700 0.075 0.000 2.447 109 S HA -0.103 4.366 4.470 -0.000 0.000 0.233 109 S C 1.547 176.209 174.600 0.104 0.000 1.006 109 S CA 0.733 58.983 58.200 0.084 0.000 0.957 109 S CB 0.004 63.267 63.200 0.106 0.000 0.773 109 S HN 0.269 nan 8.310 nan 0.000 0.507 110 Q N 0.730 120.561 119.800 0.052 0.000 2.319 110 Q HA 0.303 4.643 4.340 -0.000 0.000 0.202 110 Q C 0.106 176.167 176.000 0.101 0.000 0.896 110 Q CA -0.004 55.875 55.803 0.127 0.000 0.942 110 Q CB 0.045 28.738 28.738 -0.075 0.000 1.083 110 Q HN 0.624 nan 8.270 nan 0.000 0.510 111 R N -0.003 120.541 120.500 0.073 0.000 2.640 111 R HA 0.008 4.348 4.340 -0.000 0.000 0.270 111 R C 0.122 176.160 176.300 -0.437 0.000 1.024 111 R CA -0.013 55.967 56.100 -0.199 0.000 1.085 111 R CB 0.342 30.371 30.300 -0.452 0.000 0.963 111 R HN 0.097 nan 8.270 nan 0.000 0.426 112 C N 2.762 121.750 119.300 -0.519 0.000 2.648 112 C HA 0.476 4.936 4.460 -0.000 0.000 0.419 112 C C 0.880 175.863 174.990 -0.012 0.000 1.352 112 C CA 0.474 59.179 59.018 -0.522 0.000 1.816 112 C CB -0.931 26.629 27.740 -0.299 0.000 2.598 112 C HN 0.875 nan 8.230 nan 0.000 0.598 113 G N 3.199 112.143 108.800 0.240 0.000 2.687 113 G HA2 0.687 4.647 3.960 -0.000 0.000 0.291 113 G HA3 0.687 4.647 3.960 -0.000 0.000 0.291 113 G C 0.065 175.158 174.900 0.321 0.000 1.420 113 G CA 0.250 45.505 45.100 0.257 0.000 0.796 113 G HN 1.840 nan 8.290 nan 0.000 0.485 114 G N -1.229 107.680 108.800 0.182 0.000 2.614 114 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.303 114 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.303 114 G C 1.596 176.497 174.900 0.002 0.000 1.270 114 G CA 2.255 47.409 45.100 0.090 0.000 0.988 114 G HN 2.112 nan 8.290 nan 0.000 0.551 115 V N -2.221 117.582 119.914 -0.183 0.000 2.594 115 V HA 0.016 4.136 4.120 -0.000 0.000 0.253 115 V C 2.496 178.408 176.094 -0.304 0.000 1.069 115 V CA 2.931 65.042 62.300 -0.315 0.000 1.082 115 V CB -0.999 30.544 31.823 -0.467 0.000 0.680 115 V HN 0.609 nan 8.190 nan 0.000 0.469 116 F N 1.293 121.307 119.950 0.108 0.000 2.118 116 F HA 0.087 4.614 4.527 -0.000 0.000 0.293 116 F C 2.280 178.157 175.800 0.128 0.000 1.102 116 F CA 1.666 59.746 58.000 0.133 0.000 1.247 116 F CB -1.033 38.109 39.000 0.237 0.000 1.017 116 F HN 0.189 nan 8.300 nan 0.000 0.475 117 D N -0.198 120.391 120.400 0.315 0.000 2.144 117 D HA -0.153 4.486 4.640 -0.000 0.000 0.199 117 D C 2.125 178.502 176.300 0.128 0.000 0.984 117 D CA 1.181 55.310 54.000 0.215 0.000 0.834 117 D CB -0.100 40.819 40.800 0.197 0.000 0.955 117 D HN 0.259 nan 8.370 nan 0.000 0.465 118 Q N -0.570 119.271 119.800 0.068 0.000 2.084 118 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 118 Q C 2.008 178.017 176.000 0.015 0.000 0.978 118 Q CA 1.380 57.190 55.803 0.012 0.000 0.844 118 Q CB -0.077 28.651 28.738 -0.017 0.000 0.898 118 Q HN 0.185 nan 8.270 nan 0.000 0.426 119 Q N 0.963 120.779 119.800 0.026 0.000 2.124 119 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 119 Q C 0.719 176.746 176.000 0.045 0.000 0.977 119 Q CA 1.570 57.387 55.803 0.024 0.000 0.850 119 Q CB -0.056 28.699 28.738 0.028 0.000 0.901 119 Q HN 0.277 nan 8.270 nan 0.000 0.429 120 D N -0.539 119.916 120.400 0.091 0.000 2.378 120 D HA -0.055 4.585 4.640 -0.000 0.000 0.227 120 D C 0.752 177.119 176.300 0.112 0.000 1.012 120 D CA 0.410 54.476 54.000 0.110 0.000 0.905 120 D CB 0.018 40.918 40.800 0.167 0.000 0.895 120 D HN 0.382 nan 8.370 nan 0.000 0.532 121 R N -0.170 120.375 120.500 0.076 0.000 2.317 121 R HA 0.181 4.521 4.340 -0.000 0.000 0.208 121 R C 0.584 176.896 176.300 0.020 0.000 0.914 121 R CA 0.232 56.367 56.100 0.059 0.000 1.060 121 R CB 0.590 30.889 30.300 -0.003 0.000 1.015 121 R HN -0.020 nan 8.270 nan 0.000 0.498 122 Q N 0.958 120.760 119.800 0.004 0.000 2.781 122 Q HA 0.158 4.498 4.340 -0.000 0.000 0.316 122 Q C -1.319 174.659 176.000 -0.036 0.000 0.768 122 Q CA -0.027 55.764 55.803 -0.019 0.000 1.035 122 Q CB 2.007 30.733 28.738 -0.019 0.000 1.466 122 Q HN 0.018 nan 8.270 nan 0.000 0.379 123 V N 1.029 120.909 119.914 -0.056 0.000 2.432 123 V HA 0.366 4.486 4.120 -0.000 0.000 0.275 123 V C -2.233 173.786 176.094 -0.125 0.000 1.043 123 V CA -2.149 60.101 62.300 -0.084 0.000 0.925 123 V CB 0.777 32.541 31.823 -0.099 0.000 0.985 123 V HN 0.180 nan 8.190 nan 0.000 0.466 124 P HA 0.069 nan 4.420 nan 0.000 0.261 124 P C -0.360 176.833 177.300 -0.178 0.000 1.203 124 P CA 0.179 63.209 63.100 -0.117 0.000 0.767 124 P CB 0.327 31.975 31.700 -0.086 0.000 0.785 125 V N 6.058 125.846 119.914 -0.210 0.000 2.389 125 V HA 0.051 4.171 4.120 -0.000 0.000 0.264 125 V C 0.798 176.791 176.094 -0.169 0.000 1.049 125 V CA -0.627 61.481 62.300 -0.319 0.000 0.932 125 V CB 0.597 32.209 31.823 -0.352 0.000 1.011 125 V HN 0.417 nan 8.190 nan 0.000 0.475 126 L N 6.815 127.961 121.223 -0.128 0.000 2.559 126 L HA 0.153 4.493 4.340 -0.000 0.000 0.274 126 L C 0.999 177.950 176.870 0.134 0.000 1.205 126 L CA 0.776 55.633 54.840 0.028 0.000 0.907 126 L CB -0.413 41.697 42.059 0.084 0.000 1.153 126 L HN 0.824 nan 8.230 nan 0.000 0.490 127 N N 2.987 121.741 118.700 0.090 0.000 2.727 127 N HA -0.250 4.490 4.740 -0.000 0.000 0.249 127 N C 0.202 175.784 175.510 0.121 0.000 1.048 127 N CA 1.116 54.226 53.050 0.100 0.000 0.714 127 N CB -1.161 37.395 38.487 0.115 0.000 0.959 127 N HN 0.749 nan 8.380 nan 0.000 0.544 128 A N -0.751 122.125 122.820 0.094 0.000 2.600 128 A HA 0.304 4.623 4.320 -0.000 0.000 0.252 128 A C 0.954 178.570 177.584 0.053 0.000 1.200 128 A CA 0.503 52.601 52.037 0.102 0.000 0.981 128 A CB 0.307 19.389 19.000 0.138 0.000 1.207 128 A HN 0.233 nan 8.150 nan 0.000 0.577 129 N N 0.212 118.929 118.700 0.029 0.000 2.721 129 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 129 N C 0.097 175.609 175.510 0.004 0.000 1.072 129 N CA 1.654 54.712 53.050 0.013 0.000 0.710 129 N CB -1.011 37.488 38.487 0.019 0.000 0.993 129 N HN 0.912 nan 8.380 nan 0.000 0.547 130 Q N -3.789 116.006 119.800 -0.009 0.000 2.878 130 Q HA 0.685 5.025 4.340 -0.000 0.000 0.341 130 Q C -1.195 174.774 176.000 -0.051 0.000 0.824 130 Q CA -0.929 54.862 55.803 -0.020 0.000 0.811 130 Q CB 1.209 29.945 28.738 -0.003 0.000 1.364 130 Q HN -0.001 nan 8.270 nan 0.000 0.514 131 T N -0.360 114.160 114.554 -0.056 0.000 2.956 131 T HA 0.762 5.112 4.350 -0.000 0.000 0.312 131 T C -1.829 172.821 174.700 -0.083 0.000 1.151 131 T CA -0.147 61.907 62.100 -0.077 0.000 1.024 131 T CB 1.792 70.629 68.868 -0.051 0.000 1.140 131 T HN 0.745 nan 8.240 nan 0.000 0.473 132 A N 1.901 124.647 122.820 -0.122 0.000 2.374 132 A HA 0.707 5.027 4.320 -0.000 0.000 0.317 132 A C -0.965 176.586 177.584 -0.055 0.000 1.094 132 A CA -0.665 51.307 52.037 -0.108 0.000 0.765 132 A CB 1.362 20.224 19.000 -0.230 0.000 1.268 132 A HN 0.714 nan 8.150 nan 0.000 0.438 133 D N 1.873 122.272 120.400 -0.002 0.000 2.468 133 D HA 0.314 4.954 4.640 -0.000 0.000 0.218 133 D C 0.238 176.588 176.300 0.082 0.000 1.155 133 D CA -0.010 54.031 54.000 0.070 0.000 0.924 133 D CB 0.551 41.416 40.800 0.109 0.000 1.029 133 D HN 0.526 nan 8.370 nan 0.000 0.515 134 V N 2.710 122.674 119.914 0.082 0.000 2.843 134 V HA 0.289 4.409 4.120 -0.000 0.000 0.366 134 V C 0.612 176.850 176.094 0.239 0.000 1.283 134 V CA -0.837 61.517 62.300 0.090 0.000 1.303 134 V CB -0.857 30.979 31.823 0.022 0.000 1.418 134 V HN 0.594 nan 8.190 nan 0.000 0.598 135 H N 0.545 119.700 119.070 0.141 0.000 2.771 135 H HA 0.649 5.205 4.556 -0.000 0.000 0.364 135 H C 0.408 175.796 175.328 0.100 0.000 1.133 135 H CA 0.779 56.893 56.048 0.110 0.000 1.423 135 H CB 1.349 31.150 29.762 0.066 0.000 1.425 135 H HN 0.986 nan 8.280 nan 0.000 0.606 136 G N 0.132 108.868 108.800 -0.106 0.000 2.483 136 G HA2 0.366 4.326 3.960 -0.000 0.000 0.521 136 G HA3 0.366 4.326 3.960 -0.000 0.000 0.521 136 G C 0.095 174.478 174.900 -0.863 0.000 1.278 136 G CA 0.403 45.217 45.100 -0.477 0.000 0.965 136 G HN 1.961 nan 8.290 nan 0.000 0.504 137 G N -2.000 105.978 108.800 -1.369 0.000 2.741 137 G HA2 0.135 4.094 3.960 -0.000 0.000 0.222 137 G HA3 0.135 4.094 3.960 -0.000 0.000 0.222 137 G C 0.071 174.450 174.900 -0.869 0.000 1.364 137 G CA 0.415 44.614 45.100 -1.502 0.000 0.866 137 G HN 1.703 nan 8.290 nan 0.000 0.555 138 W N -1.004 120.139 121.300 -0.263 0.000 2.639 138 W HA 0.584 5.244 4.660 -0.000 0.000 0.347 138 W C -0.280 176.138 176.519 -0.168 0.000 1.067 138 W CA -1.124 56.109 57.345 -0.187 0.000 1.218 138 W CB 0.978 30.432 29.460 -0.010 0.000 1.393 138 W HN 0.478 nan 8.180 nan 0.000 0.557 139 Y N 1.062 121.503 120.300 0.236 0.000 2.480 139 Y HA -0.081 4.469 4.550 -0.000 0.000 0.338 139 Y C 1.487 177.527 175.900 0.233 0.000 1.220 139 Y CA 0.331 58.530 58.100 0.164 0.000 1.430 139 Y CB 0.109 38.621 38.460 0.087 0.000 1.311 139 Y HN 0.363 nan 8.280 nan 0.000 0.575 140 D N 0.649 121.305 120.400 0.425 0.000 2.137 140 D HA 0.130 4.770 4.640 -0.000 0.000 0.202 140 D C 0.165 176.704 176.300 0.398 0.000 0.970 140 D CA 1.309 55.533 54.000 0.373 0.000 0.837 140 D CB 0.285 41.285 40.800 0.333 0.000 0.981 140 D HN 0.625 nan 8.370 nan 0.000 0.475 141 A N -1.649 121.379 122.820 0.348 0.000 2.530 141 A HA 0.561 4.881 4.320 -0.000 0.000 0.288 141 A C 0.830 178.538 177.584 0.207 0.000 1.172 141 A CA -0.235 51.983 52.037 0.301 0.000 0.733 141 A CB 1.214 20.331 19.000 0.196 0.000 1.320 141 A HN -0.074 nan 8.150 nan 0.000 0.419 142 S N -0.494 115.304 115.700 0.162 0.000 2.447 142 S HA 0.033 4.503 4.470 -0.000 0.000 0.233 142 S C 1.334 176.038 174.600 0.172 0.000 1.006 142 S CA 1.469 59.791 58.200 0.203 0.000 0.957 142 S CB 0.025 63.372 63.200 0.244 0.000 0.773 142 S HN 1.180 nan 8.310 nan 0.000 0.507 143 G N 0.201 108.993 108.800 -0.012 0.000 3.774 143 G HA2 0.306 4.266 3.960 -0.000 0.000 0.287 143 G HA3 0.306 4.266 3.960 -0.000 0.000 0.287 143 G C -0.749 174.032 174.900 -0.199 0.000 1.030 143 G CA -0.184 44.819 45.100 -0.163 0.000 0.824 143 G HN 0.226 nan 8.290 nan 0.000 0.518 144 D N 0.247 120.620 120.400 -0.046 0.000 2.616 144 D HA 0.205 4.845 4.640 -0.000 0.000 0.238 144 D C 1.010 177.336 176.300 0.042 0.000 1.354 144 D CA -0.528 53.515 54.000 0.071 0.000 0.970 144 D CB 1.854 42.828 40.800 0.291 0.000 1.369 144 D HN -0.009 nan 8.370 nan 0.000 0.585 145 V N 0.710 120.539 119.914 -0.142 0.000 3.623 145 V HA 0.242 4.362 4.120 -0.000 0.000 0.271 145 V C 0.927 177.070 176.094 0.081 0.000 1.248 145 V CA -0.065 62.075 62.300 -0.268 0.000 1.156 145 V CB -0.433 30.794 31.823 -0.993 0.000 0.870 145 V HN 0.336 nan 8.190 nan 0.000 0.453 146 S N 1.272 117.053 115.700 0.136 0.000 2.576 146 S HA 0.332 4.802 4.470 -0.000 0.000 0.272 146 S C 0.084 174.900 174.600 0.359 0.000 1.352 146 S CA 0.002 58.322 58.200 0.200 0.000 1.021 146 S CB 0.387 63.714 63.200 0.213 0.000 0.887 146 S HN 0.655 nan 8.310 nan 0.000 0.542 147 K N 1.467 121.999 120.400 0.221 0.000 2.376 147 K HA 0.447 4.767 4.320 -0.000 0.000 0.257 147 K C -1.634 175.139 176.600 0.289 0.000 0.939 147 K CA -0.339 56.131 56.287 0.306 0.000 0.809 147 K CB 1.589 34.173 32.500 0.141 0.000 1.121 147 K HN 0.563 nan 8.250 nan 0.000 0.425 148 Y N 1.900 122.357 120.300 0.263 0.000 2.425 148 Y HA 0.195 4.745 4.550 -0.000 0.000 0.344 148 Y C 0.696 176.752 175.900 0.259 0.000 0.969 148 Y CA -1.007 57.247 58.100 0.256 0.000 1.052 148 Y CB 1.669 40.276 38.460 0.244 0.000 1.215 148 Y HN 0.397 nan 8.280 nan 0.000 0.451 149 L N 1.104 122.543 121.223 0.359 0.000 2.202 149 L HA 0.155 4.495 4.340 -0.000 0.000 0.205 149 L C 0.707 177.728 176.870 0.251 0.000 1.083 149 L CA 1.148 56.138 54.840 0.249 0.000 0.790 149 L CB 0.081 42.232 42.059 0.152 0.000 0.942 149 L HN 0.597 nan 8.230 nan 0.000 0.452 150 S N -2.778 113.118 115.700 0.327 0.000 2.683 150 S HA 0.543 5.012 4.470 -0.000 0.000 0.269 150 S C -1.654 173.247 174.600 0.501 0.000 1.165 150 S CA -0.491 57.925 58.200 0.359 0.000 0.840 150 S CB 0.705 64.022 63.200 0.195 0.000 1.169 150 S HN 0.415 nan 8.310 nan 0.000 0.490 151 H N -0.052 119.119 119.070 0.169 0.000 3.001 151 H HA 0.484 5.040 4.556 -0.000 0.000 0.266 151 H C -0.179 175.073 175.328 -0.127 0.000 1.532 151 H CA -0.068 55.995 56.048 0.025 0.000 1.187 151 H CB -0.533 29.290 29.762 0.101 0.000 1.881 151 H HN 0.997 nan 8.280 nan 0.000 0.643 152 L N -0.014 120.973 121.223 -0.393 0.000 3.843 152 L HA -0.259 4.081 4.340 -0.000 0.000 0.411 152 L C 1.021 177.695 176.870 -0.326 0.000 1.205 152 L CA 0.740 55.325 54.840 -0.425 0.000 0.945 152 L CB -2.025 39.529 42.059 -0.842 0.000 1.929 152 L HN 0.578 nan 8.230 nan 0.000 0.934 153 S N -0.584 115.050 115.700 -0.109 0.000 2.382 153 S HA -0.176 4.294 4.470 -0.000 0.000 0.228 153 S C 1.618 176.160 174.600 -0.096 0.000 1.027 153 S CA 1.676 59.821 58.200 -0.091 0.000 0.991 153 S CB -0.271 62.919 63.200 -0.016 0.000 0.823 153 S HN 0.823 nan 8.310 nan 0.000 0.469 154 Y N 1.000 121.229 120.300 -0.119 0.000 2.403 154 Y HA 0.125 4.675 4.550 -0.000 0.000 0.291 154 Y C 2.026 177.870 175.900 -0.093 0.000 1.143 154 Y CA 0.569 58.614 58.100 -0.092 0.000 1.257 154 Y CB -0.541 37.891 38.460 -0.046 0.000 0.984 154 Y HN 0.176 nan 8.280 nan 0.000 0.550 155 A N 0.266 122.620 122.820 -0.778 0.000 2.178 155 A HA 0.003 4.323 4.320 -0.000 0.000 0.211 155 A C 1.455 178.803 177.584 -0.395 0.000 1.157 155 A CA 0.772 52.452 52.037 -0.595 0.000 0.780 155 A CB -0.336 18.252 19.000 -0.686 0.000 0.828 155 A HN 0.677 nan 8.150 nan 0.000 0.476 156 N N -2.466 115.985 118.700 -0.416 0.000 2.292 156 N HA -0.274 4.466 4.740 -0.000 0.000 0.219 156 N C 0.245 175.424 175.510 -0.551 0.000 1.011 156 N CA 2.586 55.315 53.050 -0.536 0.000 2.776 156 N CB -1.198 36.825 38.487 -0.773 0.000 0.819 156 N HN 0.645 nan 8.380 nan 0.000 0.457 157 Y N 0.151 120.359 120.300 -0.154 0.000 2.507 157 Y HA 0.435 4.985 4.550 -0.000 0.000 0.254 157 Y C 1.633 177.401 175.900 -0.220 0.000 1.171 157 Y CA -0.000 58.022 58.100 -0.129 0.000 1.238 157 Y CB 0.403 38.791 38.460 -0.119 0.000 1.148 157 Y HN 0.017 nan 8.280 nan 0.000 0.525 158 L N -0.869 120.227 121.223 -0.213 0.000 2.672 158 L HA 0.174 4.514 4.340 -0.000 0.000 0.236 158 L C 0.175 176.820 176.870 -0.375 0.000 1.092 158 L CA 0.070 54.659 54.840 -0.419 0.000 0.887 158 L CB -0.329 41.420 42.059 -0.517 0.000 1.168 158 L HN -0.012 nan 8.230 nan 0.000 0.502 159 N N 2.015 120.609 118.700 -0.177 0.000 2.090 159 N HA -0.069 4.671 4.740 -0.000 0.000 0.287 159 N C -2.457 173.197 175.510 0.240 0.000 1.383 159 N CA -0.323 52.706 53.050 -0.034 0.000 0.899 159 N CB 0.171 38.652 38.487 -0.010 0.000 1.251 159 N HN 0.072 nan 8.380 nan 0.000 0.492 160 P HA 0.120 nan 4.420 nan 0.000 0.288 160 P C -1.099 176.351 177.300 0.250 0.000 1.267 160 P CA -0.520 62.814 63.100 0.389 0.000 0.815 160 P CB 0.952 32.973 31.700 0.535 0.000 0.989 161 Q N 2.343 122.256 119.800 0.189 0.000 2.295 161 Q HA 0.200 4.540 4.340 -0.000 0.000 0.259 161 Q C 0.518 176.559 176.000 0.068 0.000 0.976 161 Q CA 0.177 56.050 55.803 0.117 0.000 0.923 161 Q CB 1.243 30.032 28.738 0.085 0.000 1.185 161 Q HN 0.523 nan 8.270 nan 0.000 0.410 162 Q N 0.807 120.651 119.800 0.073 0.000 2.729 162 Q HA 0.165 4.505 4.340 -0.000 0.000 0.228 162 Q C 1.402 177.419 176.000 0.029 0.000 1.021 162 Q CA 0.044 55.853 55.803 0.010 0.000 0.561 162 Q CB -0.129 28.681 28.738 0.121 0.000 3.921 162 Q HN 0.529 nan 8.270 nan 0.000 0.430 163 T N 2.961 117.613 114.554 0.163 0.000 2.685 163 T HA -0.128 4.221 4.350 -0.000 0.000 0.268 163 T C -1.257 173.557 174.700 0.190 0.000 1.034 163 T CA 1.948 64.205 62.100 0.260 0.000 1.149 163 T CB -1.364 67.752 68.868 0.414 0.000 0.860 163 T HN 0.224 nan 8.240 nan 0.000 0.449 164 P HA 0.074 nan 4.420 nan 0.000 0.221 164 P C 1.491 178.798 177.300 0.012 0.000 1.150 164 P CA 0.702 63.825 63.100 0.038 0.000 0.800 164 P CB -0.116 31.557 31.700 -0.045 0.000 0.787 165 M N -0.352 119.221 119.600 -0.045 0.000 2.117 165 M HA -0.113 4.366 4.480 -0.000 0.000 0.262 165 M C 1.817 177.973 176.300 -0.239 0.000 1.065 165 M CA 1.605 56.817 55.300 -0.146 0.000 1.114 165 M CB -1.201 31.280 32.600 -0.198 0.000 1.361 165 M HN -0.299 nan 8.290 nan 0.000 0.408 166 V N -0.992 118.764 119.914 -0.263 0.000 2.282 166 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 166 V C 2.273 178.166 176.094 -0.336 0.000 1.057 166 V CA 2.002 64.028 62.300 -0.456 0.000 1.032 166 V CB -1.183 30.206 31.823 -0.725 0.000 0.645 166 V HN 0.380 nan 8.190 nan 0.000 0.447 167 V N -1.501 118.356 119.914 -0.094 0.000 2.307 167 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 167 V C 2.013 178.069 176.094 -0.063 0.000 1.045 167 V CA 2.249 64.538 62.300 -0.019 0.000 1.024 167 V CB -0.868 30.995 31.823 0.066 0.000 0.651 167 V HN 0.717 nan 8.190 nan 0.000 0.449 168 W N 1.629 122.819 121.300 -0.184 0.000 2.333 168 W HA -0.209 4.451 4.660 -0.000 0.000 0.316 168 W C 2.437 178.827 176.519 -0.214 0.000 1.215 168 W CA 2.188 59.424 57.345 -0.180 0.000 1.278 168 W CB -0.358 29.000 29.460 -0.170 0.000 1.154 168 W HN 0.240 nan 8.180 nan 0.000 0.486 169 N N 0.260 118.925 118.700 -0.058 0.000 2.104 169 N HA -0.212 4.527 4.740 -0.000 0.000 0.190 169 N C 1.709 177.053 175.510 -0.277 0.000 1.024 169 N CA 2.275 55.201 53.050 -0.207 0.000 0.853 169 N CB -0.874 37.400 38.487 -0.355 0.000 1.008 169 N HN 0.247 nan 8.380 nan 0.000 0.424 170 I N 0.439 120.846 120.570 -0.273 0.000 2.252 170 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 170 I C 1.933 177.904 176.117 -0.243 0.000 1.102 170 I CA 0.798 61.958 61.300 -0.234 0.000 1.385 170 I CB -0.244 37.623 38.000 -0.222 0.000 1.064 170 I HN 0.068 nan 8.210 nan 0.000 0.414 171 L N 0.523 121.566 121.223 -0.299 0.000 2.046 171 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 171 L C 2.612 179.234 176.870 -0.413 0.000 1.077 171 L CA 1.197 55.840 54.840 -0.328 0.000 0.747 171 L CB -0.528 41.322 42.059 -0.349 0.000 0.896 171 L HN 0.164 nan 8.230 nan 0.000 0.432 172 K N 0.688 120.713 120.400 -0.625 0.000 2.026 172 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 172 K C 1.973 178.384 176.600 -0.316 0.000 1.048 172 K CA 1.654 57.561 56.287 -0.633 0.000 0.929 172 K CB -0.832 31.062 32.500 -1.009 0.000 0.713 172 K HN 0.196 nan 8.250 nan 0.000 0.439 173 G N 0.880 109.533 108.800 -0.246 0.000 2.440 173 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 173 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 173 G C 1.334 176.154 174.900 -0.133 0.000 1.154 173 G CA 0.799 45.811 45.100 -0.146 0.000 0.767 173 G HN 0.240 nan 8.290 nan 0.000 0.552 174 L N 1.994 123.126 121.223 -0.152 0.000 2.013 174 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 174 L C 3.280 180.082 176.870 -0.112 0.000 1.073 174 L CA 2.364 57.129 54.840 -0.124 0.000 0.753 174 L CB -1.100 40.880 42.059 -0.132 0.000 0.890 174 L HN 0.459 nan 8.230 nan 0.000 0.432 175 S N -1.675 113.944 115.700 -0.136 0.000 2.406 175 S HA -0.114 4.356 4.470 -0.000 0.000 0.228 175 S C 2.094 176.646 174.600 -0.079 0.000 1.020 175 S CA 0.744 58.879 58.200 -0.108 0.000 0.965 175 S CB -0.633 62.488 63.200 -0.132 0.000 0.798 175 S HN 0.416 nan 8.310 nan 0.000 0.488 176 L N 0.362 121.535 121.223 -0.083 0.000 2.093 176 L HA 0.114 4.454 4.340 -0.000 0.000 0.208 176 L C 1.854 178.695 176.870 -0.049 0.000 1.085 176 L CA 1.095 55.904 54.840 -0.052 0.000 0.755 176 L CB -0.380 41.653 42.059 -0.043 0.000 0.904 176 L HN 0.325 nan 8.230 nan 0.000 0.435 177 L N -1.072 120.112 121.223 -0.064 0.000 2.700 177 L HA 0.153 4.493 4.340 -0.000 0.000 0.234 177 L C 0.750 177.586 176.870 -0.057 0.000 1.156 177 L CA -0.239 54.561 54.840 -0.066 0.000 0.946 177 L CB -0.079 41.931 42.059 -0.082 0.000 1.216 177 L HN 0.130 nan 8.230 nan 0.000 0.493 178 E N 1.143 121.312 120.200 -0.052 0.000 2.351 178 E HA 0.192 4.542 4.350 -0.000 0.000 0.266 178 E C 1.122 177.703 176.600 -0.031 0.000 1.031 178 E CA 0.768 57.142 56.400 -0.043 0.000 0.911 178 E CB 0.502 30.176 29.700 -0.044 0.000 0.986 178 E HN 0.350 nan 8.360 nan 0.000 0.446 179 G N 3.247 112.031 108.800 -0.027 0.000 2.176 179 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.253 179 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.253 179 G C 0.193 175.080 174.900 -0.021 0.000 0.979 179 G CA 0.476 45.565 45.100 -0.019 0.000 0.641 179 G HN 0.752 nan 8.290 nan 0.000 0.530 180 S N -0.665 115.016 115.700 -0.031 0.000 2.654 180 S HA 0.682 5.151 4.470 -0.000 0.000 0.283 180 S C 0.592 175.166 174.600 -0.043 0.000 1.180 180 S CA -0.071 58.106 58.200 -0.038 0.000 1.021 180 S CB 1.874 65.042 63.200 -0.055 0.000 1.018 180 S HN 0.214 nan 8.310 nan 0.000 0.532 181 E N 0.325 120.499 120.200 -0.043 0.000 2.444 181 E HA 0.027 4.377 4.350 -0.000 0.000 0.191 181 E C 0.041 176.597 176.600 -0.072 0.000 1.041 181 E CA -0.056 56.321 56.400 -0.038 0.000 0.883 181 E CB -0.021 29.670 29.700 -0.015 0.000 1.024 181 E HN 0.607 nan 8.360 nan 0.000 0.470 182 D N 1.440 121.759 120.400 -0.134 0.000 2.104 182 D HA -0.099 4.541 4.640 -0.000 0.000 0.194 182 D C 1.415 177.620 176.300 -0.158 0.000 0.994 182 D CA 1.049 54.898 54.000 -0.252 0.000 0.830 182 D CB 0.011 40.595 40.800 -0.360 0.000 0.959 182 D HN 0.363 nan 8.370 nan 0.000 0.452 183 I N -2.471 118.039 120.570 -0.099 0.000 2.707 183 I HA 0.625 4.795 4.170 -0.000 0.000 0.309 183 I C -0.126 175.981 176.117 -0.017 0.000 1.001 183 I CA -1.343 59.928 61.300 -0.049 0.000 1.129 183 I CB 1.864 39.837 38.000 -0.045 0.000 1.308 183 I HN -0.180 nan 8.210 nan 0.000 0.466 184 A N 3.017 125.846 122.820 0.016 0.000 2.271 184 A HA 0.700 5.019 4.320 -0.000 0.000 0.288 184 A C 1.277 178.894 177.584 0.055 0.000 1.094 184 A CA -0.017 52.046 52.037 0.043 0.000 0.828 184 A CB 0.768 19.812 19.000 0.073 0.000 1.091 184 A HN 1.115 nan 8.150 nan 0.000 0.493 185 A N 0.081 122.944 122.820 0.071 0.000 1.908 185 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 185 A C 1.831 179.475 177.584 0.100 0.000 1.181 185 A CA 2.108 54.188 52.037 0.071 0.000 0.627 185 A CB -0.730 18.316 19.000 0.077 0.000 0.818 185 A HN 1.102 nan 8.150 nan 0.000 0.445 186 F N 1.374 121.323 119.950 -0.000 0.000 2.234 186 F HA -0.091 4.435 4.527 -0.000 0.000 0.299 186 F C 2.428 178.227 175.800 -0.003 0.000 1.087 186 F CA 1.972 59.974 58.000 0.004 0.000 1.340 186 F CB -0.372 38.635 39.000 0.012 0.000 1.031 186 F HN 0.226 nan 8.300 nan 0.000 0.500 187 T N 0.142 114.730 114.554 0.057 0.000 2.777 187 T HA -0.193 4.157 4.350 -0.000 0.000 0.266 187 T C 2.056 176.699 174.700 -0.096 0.000 1.040 187 T CA 1.451 63.533 62.100 -0.031 0.000 1.141 187 T CB -0.345 68.534 68.868 0.018 0.000 0.868 187 T HN 0.248 nan 8.240 nan 0.000 0.444 188 R N 0.929 121.388 120.500 -0.068 0.000 2.080 188 R HA -0.153 4.187 4.340 -0.000 0.000 0.236 188 R C 2.418 178.648 176.300 -0.115 0.000 1.137 188 R CA 2.047 58.100 56.100 -0.078 0.000 0.943 188 R CB -0.805 29.466 30.300 -0.049 0.000 0.846 188 R HN 0.305 nan 8.270 nan 0.000 0.431 189 T N 0.624 115.085 114.554 -0.155 0.000 2.624 189 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 189 T C 1.861 176.413 174.700 -0.248 0.000 1.041 189 T CA 1.930 63.906 62.100 -0.207 0.000 1.159 189 T CB -0.276 68.419 68.868 -0.287 0.000 0.863 189 T HN 0.391 nan 8.240 nan 0.000 0.434 190 R N 0.266 120.556 120.500 -0.350 0.000 2.096 190 R HA 0.066 4.406 4.340 -0.000 0.000 0.235 190 R C 2.512 178.731 176.300 -0.135 0.000 1.127 190 R CA 0.983 56.917 56.100 -0.276 0.000 0.968 190 R CB -0.477 29.634 30.300 -0.315 0.000 0.861 190 R HN 0.355 nan 8.270 nan 0.000 0.440 191 L N 0.236 121.389 121.223 -0.117 0.000 2.027 191 L HA -0.150 4.190 4.340 -0.000 0.000 0.206 191 L C 2.301 179.133 176.870 -0.064 0.000 1.074 191 L CA 1.190 55.983 54.840 -0.078 0.000 0.745 191 L CB -0.322 41.687 42.059 -0.082 0.000 0.898 191 L HN 0.149 nan 8.230 nan 0.000 0.433 192 I N -0.169 120.358 120.570 -0.072 0.000 2.151 192 I HA -0.362 3.808 4.170 -0.000 0.000 0.243 192 I C 2.667 178.775 176.117 -0.016 0.000 1.080 192 I CA 1.703 62.972 61.300 -0.051 0.000 1.339 192 I CB -0.377 37.590 38.000 -0.054 0.000 1.039 192 I HN 0.391 nan 8.210 nan 0.000 0.409 193 E N 0.932 121.118 120.200 -0.023 0.000 2.097 193 E HA -0.321 4.029 4.350 -0.000 0.000 0.196 193 E C 2.015 178.674 176.600 0.097 0.000 1.000 193 E CA 1.788 58.199 56.400 0.019 0.000 0.804 193 E CB 0.029 29.715 29.700 -0.024 0.000 0.740 193 E HN 0.350 nan 8.360 nan 0.000 0.454 194 E N -0.011 120.244 120.200 0.092 0.000 2.152 194 E HA -0.047 4.302 4.350 -0.000 0.000 0.192 194 E C 1.640 178.422 176.600 0.302 0.000 0.983 194 E CA 1.158 57.687 56.400 0.215 0.000 0.818 194 E CB -0.181 29.598 29.700 0.133 0.000 0.758 194 E HN 0.374 nan 8.360 nan 0.000 0.467 195 A N 0.318 123.212 122.820 0.124 0.000 1.855 195 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 195 A C 2.210 179.836 177.584 0.070 0.000 1.191 195 A CA 1.253 53.335 52.037 0.075 0.000 0.613 195 A CB -0.754 18.222 19.000 -0.040 0.000 0.829 195 A HN 0.300 nan 8.150 nan 0.000 0.442 196 L N -1.840 119.416 121.223 0.056 0.000 2.131 196 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 196 L C 2.462 179.390 176.870 0.096 0.000 1.092 196 L CA 1.446 56.318 54.840 0.054 0.000 0.759 196 L CB -0.563 41.556 42.059 0.101 0.000 0.903 196 L HN 0.517 nan 8.230 nan 0.000 0.435 197 F N 1.069 121.015 119.950 -0.007 0.000 2.095 197 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 197 F C 2.222 177.886 175.800 -0.227 0.000 1.104 197 F CA 1.759 59.701 58.000 -0.097 0.000 1.232 197 F CB -0.565 38.362 39.000 -0.121 0.000 0.987 197 F HN -0.024 nan 8.300 nan 0.000 0.475 198 G N -0.591 108.056 108.800 -0.255 0.000 2.421 198 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 198 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 198 G C 1.803 176.639 174.900 -0.105 0.000 1.143 198 G CA 0.636 45.517 45.100 -0.364 0.000 0.784 198 G HN 0.630 nan 8.290 nan 0.000 0.541 199 A N 1.514 124.286 122.820 -0.081 0.000 1.883 199 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 199 A C 2.076 179.692 177.584 0.053 0.000 1.186 199 A CA 2.131 54.088 52.037 -0.132 0.000 0.624 199 A CB -0.480 18.256 19.000 -0.440 0.000 0.822 199 A HN 0.279 nan 8.150 nan 0.000 0.444 200 D N -1.191 119.295 120.400 0.143 0.000 2.178 200 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 200 D C 1.556 177.903 176.300 0.079 0.000 0.980 200 D CA 1.264 55.439 54.000 0.292 0.000 0.842 200 D CB -0.420 40.501 40.800 0.202 0.000 0.948 200 D HN 0.523 nan 8.370 nan 0.000 0.472 201 F N 1.206 120.997 119.950 -0.265 0.000 2.259 201 F HA -0.012 4.514 4.527 -0.000 0.000 0.298 201 F C 1.955 177.674 175.800 -0.135 0.000 1.088 201 F CA 0.730 58.549 58.000 -0.302 0.000 1.358 201 F CB -0.161 38.545 39.000 -0.489 0.000 1.040 201 F HN -0.136 nan 8.300 nan 0.000 0.505 202 L N -0.850 120.244 121.223 -0.215 0.000 2.072 202 L HA -0.169 4.171 4.340 -0.000 0.000 0.205 202 L C 2.426 179.250 176.870 -0.076 0.000 1.079 202 L CA 0.824 55.539 54.840 -0.209 0.000 0.752 202 L CB -0.956 41.038 42.059 -0.108 0.000 0.906 202 L HN -0.031 nan 8.230 nan 0.000 0.436 203 V N 0.262 120.124 119.914 -0.086 0.000 2.250 203 V HA -0.358 3.761 4.120 -0.000 0.000 0.250 203 V C 2.614 178.531 176.094 -0.295 0.000 1.060 203 V CA 2.030 64.197 62.300 -0.222 0.000 1.030 203 V CB -0.675 30.820 31.823 -0.545 0.000 0.643 203 V HN 0.436 nan 8.190 nan 0.000 0.445 204 R N -0.944 119.385 120.500 -0.285 0.000 2.152 204 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 204 R C 1.995 178.172 176.300 -0.206 0.000 1.117 204 R CA 1.058 57.029 56.100 -0.217 0.000 0.981 204 R CB -0.226 29.981 30.300 -0.155 0.000 0.870 204 R HN 0.388 nan 8.270 nan 0.000 0.451 205 M N 0.408 119.832 119.600 -0.293 0.000 2.618 205 M HA 0.011 4.491 4.480 -0.000 0.000 0.240 205 M C 0.433 176.691 176.300 -0.070 0.000 1.123 205 M CA 0.614 55.842 55.300 -0.121 0.000 1.060 205 M CB -0.021 32.386 32.600 -0.323 0.000 1.535 205 M HN 0.094 nan 8.290 nan 0.000 0.507 206 Q N 1.760 121.396 119.800 -0.273 0.000 2.296 206 Q HA 0.128 4.468 4.340 -0.000 0.000 0.257 206 Q C -0.006 175.560 176.000 -0.723 0.000 0.942 206 Q CA -0.194 55.173 55.803 -0.727 0.000 0.939 206 Q CB 1.018 29.227 28.738 -0.882 0.000 1.198 206 Q HN 0.212 nan 8.270 nan 0.000 0.429 207 N N 2.059 120.064 118.700 -1.158 0.000 2.381 207 N HA -0.111 4.629 4.740 -0.000 0.000 0.241 207 N C 0.729 175.809 175.510 -0.716 0.000 1.279 207 N CA 0.536 52.958 53.050 -1.047 0.000 0.896 207 N CB 0.808 38.174 38.487 -1.868 0.000 1.118 207 N HN 0.801 nan 8.380 nan 0.000 0.438 208 E N 1.680 121.611 120.200 -0.449 0.000 2.268 208 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 208 E C 0.907 177.335 176.600 -0.287 0.000 0.995 208 E CA 0.974 57.193 56.400 -0.302 0.000 0.836 208 E CB -0.023 29.573 29.700 -0.174 0.000 0.763 208 E HN 0.532 nan 8.360 nan 0.000 0.491 209 K N 0.125 120.322 120.400 -0.339 0.000 2.147 209 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 209 K C 1.456 177.858 176.600 -0.330 0.000 1.049 209 K CA 1.142 57.303 56.287 -0.211 0.000 0.936 209 K CB 0.049 32.533 32.500 -0.026 0.000 0.722 209 K HN 0.447 nan 8.250 nan 0.000 0.446 210 G N 0.959 109.373 108.800 -0.643 0.000 2.545 210 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.195 210 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.195 210 G C 0.183 174.537 174.900 -0.910 0.000 1.009 210 G CA -0.165 44.535 45.100 -0.666 0.000 0.703 210 G HN 0.265 nan 8.290 nan 0.000 0.479 211 F N 1.329 120.633 119.950 -1.077 0.000 2.410 211 F HA 0.789 5.316 4.527 -0.000 0.000 0.334 211 F C 0.036 175.393 175.800 -0.739 0.000 1.134 211 F CA -1.870 55.689 58.000 -0.734 0.000 1.227 211 F CB 0.290 38.964 39.000 -0.545 0.000 1.194 211 F HN -0.055 nan 8.300 nan 0.000 0.571 212 F N 1.369 121.212 119.950 -0.177 0.000 2.379 212 F HA 0.379 4.906 4.527 -0.000 0.000 0.332 212 F C -0.255 175.517 175.800 -0.045 0.000 1.096 212 F CA -0.660 57.200 58.000 -0.233 0.000 1.105 212 F CB 0.436 39.358 39.000 -0.130 0.000 1.189 212 F HN 0.345 nan 8.300 nan 0.000 0.515 213 Y N 2.243 122.660 120.300 0.196 0.000 2.411 213 Y HA 0.063 4.612 4.550 -0.000 0.000 0.333 213 Y C 1.320 177.316 175.900 0.160 0.000 1.186 213 Y CA -0.243 57.980 58.100 0.205 0.000 1.381 213 Y CB 0.552 39.040 38.460 0.047 0.000 1.273 213 Y HN 0.690 nan 8.280 nan 0.000 0.546 214 M N 0.365 120.164 119.600 0.331 0.000 2.216 214 M HA 0.025 4.505 4.480 -0.000 0.000 0.264 214 M C -0.309 176.094 176.300 0.172 0.000 1.080 214 M CA 1.396 56.825 55.300 0.215 0.000 1.153 214 M CB 0.421 33.122 32.600 0.169 0.000 1.356 214 M HN 0.729 nan 8.290 nan 0.000 0.432 215 T N -0.037 114.587 114.554 0.117 0.000 2.912 215 T HA 0.458 4.808 4.350 -0.000 0.000 0.299 215 T C -0.999 173.691 174.700 -0.018 0.000 1.052 215 T CA -0.707 61.372 62.100 -0.035 0.000 0.996 215 T CB 2.564 71.319 68.868 -0.189 0.000 1.070 215 T HN -0.128 nan 8.240 nan 0.000 0.465 216 V N 3.484 123.379 119.914 -0.032 0.000 2.294 216 V HA 0.537 4.657 4.120 -0.000 0.000 0.272 216 V C -0.965 175.110 176.094 -0.032 0.000 1.027 216 V CA -0.652 61.640 62.300 -0.014 0.000 0.823 216 V CB 0.114 31.972 31.823 0.058 0.000 1.030 216 V HN 0.790 nan 8.190 nan 0.000 0.457 217 F N 5.015 124.808 119.950 -0.261 0.000 2.508 217 F HA 0.632 5.159 4.527 -0.000 0.000 0.325 217 F C 0.544 176.139 175.800 -0.341 0.000 1.090 217 F CA -1.489 56.276 58.000 -0.392 0.000 0.945 217 F CB 2.245 40.968 39.000 -0.460 0.000 1.156 217 F HN 0.604 nan 8.300 nan 0.000 0.463 218 D N 3.013 122.796 120.400 -1.028 0.000 2.513 218 D HA 0.055 4.695 4.640 -0.000 0.000 0.222 218 D C 0.316 175.974 176.300 -1.070 0.000 1.210 218 D CA -0.039 53.485 54.000 -0.792 0.000 0.825 218 D CB -0.088 40.480 40.800 -0.387 0.000 1.037 218 D HN 0.675 nan 8.370 nan 0.000 0.506 219 K N 0.532 119.622 120.400 -2.183 0.000 3.069 219 K HA -0.168 4.151 4.320 -0.000 0.000 0.267 219 K C -0.600 175.570 176.600 -0.716 0.000 1.082 219 K CA 0.623 55.933 56.287 -1.628 0.000 0.782 219 K CB -1.272 30.774 32.500 -0.758 0.000 1.230 219 K HN 0.390 nan 8.250 nan 0.000 0.488 220 W N -1.416 119.547 121.300 -0.562 0.000 4.849 220 W HA -0.274 4.386 4.660 -0.000 0.000 0.358 220 W C 1.049 177.417 176.519 -0.252 0.000 1.331 220 W CA 1.057 58.220 57.345 -0.303 0.000 0.844 220 W CB -2.791 26.537 29.460 -0.220 0.000 2.434 220 W HN 0.485 nan 8.180 nan 0.000 1.458 221 S N -1.330 114.299 115.700 -0.119 0.000 2.503 221 S HA 0.145 4.615 4.470 -0.000 0.000 0.215 221 S C 1.287 175.892 174.600 0.008 0.000 1.003 221 S CA 0.848 59.015 58.200 -0.056 0.000 0.910 221 S CB 0.231 63.370 63.200 -0.101 0.000 0.790 221 S HN 0.146 nan 8.310 nan 0.000 0.514 222 K N 0.521 120.921 120.400 0.000 0.000 3.495 222 K HA -0.172 4.148 4.320 -0.000 0.000 0.315 222 K C -0.542 176.209 176.600 0.251 0.000 1.301 222 K CA 1.266 57.635 56.287 0.138 0.000 0.985 222 K CB -2.025 30.593 32.500 0.197 0.000 1.244 222 K HN 0.600 nan 8.250 nan 0.000 0.433 223 D N 0.084 120.541 120.400 0.096 0.000 2.316 223 D HA 0.127 4.767 4.640 -0.000 0.000 0.245 223 D C 1.151 177.478 176.300 0.045 0.000 1.171 223 D CA 0.457 54.488 54.000 0.051 0.000 0.856 223 D CB 1.089 41.884 40.800 -0.008 0.000 1.090 223 D HN 0.211 nan 8.370 nan 0.000 0.476 224 T N 1.383 115.965 114.554 0.046 0.000 2.881 224 T HA -0.120 4.229 4.350 -0.000 0.000 0.270 224 T C 1.872 176.566 174.700 -0.010 0.000 1.068 224 T CA 0.839 62.961 62.100 0.036 0.000 1.131 224 T CB -0.225 68.623 68.868 -0.033 0.000 0.871 224 T HN 0.339 nan 8.240 nan 0.000 0.479 225 A N 1.772 124.574 122.820 -0.030 0.000 1.978 225 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 225 A C 2.309 179.854 177.584 -0.064 0.000 1.170 225 A CA 1.331 53.342 52.037 -0.044 0.000 0.636 225 A CB -0.623 18.351 19.000 -0.043 0.000 0.810 225 A HN 0.678 nan 8.150 nan 0.000 0.448 226 Q N -0.594 119.156 119.800 -0.083 0.000 2.360 226 Q HA 0.079 4.419 4.340 -0.000 0.000 0.202 226 Q C -0.149 175.749 176.000 -0.170 0.000 0.915 226 Q CA -0.203 55.517 55.803 -0.138 0.000 0.943 226 Q CB 0.228 28.856 28.738 -0.183 0.000 1.064 226 Q HN 0.543 nan 8.270 nan 0.000 0.511 227 R N 1.751 122.184 120.500 -0.111 0.000 2.343 227 R HA 0.139 4.479 4.340 -0.000 0.000 0.326 227 R C -0.518 175.725 176.300 -0.097 0.000 1.055 227 R CA 0.505 56.545 56.100 -0.100 0.000 0.961 227 R CB 0.293 30.582 30.300 -0.019 0.000 0.978 227 R HN 0.113 nan 8.270 nan 0.000 0.443 228 E N 2.543 122.677 120.200 -0.110 0.000 2.292 228 E HA 0.261 4.611 4.350 -0.000 0.000 0.272 228 E C -0.567 175.973 176.600 -0.100 0.000 0.881 228 E CA -0.646 55.692 56.400 -0.103 0.000 0.754 228 E CB 2.246 31.893 29.700 -0.088 0.000 1.201 228 E HN 0.404 nan 8.360 nan 0.000 0.425 229 I N 4.010 124.470 120.570 -0.183 0.000 2.494 229 I HA 0.084 4.253 4.170 -0.000 0.000 0.289 229 I C 0.352 176.374 176.117 -0.158 0.000 1.106 229 I CA 0.135 61.289 61.300 -0.243 0.000 1.369 229 I CB -0.691 36.976 38.000 -0.556 0.000 1.410 229 I HN 0.612 nan 8.210 nan 0.000 0.523 230 C N 3.921 123.235 119.300 0.024 0.000 3.276 230 C HA 0.951 5.411 4.460 -0.000 0.000 0.370 230 C C -0.423 174.699 174.990 0.219 0.000 1.624 230 C CA -0.765 58.365 59.018 0.187 0.000 1.179 230 C CB 1.168 29.002 27.740 0.156 0.000 1.909 230 C HN 0.785 nan 8.230 nan 0.000 0.434 231 A N -0.240 122.719 122.820 0.233 0.000 2.384 231 A HA 1.014 5.334 4.320 -0.000 0.000 0.312 231 A C -1.146 176.562 177.584 0.207 0.000 1.113 231 A CA -0.466 51.672 52.037 0.167 0.000 0.779 231 A CB 1.206 20.293 19.000 0.146 0.000 1.307 231 A HN 2.129 nan 8.150 nan 0.000 0.436 232 Y N -1.446 118.831 120.300 -0.037 0.000 2.615 232 Y HA 0.837 5.387 4.550 -0.000 0.000 0.341 232 Y C -0.732 175.172 175.900 0.006 0.000 1.089 232 Y CA -0.913 57.151 58.100 -0.059 0.000 1.049 232 Y CB 1.237 39.476 38.460 -0.367 0.000 1.296 232 Y HN 0.644 nan 8.280 nan 0.000 0.470 233 E N 1.006 121.269 120.200 0.104 0.000 2.367 233 E HA 0.503 4.853 4.350 -0.000 0.000 0.273 233 E C -1.080 175.419 176.600 -0.167 0.000 0.903 233 E CA -0.560 55.644 56.400 -0.327 0.000 0.764 233 E CB 2.464 31.989 29.700 -0.291 0.000 1.252 233 E HN 1.069 nan 8.360 nan 0.000 0.446 234 T N -1.826 112.513 114.554 -0.358 0.000 0.541 234 T HA -0.336 4.014 4.350 -0.000 0.000 0.774 234 T C 0.850 175.413 174.700 -0.227 0.000 0.992 234 T CA 1.152 63.206 62.100 -0.076 0.000 4.077 234 T CB -0.357 68.496 68.868 -0.025 0.000 2.303 234 T HN 0.776 nan 8.240 nan 0.000 0.398 235 Q N -0.337 119.112 119.800 -0.585 0.000 2.311 235 Q HA 0.142 4.482 4.340 -0.000 0.000 0.203 235 Q C 2.175 178.035 176.000 -0.235 0.000 0.954 235 Q CA 1.265 56.605 55.803 -0.771 0.000 0.885 235 Q CB -0.243 28.026 28.738 -0.782 0.000 0.963 235 Q HN 0.682 nan 8.270 nan 0.000 0.471 236 L N -0.664 120.443 121.223 -0.194 0.000 2.376 236 L HA 0.101 4.441 4.340 -0.000 0.000 0.219 236 L C 1.230 178.036 176.870 -0.105 0.000 1.133 236 L CA 0.991 55.717 54.840 -0.189 0.000 0.816 236 L CB -0.027 41.812 42.059 -0.366 0.000 0.933 236 L HN 0.351 nan 8.230 nan 0.000 0.449 237 G N -0.584 108.224 108.800 0.014 0.000 2.212 237 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.255 237 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.255 237 G C -0.123 174.790 174.900 0.020 0.000 1.062 237 G CA -0.253 44.934 45.100 0.144 0.000 0.815 237 G HN 0.531 nan 8.290 nan 0.000 0.497 238 H N 0.560 119.679 119.070 0.083 0.000 3.046 238 H HA 0.326 4.882 4.556 -0.000 0.000 0.303 238 H C 0.856 176.014 175.328 -0.283 0.000 1.002 238 H CA 0.371 56.337 56.048 -0.137 0.000 1.460 238 H CB 0.600 30.272 29.762 -0.150 0.000 1.493 238 H HN 0.314 nan 8.280 nan 0.000 0.559 239 K N 3.864 124.121 120.400 -0.238 0.000 2.234 239 K HA 0.266 4.586 4.320 -0.000 0.000 0.282 239 K C -0.892 175.410 176.600 -0.496 0.000 1.039 239 K CA -0.153 56.026 56.287 -0.178 0.000 0.928 239 K CB 0.805 33.282 32.500 -0.038 0.000 1.039 239 K HN 0.307 nan 8.250 nan 0.000 0.470 240 F N 0.653 120.675 119.950 0.121 0.000 2.631 240 F HA 0.138 4.665 4.527 -0.000 0.000 0.328 240 F C 0.836 176.702 175.800 0.111 0.000 1.067 240 F CA -1.080 56.970 58.000 0.084 0.000 0.969 240 F CB 1.224 40.251 39.000 0.044 0.000 1.332 240 F HN 0.549 nan 8.300 nan 0.000 0.490 241 D N -0.703 119.875 120.400 0.297 0.000 2.460 241 D HA 0.000 4.640 4.640 -0.000 0.000 0.229 241 D C -0.378 175.842 176.300 -0.135 0.000 1.170 241 D CA 0.026 54.155 54.000 0.216 0.000 0.827 241 D CB -0.578 40.345 40.800 0.205 0.000 0.973 241 D HN 0.544 nan 8.370 nan 0.000 0.496 242 D N 0.886 121.245 120.400 -0.068 0.000 2.943 242 D HA -0.041 4.599 4.640 -0.000 0.000 0.249 242 D C 0.325 176.503 176.300 -0.203 0.000 1.231 242 D CA -0.732 53.129 54.000 -0.232 0.000 0.979 242 D CB -0.617 40.121 40.800 -0.104 0.000 1.053 242 D HN 0.340 nan 8.370 nan 0.000 0.504 243 Y N -1.114 119.157 120.300 -0.047 0.000 2.490 243 Y HA 0.252 4.802 4.550 -0.000 0.000 0.281 243 Y C 0.280 176.143 175.900 -0.061 0.000 1.174 243 Y CA -0.842 57.268 58.100 0.018 0.000 1.295 243 Y CB -0.497 38.051 38.460 0.146 0.000 1.062 243 Y HN -0.125 nan 8.280 nan 0.000 0.522 244 Q N 2.034 121.575 119.800 -0.432 0.000 2.296 244 Q HA 0.498 4.838 4.340 -0.000 0.000 0.262 244 Q C -0.265 175.476 176.000 -0.431 0.000 0.981 244 Q CA 0.136 55.482 55.803 -0.762 0.000 0.905 244 Q CB 1.213 28.703 28.738 -2.080 0.000 1.186 244 Q HN 0.430 nan 8.270 nan 0.000 0.399 245 A N 2.589 125.334 122.820 -0.125 0.000 2.347 245 A HA 0.612 4.932 4.320 -0.000 0.000 0.287 245 A C 0.634 178.244 177.584 0.043 0.000 1.199 245 A CA -0.061 51.983 52.037 0.011 0.000 0.851 245 A CB 0.014 19.079 19.000 0.109 0.000 1.118 245 A HN 0.733 nan 8.150 nan 0.000 0.525 246 G N 0.700 109.547 108.800 0.078 0.000 2.634 246 G HA2 0.359 4.319 3.960 -0.000 0.000 0.255 246 G HA3 0.359 4.319 3.960 -0.000 0.000 0.255 246 G C 0.576 175.492 174.900 0.027 0.000 1.205 246 G CA -0.466 44.697 45.100 0.105 0.000 0.884 246 G HN 0.644 nan 8.290 nan 0.000 0.549 247 F N -0.015 119.926 119.950 -0.016 0.000 2.087 247 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 247 F C 2.945 178.643 175.800 -0.170 0.000 1.100 247 F CA 2.140 60.059 58.000 -0.134 0.000 1.226 247 F CB 0.160 39.000 39.000 -0.268 0.000 0.983 247 F HN 0.522 nan 8.300 nan 0.000 0.479 248 R N 0.587 121.110 120.500 0.039 0.000 2.275 248 R HA -0.039 4.301 4.340 -0.000 0.000 0.199 248 R C 0.800 177.090 176.300 -0.017 0.000 0.989 248 R CA 0.826 56.887 56.100 -0.066 0.000 1.016 248 R CB -0.466 29.768 30.300 -0.111 0.000 0.918 248 R HN 0.308 nan 8.270 nan 0.000 0.473 249 Q N 0.431 120.241 119.800 0.016 0.000 2.286 249 Q HA 0.262 4.602 4.340 -0.000 0.000 0.281 249 Q C 0.190 176.223 176.000 0.056 0.000 0.897 249 Q CA 0.218 56.041 55.803 0.035 0.000 1.023 249 Q CB 1.367 30.124 28.738 0.033 0.000 1.151 249 Q HN 0.639 nan 8.270 nan 0.000 0.445 250 G N -0.384 108.439 108.800 0.038 0.000 2.279 250 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.223 250 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.223 250 G C 0.920 175.789 174.900 -0.052 0.000 1.015 250 G CA -0.097 45.016 45.100 0.021 0.000 0.621 250 G HN 0.532 nan 8.290 nan 0.000 0.506 251 G N 0.872 109.658 108.800 -0.022 0.000 2.491 251 G HA2 0.111 4.071 3.960 -0.000 0.000 0.218 251 G HA3 0.111 4.071 3.960 -0.000 0.000 0.218 251 G C 1.893 176.756 174.900 -0.062 0.000 1.180 251 G CA 2.370 47.445 45.100 -0.041 0.000 0.774 251 G HN 1.585 nan 8.290 nan 0.000 0.562 252 G N 0.138 108.977 108.800 0.066 0.000 2.421 252 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 252 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 252 G C 1.789 176.682 174.900 -0.012 0.000 1.171 252 G CA 1.409 46.614 45.100 0.176 0.000 0.775 252 G HN 0.373 nan 8.290 nan 0.000 0.543 253 V N 1.532 121.395 119.914 -0.086 0.000 2.548 253 V HA -0.040 4.080 4.120 -0.000 0.000 0.249 253 V C 3.277 179.292 176.094 -0.131 0.000 1.055 253 V CA 1.623 63.844 62.300 -0.132 0.000 1.065 253 V CB -0.853 30.889 31.823 -0.135 0.000 0.681 253 V HN 0.469 nan 8.190 nan 0.000 0.462 254 A N 0.659 123.332 122.820 -0.244 0.000 1.892 254 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 254 A C 2.189 179.549 177.584 -0.374 0.000 1.188 254 A CA 2.284 54.041 52.037 -0.466 0.000 0.631 254 A CB -0.598 17.782 19.000 -1.033 0.000 0.822 254 A HN 0.517 nan 8.150 nan 0.000 0.447 255 I N -0.292 120.137 120.570 -0.235 0.000 2.179 255 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 255 I C 2.978 179.100 176.117 0.008 0.000 1.088 255 I CA 1.174 62.474 61.300 -0.001 0.000 1.357 255 I CB -0.400 37.692 38.000 0.154 0.000 1.051 255 I HN 0.347 nan 8.210 nan 0.000 0.409 256 A N 0.719 123.546 122.820 0.011 0.000 1.902 256 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 256 A C 2.550 180.246 177.584 0.186 0.000 1.181 256 A CA 1.961 54.054 52.037 0.094 0.000 0.623 256 A CB -0.969 18.063 19.000 0.053 0.000 0.818 256 A HN 0.432 nan 8.150 nan 0.000 0.443 257 A N -0.276 122.631 122.820 0.145 0.000 1.858 257 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 257 A C 2.206 179.768 177.584 -0.037 0.000 1.190 257 A CA 1.583 53.674 52.037 0.091 0.000 0.617 257 A CB -0.689 18.333 19.000 0.037 0.000 0.827 257 A HN 0.470 nan 8.150 nan 0.000 0.443 258 L N -0.826 120.366 121.223 -0.051 0.000 2.046 258 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 258 L C 3.130 179.988 176.870 -0.019 0.000 1.077 258 L CA 1.083 55.889 54.840 -0.057 0.000 0.747 258 L CB -0.538 41.552 42.059 0.050 0.000 0.896 258 L HN 0.462 nan 8.230 nan 0.000 0.432 259 A N -0.059 122.765 122.820 0.006 0.000 1.883 259 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 259 A C 2.509 180.083 177.584 -0.016 0.000 1.186 259 A CA 1.877 53.913 52.037 -0.003 0.000 0.624 259 A CB -0.757 18.224 19.000 -0.031 0.000 0.822 259 A HN 0.420 nan 8.150 nan 0.000 0.444 260 A N -0.243 122.561 122.820 -0.027 0.000 1.898 260 A HA 0.188 4.508 4.320 -0.000 0.000 0.216 260 A C 2.502 180.024 177.584 -0.104 0.000 1.181 260 A CA 2.006 53.997 52.037 -0.076 0.000 0.620 260 A CB -1.022 17.892 19.000 -0.144 0.000 0.819 260 A HN 1.102 nan 8.150 nan 0.000 0.442 261 A N 0.413 123.145 122.820 -0.148 0.000 1.940 261 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 261 A C 2.464 179.999 177.584 -0.081 0.000 1.176 261 A CA 2.342 54.242 52.037 -0.229 0.000 0.631 261 A CB -0.986 17.686 19.000 -0.547 0.000 0.814 261 A HN 1.096 nan 8.150 nan 0.000 0.446 262 S N -0.588 115.125 115.700 0.023 0.000 2.474 262 S HA -0.096 4.374 4.470 -0.000 0.000 0.235 262 S C 1.771 176.422 174.600 0.086 0.000 0.997 262 S CA 0.989 59.281 58.200 0.154 0.000 0.949 262 S CB -0.395 62.892 63.200 0.145 0.000 0.766 262 S HN 0.618 nan 8.310 nan 0.000 0.517 263 R N 0.102 120.619 120.500 0.028 0.000 2.275 263 R HA 0.320 4.660 4.340 -0.000 0.000 0.199 263 R C 0.178 176.488 176.300 0.017 0.000 0.989 263 R CA -0.012 56.095 56.100 0.011 0.000 1.016 263 R CB -0.255 30.034 30.300 -0.018 0.000 0.918 263 R HN 0.423 nan 8.270 nan 0.000 0.473 264 L N -0.159 121.080 121.223 0.027 0.000 2.461 264 L HA 0.046 4.386 4.340 -0.000 0.000 0.272 264 L C 1.809 178.716 176.870 0.061 0.000 1.197 264 L CA -0.064 54.794 54.840 0.030 0.000 0.836 264 L CB 0.736 42.812 42.059 0.028 0.000 1.105 264 L HN 0.176 nan 8.230 nan 0.000 0.477 265 G N 2.400 111.225 108.800 0.041 0.000 2.470 265 G HA2 0.023 3.983 3.960 -0.000 0.000 0.220 265 G HA3 0.023 3.983 3.960 -0.000 0.000 0.220 265 G C 0.410 175.351 174.900 0.069 0.000 1.121 265 G CA 0.903 46.032 45.100 0.048 0.000 0.766 265 G HN 0.461 nan 8.290 nan 0.000 0.553 266 V N -2.987 116.969 119.914 0.069 0.000 3.155 266 V HA 0.903 5.023 4.120 -0.000 0.000 0.313 266 V C -0.645 175.534 176.094 0.141 0.000 1.162 266 V CA -1.140 61.189 62.300 0.048 0.000 1.048 266 V CB 1.723 33.527 31.823 -0.032 0.000 1.092 266 V HN 0.542 nan 8.190 nan 0.000 0.447 267 H N -1.047 118.088 119.070 0.109 0.000 2.990 267 H HA 0.897 5.453 4.556 -0.000 0.000 0.343 267 H C 0.156 175.585 175.328 0.168 0.000 1.270 267 H CA -0.140 56.030 56.048 0.204 0.000 1.118 267 H CB 1.271 31.139 29.762 0.175 0.000 1.861 267 H HN 0.944 nan 8.280 nan 0.000 0.544 268 G N -0.538 108.510 108.800 0.414 0.000 2.928 268 G HA2 0.025 3.985 3.960 -0.000 0.000 0.163 268 G HA3 0.025 3.985 3.960 -0.000 0.000 0.163 268 G C 0.643 175.655 174.900 0.186 0.000 1.573 268 G CA 0.055 45.308 45.100 0.255 0.000 1.084 268 G HN 0.791 nan 8.290 nan 0.000 0.569 269 E N -1.310 118.918 120.200 0.046 0.000 2.106 269 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 269 E C -0.147 176.249 176.600 -0.340 0.000 0.984 269 E CA 0.575 56.854 56.400 -0.201 0.000 0.806 269 E CB -0.030 29.419 29.700 -0.419 0.000 0.750 269 E HN 0.388 nan 8.360 nan 0.000 0.458 270 Y N 1.080 121.363 120.300 -0.028 0.000 2.419 270 Y HA 0.164 4.713 4.550 -0.000 0.000 0.328 270 Y C 0.456 176.042 175.900 -0.524 0.000 1.162 270 Y CA -1.298 56.631 58.100 -0.285 0.000 1.174 270 Y CB 0.744 38.969 38.460 -0.392 0.000 1.228 270 Y HN 0.002 nan 8.280 nan 0.000 0.473 271 D N -0.005 120.090 120.400 -0.510 0.000 2.466 271 D HA 0.127 4.767 4.640 -0.000 0.000 0.262 271 D C 0.317 176.278 176.300 -0.564 0.000 1.177 271 D CA -0.495 53.040 54.000 -0.774 0.000 1.035 271 D CB 0.715 41.035 40.800 -0.801 0.000 1.105 271 D HN 0.506 nan 8.370 nan 0.000 0.551 272 Q N -0.625 119.035 119.800 -0.233 0.000 2.061 272 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 272 Q C 2.050 178.047 176.000 -0.004 0.000 0.984 272 Q CA 2.323 58.154 55.803 0.046 0.000 0.846 272 Q CB -0.409 28.378 28.738 0.082 0.000 0.902 272 Q HN 0.631 nan 8.270 nan 0.000 0.421 273 Q N 0.620 120.374 119.800 -0.076 0.000 2.112 273 Q HA -0.250 4.090 4.340 -0.000 0.000 0.206 273 Q C 1.782 177.742 176.000 -0.067 0.000 0.987 273 Q CA 1.880 57.651 55.803 -0.052 0.000 0.858 273 Q CB -0.116 28.584 28.738 -0.064 0.000 0.905 273 Q HN 0.104 nan 8.270 nan 0.000 0.420 274 K N -0.862 119.441 120.400 -0.161 0.000 2.097 274 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 274 K C 1.664 178.194 176.600 -0.116 0.000 1.050 274 K CA 1.509 57.690 56.287 -0.178 0.000 0.938 274 K CB -0.541 31.817 32.500 -0.237 0.000 0.718 274 K HN 0.322 nan 8.250 nan 0.000 0.442 275 Y N 0.669 120.959 120.300 -0.017 0.000 2.114 275 Y HA -0.093 4.456 4.550 -0.000 0.000 0.284 275 Y C 2.530 178.433 175.900 0.005 0.000 1.143 275 Y CA 1.687 59.784 58.100 -0.006 0.000 1.135 275 Y CB -0.779 37.690 38.460 0.016 0.000 0.980 275 Y HN 0.108 nan 8.280 nan 0.000 0.499 276 R N 0.658 121.257 120.500 0.165 0.000 2.080 276 R HA -0.208 4.132 4.340 -0.000 0.000 0.236 276 R C 1.833 178.188 176.300 0.091 0.000 1.137 276 R CA 2.161 58.321 56.100 0.101 0.000 0.943 276 R CB -0.478 29.867 30.300 0.074 0.000 0.846 276 R HN 0.499 nan 8.270 nan 0.000 0.431 277 N N -0.315 118.425 118.700 0.066 0.000 2.166 277 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 277 N C 1.752 177.296 175.510 0.057 0.000 1.019 277 N CA 0.972 54.059 53.050 0.061 0.000 0.856 277 N CB -0.139 38.358 38.487 0.017 0.000 0.993 277 N HN 0.309 nan 8.380 nan 0.000 0.426 278 A N 1.032 123.873 122.820 0.035 0.000 1.972 278 A HA 0.013 4.333 4.320 -0.000 0.000 0.219 278 A C 2.266 179.928 177.584 0.130 0.000 1.169 278 A CA 1.580 53.628 52.037 0.019 0.000 0.635 278 A CB -0.606 18.404 19.000 0.016 0.000 0.810 278 A HN 0.359 nan 8.150 nan 0.000 0.446 279 A N -0.035 122.884 122.820 0.164 0.000 1.840 279 A HA -0.111 4.209 4.320 -0.000 0.000 0.214 279 A C 1.888 179.585 177.584 0.189 0.000 1.198 279 A CA 1.416 53.563 52.037 0.183 0.000 0.608 279 A CB -0.633 18.423 19.000 0.093 0.000 0.839 279 A HN 0.569 nan 8.150 nan 0.000 0.443 280 E N 0.067 120.377 120.200 0.183 0.000 2.065 280 E HA -0.260 4.090 4.350 -0.000 0.000 0.201 280 E C 1.894 178.751 176.600 0.429 0.000 1.016 280 E CA 1.598 58.198 56.400 0.333 0.000 0.818 280 E CB -0.331 29.600 29.700 0.385 0.000 0.749 280 E HN 0.567 nan 8.360 nan 0.000 0.453 281 N N 0.078 118.948 118.700 0.285 0.000 2.166 281 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 281 N C 1.762 177.389 175.510 0.196 0.000 1.019 281 N CA 1.274 54.463 53.050 0.231 0.000 0.856 281 N CB -0.671 37.855 38.487 0.065 0.000 0.993 281 N HN 0.245 nan 8.380 nan 0.000 0.426 282 G N -0.650 108.230 108.800 0.133 0.000 2.402 282 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 282 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 282 G C 1.481 176.517 174.900 0.228 0.000 1.162 282 G CA 0.554 45.737 45.100 0.139 0.000 0.777 282 G HN 0.327 nan 8.290 nan 0.000 0.539 283 Y N 0.342 120.713 120.300 0.119 0.000 2.070 283 Y HA -0.151 4.399 4.550 -0.000 0.000 0.279 283 Y C 2.600 178.522 175.900 0.037 0.000 1.134 283 Y CA 1.752 59.861 58.100 0.015 0.000 1.113 283 Y CB -0.472 37.889 38.460 -0.165 0.000 0.981 283 Y HN 0.283 nan 8.280 nan 0.000 0.487 284 W N -0.818 120.670 121.300 0.314 0.000 2.392 284 W HA -0.160 4.500 4.660 -0.000 0.000 0.279 284 W C 2.519 179.106 176.519 0.112 0.000 1.225 284 W CA 1.424 58.883 57.345 0.190 0.000 1.233 284 W CB -0.648 28.966 29.460 0.258 0.000 1.122 284 W HN 0.311 nan 8.180 nan 0.000 0.561 285 H N 0.153 119.375 119.070 0.254 0.000 2.353 285 H HA -0.144 4.412 4.556 -0.000 0.000 0.300 285 H C 2.015 177.429 175.328 0.143 0.000 1.090 285 H CA 2.137 58.321 56.048 0.225 0.000 1.327 285 H CB -0.292 29.570 29.762 0.166 0.000 1.383 285 H HN 0.075 nan 8.280 nan 0.000 0.508 286 L N 0.001 121.219 121.223 -0.009 0.000 2.131 286 L HA -0.100 4.240 4.340 -0.000 0.000 0.206 286 L C 2.524 179.272 176.870 -0.204 0.000 1.087 286 L CA 0.701 55.363 54.840 -0.296 0.000 0.767 286 L CB -0.265 41.228 42.059 -0.944 0.000 0.917 286 L HN 0.225 nan 8.230 nan 0.000 0.441 287 K N 0.087 120.419 120.400 -0.112 0.000 2.127 287 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 287 K C 1.946 178.549 176.600 0.006 0.000 1.047 287 K CA 1.395 57.717 56.287 0.058 0.000 0.927 287 K CB -0.031 32.557 32.500 0.147 0.000 0.716 287 K HN 0.335 nan 8.250 nan 0.000 0.450 288 E N -0.716 119.431 120.200 -0.089 0.000 2.122 288 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 288 E C 1.551 177.806 176.600 -0.576 0.000 0.977 288 E CA 0.919 57.127 56.400 -0.319 0.000 0.820 288 E CB 0.198 29.678 29.700 -0.368 0.000 0.770 288 E HN 0.448 nan 8.360 nan 0.000 0.462 289 H N -1.225 117.612 119.070 -0.388 0.000 3.170 289 H HA 0.134 4.690 4.556 -0.000 0.000 0.264 289 H C 1.488 176.380 175.328 -0.726 0.000 1.113 289 H CA -0.080 55.606 56.048 -0.603 0.000 1.194 289 H CB 0.493 29.740 29.762 -0.858 0.000 1.553 289 H HN 0.068 nan 8.280 nan 0.000 0.538 290 N N 1.482 119.980 118.700 -0.337 0.000 2.049 290 N HA -0.195 4.545 4.740 -0.000 0.000 0.198 290 N C 2.088 177.473 175.510 -0.208 0.000 1.030 290 N CA 3.104 56.023 53.050 -0.218 0.000 0.870 290 N CB -0.151 38.354 38.487 0.031 0.000 1.045 290 N HN 0.386 nan 8.380 nan 0.000 0.434 291 T N -2.660 111.797 114.554 -0.162 0.000 3.007 291 T HA -0.077 4.272 4.350 -0.000 0.000 0.270 291 T C 1.570 176.188 174.700 -0.136 0.000 1.107 291 T CA 1.043 63.079 62.100 -0.106 0.000 1.118 291 T CB -0.314 68.509 68.868 -0.075 0.000 0.889 291 T HN 0.351 nan 8.240 nan 0.000 0.506 292 Q N -0.538 119.110 119.800 -0.254 0.000 2.311 292 Q HA 0.060 4.400 4.340 -0.000 0.000 0.203 292 Q C 1.379 177.334 176.000 -0.074 0.000 0.954 292 Q CA 0.917 56.595 55.803 -0.208 0.000 0.885 292 Q CB -0.106 28.462 28.738 -0.284 0.000 0.963 292 Q HN 0.624 nan 8.270 nan 0.000 0.471 293 Y N 0.130 120.377 120.300 -0.088 0.000 2.476 293 Y HA 0.140 4.690 4.550 -0.000 0.000 0.283 293 Y C 0.689 176.535 175.900 -0.090 0.000 1.109 293 Y CA -0.285 57.747 58.100 -0.114 0.000 1.246 293 Y CB -0.100 38.289 38.460 -0.118 0.000 1.068 293 Y HN -0.026 nan 8.280 nan 0.000 0.552 294 L N 1.507 122.767 121.223 0.061 0.000 2.360 294 L HA 0.114 4.454 4.340 -0.000 0.000 0.276 294 L C 1.296 178.149 176.870 -0.028 0.000 1.121 294 L CA -0.010 54.831 54.840 0.001 0.000 0.845 294 L CB 0.421 42.467 42.059 -0.022 0.000 1.143 294 L HN 0.216 nan 8.230 nan 0.000 0.452 295 N N 2.206 120.879 118.700 -0.044 0.000 2.149 295 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 295 N C 0.870 176.346 175.510 -0.056 0.000 1.019 295 N CA 1.815 54.837 53.050 -0.047 0.000 0.857 295 N CB 0.094 38.558 38.487 -0.038 0.000 0.997 295 N HN 0.785 nan 8.380 nan 0.000 0.426 296 D N -1.295 119.059 120.400 -0.077 0.000 2.367 296 D HA 0.094 4.734 4.640 -0.000 0.000 0.207 296 D C 1.375 177.646 176.300 -0.048 0.000 1.034 296 D CA 0.888 54.848 54.000 -0.067 0.000 0.861 296 D CB -0.043 40.699 40.800 -0.096 0.000 0.943 296 D HN 0.256 nan 8.370 nan 0.000 0.515 297 G N 0.245 109.015 108.800 -0.050 0.000 2.268 297 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.240 297 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.240 297 G C 0.088 174.970 174.900 -0.031 0.000 1.010 297 G CA 0.184 45.260 45.100 -0.040 0.000 0.618 297 G HN 0.544 nan 8.290 nan 0.000 0.516 298 E N 1.453 121.636 120.200 -0.029 0.000 2.200 298 E HA 0.436 4.786 4.350 -0.000 0.000 0.283 298 E C 0.118 176.713 176.600 -0.008 0.000 1.015 298 E CA -0.477 55.918 56.400 -0.008 0.000 0.819 298 E CB 0.430 30.136 29.700 0.011 0.000 1.081 298 E HN 0.479 nan 8.360 nan 0.000 0.397 299 E N 2.922 123.133 120.200 0.019 0.000 2.384 299 E HA 0.013 4.363 4.350 -0.000 0.000 0.266 299 E C -0.208 176.409 176.600 0.028 0.000 1.012 299 E CA 0.057 56.476 56.400 0.032 0.000 0.901 299 E CB 0.620 30.374 29.700 0.090 0.000 0.967 299 E HN 0.501 nan 8.360 nan 0.000 0.435 300 N N 1.988 120.687 118.700 -0.002 0.000 3.184 300 N HA 0.141 4.880 4.740 -0.000 0.000 0.353 300 N C 0.700 176.172 175.510 -0.063 0.000 1.441 300 N CA -0.697 52.368 53.050 0.025 0.000 0.723 300 N CB 0.133 38.694 38.487 0.123 0.000 1.547 300 N HN 0.472 nan 8.380 nan 0.000 0.624 301 I N -0.230 120.299 120.570 -0.069 0.000 2.286 301 I HA -0.143 4.027 4.170 -0.000 0.000 0.248 301 I C 1.390 177.185 176.117 -0.537 0.000 1.115 301 I CA 1.349 62.523 61.300 -0.209 0.000 1.392 301 I CB -0.135 37.745 38.000 -0.201 0.000 1.065 301 I HN 0.507 nan 8.210 nan 0.000 0.418 302 I N 0.682 120.908 120.570 -0.574 0.000 2.252 302 I HA -0.289 3.880 4.170 -0.000 0.000 0.245 302 I C 2.109 177.700 176.117 -0.876 0.000 1.102 302 I CA 1.378 62.047 61.300 -1.052 0.000 1.385 302 I CB -0.824 36.934 38.000 -0.403 0.000 1.064 302 I HN 0.257 nan 8.210 nan 0.000 0.414 303 D N 1.048 121.170 120.400 -0.463 0.000 2.133 303 D HA -0.208 4.432 4.640 -0.000 0.000 0.195 303 D C 2.059 177.961 176.300 -0.664 0.000 0.997 303 D CA 1.612 55.383 54.000 -0.382 0.000 0.840 303 D CB -0.138 40.562 40.800 -0.166 0.000 0.947 303 D HN 0.504 nan 8.370 nan 0.000 0.452 304 E N -0.103 119.788 120.200 -0.515 0.000 2.072 304 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 304 E C 2.224 178.565 176.600 -0.432 0.000 0.982 304 E CA 0.828 56.984 56.400 -0.407 0.000 0.803 304 E CB -0.234 29.436 29.700 -0.050 0.000 0.755 304 E HN 0.510 nan 8.360 nan 0.000 0.453 305 Y N -0.614 119.465 120.300 -0.368 0.000 2.314 305 Y HA -0.062 4.488 4.550 -0.000 0.000 0.293 305 Y C 2.102 177.771 175.900 -0.385 0.000 1.129 305 Y CA 0.103 57.984 58.100 -0.364 0.000 1.201 305 Y CB -1.022 37.206 38.460 -0.387 0.000 0.999 305 Y HN -0.021 nan 8.280 nan 0.000 0.541 306 C N 1.298 120.379 119.300 -0.366 0.000 2.453 306 C HA 0.024 4.484 4.460 -0.000 0.000 0.277 306 C C 3.219 177.963 174.990 -0.410 0.000 1.262 306 C CA 1.289 60.133 59.018 -0.291 0.000 1.718 306 C CB -1.511 26.076 27.740 -0.255 0.000 2.031 306 C HN 0.773 nan 8.230 nan 0.000 0.480 307 A N 0.161 122.472 122.820 -0.850 0.000 1.933 307 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 307 A C 2.028 179.086 177.584 -0.876 0.000 1.175 307 A CA 1.490 52.715 52.037 -1.355 0.000 0.628 307 A CB -0.614 16.528 19.000 -3.097 0.000 0.814 307 A HN 0.487 nan 8.150 nan 0.000 0.444 308 L N -0.076 120.777 121.223 -0.616 0.000 2.012 308 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 308 L C 2.308 179.100 176.870 -0.131 0.000 1.073 308 L CA 1.749 56.460 54.840 -0.216 0.000 0.748 308 L CB -0.720 41.278 42.059 -0.101 0.000 0.891 308 L HN 0.418 nan 8.230 nan 0.000 0.431 309 L N -0.742 120.378 121.223 -0.171 0.000 2.012 309 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 309 L C 2.680 179.509 176.870 -0.068 0.000 1.073 309 L CA 1.409 56.170 54.840 -0.132 0.000 0.748 309 L CB -1.020 40.845 42.059 -0.322 0.000 0.891 309 L HN 0.411 nan 8.230 nan 0.000 0.431 310 A N 0.437 123.189 122.820 -0.113 0.000 1.859 310 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 310 A C 2.510 179.981 177.584 -0.189 0.000 1.198 310 A CA 2.705 54.700 52.037 -0.070 0.000 0.629 310 A CB -1.026 18.030 19.000 0.093 0.000 0.830 310 A HN 0.550 nan 8.150 nan 0.000 0.446 311 S N -0.626 114.938 115.700 -0.226 0.000 2.399 311 S HA -0.098 4.372 4.470 -0.000 0.000 0.231 311 S C 1.738 176.320 174.600 -0.030 0.000 1.022 311 S CA 1.367 59.422 58.200 -0.241 0.000 0.983 311 S CB -0.873 62.321 63.200 -0.009 0.000 0.803 311 S HN 0.259 nan 8.310 nan 0.000 0.480 312 V N 2.362 122.302 119.914 0.042 0.000 2.270 312 V HA -0.104 4.016 4.120 -0.000 0.000 0.245 312 V C 2.956 179.143 176.094 0.154 0.000 1.043 312 V CA 1.872 64.261 62.300 0.148 0.000 1.014 312 V CB -0.668 31.255 31.823 0.167 0.000 0.645 312 V HN 0.422 nan 8.190 nan 0.000 0.447 313 E N 0.060 120.315 120.200 0.092 0.000 2.077 313 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 313 E C 2.244 178.823 176.600 -0.035 0.000 0.989 313 E CA 1.063 57.506 56.400 0.073 0.000 0.800 313 E CB -0.363 29.408 29.700 0.118 0.000 0.746 313 E HN 0.496 nan 8.360 nan 0.000 0.452 314 L N 0.013 121.127 121.223 -0.182 0.000 2.042 314 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 314 L C 2.470 179.162 176.870 -0.297 0.000 1.076 314 L CA 1.155 55.722 54.840 -0.454 0.000 0.749 314 L CB -0.403 41.008 42.059 -1.079 0.000 0.893 314 L HN 0.079 nan 8.230 nan 0.000 0.432 315 F N 0.787 120.644 119.950 -0.154 0.000 2.171 315 F HA -0.228 4.299 4.527 -0.000 0.000 0.300 315 F C 2.457 178.291 175.800 0.057 0.000 1.090 315 F CA 1.582 59.629 58.000 0.080 0.000 1.293 315 F CB -0.121 38.965 39.000 0.144 0.000 1.013 315 F HN -0.107 nan 8.300 nan 0.000 0.486 316 K N -0.050 120.362 120.400 0.019 0.000 2.097 316 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 316 K C 2.235 178.766 176.600 -0.114 0.000 1.050 316 K CA 1.102 57.356 56.287 -0.055 0.000 0.938 316 K CB -0.438 32.093 32.500 0.053 0.000 0.718 316 K HN 0.362 nan 8.250 nan 0.000 0.442 317 A N 1.226 123.993 122.820 -0.088 0.000 1.878 317 A HA -0.098 4.222 4.320 -0.000 0.000 0.213 317 A C 2.284 179.831 177.584 -0.062 0.000 1.192 317 A CA 1.836 53.835 52.037 -0.064 0.000 0.619 317 A CB -0.656 18.318 19.000 -0.043 0.000 0.837 317 A HN 0.418 nan 8.150 nan 0.000 0.446 318 T N -3.765 110.753 114.554 -0.061 0.000 3.035 318 T HA 0.087 4.437 4.350 -0.000 0.000 0.259 318 T C 0.818 175.495 174.700 -0.040 0.000 1.078 318 T CA 0.970 63.080 62.100 0.017 0.000 1.132 318 T CB -0.306 68.671 68.868 0.183 0.000 0.900 318 T HN 0.491 nan 8.240 nan 0.000 0.480 319 K N 1.001 121.267 120.400 -0.223 0.000 3.209 319 K HA -0.148 4.172 4.320 -0.000 0.000 0.289 319 K C -0.649 175.858 176.600 -0.155 0.000 1.191 319 K CA 0.775 56.812 56.287 -0.416 0.000 0.851 319 K CB -1.742 30.604 32.500 -0.258 0.000 1.242 319 K HN 0.643 nan 8.250 nan 0.000 0.480 320 E N 0.314 120.568 120.200 0.091 0.000 2.229 320 E HA 0.072 4.422 4.350 -0.000 0.000 0.283 320 E C 0.973 177.807 176.600 0.390 0.000 1.030 320 E CA -0.087 56.448 56.400 0.225 0.000 0.836 320 E CB 0.821 30.662 29.700 0.235 0.000 1.068 320 E HN 0.149 nan 8.360 nan 0.000 0.401 321 T N 2.719 117.457 114.554 0.308 0.000 2.897 321 T HA -0.226 4.124 4.350 -0.000 0.000 0.271 321 T C 1.671 176.495 174.700 0.207 0.000 1.084 321 T CA 1.303 63.594 62.100 0.319 0.000 1.123 321 T CB -0.219 68.760 68.868 0.184 0.000 0.865 321 T HN 0.520 nan 8.240 nan 0.000 0.496 322 R N 0.137 120.707 120.500 0.116 0.000 2.148 322 R HA -0.038 4.302 4.340 -0.000 0.000 0.227 322 R C 1.650 178.001 176.300 0.085 0.000 1.103 322 R CA 1.174 57.304 56.100 0.051 0.000 0.983 322 R CB -0.778 29.505 30.300 -0.029 0.000 0.874 322 R HN 0.332 nan 8.270 nan 0.000 0.451 323 Y N 0.629 121.109 120.300 0.301 0.000 2.337 323 Y HA 0.015 4.565 4.550 -0.000 0.000 0.293 323 Y C 1.984 177.953 175.900 0.115 0.000 1.123 323 Y CA 0.181 58.410 58.100 0.215 0.000 1.201 323 Y CB -0.283 38.329 38.460 0.254 0.000 1.011 323 Y HN 0.043 nan 8.280 nan 0.000 0.545 324 L N 0.349 121.659 121.223 0.145 0.000 2.083 324 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 324 L C 2.018 178.875 176.870 -0.023 0.000 1.083 324 L CA 1.818 56.522 54.840 -0.226 0.000 0.752 324 L CB -0.553 41.185 42.059 -0.534 0.000 0.899 324 L HN 0.069 nan 8.230 nan 0.000 0.433 325 E N -0.174 120.049 120.200 0.038 0.000 2.072 325 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 325 E C 2.066 178.677 176.600 0.018 0.000 0.985 325 E CA 1.029 57.447 56.400 0.029 0.000 0.801 325 E CB -0.194 29.533 29.700 0.045 0.000 0.750 325 E HN 0.549 nan 8.360 nan 0.000 0.452 326 E N 0.770 121.026 120.200 0.095 0.000 2.077 326 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 326 E C 2.210 178.882 176.600 0.121 0.000 0.989 326 E CA 0.663 57.136 56.400 0.121 0.000 0.800 326 E CB -0.274 29.600 29.700 0.291 0.000 0.746 326 E HN 0.071 nan 8.360 nan 0.000 0.452 327 S N 0.873 116.645 115.700 0.119 0.000 2.356 327 S HA -0.122 4.347 4.470 -0.000 0.000 0.223 327 S C 1.919 176.387 174.600 -0.220 0.000 1.032 327 S CA 0.946 59.179 58.200 0.057 0.000 1.005 327 S CB -0.142 63.140 63.200 0.137 0.000 0.867 327 S HN 0.245 nan 8.310 nan 0.000 0.449 328 R N 0.690 121.082 120.500 -0.180 0.000 2.091 328 R HA -0.081 4.259 4.340 -0.000 0.000 0.238 328 R C 2.445 178.581 176.300 -0.273 0.000 1.136 328 R CA 1.334 57.272 56.100 -0.271 0.000 0.959 328 R CB -0.760 29.505 30.300 -0.058 0.000 0.856 328 R HN 0.364 nan 8.270 nan 0.000 0.437 329 L N -0.163 120.915 121.223 -0.241 0.000 1.989 329 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 329 L C 1.982 178.630 176.870 -0.370 0.000 1.071 329 L CA 1.780 56.408 54.840 -0.353 0.000 0.749 329 L CB -0.281 41.475 42.059 -0.505 0.000 0.890 329 L HN 0.228 nan 8.230 nan 0.000 0.431 330 W N -0.692 120.492 121.300 -0.193 0.000 2.418 330 W HA -0.068 4.592 4.660 -0.000 0.000 0.292 330 W C 2.597 178.973 176.519 -0.240 0.000 1.213 330 W CA 0.744 57.963 57.345 -0.211 0.000 1.283 330 W CB -0.437 28.893 29.460 -0.217 0.000 1.119 330 W HN 0.287 nan 8.180 nan 0.000 0.542 331 A N 0.354 123.083 122.820 -0.153 0.000 1.859 331 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 331 A C 1.998 179.490 177.584 -0.152 0.000 1.198 331 A CA 1.872 53.738 52.037 -0.285 0.000 0.629 331 A CB -0.978 17.514 19.000 -0.846 0.000 0.830 331 A HN 0.237 nan 8.150 nan 0.000 0.446 332 Q N -0.533 119.164 119.800 -0.172 0.000 2.124 332 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 332 Q C 2.206 178.170 176.000 -0.060 0.000 0.977 332 Q CA 1.526 57.269 55.803 -0.100 0.000 0.850 332 Q CB -0.395 28.277 28.738 -0.109 0.000 0.901 332 Q HN 0.694 nan 8.270 nan 0.000 0.429 333 R N -0.040 120.420 120.500 -0.066 0.000 2.092 333 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 333 R C 2.277 178.594 176.300 0.028 0.000 1.119 333 R CA 0.685 56.769 56.100 -0.026 0.000 0.970 333 R CB -0.253 30.024 30.300 -0.038 0.000 0.864 333 R HN 0.126 nan 8.270 nan 0.000 0.440 334 L N 0.553 121.800 121.223 0.039 0.000 2.044 334 L HA -0.083 4.256 4.340 -0.000 0.000 0.205 334 L C 2.062 179.023 176.870 0.151 0.000 1.075 334 L CA 1.402 56.273 54.840 0.051 0.000 0.747 334 L CB -0.405 41.652 42.059 -0.003 0.000 0.903 334 L HN -0.138 nan 8.230 nan 0.000 0.435 335 V N 0.614 120.600 119.914 0.120 0.000 2.317 335 V HA -0.382 3.738 4.120 -0.000 0.000 0.251 335 V C 2.720 178.865 176.094 0.086 0.000 1.065 335 V CA 1.863 64.243 62.300 0.133 0.000 1.049 335 V CB -1.399 30.451 31.823 0.045 0.000 0.651 335 V HN 0.630 nan 8.190 nan 0.000 0.450 336 A N -0.707 122.141 122.820 0.045 0.000 2.225 336 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 336 A C 2.154 179.751 177.584 0.020 0.000 1.164 336 A CA 1.012 53.055 52.037 0.009 0.000 0.710 336 A CB -0.389 18.608 19.000 -0.005 0.000 0.780 336 A HN 0.455 nan 8.150 nan 0.000 0.473 337 R N -0.286 120.279 120.500 0.108 0.000 2.240 337 R HA 0.006 4.346 4.340 -0.000 0.000 0.203 337 R C 0.873 177.200 176.300 0.044 0.000 1.011 337 R CA 0.325 56.511 56.100 0.144 0.000 1.007 337 R CB -0.492 29.966 30.300 0.264 0.000 0.911 337 R HN 0.754 nan 8.270 nan 0.000 0.468 338 Q N 1.270 121.007 119.800 -0.106 0.000 2.286 338 Q HA 0.190 4.530 4.340 -0.000 0.000 0.265 338 Q C -0.752 174.996 176.000 -0.421 0.000 1.080 338 Q CA 0.389 55.882 55.803 -0.517 0.000 0.906 338 Q CB 0.379 28.708 28.738 -0.682 0.000 1.227 338 Q HN 0.007 nan 8.270 nan 0.000 0.409 339 M N 1.723 120.929 119.600 -0.657 0.000 2.572 339 M HA 0.459 4.938 4.480 -0.000 0.000 0.299 339 M C -0.794 175.103 176.300 -0.671 0.000 1.205 339 M CA -0.866 54.081 55.300 -0.588 0.000 0.876 339 M CB 2.632 34.884 32.600 -0.579 0.000 1.728 339 M HN 0.423 nan 8.290 nan 0.000 0.458 340 S N 0.811 116.323 115.700 -0.313 0.000 2.681 340 S HA 0.722 5.192 4.470 -0.000 0.000 0.299 340 S C -0.882 173.786 174.600 0.112 0.000 1.113 340 S CA -0.768 57.345 58.200 -0.145 0.000 1.013 340 S CB 1.460 64.492 63.200 -0.280 0.000 1.076 340 S HN 0.798 nan 8.310 nan 0.000 0.534 341 D N -0.296 120.223 120.400 0.198 0.000 3.158 341 D HA 0.238 4.878 4.640 -0.000 0.000 0.314 341 D C 0.519 176.844 176.300 0.041 0.000 1.308 341 D CA -0.514 53.580 54.000 0.156 0.000 1.001 341 D CB -0.188 40.777 40.800 0.274 0.000 1.389 341 D HN 0.308 nan 8.370 nan 0.000 0.595 342 E N 0.053 120.272 120.200 0.032 0.000 2.023 342 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 342 E C 1.887 178.463 176.600 -0.040 0.000 1.003 342 E CA 1.759 58.156 56.400 -0.004 0.000 0.809 342 E CB -0.121 29.582 29.700 0.005 0.000 0.755 342 E HN 0.480 nan 8.360 nan 0.000 0.449 343 Q N -0.419 119.344 119.800 -0.062 0.000 2.033 343 Q HA 0.022 4.362 4.340 -0.000 0.000 0.196 343 Q C 0.602 176.467 176.000 -0.226 0.000 0.970 343 Q CA 0.645 56.364 55.803 -0.140 0.000 0.828 343 Q CB 0.409 29.060 28.738 -0.145 0.000 0.895 343 Q HN 0.159 nan 8.270 nan 0.000 0.440 344 I N 0.791 121.180 120.570 -0.302 0.000 2.530 344 I HA 0.261 4.431 4.170 -0.000 0.000 0.297 344 I C -0.253 175.823 176.117 -0.069 0.000 1.011 344 I CA -0.700 60.442 61.300 -0.264 0.000 1.107 344 I CB 1.627 39.298 38.000 -0.547 0.000 1.285 344 I HN 0.105 nan 8.210 nan 0.000 0.436 345 Q N 4.373 124.121 119.800 -0.086 0.000 2.256 345 Q HA 0.247 4.587 4.340 -0.000 0.000 0.254 345 Q C -0.336 175.551 176.000 -0.187 0.000 0.916 345 Q CA -0.255 55.402 55.803 -0.244 0.000 0.932 345 Q CB 0.822 29.400 28.738 -0.267 0.000 1.207 345 Q HN 0.543 nan 8.270 nan 0.000 0.426 346 H N 0.723 119.701 119.070 -0.152 0.000 2.839 346 H HA -0.204 4.352 4.556 -0.000 0.000 0.298 346 H C -0.030 174.846 175.328 -0.754 0.000 1.224 346 H CA 0.757 56.569 56.048 -0.392 0.000 1.144 346 H CB -2.667 26.919 29.762 -0.293 0.000 1.372 346 H HN 0.557 nan 8.280 nan 0.000 0.408 347 F N -1.749 117.761 119.950 -0.734 0.000 2.408 347 F HA 0.483 5.010 4.527 -0.000 0.000 0.303 347 F C 0.582 175.920 175.800 -0.770 0.000 1.268 347 F CA -1.083 56.231 58.000 -1.144 0.000 1.218 347 F CB 0.468 39.206 39.000 -0.437 0.000 1.283 347 F HN -0.035 nan 8.300 nan 0.000 0.545 348 W N 1.021 122.250 121.300 -0.119 0.000 2.478 348 W HA 0.532 5.192 4.660 -0.000 0.000 0.318 348 W C -0.653 176.023 176.519 0.262 0.000 1.062 348 W CA -0.830 56.527 57.345 0.019 0.000 1.210 348 W CB 1.824 31.408 29.460 0.207 0.000 1.325 348 W HN 0.685 nan 8.180 nan 0.000 0.496 349 S N 1.527 117.423 115.700 0.327 0.000 2.541 349 S HA 0.689 5.159 4.470 -0.000 0.000 0.283 349 S C 0.513 175.278 174.600 0.275 0.000 1.196 349 S CA -0.417 57.974 58.200 0.318 0.000 1.062 349 S CB 1.873 65.148 63.200 0.126 0.000 1.009 349 S HN 0.614 nan 8.310 nan 0.000 0.502 350 A N 3.099 126.053 122.820 0.224 0.000 1.843 350 A HA 0.085 4.405 4.320 -0.000 0.000 0.213 350 A C 1.173 178.834 177.584 0.129 0.000 1.202 350 A CA 1.086 53.214 52.037 0.152 0.000 0.607 350 A CB -1.190 17.761 19.000 -0.081 0.000 0.847 350 A HN 0.950 nan 8.150 nan 0.000 0.445 351 N N -1.388 117.325 118.700 0.022 0.000 2.443 351 N HA 0.282 5.022 4.740 -0.000 0.000 0.294 351 N C 0.474 176.036 175.510 0.086 0.000 1.289 351 N CA -0.012 53.104 53.050 0.110 0.000 0.966 351 N CB -0.061 38.481 38.487 0.092 0.000 1.122 351 N HN 0.134 nan 8.380 nan 0.000 0.569 352 Q N -1.179 118.667 119.800 0.077 0.000 2.083 352 Q HA -0.054 4.286 4.340 -0.000 0.000 0.198 352 Q C 0.569 176.591 176.000 0.037 0.000 0.969 352 Q CA 1.778 57.612 55.803 0.052 0.000 0.838 352 Q CB -0.255 28.510 28.738 0.044 0.000 0.900 352 Q HN 0.821 nan 8.270 nan 0.000 0.436 353 D N -2.856 117.570 120.400 0.044 0.000 2.354 353 D HA 0.125 4.764 4.640 -0.000 0.000 0.209 353 D C 1.015 177.355 176.300 0.066 0.000 1.015 353 D CA 0.878 54.903 54.000 0.041 0.000 0.867 353 D CB 0.078 40.902 40.800 0.039 0.000 0.933 353 D HN 0.330 nan 8.370 nan 0.000 0.520 354 G N 0.458 109.317 108.800 0.099 0.000 2.176 354 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.232 354 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.232 354 G C 1.149 176.172 174.900 0.205 0.000 0.986 354 G CA 0.819 46.051 45.100 0.220 0.000 0.643 354 G HN 0.633 nan 8.290 nan 0.000 0.522 355 S N -0.831 114.923 115.700 0.090 0.000 2.447 355 S HA 0.158 4.628 4.470 -0.000 0.000 0.233 355 S C 1.127 175.713 174.600 -0.023 0.000 1.006 355 S CA 1.268 59.487 58.200 0.031 0.000 0.957 355 S CB 0.229 63.440 63.200 0.019 0.000 0.773 355 S HN 0.507 nan 8.310 nan 0.000 0.507 356 R N 2.081 122.565 120.500 -0.028 0.000 2.473 356 R HA 0.454 4.794 4.340 -0.000 0.000 0.303 356 R C -3.287 173.024 176.300 0.017 0.000 1.002 356 R CA -2.188 53.856 56.100 -0.093 0.000 0.884 356 R CB 1.839 31.965 30.300 -0.291 0.000 1.173 356 R HN 0.217 nan 8.270 nan 0.000 0.464 357 P HA 0.050 nan 4.420 nan 0.000 0.276 357 P C -0.995 176.553 177.300 0.413 0.000 1.244 357 P CA -0.404 62.858 63.100 0.269 0.000 0.801 357 P CB 0.644 32.282 31.700 -0.103 0.000 1.006 358 Y N 3.818 124.356 120.300 0.397 0.000 2.393 358 Y HA 0.409 4.959 4.550 -0.000 0.000 0.338 358 Y C -0.748 175.444 175.900 0.487 0.000 1.029 358 Y CA -0.452 57.853 58.100 0.342 0.000 1.239 358 Y CB -0.326 38.340 38.460 0.343 0.000 1.170 358 Y HN 0.256 nan 8.280 nan 0.000 0.515 359 F N 5.257 125.037 119.950 -0.284 0.000 2.573 359 F HA 0.471 4.998 4.527 -0.000 0.000 0.316 359 F C -1.705 173.911 175.800 -0.307 0.000 1.148 359 F CA -0.920 56.913 58.000 -0.279 0.000 0.940 359 F CB 1.305 40.286 39.000 -0.033 0.000 1.214 359 F HN 0.483 nan 8.300 nan 0.000 0.448 360 H N 3.486 122.350 119.070 -0.343 0.000 2.906 360 H HA 0.522 5.078 4.556 -0.000 0.000 0.324 360 H C 0.248 175.624 175.328 0.080 0.000 0.973 360 H CA -0.023 55.917 56.048 -0.180 0.000 1.321 360 H CB 2.305 31.938 29.762 -0.216 0.000 1.535 360 H HN 0.993 nan 8.280 nan 0.000 0.518 361 A N 3.374 126.377 122.820 0.306 0.000 2.186 361 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 361 A C 1.739 179.649 177.584 0.544 0.000 1.159 361 A CA 1.720 54.019 52.037 0.437 0.000 0.680 361 A CB -0.068 19.211 19.000 0.466 0.000 0.787 361 A HN 0.646 nan 8.150 nan 0.000 0.467 362 A N -0.797 122.434 122.820 0.685 0.000 2.141 362 A HA 0.293 4.613 4.320 -0.000 0.000 0.201 362 A C 1.088 178.743 177.584 0.120 0.000 1.344 362 A CA 0.753 53.115 52.037 0.541 0.000 0.971 362 A CB 0.354 19.781 19.000 0.711 0.000 1.035 362 A HN 0.552 nan 8.150 nan 0.000 0.480 363 E N -1.045 119.123 120.200 -0.053 0.000 3.083 363 E HA 0.378 4.728 4.350 -0.000 0.000 0.168 363 E C 0.813 177.218 176.600 -0.325 0.000 0.934 363 E CA 0.455 56.616 56.400 -0.399 0.000 1.361 363 E CB -0.289 29.242 29.700 -0.281 0.000 1.032 363 E HN 0.245 nan 8.360 nan 0.000 0.447 364 A N 1.294 124.038 122.820 -0.125 0.000 2.148 364 A HA -0.089 4.231 4.320 -0.000 0.000 0.222 364 A C 2.081 179.668 177.584 0.005 0.000 1.161 364 A CA 1.752 53.795 52.037 0.011 0.000 0.662 364 A CB -0.705 18.312 19.000 0.029 0.000 0.799 364 A HN 0.417 nan 8.150 nan 0.000 0.466 365 G N -1.620 107.066 108.800 -0.190 0.000 3.088 365 G HA2 0.254 4.214 3.960 -0.000 0.000 0.212 365 G HA3 0.254 4.214 3.960 -0.000 0.000 0.212 365 G C 1.049 175.783 174.900 -0.277 0.000 1.173 365 G CA 0.320 45.318 45.100 -0.170 0.000 0.779 365 G HN 0.332 nan 8.290 nan 0.000 0.540 366 L N 1.036 121.980 121.223 -0.466 0.000 2.072 366 L HA 0.185 4.524 4.340 -0.000 0.000 0.205 366 L C -0.007 176.421 176.870 -0.736 0.000 1.079 366 L CA 1.029 55.487 54.840 -0.636 0.000 0.752 366 L CB -0.852 40.663 42.059 -0.905 0.000 0.906 366 L HN -0.007 nan 8.230 nan 0.000 0.436 367 P HA -0.169 nan 4.420 nan 0.000 0.216 367 P C 1.562 178.615 177.300 -0.411 0.000 1.157 367 P CA 2.070 64.674 63.100 -0.827 0.000 0.880 367 P CB -0.104 30.695 31.700 -1.501 0.000 0.791 368 T N -1.091 113.340 114.554 -0.205 0.000 2.857 368 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 368 T C 1.795 176.506 174.700 0.017 0.000 1.048 368 T CA 0.877 62.992 62.100 0.026 0.000 1.139 368 T CB -0.801 68.148 68.868 0.134 0.000 0.874 368 T HN 0.053 nan 8.240 nan 0.000 0.455 369 I N 1.429 121.984 120.570 -0.026 0.000 2.179 369 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 369 I C 2.917 179.055 176.117 0.035 0.000 1.088 369 I CA 1.127 62.457 61.300 0.050 0.000 1.357 369 I CB -0.457 37.587 38.000 0.075 0.000 1.051 369 I HN 0.190 nan 8.210 nan 0.000 0.409 370 A N 0.902 123.677 122.820 -0.075 0.000 1.883 370 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 370 A C 2.292 179.893 177.584 0.028 0.000 1.186 370 A CA 1.572 53.575 52.037 -0.056 0.000 0.624 370 A CB -0.960 17.972 19.000 -0.113 0.000 0.822 370 A HN 0.398 nan 8.150 nan 0.000 0.444 371 L N -0.908 120.329 121.223 0.023 0.000 2.083 371 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 371 L C 2.596 179.515 176.870 0.082 0.000 1.083 371 L CA 1.197 56.089 54.840 0.086 0.000 0.752 371 L CB -0.618 41.495 42.059 0.091 0.000 0.899 371 L HN 0.494 nan 8.230 nan 0.000 0.433 372 C N -0.648 118.685 119.300 0.055 0.000 2.446 372 C HA -0.060 4.399 4.460 -0.000 0.000 0.279 372 C C 2.657 177.701 174.990 0.090 0.000 1.366 372 C CA 0.118 59.144 59.018 0.014 0.000 1.763 372 C CB -0.622 27.233 27.740 0.192 0.000 1.929 372 C HN 0.469 nan 8.230 nan 0.000 0.509 373 E N 0.146 120.435 120.200 0.148 0.000 2.072 373 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 373 E C 1.754 178.449 176.600 0.158 0.000 0.985 373 E CA 1.208 57.719 56.400 0.185 0.000 0.801 373 E CB -0.582 29.250 29.700 0.220 0.000 0.750 373 E HN 0.818 nan 8.360 nan 0.000 0.452 374 Y N 1.560 121.871 120.300 0.019 0.000 2.145 374 Y HA -0.158 4.392 4.550 -0.000 0.000 0.286 374 Y C 2.128 178.004 175.900 -0.040 0.000 1.145 374 Y CA 1.386 59.478 58.100 -0.012 0.000 1.148 374 Y CB -0.486 37.961 38.460 -0.022 0.000 0.981 374 Y HN -0.065 nan 8.280 nan 0.000 0.507 375 L N -0.134 120.918 121.223 -0.285 0.000 2.353 375 L HA -0.138 4.202 4.340 -0.000 0.000 0.220 375 L C 2.511 179.249 176.870 -0.220 0.000 1.133 375 L CA 0.873 55.459 54.840 -0.423 0.000 0.798 375 L CB -0.733 40.998 42.059 -0.546 0.000 0.922 375 L HN 0.373 nan 8.230 nan 0.000 0.445 376 A N 0.483 123.260 122.820 -0.072 0.000 2.030 376 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 376 A C 2.082 179.679 177.584 0.021 0.000 1.164 376 A CA 0.720 52.790 52.037 0.056 0.000 0.697 376 A CB -0.246 18.834 19.000 0.134 0.000 0.827 376 A HN 0.509 nan 8.150 nan 0.000 0.457 377 I N -3.242 117.310 120.570 -0.030 0.000 3.645 377 I HA 0.238 4.408 4.170 -0.000 0.000 0.300 377 I C 0.616 176.656 176.117 -0.129 0.000 1.260 377 I CA 0.024 61.334 61.300 0.016 0.000 1.365 377 I CB 0.007 38.074 38.000 0.112 0.000 1.077 377 I HN 0.019 nan 8.210 nan 0.000 0.439 378 E N 2.696 122.711 120.200 -0.308 0.000 2.360 378 E HA -0.002 4.348 4.350 -0.000 0.000 0.269 378 E C 0.174 176.677 176.600 -0.161 0.000 1.022 378 E CA 0.435 56.630 56.400 -0.341 0.000 0.887 378 E CB 0.967 30.276 29.700 -0.652 0.000 0.990 378 E HN 0.583 nan 8.360 nan 0.000 0.426 379 D N 1.787 122.129 120.400 -0.096 0.000 2.369 379 D HA -0.037 4.603 4.640 -0.000 0.000 0.231 379 D C -0.183 176.104 176.300 -0.020 0.000 0.967 379 D CA 0.142 54.126 54.000 -0.027 0.000 0.905 379 D CB -0.200 40.607 40.800 0.012 0.000 1.044 379 D HN 0.477 nan 8.370 nan 0.000 0.487 380 D N 0.350 120.735 120.400 -0.024 0.000 2.264 380 D HA 0.075 4.715 4.640 -0.000 0.000 0.249 380 D C 0.890 177.179 176.300 -0.019 0.000 1.070 380 D CA -0.417 53.575 54.000 -0.012 0.000 0.912 380 D CB 2.074 42.872 40.800 -0.003 0.000 1.193 380 D HN 0.039 nan 8.370 nan 0.000 0.427 381 S N 1.536 117.231 115.700 -0.008 0.000 2.382 381 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 381 S C 1.744 176.341 174.600 -0.006 0.000 1.027 381 S CA 1.123 59.319 58.200 -0.006 0.000 0.991 381 S CB -0.270 62.930 63.200 0.001 0.000 0.823 381 S HN 0.451 nan 8.310 nan 0.000 0.469 382 V N 1.010 120.922 119.914 -0.003 0.000 2.649 382 V HA -0.018 4.101 4.120 -0.000 0.000 0.248 382 V C 2.327 178.424 176.094 0.005 0.000 1.054 382 V CA 1.558 63.859 62.300 0.001 0.000 1.073 382 V CB -0.569 31.255 31.823 0.002 0.000 0.699 382 V HN 0.486 nan 8.190 nan 0.000 0.463 383 Q N 0.427 120.230 119.800 0.006 0.000 2.096 383 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 383 Q C 2.342 178.366 176.000 0.039 0.000 0.982 383 Q CA 2.543 58.360 55.803 0.024 0.000 0.850 383 Q CB -0.618 28.136 28.738 0.025 0.000 0.901 383 Q HN 0.882 nan 8.270 nan 0.000 0.422 384 T N -1.127 113.429 114.554 0.003 0.000 2.915 384 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 384 T C 1.448 176.160 174.700 0.020 0.000 1.071 384 T CA 0.891 62.986 62.100 -0.007 0.000 1.132 384 T CB 0.043 68.866 68.868 -0.075 0.000 0.878 384 T HN 0.086 nan 8.240 nan 0.000 0.479 385 E N 1.884 122.092 120.200 0.013 0.000 2.204 385 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 385 E C 2.571 179.175 176.600 0.007 0.000 0.989 385 E CA 1.319 57.724 56.400 0.008 0.000 0.824 385 E CB -0.552 29.150 29.700 0.003 0.000 0.756 385 E HN 0.815 nan 8.360 nan 0.000 0.477 386 S N -0.058 115.651 115.700 0.014 0.000 2.453 386 S HA -0.058 4.412 4.470 -0.000 0.000 0.231 386 S C 2.030 176.635 174.600 0.009 0.000 1.005 386 S CA 0.911 59.114 58.200 0.004 0.000 0.949 386 S CB -0.082 63.121 63.200 0.004 0.000 0.774 386 S HN 0.058 nan 8.310 nan 0.000 0.510 387 V N 1.047 120.985 119.914 0.040 0.000 2.575 387 V HA 0.140 4.260 4.120 -0.000 0.000 0.242 387 V C 2.568 178.681 176.094 0.032 0.000 1.045 387 V CA 1.378 63.713 62.300 0.059 0.000 1.065 387 V CB -0.724 31.183 31.823 0.140 0.000 0.717 387 V HN 0.361 nan 8.190 nan 0.000 0.467 388 K N 0.849 121.259 120.400 0.017 0.000 2.127 388 K HA -0.246 4.074 4.320 -0.000 0.000 0.208 388 K C 2.028 178.633 176.600 0.008 0.000 1.047 388 K CA 2.238 58.531 56.287 0.010 0.000 0.927 388 K CB -0.489 32.020 32.500 0.014 0.000 0.716 388 K HN 0.792 nan 8.250 nan 0.000 0.450 389 C N -1.651 117.639 119.300 -0.016 0.000 2.912 389 C HA 0.353 4.813 4.460 -0.000 0.000 0.274 389 C C 2.067 177.002 174.990 -0.092 0.000 1.248 389 C CA -0.806 58.183 59.018 -0.048 0.000 1.694 389 C CB -0.544 27.161 27.740 -0.059 0.000 2.024 389 C HN 0.242 nan 8.230 nan 0.000 0.605 390 I N 1.840 122.367 120.570 -0.073 0.000 2.439 390 I HA -0.082 4.088 4.170 -0.000 0.000 0.251 390 I C 2.631 178.717 176.117 -0.051 0.000 1.139 390 I CA 1.226 62.462 61.300 -0.106 0.000 1.438 390 I CB -0.757 37.211 38.000 -0.055 0.000 1.085 390 I HN 0.234 nan 8.210 nan 0.000 0.427 391 V N 1.353 121.282 119.914 0.025 0.000 2.237 391 V HA -0.302 3.818 4.120 -0.000 0.000 0.245 391 V C 2.281 178.393 176.094 0.030 0.000 1.046 391 V CA 1.892 64.236 62.300 0.074 0.000 1.007 391 V CB -0.792 31.079 31.823 0.079 0.000 0.638 391 V HN 0.455 nan 8.190 nan 0.000 0.445 392 N N -0.191 118.507 118.700 -0.004 0.000 2.094 392 N HA -0.226 4.514 4.740 -0.000 0.000 0.191 392 N C 2.019 177.488 175.510 -0.068 0.000 1.023 392 N CA 1.648 54.681 53.050 -0.028 0.000 0.857 392 N CB -0.201 38.265 38.487 -0.034 0.000 1.013 392 N HN 0.468 nan 8.380 nan 0.000 0.426 393 R N 0.569 120.987 120.500 -0.136 0.000 2.115 393 R HA 0.009 4.348 4.340 -0.000 0.000 0.230 393 R C 2.291 178.522 176.300 -0.114 0.000 1.111 393 R CA 1.054 57.028 56.100 -0.210 0.000 0.976 393 R CB -0.129 29.881 30.300 -0.483 0.000 0.870 393 R HN 0.191 nan 8.270 nan 0.000 0.445 394 A N 0.500 123.261 122.820 -0.098 0.000 1.872 394 A HA -0.148 4.172 4.320 -0.000 0.000 0.214 394 A C 2.364 180.040 177.584 0.153 0.000 1.187 394 A CA 1.191 53.236 52.037 0.014 0.000 0.614 394 A CB -0.813 18.293 19.000 0.177 0.000 0.826 394 A HN 0.415 nan 8.150 nan 0.000 0.442 395 C N -0.408 118.922 119.300 0.051 0.000 2.393 395 C HA -0.151 4.309 4.460 -0.000 0.000 0.276 395 C C 2.650 177.559 174.990 -0.135 0.000 1.215 395 C CA 1.401 60.380 59.018 -0.065 0.000 1.743 395 C CB -1.399 26.301 27.740 -0.066 0.000 2.044 395 C HN 0.678 nan 8.230 nan 0.000 0.464 396 E N -0.379 119.780 120.200 -0.068 0.000 2.204 396 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 396 E C 1.755 178.331 176.600 -0.039 0.000 0.990 396 E CA 1.150 57.509 56.400 -0.069 0.000 0.821 396 E CB -0.256 29.424 29.700 -0.034 0.000 0.750 396 E HN 0.821 nan 8.360 nan 0.000 0.477 397 F N 2.215 122.096 119.950 -0.114 0.000 2.146 397 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 397 F C 1.973 177.709 175.800 -0.107 0.000 1.096 397 F CA 1.185 59.131 58.000 -0.089 0.000 1.275 397 F CB 0.056 39.012 39.000 -0.074 0.000 1.008 397 F HN -0.154 nan 8.300 nan 0.000 0.480 398 E N 1.275 121.153 120.200 -0.536 0.000 2.031 398 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 398 E C 2.465 178.741 176.600 -0.539 0.000 0.994 398 E CA 1.918 57.914 56.400 -0.672 0.000 0.800 398 E CB -0.750 28.573 29.700 -0.628 0.000 0.752 398 E HN 0.537 nan 8.360 nan 0.000 0.447 399 I N 1.132 121.402 120.570 -0.501 0.000 2.118 399 I HA -0.332 3.838 4.170 -0.000 0.000 0.241 399 I C 2.493 178.486 176.117 -0.205 0.000 1.070 399 I CA 1.566 62.686 61.300 -0.299 0.000 1.327 399 I CB -0.263 37.591 38.000 -0.243 0.000 1.034 399 I HN 0.044 nan 8.210 nan 0.000 0.405 400 K N 0.365 120.637 120.400 -0.214 0.000 2.103 400 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 400 K C 2.164 178.635 176.600 -0.215 0.000 1.052 400 K CA 1.156 57.343 56.287 -0.167 0.000 0.945 400 K CB -0.099 32.337 32.500 -0.106 0.000 0.722 400 K HN 0.299 nan 8.250 nan 0.000 0.443 401 I N 0.648 121.014 120.570 -0.340 0.000 2.493 401 I HA -0.223 3.947 4.170 -0.000 0.000 0.254 401 I C 1.298 177.228 176.117 -0.313 0.000 1.160 401 I CA 1.086 62.171 61.300 -0.357 0.000 1.445 401 I CB 0.203 37.892 38.000 -0.518 0.000 1.086 401 I HN 0.038 nan 8.210 nan 0.000 0.433 402 S N 0.369 115.914 115.700 -0.258 0.000 2.470 402 S HA 0.004 4.474 4.470 -0.000 0.000 0.225 402 S C 1.375 175.888 174.600 -0.144 0.000 1.006 402 S CA 0.659 58.749 58.200 -0.183 0.000 0.934 402 S CB -0.362 62.822 63.200 -0.027 0.000 0.778 402 S HN 0.580 nan 8.310 nan 0.000 0.517 403 N N 0.621 119.241 118.700 -0.133 0.000 2.336 403 N HA 0.129 4.869 4.740 -0.000 0.000 0.189 403 N C 1.513 176.954 175.510 -0.116 0.000 1.113 403 N CA 0.058 53.048 53.050 -0.099 0.000 0.858 403 N CB 0.167 38.609 38.487 -0.075 0.000 0.970 403 N HN 0.224 nan 8.380 nan 0.000 0.471 404 K N 1.002 121.305 120.400 -0.161 0.000 2.148 404 K HA -0.044 4.276 4.320 -0.000 0.000 0.204 404 K C 0.743 177.258 176.600 -0.141 0.000 1.050 404 K CA 0.727 56.923 56.287 -0.152 0.000 0.942 404 K CB 0.287 32.679 32.500 -0.181 0.000 0.724 404 K HN 0.069 nan 8.250 nan 0.000 0.446 405 V N -3.306 116.507 119.914 -0.168 0.000 3.182 405 V HA 0.366 4.486 4.120 -0.000 0.000 0.311 405 V C -0.258 175.788 176.094 -0.080 0.000 1.221 405 V CA -1.109 61.117 62.300 -0.123 0.000 1.060 405 V CB 1.364 33.107 31.823 -0.134 0.000 1.164 405 V HN -0.137 nan 8.190 nan 0.000 0.466 406 T N 3.577 118.102 114.554 -0.048 0.000 2.829 406 T HA 0.258 4.608 4.350 -0.000 0.000 0.293 406 T C 0.040 174.741 174.700 0.002 0.000 0.970 406 T CA 0.780 62.859 62.100 -0.034 0.000 1.168 406 T CB -0.673 68.167 68.868 -0.046 0.000 0.911 406 T HN 0.873 nan 8.240 nan 0.000 0.535 407 N N 4.042 122.750 118.700 0.013 0.000 2.722 407 N HA 0.299 5.039 4.740 -0.000 0.000 0.242 407 N C -2.271 173.271 175.510 0.055 0.000 1.398 407 N CA -1.820 51.289 53.050 0.098 0.000 0.755 407 N CB 1.160 39.742 38.487 0.158 0.000 1.268 407 N HN 0.153 nan 8.380 nan 0.000 0.522 408 P HA 0.045 nan 4.420 nan 0.000 0.217 408 P C 0.941 178.162 177.300 -0.131 0.000 1.150 408 P CA 0.925 63.938 63.100 -0.146 0.000 0.832 408 P CB 0.092 31.596 31.700 -0.326 0.000 0.787 409 F N -0.565 119.444 119.950 0.099 0.000 2.325 409 F HA 0.176 4.703 4.527 -0.000 0.000 0.299 409 F C 1.856 177.779 175.800 0.205 0.000 1.090 409 F CA 1.272 59.414 58.000 0.236 0.000 1.392 409 F CB -1.117 38.177 39.000 0.489 0.000 1.053 409 F HN -0.003 nan 8.300 nan 0.000 0.521 410 G N -0.281 108.700 108.800 0.300 0.000 2.198 410 G HA2 -0.370 3.589 3.960 -0.000 0.000 0.257 410 G HA3 -0.370 3.589 3.960 -0.000 0.000 0.257 410 G C 0.023 174.983 174.900 0.101 0.000 1.042 410 G CA -0.172 45.027 45.100 0.165 0.000 0.791 410 G HN 0.416 nan 8.290 nan 0.000 0.502 411 Y N 2.068 122.413 120.300 0.075 0.000 2.632 411 Y HA 0.393 4.943 4.550 -0.000 0.000 0.329 411 Y C -1.455 174.354 175.900 -0.152 0.000 1.174 411 Y CA -1.300 56.696 58.100 -0.173 0.000 1.469 411 Y CB 0.796 39.070 38.460 -0.310 0.000 1.242 411 Y HN 0.176 nan 8.280 nan 0.000 0.540 412 P HA 0.070 nan 4.420 nan 0.000 0.271 412 P C -0.858 176.299 177.300 -0.238 0.000 1.233 412 P CA 0.412 63.306 63.100 -0.344 0.000 0.764 412 P CB 0.568 32.003 31.700 -0.442 0.000 0.825 413 R N 2.692 123.103 120.500 -0.149 0.000 2.553 413 R HA 0.461 4.801 4.340 -0.000 0.000 0.263 413 R C 0.600 176.813 176.300 -0.145 0.000 1.066 413 R CA -0.587 55.387 56.100 -0.210 0.000 1.135 413 R CB 0.823 30.869 30.300 -0.423 0.000 1.148 413 R HN 0.564 nan 8.270 nan 0.000 0.558 414 Q N 0.059 119.804 119.800 -0.091 0.000 2.534 414 Q HA 0.273 4.613 4.340 -0.000 0.000 0.290 414 Q C -1.659 174.412 176.000 0.117 0.000 0.991 414 Q CA -0.974 54.866 55.803 0.061 0.000 0.783 414 Q CB 1.338 30.154 28.738 0.129 0.000 1.470 414 Q HN 0.473 nan 8.270 nan 0.000 0.406 415 Y N 1.783 122.136 120.300 0.088 0.000 2.404 415 Y HA 0.489 5.039 4.550 -0.000 0.000 0.344 415 Y C -0.666 175.133 175.900 -0.168 0.000 0.970 415 Y CA -1.011 57.074 58.100 -0.026 0.000 1.180 415 Y CB 0.876 39.363 38.460 0.045 0.000 1.138 415 Y HN 0.596 nan 8.280 nan 0.000 0.510 416 V N 3.786 123.448 119.914 -0.421 0.000 3.103 416 V HA 0.753 4.873 4.120 -0.000 0.000 0.318 416 V C -1.208 174.450 176.094 -0.726 0.000 1.114 416 V CA -1.090 60.598 62.300 -1.020 0.000 1.020 416 V CB 2.243 33.408 31.823 -1.096 0.000 1.085 416 V HN 0.669 nan 8.190 nan 0.000 0.446 417 K N 1.106 121.121 120.400 -0.641 0.000 2.550 417 K HA 0.585 4.904 4.320 -0.000 0.000 0.252 417 K C -0.254 176.300 176.600 -0.076 0.000 0.943 417 K CA -0.056 56.073 56.287 -0.264 0.000 0.806 417 K CB 1.911 34.305 32.500 -0.177 0.000 1.289 417 K HN 1.285 nan 8.250 nan 0.000 0.435 418 G N 1.385 110.145 108.800 -0.066 0.000 2.504 418 G HA2 0.265 4.225 3.960 -0.000 0.000 0.288 418 G HA3 0.265 4.225 3.960 -0.000 0.000 0.288 418 G C -0.605 174.315 174.900 0.033 0.000 1.182 418 G CA -0.589 44.520 45.100 0.015 0.000 0.894 418 G HN 0.393 nan 8.290 nan 0.000 0.521 419 V N 1.892 121.846 119.914 0.066 0.000 2.529 419 V HA 0.110 4.230 4.120 -0.000 0.000 0.292 419 V C 0.519 176.636 176.094 0.039 0.000 1.028 419 V CA 0.185 62.522 62.300 0.061 0.000 1.074 419 V CB 0.091 31.965 31.823 0.086 0.000 0.958 419 V HN 0.926 nan 8.190 nan 0.000 0.481 420 N N 3.567 122.283 118.700 0.027 0.000 2.782 420 N HA -0.166 4.574 4.740 -0.000 0.000 0.251 420 N C -0.245 175.265 175.510 0.001 0.000 1.101 420 N CA 1.549 54.609 53.050 0.017 0.000 0.764 420 N CB -1.191 37.312 38.487 0.026 0.000 1.122 420 N HN 0.946 nan 8.380 nan 0.000 0.561 421 E N -0.643 119.550 120.200 -0.012 0.000 2.336 421 E HA 0.573 4.923 4.350 -0.000 0.000 0.267 421 E C -0.253 176.319 176.600 -0.046 0.000 0.906 421 E CA -0.860 55.521 56.400 -0.031 0.000 0.781 421 E CB 1.296 30.968 29.700 -0.047 0.000 1.261 421 E HN 0.196 nan 8.360 nan 0.000 0.436 422 S N 0.778 116.448 115.700 -0.051 0.000 2.617 422 S HA 0.276 4.746 4.470 -0.000 0.000 0.269 422 S C 0.104 174.640 174.600 -0.106 0.000 1.292 422 S CA -0.945 57.217 58.200 -0.064 0.000 1.010 422 S CB 0.721 63.896 63.200 -0.042 0.000 0.944 422 S HN 0.318 nan 8.310 nan 0.000 0.536 423 K N 1.408 121.719 120.400 -0.148 0.000 2.469 423 K HA 0.152 4.472 4.320 -0.000 0.000 0.274 423 K C 0.287 176.826 176.600 -0.102 0.000 0.983 423 K CA 0.291 56.419 56.287 -0.265 0.000 0.974 423 K CB 0.228 32.457 32.500 -0.452 0.000 0.913 423 K HN 0.734 nan 8.250 nan 0.000 0.493 424 R N 0.732 121.172 120.500 -0.101 0.000 2.643 424 R HA 0.199 4.539 4.340 -0.000 0.000 0.269 424 R C -1.465 174.912 176.300 0.128 0.000 1.037 424 R CA -1.141 54.981 56.100 0.036 0.000 0.894 424 R CB 0.930 31.199 30.300 -0.052 0.000 1.238 424 R HN 0.612 nan 8.270 nan 0.000 0.459 425 D N 1.586 122.043 120.400 0.096 0.000 2.341 425 D HA 0.499 5.139 4.640 -0.000 0.000 0.245 425 D C -0.552 175.698 176.300 -0.084 0.000 1.106 425 D CA -0.345 53.657 54.000 0.004 0.000 0.905 425 D CB 1.679 42.404 40.800 -0.125 0.000 1.202 425 D HN 0.698 nan 8.370 nan 0.000 0.426 426 A N 1.008 123.754 122.820 -0.122 0.000 2.609 426 A HA 0.479 4.798 4.320 -0.000 0.000 0.291 426 A C -0.184 177.285 177.584 -0.192 0.000 1.096 426 A CA -0.894 51.077 52.037 -0.111 0.000 0.684 426 A CB 0.629 19.606 19.000 -0.039 0.000 1.282 426 A HN 0.382 nan 8.150 nan 0.000 0.412 427 F N 0.150 120.024 119.950 -0.127 0.000 2.098 427 F HA 0.201 4.728 4.527 -0.000 0.000 0.294 427 F C 0.513 176.104 175.800 -0.347 0.000 1.107 427 F CA 1.689 59.489 58.000 -0.332 0.000 1.234 427 F CB -0.121 38.472 39.000 -0.679 0.000 1.002 427 F HN 0.452 nan 8.300 nan 0.000 0.472 428 F N -1.060 119.067 119.950 0.295 0.000 2.541 428 F HA 0.460 4.987 4.527 -0.000 0.000 0.331 428 F C 0.162 176.045 175.800 0.138 0.000 1.057 428 F CA -2.227 55.910 58.000 0.227 0.000 0.975 428 F CB 0.469 39.569 39.000 0.167 0.000 1.246 428 F HN -0.356 nan 8.300 nan 0.000 0.484 429 V N 0.549 120.707 119.914 0.406 0.000 2.999 429 V HA 0.559 4.679 4.120 -0.000 0.000 0.307 429 V C 0.286 176.523 176.094 0.237 0.000 1.084 429 V CA -1.230 61.279 62.300 0.349 0.000 1.155 429 V CB -0.047 32.080 31.823 0.507 0.000 0.975 429 V HN 0.938 nan 8.190 nan 0.000 0.490 430 A N 2.547 125.452 122.820 0.142 0.000 2.440 430 A HA 0.346 4.666 4.320 -0.000 0.000 0.251 430 A C 0.846 178.535 177.584 0.175 0.000 1.089 430 A CA -0.026 52.041 52.037 0.049 0.000 0.779 430 A CB -0.432 18.529 19.000 -0.064 0.000 1.022 430 A HN 1.097 nan 8.150 nan 0.000 0.492 431 H N 1.374 120.282 119.070 -0.270 0.000 2.403 431 H HA -0.020 4.536 4.556 -0.000 0.000 0.298 431 H C 0.063 175.363 175.328 -0.048 0.000 1.059 431 H CA 0.706 56.476 56.048 -0.464 0.000 1.363 431 H CB 0.329 29.523 29.762 -0.945 0.000 1.410 431 H HN 0.673 nan 8.280 nan 0.000 0.528 432 N N 1.757 120.515 118.700 0.096 0.000 2.767 432 N HA 0.015 4.755 4.740 -0.000 0.000 0.238 432 N C -0.855 174.741 175.510 0.144 0.000 1.083 432 N CA -0.346 52.774 53.050 0.117 0.000 0.964 432 N CB 0.157 38.678 38.487 0.057 0.000 1.252 432 N HN 0.432 nan 8.380 nan 0.000 0.512 433 N N -0.453 118.360 118.700 0.189 0.000 3.184 433 N HA 0.305 5.045 4.740 -0.000 0.000 0.353 433 N C 0.196 175.793 175.510 0.146 0.000 1.441 433 N CA -0.619 52.541 53.050 0.184 0.000 0.723 433 N CB 0.387 39.009 38.487 0.225 0.000 1.547 433 N HN -0.083 nan 8.380 nan 0.000 0.624 434 E N -1.060 119.202 120.200 0.104 0.000 2.516 434 E HA -0.043 4.307 4.350 -0.000 0.000 0.199 434 E C 0.892 177.485 176.600 -0.011 0.000 1.069 434 E CA 0.653 57.090 56.400 0.061 0.000 0.876 434 E CB -0.231 29.502 29.700 0.054 0.000 0.843 434 E HN 0.605 nan 8.360 nan 0.000 0.530 435 S N -1.426 114.286 115.700 0.021 0.000 2.441 435 S HA 0.169 4.639 4.470 -0.000 0.000 0.224 435 S C 1.889 176.746 174.600 0.429 0.000 1.043 435 S CA 0.367 58.617 58.200 0.084 0.000 0.948 435 S CB 0.125 63.332 63.200 0.012 0.000 0.810 435 S HN 0.309 nan 8.310 nan 0.000 0.504 436 G N 0.793 109.801 108.800 0.346 0.000 2.157 436 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.248 436 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.248 436 G C 0.280 175.469 174.900 0.482 0.000 0.979 436 G CA 0.813 46.139 45.100 0.376 0.000 0.650 436 G HN 1.297 nan 8.290 nan 0.000 0.529 437 Y N -4.924 115.559 120.300 0.304 0.000 2.498 437 Y HA 0.392 4.941 4.550 -0.000 0.000 0.298 437 Y C 0.685 176.759 175.900 0.290 0.000 0.994 437 Y CA -0.643 57.630 58.100 0.289 0.000 0.958 437 Y CB 0.008 38.629 38.460 0.268 0.000 1.402 437 Y HN 0.270 nan 8.280 nan 0.000 0.581 438 W N 5.968 126.844 121.300 -0.706 0.000 2.358 438 W HA 0.473 5.133 4.660 -0.000 0.000 0.307 438 W C -0.914 175.481 176.519 -0.206 0.000 1.203 438 W CA -0.396 56.486 57.345 -0.772 0.000 1.279 438 W CB 0.496 29.385 29.460 -0.953 0.000 1.264 438 W HN 0.290 nan 8.180 nan 0.000 0.474 439 W N 6.800 127.601 121.300 -0.831 0.000 3.419 439 W HA 0.482 5.142 4.660 -0.000 0.000 0.298 439 W C -1.685 174.113 176.519 -1.201 0.000 1.260 439 W CA -1.111 55.683 57.345 -0.918 0.000 1.199 439 W CB 0.202 29.319 29.460 -0.571 0.000 1.349 439 W HN 0.578 nan 8.180 nan 0.000 0.557 440 Q N 1.264 120.602 119.800 -0.770 0.000 2.782 440 Q HA 0.578 4.918 4.340 -0.000 0.000 0.308 440 Q C -0.056 175.807 176.000 -0.229 0.000 0.883 440 Q CA -1.034 54.319 55.803 -0.751 0.000 0.755 440 Q CB 1.355 29.557 28.738 -0.894 0.000 1.454 440 Q HN 0.702 nan 8.270 nan 0.000 0.452 441 G N 0.166 108.867 108.800 -0.165 0.000 2.562 441 G HA2 0.165 4.125 3.960 -0.000 0.000 0.233 441 G HA3 0.165 4.125 3.960 -0.000 0.000 0.233 441 G C -0.403 174.632 174.900 0.226 0.000 1.266 441 G CA -0.147 45.018 45.100 0.107 0.000 0.852 441 G HN 0.580 nan 8.290 nan 0.000 0.581 442 E N 1.046 121.445 120.200 0.331 0.000 2.815 442 E HA 0.070 4.420 4.350 -0.000 0.000 0.211 442 E C 0.895 177.694 176.600 0.332 0.000 1.004 442 E CA -0.522 56.105 56.400 0.378 0.000 1.173 442 E CB 0.376 30.310 29.700 0.390 0.000 1.163 442 E HN 0.373 nan 8.360 nan 0.000 0.449 443 N N 1.308 120.170 118.700 0.272 0.000 2.223 443 N HA -0.159 4.581 4.740 -0.000 0.000 0.185 443 N C 1.732 177.474 175.510 0.386 0.000 1.016 443 N CA 1.211 54.412 53.050 0.251 0.000 0.863 443 N CB -0.031 38.499 38.487 0.072 0.000 0.983 443 N HN 0.286 nan 8.380 nan 0.000 0.429 444 A N 1.401 124.624 122.820 0.671 0.000 1.898 444 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 444 A C 2.256 179.901 177.584 0.102 0.000 1.181 444 A CA 1.357 53.706 52.037 0.520 0.000 0.620 444 A CB -0.534 18.808 19.000 0.569 0.000 0.819 444 A HN 0.278 nan 8.150 nan 0.000 0.442 445 R N -0.709 119.870 120.500 0.132 0.000 2.096 445 R HA -0.181 4.159 4.340 -0.000 0.000 0.240 445 R C 1.830 178.054 176.300 -0.126 0.000 1.139 445 R CA 1.972 58.052 56.100 -0.034 0.000 0.952 445 R CB -0.476 29.883 30.300 0.099 0.000 0.854 445 R HN 0.371 nan 8.270 nan 0.000 0.436 446 L N 0.324 121.511 121.223 -0.060 0.000 2.083 446 L HA -0.036 4.304 4.340 -0.000 0.000 0.209 446 L C 2.533 179.371 176.870 -0.053 0.000 1.083 446 L CA 2.123 56.884 54.840 -0.131 0.000 0.752 446 L CB -0.987 41.005 42.059 -0.111 0.000 0.899 446 L HN 0.443 nan 8.230 nan 0.000 0.433 447 G N -1.260 107.583 108.800 0.073 0.000 2.418 447 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 447 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 447 G C 1.762 176.705 174.900 0.073 0.000 1.158 447 G CA 1.095 46.305 45.100 0.183 0.000 0.771 447 G HN 0.516 nan 8.290 nan 0.000 0.545 448 S N 0.429 115.930 115.700 -0.332 0.000 2.383 448 S HA 0.053 4.523 4.470 -0.000 0.000 0.227 448 S C 2.350 176.777 174.600 -0.289 0.000 1.026 448 S CA 0.973 58.721 58.200 -0.752 0.000 0.981 448 S CB -0.351 61.857 63.200 -1.653 0.000 0.818 448 S HN 0.270 nan 8.310 nan 0.000 0.472 449 L N 1.272 122.389 121.223 -0.176 0.000 2.109 449 L HA 0.066 4.406 4.340 -0.000 0.000 0.207 449 L C 3.187 180.092 176.870 0.059 0.000 1.086 449 L CA 1.020 55.863 54.840 0.006 0.000 0.760 449 L CB -0.771 41.302 42.059 0.024 0.000 0.910 449 L HN 0.462 nan 8.230 nan 0.000 0.437 450 A N -0.296 122.497 122.820 -0.044 0.000 1.902 450 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 450 A C 2.368 179.996 177.584 0.075 0.000 1.181 450 A CA 2.339 54.346 52.037 -0.050 0.000 0.623 450 A CB -0.925 18.091 19.000 0.026 0.000 0.818 450 A HN 0.371 nan 8.150 nan 0.000 0.443 451 T N -0.029 114.634 114.554 0.183 0.000 2.652 451 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 451 T C 1.951 176.781 174.700 0.215 0.000 1.039 451 T CA 1.730 64.000 62.100 0.284 0.000 1.153 451 T CB -0.395 68.693 68.868 0.368 0.000 0.863 451 T HN 0.536 nan 8.240 nan 0.000 0.428 452 M N 1.414 121.091 119.600 0.128 0.000 2.110 452 M HA -0.236 4.244 4.480 -0.000 0.000 0.257 452 M C 2.472 178.822 176.300 0.084 0.000 1.071 452 M CA 2.439 57.799 55.300 0.101 0.000 1.096 452 M CB -0.524 32.114 32.600 0.063 0.000 1.300 452 M HN 0.302 nan 8.290 nan 0.000 0.411 453 A N -0.811 122.033 122.820 0.041 0.000 1.978 453 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 453 A C 1.660 179.162 177.584 -0.137 0.000 1.170 453 A CA 1.664 53.665 52.037 -0.060 0.000 0.636 453 A CB -1.101 17.886 19.000 -0.022 0.000 0.810 453 A HN 0.740 nan 8.150 nan 0.000 0.448 454 Y N -0.657 119.651 120.300 0.014 0.000 2.314 454 Y HA 0.123 4.673 4.550 -0.000 0.000 0.294 454 Y C 2.043 177.951 175.900 0.013 0.000 1.119 454 Y CA 0.784 58.852 58.100 -0.053 0.000 1.179 454 Y CB -0.180 38.273 38.460 -0.011 0.000 1.025 454 Y HN 0.156 nan 8.280 nan 0.000 0.541 455 L N -1.366 119.988 121.223 0.219 0.000 2.446 455 L HA 0.082 4.422 4.340 -0.000 0.000 0.219 455 L C 2.209 179.180 176.870 0.169 0.000 1.116 455 L CA 0.714 55.668 54.840 0.190 0.000 0.844 455 L CB -0.403 41.787 42.059 0.219 0.000 0.970 455 L HN 0.125 nan 8.230 nan 0.000 0.457 456 A N -0.769 122.140 122.820 0.147 0.000 2.169 456 A HA -0.088 4.232 4.320 -0.000 0.000 0.212 456 A C 2.094 179.735 177.584 0.095 0.000 1.153 456 A CA 0.383 52.520 52.037 0.166 0.000 0.756 456 A CB -0.116 18.957 19.000 0.122 0.000 0.813 456 A HN 0.370 nan 8.150 nan 0.000 0.471 457 Q N -0.261 119.570 119.800 0.050 0.000 2.135 457 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 457 Q C -0.657 175.333 176.000 -0.016 0.000 0.981 457 Q CA 1.780 57.600 55.803 0.027 0.000 0.856 457 Q CB -0.934 27.835 28.738 0.052 0.000 0.902 457 Q HN 0.520 nan 8.270 nan 0.000 0.425 458 P HA -0.123 nan 4.420 nan 0.000 0.221 458 P C -0.030 177.114 177.300 -0.260 0.000 1.150 458 P CA 1.289 64.253 63.100 -0.227 0.000 0.800 458 P CB 0.005 31.478 31.700 -0.378 0.000 0.787 459 H N -1.889 117.208 119.070 0.045 0.000 2.526 459 H HA 0.156 4.712 4.556 -0.000 0.000 0.274 459 H C 0.444 175.786 175.328 0.024 0.000 0.999 459 H CA -0.380 55.688 56.048 0.033 0.000 1.157 459 H CB -0.089 29.697 29.762 0.039 0.000 1.407 459 H HN 0.055 nan 8.280 nan 0.000 0.568 460 I N 0.923 121.541 120.570 0.080 0.000 2.359 460 I HA 0.190 4.360 4.170 -0.000 0.000 0.294 460 I C 1.188 177.324 176.117 0.032 0.000 0.987 460 I CA -0.265 61.064 61.300 0.049 0.000 1.225 460 I CB 1.350 39.367 38.000 0.028 0.000 1.366 460 I HN 0.200 nan 8.210 nan 0.000 0.466 461 A N 4.925 127.760 122.820 0.025 0.000 1.840 461 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 461 A C 1.382 178.973 177.584 0.013 0.000 1.198 461 A CA 0.804 52.852 52.037 0.018 0.000 0.608 461 A CB -0.357 18.650 19.000 0.012 0.000 0.839 461 A HN 0.626 nan 8.150 nan 0.000 0.443 462 S N -0.503 115.201 115.700 0.007 0.000 2.531 462 S HA 0.124 4.594 4.470 -0.000 0.000 0.279 462 S C 0.964 175.570 174.600 0.010 0.000 1.305 462 S CA -0.202 58.002 58.200 0.006 0.000 1.058 462 S CB 0.870 64.069 63.200 -0.001 0.000 0.899 462 S HN 0.518 nan 8.310 nan 0.000 0.493 463 Q N 2.502 122.310 119.800 0.013 0.000 2.230 463 Q HA -0.136 4.203 4.340 -0.000 0.000 0.202 463 Q C 1.753 177.764 176.000 0.018 0.000 0.963 463 Q CA 1.532 57.348 55.803 0.020 0.000 0.866 463 Q CB -0.047 28.703 28.738 0.021 0.000 0.931 463 Q HN 0.893 nan 8.270 nan 0.000 0.452 464 E N 0.722 120.929 120.200 0.010 0.000 2.049 464 E HA -0.214 4.136 4.350 -0.000 0.000 0.198 464 E C 1.621 178.221 176.600 -0.000 0.000 1.007 464 E CA 1.925 58.329 56.400 0.006 0.000 0.809 464 E CB -0.275 29.425 29.700 0.001 0.000 0.749 464 E HN 0.503 nan 8.360 nan 0.000 0.450 465 I N 0.206 120.772 120.570 -0.007 0.000 2.500 465 I HA -0.195 3.975 4.170 -0.000 0.000 0.252 465 I C 2.602 178.707 176.117 -0.020 0.000 1.142 465 I CA 0.799 62.086 61.300 -0.021 0.000 1.451 465 I CB -0.369 37.615 38.000 -0.027 0.000 1.093 465 I HN 0.203 nan 8.210 nan 0.000 0.430 466 Q N 0.718 120.518 119.800 -0.000 0.000 2.030 466 Q HA -0.296 4.044 4.340 -0.000 0.000 0.204 466 Q C 2.204 178.214 176.000 0.017 0.000 0.986 466 Q CA 1.808 57.618 55.803 0.012 0.000 0.843 466 Q CB -0.174 28.588 28.738 0.041 0.000 0.904 466 Q HN 0.558 nan 8.270 nan 0.000 0.420 467 Q N -0.062 119.756 119.800 0.030 0.000 2.297 467 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 467 Q C 1.896 177.910 176.000 0.023 0.000 0.962 467 Q CA 0.772 56.600 55.803 0.041 0.000 0.879 467 Q CB 0.176 28.940 28.738 0.043 0.000 0.947 467 Q HN 0.392 nan 8.270 nan 0.000 0.462 468 Q N -0.035 119.768 119.800 0.004 0.000 2.172 468 Q HA -0.088 4.251 4.340 -0.000 0.000 0.200 468 Q C 1.907 177.911 176.000 0.006 0.000 0.964 468 Q CA 0.828 56.630 55.803 -0.000 0.000 0.855 468 Q CB 0.101 28.823 28.738 -0.027 0.000 0.918 468 Q HN 0.403 nan 8.270 nan 0.000 0.444 469 L N -0.215 120.990 121.223 -0.032 0.000 2.109 469 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 469 L C 2.400 179.219 176.870 -0.086 0.000 1.086 469 L CA 0.668 55.476 54.840 -0.054 0.000 0.760 469 L CB -0.226 41.769 42.059 -0.107 0.000 0.910 469 L HN 0.104 nan 8.230 nan 0.000 0.437 470 S N -0.483 115.168 115.700 -0.082 0.000 2.383 470 S HA -0.161 4.308 4.470 -0.000 0.000 0.229 470 S C 2.015 176.615 174.600 -0.001 0.000 1.030 470 S CA 1.240 59.407 58.200 -0.056 0.000 1.002 470 S CB -0.177 63.081 63.200 0.097 0.000 0.829 470 S HN 0.161 nan 8.310 nan 0.000 0.467 471 V N 1.103 121.035 119.914 0.030 0.000 2.307 471 V HA -0.138 3.982 4.120 -0.000 0.000 0.245 471 V C 1.850 177.971 176.094 0.046 0.000 1.045 471 V CA 1.780 64.106 62.300 0.043 0.000 1.024 471 V CB -0.721 31.129 31.823 0.045 0.000 0.651 471 V HN 0.509 nan 8.190 nan 0.000 0.449 472 F N 1.543 121.432 119.950 -0.101 0.000 2.091 472 F HA -0.259 4.268 4.527 -0.000 0.000 0.299 472 F C 2.252 177.967 175.800 -0.142 0.000 1.103 472 F CA 1.829 59.757 58.000 -0.120 0.000 1.228 472 F CB -0.606 38.306 39.000 -0.147 0.000 0.984 472 F HN 0.080 nan 8.300 nan 0.000 0.477 473 A N -0.345 122.361 122.820 -0.191 0.000 1.855 473 A HA -0.234 4.086 4.320 -0.000 0.000 0.215 473 A C 2.101 179.588 177.584 -0.163 0.000 1.191 473 A CA 1.672 53.499 52.037 -0.350 0.000 0.613 473 A CB -1.133 17.354 19.000 -0.856 0.000 0.829 473 A HN 0.518 nan 8.150 nan 0.000 0.442 474 Q N 0.181 119.957 119.800 -0.039 0.000 2.096 474 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 474 Q C 1.453 177.482 176.000 0.049 0.000 0.982 474 Q CA 2.197 58.045 55.803 0.075 0.000 0.850 474 Q CB -0.414 28.393 28.738 0.115 0.000 0.901 474 Q HN 0.606 nan 8.270 nan 0.000 0.422 475 D N -0.509 119.889 120.400 -0.003 0.000 2.133 475 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 475 D C 1.573 177.888 176.300 0.026 0.000 0.997 475 D CA 1.636 55.652 54.000 0.027 0.000 0.840 475 D CB -0.333 40.444 40.800 -0.038 0.000 0.947 475 D HN 0.442 nan 8.370 nan 0.000 0.452 476 A N 0.310 123.043 122.820 -0.146 0.000 1.897 476 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 476 A C 2.446 180.070 177.584 0.067 0.000 1.181 476 A CA 0.688 52.635 52.037 -0.150 0.000 0.620 476 A CB -0.637 18.157 19.000 -0.343 0.000 0.821 476 A HN 0.191 nan 8.150 nan 0.000 0.443 477 L N -0.321 120.954 121.223 0.086 0.000 2.027 477 L HA -0.208 4.132 4.340 -0.000 0.000 0.206 477 L C 2.372 179.342 176.870 0.167 0.000 1.074 477 L CA 1.286 56.225 54.840 0.165 0.000 0.745 477 L CB -0.742 41.408 42.059 0.152 0.000 0.898 477 L HN 0.345 nan 8.230 nan 0.000 0.433 478 N N -0.313 118.469 118.700 0.137 0.000 2.060 478 N HA -0.287 4.453 4.740 -0.000 0.000 0.195 478 N C 1.462 177.072 175.510 0.167 0.000 1.028 478 N CA 1.500 54.622 53.050 0.121 0.000 0.861 478 N CB -0.520 38.068 38.487 0.168 0.000 1.029 478 N HN 0.479 nan 8.380 nan 0.000 0.428 479 W N 1.790 123.130 121.300 0.067 0.000 2.335 479 W HA -0.104 4.556 4.660 -0.000 0.000 0.311 479 W C 1.860 178.382 176.519 0.005 0.000 1.213 479 W CA 0.949 58.334 57.345 0.067 0.000 1.274 479 W CB -0.523 29.015 29.460 0.130 0.000 1.148 479 W HN 0.038 nan 8.180 nan 0.000 0.498 480 I N 1.124 121.877 120.570 0.304 0.000 2.226 480 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 480 I C 1.703 177.794 176.117 -0.042 0.000 1.100 480 I CA 1.574 62.970 61.300 0.161 0.000 1.374 480 I CB -0.678 37.449 38.000 0.212 0.000 1.057 480 I HN -0.145 nan 8.210 nan 0.000 0.413 481 V N -1.838 118.045 119.914 -0.052 0.000 2.955 481 V HA 0.681 4.801 4.120 -0.000 0.000 0.379 481 V C 0.822 176.708 176.094 -0.348 0.000 1.288 481 V CA 0.229 62.439 62.300 -0.150 0.000 1.358 481 V CB -0.436 31.359 31.823 -0.047 0.000 1.406 481 V HN 0.530 nan 8.190 nan 0.000 0.569 482 G N 0.982 109.478 108.800 -0.506 0.000 2.391 482 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.204 482 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.204 482 G C -0.085 174.575 174.900 -0.400 0.000 1.012 482 G CA -0.064 44.472 45.100 -0.940 0.000 0.651 482 G HN 0.691 nan 8.290 nan 0.000 0.494 483 L N 3.227 124.359 121.223 -0.152 0.000 2.415 483 L HA 0.632 4.971 4.340 -0.000 0.000 0.269 483 L C 0.107 176.955 176.870 -0.036 0.000 1.244 483 L CA -0.222 54.659 54.840 0.069 0.000 1.113 483 L CB -1.497 40.685 42.059 0.206 0.000 1.352 483 L HN 0.669 nan 8.230 nan 0.000 0.433 484 N N 1.840 120.362 118.700 -0.296 0.000 2.823 484 N HA 0.513 5.253 4.740 -0.000 0.000 0.251 484 N C -2.726 172.404 175.510 -0.633 0.000 1.392 484 N CA -1.485 50.950 53.050 -1.025 0.000 0.864 484 N CB 0.809 38.224 38.487 -1.786 0.000 1.481 484 N HN -0.176 nan 8.380 nan 0.000 0.508 485 P HA -0.085 nan 4.420 nan 0.000 0.227 485 P C -0.246 176.698 177.300 -0.592 0.000 1.145 485 P CA 1.259 64.067 63.100 -0.488 0.000 0.769 485 P CB -0.138 31.159 31.700 -0.670 0.000 0.769 486 Y N -2.281 117.788 120.300 -0.385 0.000 2.467 486 Y HA 0.159 4.708 4.550 -0.000 0.000 0.250 486 Y C 0.745 176.516 175.900 -0.215 0.000 1.155 486 Y CA -0.328 57.590 58.100 -0.303 0.000 1.249 486 Y CB -0.177 38.029 38.460 -0.424 0.000 1.146 486 Y HN -0.139 nan 8.280 nan 0.000 0.524 487 D N 1.076 121.432 120.400 -0.074 0.000 2.708 487 D HA -0.255 4.385 4.640 -0.000 0.000 0.236 487 D C -0.250 176.119 176.300 0.114 0.000 1.146 487 D CA 0.820 54.863 54.000 0.072 0.000 0.662 487 D CB -0.899 39.958 40.800 0.095 0.000 1.059 487 D HN 0.392 nan 8.370 nan 0.000 0.428 488 M N 0.818 120.337 119.600 -0.135 0.000 2.142 488 M HA 0.311 4.791 4.480 -0.000 0.000 0.299 488 M C -0.763 175.323 176.300 -0.357 0.000 0.960 488 M CA -0.845 54.347 55.300 -0.180 0.000 0.920 488 M CB 1.412 33.817 32.600 -0.326 0.000 1.541 488 M HN 0.243 nan 8.290 nan 0.000 0.429 489 C N 6.259 125.394 119.300 -0.276 0.000 2.576 489 C HA 0.313 4.773 4.460 -0.000 0.000 0.401 489 C C 1.185 176.077 174.990 -0.164 0.000 1.314 489 C CA -0.206 58.657 59.018 -0.258 0.000 1.855 489 C CB -0.341 27.371 27.740 -0.046 0.000 2.537 489 C HN 1.135 nan 8.230 nan 0.000 0.578 490 M N 4.277 123.769 119.600 -0.182 0.000 2.441 490 M HA 0.155 4.635 4.480 -0.000 0.000 0.244 490 M C 0.264 176.483 176.300 -0.134 0.000 1.122 490 M CA -0.016 55.200 55.300 -0.140 0.000 1.041 490 M CB 0.020 32.546 32.600 -0.123 0.000 1.438 490 M HN 0.605 nan 8.290 nan 0.000 0.484 491 L N 1.700 122.818 121.223 -0.174 0.000 2.325 491 L HA 0.225 4.565 4.340 -0.000 0.000 0.284 491 L C -0.414 176.422 176.870 -0.056 0.000 1.089 491 L CA 0.032 54.749 54.840 -0.204 0.000 0.836 491 L CB 0.156 42.015 42.059 -0.334 0.000 1.184 491 L HN -0.038 nan 8.230 nan 0.000 0.444 492 D N 3.924 124.287 120.400 -0.062 0.000 2.417 492 D HA 0.458 5.098 4.640 -0.000 0.000 0.250 492 D C 1.101 177.416 176.300 0.024 0.000 1.166 492 D CA 1.454 55.451 54.000 -0.005 0.000 0.881 492 D CB 0.683 41.480 40.800 -0.006 0.000 1.164 492 D HN 0.897 nan 8.370 nan 0.000 0.467 493 G N 2.800 111.599 108.800 -0.001 0.000 2.176 493 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.232 493 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.232 493 G C 0.018 174.747 174.900 -0.286 0.000 0.986 493 G CA -0.164 44.873 45.100 -0.105 0.000 0.643 493 G HN 0.665 nan 8.290 nan 0.000 0.522 494 H N -0.486 118.594 119.070 0.017 0.000 2.821 494 H HA 0.533 5.088 4.556 -0.000 0.000 0.373 494 H C 1.029 176.397 175.328 0.068 0.000 1.165 494 H CA 0.260 56.332 56.048 0.039 0.000 1.154 494 H CB 1.417 31.197 29.762 0.029 0.000 1.765 494 H HN 1.161 nan 8.280 nan 0.000 0.549 495 G N 2.076 111.016 108.800 0.234 0.000 2.614 495 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.303 495 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.303 495 G C -0.001 174.999 174.900 0.168 0.000 1.270 495 G CA 0.858 46.106 45.100 0.246 0.000 0.988 495 G HN 0.921 nan 8.290 nan 0.000 0.551 496 R N -0.716 119.942 120.500 0.264 0.000 2.831 496 R HA 0.618 4.958 4.340 -0.000 0.000 0.266 496 R C 0.269 176.653 176.300 0.140 0.000 1.051 496 R CA -0.273 55.891 56.100 0.108 0.000 0.943 496 R CB 0.522 30.806 30.300 -0.027 0.000 1.228 496 R HN 0.903 nan 8.270 nan 0.000 0.467 497 N N 0.239 118.977 118.700 0.064 0.000 2.735 497 N HA -0.151 4.589 4.740 -0.000 0.000 0.248 497 N C -1.049 174.472 175.510 0.019 0.000 1.083 497 N CA 0.854 53.927 53.050 0.039 0.000 0.703 497 N CB -1.156 37.350 38.487 0.032 0.000 1.005 497 N HN 0.617 nan 8.380 nan 0.000 0.550 498 N N 1.943 120.664 118.700 0.034 0.000 2.365 498 N HA 0.070 4.809 4.740 -0.000 0.000 0.265 498 N C -1.940 173.609 175.510 0.064 0.000 1.288 498 N CA -0.049 53.022 53.050 0.034 0.000 0.869 498 N CB 0.284 38.797 38.487 0.044 0.000 1.071 498 N HN 0.291 nan 8.380 nan 0.000 0.480 499 P HA 0.230 nan 4.420 nan 0.000 0.279 499 P C -0.333 177.077 177.300 0.183 0.000 1.239 499 P CA -0.302 62.906 63.100 0.180 0.000 0.789 499 P CB 1.149 33.057 31.700 0.345 0.000 0.933 500 D N 0.148 120.654 120.400 0.177 0.000 2.387 500 D HA 0.144 4.784 4.640 -0.000 0.000 0.255 500 D C 0.203 176.649 176.300 0.243 0.000 1.081 500 D CA -0.440 53.678 54.000 0.198 0.000 0.994 500 D CB 1.077 41.973 40.800 0.160 0.000 1.127 500 D HN 0.263 nan 8.370 nan 0.000 0.513 501 Y N 0.899 121.266 120.300 0.113 0.000 2.504 501 Y HA 0.374 4.924 4.550 -0.000 0.000 0.235 501 Y C 0.092 176.037 175.900 0.075 0.000 1.024 501 Y CA 0.891 59.055 58.100 0.107 0.000 1.161 501 Y CB -0.033 38.516 38.460 0.148 0.000 1.045 501 Y HN 0.276 nan 8.280 nan 0.000 0.480 502 L N 2.591 123.578 121.223 -0.394 0.000 2.529 502 L HA 0.298 4.638 4.340 -0.000 0.000 0.246 502 L C -2.048 174.562 176.870 -0.432 0.000 1.394 502 L CA -1.432 53.158 54.840 -0.416 0.000 0.906 502 L CB 1.701 43.517 42.059 -0.404 0.000 1.170 502 L HN 0.192 nan 8.230 nan 0.000 0.501 503 P HA -0.222 nan 4.420 nan 0.000 0.220 503 P C 1.218 178.089 177.300 -0.715 0.000 1.148 503 P CA 1.082 63.666 63.100 -0.861 0.000 0.803 503 P CB 0.231 31.729 31.700 -0.337 0.000 0.782 504 Q N -0.504 118.941 119.800 -0.591 0.000 2.364 504 Q HA -0.153 4.187 4.340 -0.000 0.000 0.207 504 Q C 0.567 176.107 176.000 -0.765 0.000 0.970 504 Q CA 1.446 56.866 55.803 -0.638 0.000 0.888 504 Q CB -0.891 27.416 28.738 -0.718 0.000 0.951 504 Q HN 0.338 nan 8.270 nan 0.000 0.469 505 Y N -0.319 119.700 120.300 -0.468 0.000 2.612 505 Y HA 0.479 5.029 4.550 -0.000 0.000 0.250 505 Y C 1.303 176.582 175.900 -1.034 0.000 1.175 505 Y CA -0.431 57.291 58.100 -0.629 0.000 1.205 505 Y CB 0.714 38.837 38.460 -0.562 0.000 1.201 505 Y HN 0.225 nan 8.280 nan 0.000 0.532 506 G N 0.251 108.585 108.800 -0.776 0.000 2.147 506 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.244 506 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.244 506 G C -0.477 174.077 174.900 -0.577 0.000 1.005 506 G CA -0.208 44.504 45.100 -0.646 0.000 0.713 506 G HN 0.166 nan 8.290 nan 0.000 0.515 507 F N 0.573 120.341 119.950 -0.303 0.000 2.291 507 F HA 0.660 5.187 4.527 -0.000 0.000 0.368 507 F C 0.366 176.118 175.800 -0.080 0.000 1.085 507 F CA -2.014 55.965 58.000 -0.035 0.000 1.165 507 F CB 0.037 39.116 39.000 0.132 0.000 1.429 507 F HN 0.002 nan 8.300 nan 0.000 0.503 508 F N 1.078 121.210 119.950 0.304 0.000 2.397 508 F HA 0.391 4.918 4.527 -0.000 0.000 0.331 508 F C 0.810 176.767 175.800 0.261 0.000 1.090 508 F CA -0.895 57.241 58.000 0.227 0.000 1.065 508 F CB 0.709 39.796 39.000 0.145 0.000 1.184 508 F HN 0.211 nan 8.300 nan 0.000 0.499 509 N N 1.208 120.160 118.700 0.420 0.000 2.508 509 N HA 0.441 5.180 4.740 -0.000 0.000 0.264 509 N C -0.554 175.120 175.510 0.274 0.000 1.216 509 N CA -0.199 53.040 53.050 0.314 0.000 0.943 509 N CB 1.153 39.785 38.487 0.241 0.000 1.113 509 N HN 0.685 nan 8.380 nan 0.000 0.447 510 A N 2.008 124.980 122.820 0.254 0.000 2.305 510 A HA 0.348 4.668 4.320 -0.000 0.000 0.322 510 A C 0.013 177.687 177.584 0.150 0.000 1.187 510 A CA -0.772 51.407 52.037 0.237 0.000 0.825 510 A CB 0.554 19.760 19.000 0.344 0.000 1.164 510 A HN 0.377 nan 8.150 nan 0.000 0.498 511 K N 0.829 121.298 120.400 0.116 0.000 2.550 511 K HA 0.179 4.499 4.320 -0.000 0.000 0.280 511 K C 1.296 177.951 176.600 0.091 0.000 0.987 511 K CA 1.448 57.780 56.287 0.075 0.000 1.048 511 K CB 0.001 32.538 32.500 0.061 0.000 0.879 511 K HN 1.736 nan 8.250 nan 0.000 0.491 512 G N 1.381 110.198 108.800 0.029 0.000 2.199 512 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.254 512 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.254 512 G C 0.529 175.181 174.900 -0.413 0.000 0.982 512 G CA 0.169 45.262 45.100 -0.012 0.000 0.632 512 G HN 0.884 nan 8.290 nan 0.000 0.529 513 G N -0.973 107.419 108.800 -0.679 0.000 2.437 513 G HA2 0.678 4.638 3.960 -0.000 0.000 0.319 513 G HA3 0.678 4.638 3.960 -0.000 0.000 0.319 513 G C -0.508 174.053 174.900 -0.565 0.000 1.158 513 G CA -0.029 44.282 45.100 -1.314 0.000 0.899 513 G HN 0.933 nan 8.290 nan 0.000 0.502 514 V N 0.897 120.548 119.914 -0.439 0.000 2.417 514 V HA 0.304 4.423 4.120 -0.000 0.000 0.291 514 V C 0.938 177.033 176.094 0.001 0.000 1.024 514 V CA -1.064 61.136 62.300 -0.168 0.000 0.861 514 V CB 0.607 32.372 31.823 -0.097 0.000 0.985 514 V HN 1.135 nan 8.190 nan 0.000 0.436 515 C N 4.091 123.388 119.300 -0.005 0.000 2.560 515 C HA 0.383 4.843 4.460 -0.000 0.000 0.334 515 C C 1.920 176.808 174.990 -0.170 0.000 1.404 515 C CA -0.454 58.599 59.018 0.059 0.000 2.410 515 C CB -0.007 27.809 27.740 0.127 0.000 2.268 515 C HN 0.825 nan 8.230 nan 0.000 0.673 516 N N 1.055 119.707 118.700 -0.081 0.000 2.013 516 N HA 0.289 5.029 4.740 -0.000 0.000 0.195 516 N C 1.115 176.581 175.510 -0.074 0.000 1.051 516 N CA 2.346 55.276 53.050 -0.199 0.000 0.851 516 N CB -1.013 37.466 38.487 -0.012 0.000 1.044 516 N HN 1.332 nan 8.380 nan 0.000 0.422 517 G N -0.137 108.786 108.800 0.204 0.000 2.337 517 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.197 517 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.197 517 G C -1.002 174.222 174.900 0.540 0.000 1.238 517 G CA -0.418 44.910 45.100 0.381 0.000 1.119 517 G HN 0.139 nan 8.290 nan 0.000 0.514 518 I N 2.054 122.906 120.570 0.469 0.000 2.428 518 I HA 0.530 4.700 4.170 -0.000 0.000 0.289 518 I C 1.222 177.371 176.117 0.054 0.000 1.019 518 I CA 0.105 61.607 61.300 0.338 0.000 1.351 518 I CB 1.636 39.827 38.000 0.318 0.000 1.412 518 I HN 0.889 nan 8.210 nan 0.000 0.513 519 T N 1.655 116.097 114.554 -0.186 0.000 2.905 519 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 519 T C 0.262 174.222 174.700 -1.233 0.000 1.031 519 T CA -0.851 60.951 62.100 -0.497 0.000 1.002 519 T CB 1.334 70.340 68.868 0.230 0.000 1.200 519 T HN 0.661 nan 8.240 nan 0.000 0.560 520 G N -0.741 107.600 108.800 -0.766 0.000 2.544 520 G HA2 0.477 4.437 3.960 -0.000 0.000 0.242 520 G HA3 0.477 4.437 3.960 -0.000 0.000 0.242 520 G C 0.574 175.396 174.900 -0.131 0.000 1.247 520 G CA -0.377 44.535 45.100 -0.312 0.000 0.840 520 G HN 0.987 nan 8.290 nan 0.000 0.578 521 G N -0.542 108.215 108.800 -0.071 0.000 2.554 521 G HA2 0.234 4.194 3.960 -0.000 0.000 0.238 521 G HA3 0.234 4.194 3.960 -0.000 0.000 0.238 521 G C 0.568 175.526 174.900 0.096 0.000 1.259 521 G CA -0.341 44.784 45.100 0.042 0.000 0.843 521 G HN 0.476 nan 8.290 nan 0.000 0.582 522 F N 0.465 120.486 119.950 0.119 0.000 2.146 522 F HA -0.008 4.519 4.527 -0.000 0.000 0.298 522 F C 2.483 178.341 175.800 0.096 0.000 1.096 522 F CA 1.953 60.084 58.000 0.219 0.000 1.275 522 F CB 0.341 39.527 39.000 0.310 0.000 1.008 522 F HN 0.531 nan 8.300 nan 0.000 0.480 523 E N -0.923 119.397 120.200 0.199 0.000 2.201 523 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 523 E C -0.181 176.401 176.600 -0.031 0.000 0.957 523 E CA 0.531 56.980 56.400 0.082 0.000 0.858 523 E CB 0.158 29.936 29.700 0.131 0.000 0.816 523 E HN 0.111 nan 8.360 nan 0.000 0.475 524 D N -0.055 120.325 120.400 -0.034 0.000 2.481 524 D HA 0.117 4.756 4.640 -0.000 0.000 0.246 524 D C -0.126 176.111 176.300 -0.106 0.000 1.109 524 D CA -0.156 53.810 54.000 -0.057 0.000 0.845 524 D CB 1.117 41.920 40.800 0.005 0.000 1.160 524 D HN -0.111 nan 8.370 nan 0.000 0.534 525 E N 1.745 121.825 120.200 -0.200 0.000 2.427 525 E HA -0.059 4.291 4.350 -0.000 0.000 0.196 525 E C 0.784 177.390 176.600 0.011 0.000 1.028 525 E CA 0.384 56.628 56.400 -0.259 0.000 0.864 525 E CB 0.587 30.026 29.700 -0.435 0.000 0.813 525 E HN 0.462 nan 8.360 nan 0.000 0.514 526 E N 0.865 121.107 120.200 0.069 0.000 2.299 526 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 526 E C 0.598 177.397 176.600 0.331 0.000 0.998 526 E CA 0.349 56.868 56.400 0.199 0.000 0.851 526 E CB 0.040 29.813 29.700 0.122 0.000 0.795 526 E HN 0.180 nan 8.360 nan 0.000 0.492 527 D N 0.266 120.805 120.400 0.232 0.000 2.393 527 D HA 0.190 4.830 4.640 -0.000 0.000 0.246 527 D C -0.156 176.240 176.300 0.160 0.000 1.275 527 D CA -0.169 53.988 54.000 0.261 0.000 0.979 527 D CB 0.806 41.694 40.800 0.146 0.000 1.101 527 D HN -0.080 nan 8.370 nan 0.000 0.505 528 I N -0.254 120.328 120.570 0.021 0.000 2.730 528 I HA 0.590 4.760 4.170 -0.000 0.000 0.298 528 I C -1.534 174.579 176.117 -0.007 0.000 1.089 528 I CA -0.583 60.570 61.300 -0.246 0.000 1.041 528 I CB 1.693 39.151 38.000 -0.903 0.000 1.235 528 I HN 0.423 nan 8.210 nan 0.000 0.423 529 A N 6.072 128.836 122.820 -0.093 0.000 2.486 529 A HA 0.781 5.101 4.320 -0.000 0.000 0.300 529 A C -1.987 175.342 177.584 -0.425 0.000 1.048 529 A CA -0.350 51.610 52.037 -0.129 0.000 0.696 529 A CB 1.422 20.355 19.000 -0.111 0.000 1.278 529 A HN 0.608 nan 8.150 nan 0.000 0.405 530 F N 1.688 121.067 119.950 -0.952 0.000 2.730 530 F HA 0.374 4.901 4.527 -0.000 0.000 0.335 530 F C 0.029 175.196 175.800 -1.055 0.000 1.212 530 F CA -0.248 57.024 58.000 -1.214 0.000 1.016 530 F CB 1.259 39.470 39.000 -1.315 0.000 1.290 530 F HN 0.826 nan 8.300 nan 0.000 0.495 531 N N 4.647 122.314 118.700 -1.722 0.000 2.678 531 N HA -0.182 4.558 4.740 -0.000 0.000 0.268 531 N C -2.678 172.375 175.510 -0.761 0.000 1.010 531 N CA 0.133 52.507 53.050 -1.127 0.000 0.784 531 N CB -0.720 37.447 38.487 -0.533 0.000 0.905 531 N HN 0.241 nan 8.380 nan 0.000 0.552 532 P HA 0.030 nan 4.420 nan 0.000 0.269 532 P C -1.754 175.346 177.300 -0.333 0.000 1.209 532 P CA -1.163 61.663 63.100 -0.457 0.000 0.776 532 P CB 0.718 32.181 31.700 -0.395 0.000 0.876 533 P HA -0.234 nan 4.420 nan 0.000 0.218 533 P C 1.372 178.582 177.300 -0.150 0.000 1.152 533 P CA 2.353 65.361 63.100 -0.154 0.000 0.857 533 P CB -0.413 31.219 31.700 -0.113 0.000 0.787 534 A N -1.632 121.089 122.820 -0.165 0.000 2.067 534 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 534 A C 1.920 179.381 177.584 -0.206 0.000 1.156 534 A CA 1.369 53.312 52.037 -0.156 0.000 0.683 534 A CB -0.611 18.309 19.000 -0.133 0.000 0.808 534 A HN 0.152 nan 8.150 nan 0.000 0.455 535 Q N -1.294 118.352 119.800 -0.256 0.000 2.245 535 Q HA 0.190 4.530 4.340 -0.000 0.000 0.236 535 Q C 1.656 177.594 176.000 -0.103 0.000 0.842 535 Q CA 0.503 56.166 55.803 -0.233 0.000 0.945 535 Q CB 0.210 28.776 28.738 -0.287 0.000 1.122 535 Q HN 0.631 nan 8.270 nan 0.000 0.506 536 K N 0.937 121.240 120.400 -0.161 0.000 2.074 536 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 536 K C 0.215 176.781 176.600 -0.058 0.000 1.048 536 K CA 1.780 57.988 56.287 -0.131 0.000 0.926 536 K CB 0.167 32.567 32.500 -0.166 0.000 0.713 536 K HN 0.141 nan 8.250 nan 0.000 0.444 537 D N 0.366 120.732 120.400 -0.057 0.000 2.360 537 D HA -0.034 4.606 4.640 -0.000 0.000 0.210 537 D C -0.207 176.086 176.300 -0.013 0.000 1.047 537 D CA 0.198 54.179 54.000 -0.031 0.000 0.854 537 D CB -0.003 40.776 40.800 -0.035 0.000 0.936 537 D HN 0.187 nan 8.370 nan 0.000 0.514 538 D N 1.061 121.446 120.400 -0.025 0.000 2.346 538 D HA 0.007 4.647 4.640 -0.000 0.000 0.260 538 D C 1.251 177.563 176.300 0.019 0.000 1.252 538 D CA 0.047 54.039 54.000 -0.014 0.000 0.895 538 D CB 0.733 41.503 40.800 -0.049 0.000 1.097 538 D HN -0.077 nan 8.370 nan 0.000 0.489 539 M N 3.368 122.987 119.600 0.031 0.000 2.492 539 M HA -0.067 4.413 4.480 -0.000 0.000 0.262 539 M C 1.633 177.984 176.300 0.086 0.000 1.090 539 M CA 0.511 55.843 55.300 0.053 0.000 1.110 539 M CB 0.153 32.767 32.600 0.024 0.000 1.407 539 M HN 0.473 nan 8.290 nan 0.000 0.470 540 L N -0.279 120.986 121.223 0.070 0.000 2.465 540 L HA -0.158 4.182 4.340 -0.000 0.000 0.224 540 L C 2.128 179.145 176.870 0.245 0.000 1.145 540 L CA 0.618 55.525 54.840 0.111 0.000 0.834 540 L CB -0.173 41.929 42.059 0.071 0.000 0.944 540 L HN 0.326 nan 8.230 nan 0.000 0.451 541 Q N -1.050 118.805 119.800 0.090 0.000 2.342 541 Q HA 0.055 4.395 4.340 -0.000 0.000 0.261 541 Q C 1.496 177.168 176.000 -0.546 0.000 0.841 541 Q CA 0.367 56.038 55.803 -0.219 0.000 0.969 541 Q CB -0.099 28.546 28.738 -0.156 0.000 1.136 541 Q HN 0.511 nan 8.270 nan 0.000 0.528 542 N N 1.042 119.671 118.700 -0.119 0.000 2.571 542 N HA -0.115 4.625 4.740 -0.000 0.000 0.189 542 N C 1.341 176.836 175.510 -0.025 0.000 1.154 542 N CA 0.529 53.579 53.050 0.001 0.000 0.907 542 N CB -0.673 37.878 38.487 0.107 0.000 0.977 542 N HN 0.417 nan 8.380 nan 0.000 0.449 543 W N 0.621 121.844 121.300 -0.128 0.000 2.595 543 W HA 0.148 4.808 4.660 -0.000 0.000 0.257 543 W C 0.867 177.098 176.519 -0.480 0.000 1.267 543 W CA -0.228 57.004 57.345 -0.190 0.000 1.300 543 W CB -0.669 28.635 29.460 -0.261 0.000 1.120 543 W HN 0.039 nan 8.180 nan 0.000 0.618 544 R N -0.561 119.025 120.500 -1.525 0.000 2.148 544 R HA -0.077 4.263 4.340 -0.000 0.000 0.223 544 R C 2.065 177.613 176.300 -1.253 0.000 1.088 544 R CA 1.835 56.804 56.100 -1.885 0.000 0.985 544 R CB -0.307 28.292 30.300 -2.835 0.000 0.880 544 R HN 0.183 nan 8.270 nan 0.000 0.451 545 W N -1.421 119.534 121.300 -0.575 0.000 3.103 545 W HA 0.293 4.953 4.660 -0.000 0.000 0.258 545 W C 2.089 178.381 176.519 -0.378 0.000 1.001 545 W CA 0.514 57.479 57.345 -0.634 0.000 1.940 545 W CB -1.082 27.629 29.460 -1.248 0.000 1.116 545 W HN 0.102 nan 8.180 nan 0.000 0.600 546 G N 0.527 109.284 108.800 -0.072 0.000 2.623 546 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.214 546 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.214 546 G C 0.445 175.436 174.900 0.152 0.000 1.138 546 G CA -0.050 45.139 45.100 0.148 0.000 0.794 546 G HN 0.126 nan 8.290 nan 0.000 0.535 547 E N 0.678 120.856 120.200 -0.037 0.000 2.338 547 E HA 0.198 4.548 4.350 -0.000 0.000 0.272 547 E C 0.049 176.661 176.600 0.020 0.000 1.029 547 E CA -0.297 55.934 56.400 -0.281 0.000 0.872 547 E CB 0.432 29.711 29.700 -0.703 0.000 1.015 547 E HN 0.320 nan 8.360 nan 0.000 0.417 548 Q N 2.297 122.159 119.800 0.102 0.000 2.382 548 Q HA 0.283 4.623 4.340 -0.000 0.000 0.229 548 Q C -1.146 175.116 176.000 0.436 0.000 1.006 548 Q CA -0.044 55.925 55.803 0.277 0.000 0.916 548 Q CB 0.916 29.799 28.738 0.241 0.000 1.235 548 Q HN 0.514 nan 8.270 nan 0.000 0.512 549 W N 2.450 123.934 121.300 0.307 0.000 3.827 549 W HA 0.197 4.857 4.660 -0.000 0.000 0.307 549 W C 0.019 176.657 176.519 0.199 0.000 1.204 549 W CA -0.869 56.598 57.345 0.203 0.000 1.250 549 W CB 0.318 29.847 29.460 0.116 0.000 1.281 549 W HN 0.667 nan 8.180 nan 0.000 0.494 550 I N 3.146 123.736 120.570 0.033 0.000 2.315 550 I HA -0.098 4.072 4.170 -0.000 0.000 0.251 550 I C -1.057 175.031 176.117 -0.048 0.000 1.125 550 I CA 0.981 62.332 61.300 0.085 0.000 1.392 550 I CB -1.558 36.528 38.000 0.143 0.000 1.065 550 I HN 0.140 nan 8.210 nan 0.000 0.424 551 P HA -0.179 nan 4.420 nan 0.000 0.215 551 P C 1.503 178.850 177.300 0.078 0.000 1.157 551 P CA 1.897 64.792 63.100 -0.343 0.000 0.874 551 P CB -0.339 30.906 31.700 -0.759 0.000 0.790 552 H N -0.756 118.449 119.070 0.225 0.000 2.289 552 H HA -0.125 4.431 4.556 -0.000 0.000 0.294 552 H C 2.258 177.763 175.328 0.295 0.000 1.095 552 H CA 2.010 58.248 56.048 0.316 0.000 1.256 552 H CB -1.473 28.461 29.762 0.286 0.000 1.359 552 H HN 0.184 nan 8.280 nan 0.000 0.487 553 G N 0.299 109.307 108.800 0.346 0.000 2.418 553 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 553 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 553 G C 2.036 177.222 174.900 0.477 0.000 1.158 553 G CA 1.421 46.687 45.100 0.276 0.000 0.771 553 G HN 0.571 nan 8.290 nan 0.000 0.545 554 A N 0.049 123.156 122.820 0.477 0.000 1.898 554 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 554 A C 2.213 179.834 177.584 0.061 0.000 1.181 554 A CA 1.321 53.455 52.037 0.163 0.000 0.620 554 A CB -0.693 18.193 19.000 -0.191 0.000 0.819 554 A HN 0.539 nan 8.150 nan 0.000 0.442 555 W N -1.858 119.558 121.300 0.194 0.000 2.388 555 W HA -0.127 4.533 4.660 -0.000 0.000 0.294 555 W C 2.149 178.785 176.519 0.195 0.000 1.212 555 W CA 1.042 58.492 57.345 0.174 0.000 1.271 555 W CB -0.363 29.197 29.460 0.166 0.000 1.126 555 W HN 0.546 nan 8.180 nan 0.000 0.535 556 Y N 0.970 121.488 120.300 0.362 0.000 2.181 556 Y HA -0.290 4.260 4.550 -0.000 0.000 0.288 556 Y C 2.322 178.337 175.900 0.191 0.000 1.146 556 Y CA 2.074 60.319 58.100 0.242 0.000 1.164 556 Y CB -0.748 37.818 38.460 0.176 0.000 0.982 556 Y HN -0.014 nan 8.280 nan 0.000 0.515 557 L N -0.738 120.608 121.223 0.204 0.000 2.056 557 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 557 L C 2.181 179.047 176.870 -0.007 0.000 1.078 557 L CA 1.548 56.438 54.840 0.082 0.000 0.749 557 L CB -0.629 41.554 42.059 0.208 0.000 0.901 557 L HN 0.353 nan 8.230 nan 0.000 0.433 558 L N 0.663 121.917 121.223 0.051 0.000 2.056 558 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 558 L C 2.678 179.608 176.870 0.100 0.000 1.078 558 L CA 2.011 56.892 54.840 0.068 0.000 0.749 558 L CB -1.163 40.969 42.059 0.123 0.000 0.901 558 L HN 0.341 nan 8.230 nan 0.000 0.433 559 A N 0.127 123.030 122.820 0.137 0.000 1.940 559 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 559 A C 2.215 179.787 177.584 -0.020 0.000 1.176 559 A CA 2.220 54.332 52.037 0.124 0.000 0.631 559 A CB -1.037 18.041 19.000 0.130 0.000 0.814 559 A HN 0.690 nan 8.150 nan 0.000 0.446 560 I N -4.577 115.877 120.570 -0.194 0.000 2.716 560 I HA -0.047 4.123 4.170 -0.000 0.000 0.259 560 I C 2.287 178.324 176.117 -0.134 0.000 1.172 560 I CA 1.155 62.325 61.300 -0.218 0.000 1.478 560 I CB -0.314 37.467 38.000 -0.366 0.000 1.104 560 I HN 0.164 nan 8.210 nan 0.000 0.439 561 M N 1.075 120.615 119.600 -0.100 0.000 2.156 561 M HA -0.083 4.397 4.480 -0.000 0.000 0.264 561 M C 2.486 178.742 176.300 -0.074 0.000 1.067 561 M CA 1.386 56.639 55.300 -0.078 0.000 1.131 561 M CB -0.305 32.255 32.600 -0.066 0.000 1.368 561 M HN 0.261 nan 8.290 nan 0.000 0.416 562 S N 0.419 116.092 115.700 -0.046 0.000 2.359 562 S HA -0.240 4.230 4.470 -0.000 0.000 0.224 562 S C 1.809 176.250 174.600 -0.266 0.000 1.035 562 S CA 1.477 59.655 58.200 -0.036 0.000 1.018 562 S CB -0.463 62.813 63.200 0.128 0.000 0.876 562 S HN 0.491 nan 8.310 nan 0.000 0.448 563 Q N 0.883 120.376 119.800 -0.511 0.000 2.061 563 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 563 Q C 2.267 178.090 176.000 -0.296 0.000 0.984 563 Q CA 1.599 56.885 55.803 -0.863 0.000 0.846 563 Q CB -0.368 28.063 28.738 -0.511 0.000 0.902 563 Q HN 0.565 nan 8.270 nan 0.000 0.421 564 A N 0.666 123.423 122.820 -0.105 0.000 1.972 564 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 564 A C 2.021 179.636 177.584 0.052 0.000 1.169 564 A CA 1.563 53.652 52.037 0.088 0.000 0.635 564 A CB -0.643 18.349 19.000 -0.014 0.000 0.810 564 A HN 0.519 nan 8.150 nan 0.000 0.446 565 Q N -0.521 119.264 119.800 -0.025 0.000 2.049 565 Q HA -0.242 4.098 4.340 -0.000 0.000 0.198 565 Q C 2.005 178.023 176.000 0.029 0.000 0.971 565 Q CA 2.238 58.040 55.803 -0.002 0.000 0.833 565 Q CB -0.457 28.278 28.738 -0.004 0.000 0.896 565 Q HN 0.880 nan 8.270 nan 0.000 0.434 566 H N 0.509 119.535 119.070 -0.074 0.000 2.352 566 H HA -0.111 4.444 4.556 -0.000 0.000 0.299 566 H C 1.920 177.246 175.328 -0.004 0.000 1.097 566 H CA 2.029 58.059 56.048 -0.030 0.000 1.311 566 H CB -0.128 29.611 29.762 -0.039 0.000 1.377 566 H HN 0.210 nan 8.280 nan 0.000 0.504 567 I N 0.012 120.449 120.570 -0.222 0.000 2.202 567 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 567 I C 2.432 178.479 176.117 -0.117 0.000 1.091 567 I CA 1.261 62.422 61.300 -0.231 0.000 1.368 567 I CB -1.253 36.649 38.000 -0.164 0.000 1.058 567 I HN 0.309 nan 8.210 nan 0.000 0.410 568 S N 0.252 115.985 115.700 0.055 0.000 2.370 568 S HA -0.253 4.217 4.470 -0.000 0.000 0.226 568 S C 1.914 176.509 174.600 -0.009 0.000 1.033 568 S CA 1.361 59.607 58.200 0.076 0.000 1.011 568 S CB -0.208 63.049 63.200 0.094 0.000 0.852 568 S HN 0.385 nan 8.310 nan 0.000 0.457 569 Q N 1.014 120.789 119.800 -0.041 0.000 2.124 569 Q HA 0.045 4.384 4.340 -0.000 0.000 0.202 569 Q C 1.949 177.910 176.000 -0.064 0.000 0.977 569 Q CA 1.290 57.069 55.803 -0.040 0.000 0.850 569 Q CB -0.382 28.347 28.738 -0.014 0.000 0.901 569 Q HN 0.507 nan 8.270 nan 0.000 0.429 570 L N -0.831 120.310 121.223 -0.138 0.000 2.056 570 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 570 L C 2.243 179.072 176.870 -0.069 0.000 1.078 570 L CA 1.066 55.834 54.840 -0.120 0.000 0.749 570 L CB -0.630 41.310 42.059 -0.199 0.000 0.901 570 L HN 0.251 nan 8.230 nan 0.000 0.433 571 A N -0.686 122.094 122.820 -0.065 0.000 2.015 571 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 571 A C 2.297 179.870 177.584 -0.018 0.000 1.163 571 A CA 1.876 53.891 52.037 -0.036 0.000 0.646 571 A CB -0.647 18.335 19.000 -0.030 0.000 0.806 571 A HN 0.384 nan 8.150 nan 0.000 0.448 572 T N -0.065 114.479 114.554 -0.016 0.000 2.812 572 T HA -0.083 4.267 4.350 -0.000 0.000 0.264 572 T C 2.195 176.891 174.700 -0.007 0.000 1.042 572 T CA 1.649 63.745 62.100 -0.006 0.000 1.140 572 T CB -0.261 68.605 68.868 -0.004 0.000 0.870 572 T HN 0.472 nan 8.240 nan 0.000 0.445 573 S N 1.095 116.788 115.700 -0.011 0.000 2.402 573 S HA -0.015 4.454 4.470 -0.000 0.000 0.229 573 S C 1.977 176.573 174.600 -0.005 0.000 1.021 573 S CA 0.794 58.990 58.200 -0.006 0.000 0.974 573 S CB -0.154 63.043 63.200 -0.006 0.000 0.800 573 S HN 0.449 nan 8.310 nan 0.000 0.484 574 K N 1.081 121.476 120.400 -0.009 0.000 2.147 574 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 574 K C 1.517 178.115 176.600 -0.004 0.000 1.049 574 K CA 1.072 57.355 56.287 -0.007 0.000 0.936 574 K CB -0.150 32.343 32.500 -0.012 0.000 0.722 574 K HN 0.205 nan 8.250 nan 0.000 0.446 575 N N 0.539 119.237 118.700 -0.003 0.000 2.216 575 N HA -0.011 4.729 4.740 -0.000 0.000 0.183 575 N C 0.930 176.441 175.510 0.001 0.000 1.017 575 N CA 0.549 53.599 53.050 -0.000 0.000 0.861 575 N CB 0.177 38.665 38.487 0.001 0.000 0.986 575 N HN 0.145 nan 8.380 nan 0.000 0.428 576 I N 0.000 120.571 120.570 0.001 0.000 2.984 576 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 576 I CA 0.000 61.301 61.300 0.002 0.000 1.566 576 I CB 0.000 38.002 38.000 0.003 0.000 1.214 576 I HN 0.000 nan 8.210 nan 0.000 0.494