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 1qwm_1_B DATA FIRST_RESID 1 DATA SEQUENCE MVNKDVKQTT AFGAPVWDDN NVITAGPRGP VLLQSTWFLE KLAAFDRERI DATA SEQUENCE PERVVHAKGS GAYGTFTVTK DITKYTKAKI FSKVGKKTEC FFRFSTVAGE DATA SEQUENCE RGSADAVRDP RGFAMKYYTE EGNWDLVGNN TPVFFIRDAI KFPDFIHTQK DATA SEQUENCE RDPQTNLPNH DMVWDFWSNV PESLYQVTWV MSDRGIPKSF RHMDGFGSHT DATA SEQUENCE FSLINAKGER FWVKFHFHTM QGVKHLTNEE AAEIRKHDPD SNQRDLFDAI DATA SEQUENCE ARGDYPKWKL SIQVMPEEDA KKYRFHPFDV TKIWYTQDYP LMEVGIVELN DATA SEQUENCE KNPENYFAEV EQAAFTPANV VPGIGYSPDR MLQGRLFSYG DTHRYRLGVN DATA SEQUENCE YPQIPVNKPR CPFHSSSRDG YMQNGYYGSL QNYTPSSLPG YKEDKSARDP DATA SEQUENCE KFNLAHIEKE FEVWNWDYRA DDSDYYTQPG DYYRSLPADE KERLHDTIGE DATA SEQUENCE SLAHVTHKEI VDKQLEHFKK ADPKYAEGVK KALEKHQKMM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.331 176.300 0.052 0.000 1.140 1 M CA 0.000 55.323 55.300 0.038 0.000 0.988 1 M CB 0.000 32.614 32.600 0.024 0.000 1.302 2 V N -0.125 119.821 119.914 0.053 0.000 2.581 2 V HA 0.745 4.865 4.120 -0.000 0.000 0.303 2 V C -1.190 174.925 176.094 0.035 0.000 1.041 2 V CA -0.345 61.984 62.300 0.047 0.000 0.907 2 V CB 1.643 33.497 31.823 0.052 0.000 0.994 2 V HN 0.946 nan 8.190 nan 0.000 0.442 3 N N 3.302 122.020 118.700 0.030 0.000 2.476 3 N HA 0.567 5.307 4.740 -0.000 0.000 0.257 3 N C -0.913 174.610 175.510 0.021 0.000 0.970 3 N CA -0.590 52.474 53.050 0.023 0.000 0.938 3 N CB 1.719 40.218 38.487 0.021 0.000 1.144 3 N HN 0.902 nan 8.380 nan 0.000 0.500 4 K N 1.554 121.964 120.400 0.018 0.000 2.468 4 K HA 0.304 4.624 4.320 -0.000 0.000 0.252 4 K C -1.446 175.160 176.600 0.010 0.000 0.932 4 K CA -0.719 55.577 56.287 0.014 0.000 0.794 4 K CB 1.343 33.852 32.500 0.015 0.000 1.241 4 K HN 0.277 nan 8.250 nan 0.000 0.428 5 D N 3.064 123.469 120.400 0.008 0.000 2.401 5 D HA 0.153 4.793 4.640 -0.000 0.000 0.254 5 D C -0.397 175.904 176.300 0.001 0.000 1.192 5 D CA 0.271 54.274 54.000 0.005 0.000 0.885 5 D CB 1.133 41.936 40.800 0.005 0.000 1.147 5 D HN 0.389 nan 8.370 nan 0.000 0.478 6 V N -0.424 119.488 119.914 -0.002 0.000 3.049 6 V HA 0.464 4.584 4.120 -0.000 0.000 0.309 6 V C -0.327 175.758 176.094 -0.016 0.000 1.148 6 V CA -1.234 61.061 62.300 -0.009 0.000 0.990 6 V CB 2.133 33.950 31.823 -0.010 0.000 1.039 6 V HN 0.194 nan 8.190 nan 0.000 0.430 7 K N 2.531 122.919 120.400 -0.020 0.000 2.378 7 K HA 0.261 4.581 4.320 -0.000 0.000 0.288 7 K C -0.162 176.407 176.600 -0.052 0.000 1.057 7 K CA 0.018 56.288 56.287 -0.028 0.000 0.971 7 K CB 0.989 33.476 32.500 -0.022 0.000 0.975 7 K HN 0.826 nan 8.250 nan 0.000 0.475 8 Q N 2.574 122.331 119.800 -0.071 0.000 2.304 8 Q HA 0.067 4.407 4.340 -0.000 0.000 0.260 8 Q C -0.389 175.495 176.000 -0.193 0.000 0.965 8 Q CA 0.038 55.764 55.803 -0.128 0.000 0.898 8 Q CB 0.804 29.459 28.738 -0.139 0.000 1.196 8 Q HN 0.727 nan 8.270 nan 0.000 0.402 9 T N -0.390 114.021 114.554 -0.238 0.000 2.838 9 T HA 0.539 4.889 4.350 -0.000 0.000 0.292 9 T C 0.173 174.623 174.700 -0.417 0.000 1.113 9 T CA -0.455 61.484 62.100 -0.269 0.000 1.008 9 T CB 1.217 70.007 68.868 -0.129 0.000 1.259 9 T HN 0.651 nan 8.240 nan 0.000 0.520 10 T N -1.223 113.129 114.554 -0.338 0.000 2.726 10 T HA 0.505 4.855 4.350 -0.000 0.000 0.294 10 T C 1.769 176.395 174.700 -0.123 0.000 1.013 10 T CA -0.197 61.779 62.100 -0.208 0.000 0.996 10 T CB 0.024 68.937 68.868 0.075 0.000 1.016 10 T HN 1.101 nan 8.240 nan 0.000 0.529 11 A N -0.261 122.463 122.820 -0.159 0.000 2.216 11 A HA 0.187 4.507 4.320 -0.000 0.000 0.214 11 A C 1.375 178.649 177.584 -0.517 0.000 1.160 11 A CA 0.540 52.353 52.037 -0.375 0.000 0.725 11 A CB -1.034 17.654 19.000 -0.521 0.000 0.784 11 A HN 0.783 nan 8.150 nan 0.000 0.472 12 F N -1.345 118.619 119.950 0.023 0.000 2.639 12 F HA 0.390 4.917 4.527 -0.000 0.000 0.302 12 F C 1.710 177.513 175.800 0.005 0.000 1.097 12 F CA 0.496 58.508 58.000 0.020 0.000 1.294 12 F CB 0.368 39.389 39.000 0.034 0.000 1.027 12 F HN 0.295 nan 8.300 nan 0.000 0.550 13 G N 0.737 109.587 108.800 0.085 0.000 2.159 13 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.256 13 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.256 13 G C 0.261 175.186 174.900 0.042 0.000 0.977 13 G CA -0.114 45.011 45.100 0.041 0.000 0.652 13 G HN 0.629 nan 8.290 nan 0.000 0.531 14 A N 0.625 123.485 122.820 0.067 0.000 2.363 14 A HA 0.725 5.045 4.320 -0.000 0.000 0.270 14 A C -1.668 175.918 177.584 0.003 0.000 1.121 14 A CA -1.149 50.925 52.037 0.061 0.000 0.800 14 A CB 0.539 19.605 19.000 0.108 0.000 1.052 14 A HN 0.137 nan 8.150 nan 0.000 0.493 15 P HA 0.125 nan 4.420 nan 0.000 0.265 15 P C -0.526 176.759 177.300 -0.026 0.000 1.193 15 P CA 0.068 63.170 63.100 0.003 0.000 0.765 15 P CB 0.559 32.300 31.700 0.068 0.000 0.823 16 V N 5.509 125.297 119.914 -0.210 0.000 2.432 16 V HA 0.082 4.202 4.120 -0.000 0.000 0.271 16 V C 1.092 177.122 176.094 -0.106 0.000 1.046 16 V CA 0.110 62.173 62.300 -0.395 0.000 0.945 16 V CB 0.175 31.572 31.823 -0.710 0.000 0.992 16 V HN 0.783 nan 8.190 nan 0.000 0.471 17 W N 2.383 123.628 121.300 -0.091 0.000 3.058 17 W HA 0.412 5.072 4.660 -0.000 0.000 0.306 17 W C -0.039 176.490 176.519 0.017 0.000 1.188 17 W CA -0.192 57.137 57.345 -0.026 0.000 1.651 17 W CB 0.537 29.993 29.460 -0.006 0.000 1.051 17 W HN 0.495 nan 8.180 nan 0.000 0.592 18 D N 1.274 121.606 120.400 -0.113 0.000 2.354 18 D HA 0.042 4.682 4.640 -0.000 0.000 0.230 18 D C -0.946 175.370 176.300 0.027 0.000 1.361 18 D CA -0.019 53.975 54.000 -0.010 0.000 0.992 18 D CB 1.383 42.191 40.800 0.014 0.000 1.409 18 D HN -0.212 nan 8.370 nan 0.000 0.573 19 D N 1.894 122.347 120.400 0.088 0.000 2.342 19 D HA 0.172 4.812 4.640 -0.000 0.000 0.221 19 D C 0.562 176.935 176.300 0.121 0.000 1.101 19 D CA 0.289 54.413 54.000 0.206 0.000 0.837 19 D CB 0.423 41.332 40.800 0.181 0.000 0.938 19 D HN 0.238 nan 8.370 nan 0.000 0.508 20 N N -0.542 118.201 118.700 0.072 0.000 2.239 20 N HA 0.093 4.833 4.740 -0.000 0.000 0.208 20 N C -0.533 174.988 175.510 0.019 0.000 1.200 20 N CA -0.015 53.059 53.050 0.040 0.000 0.895 20 N CB 0.693 39.202 38.487 0.036 0.000 1.085 20 N HN 0.065 nan 8.380 nan 0.000 0.500 21 N N 1.238 119.949 118.700 0.018 0.000 2.310 21 N HA 0.214 4.954 4.740 -0.000 0.000 0.292 21 N C -0.115 175.379 175.510 -0.027 0.000 1.049 21 N CA -0.326 52.721 53.050 -0.004 0.000 0.849 21 N CB 3.315 41.814 38.487 0.020 0.000 1.532 21 N HN -0.192 nan 8.380 nan 0.000 0.479 22 V N -0.695 119.171 119.914 -0.079 0.000 3.441 22 V HA 0.476 4.596 4.120 -0.000 0.000 0.300 22 V C 0.477 176.537 176.094 -0.057 0.000 1.062 22 V CA -0.624 61.605 62.300 -0.120 0.000 1.064 22 V CB 0.499 32.143 31.823 -0.298 0.000 1.197 22 V HN 0.395 nan 8.190 nan 0.000 0.451 23 I N 2.534 123.080 120.570 -0.041 0.000 2.371 23 I HA 0.516 4.686 4.170 -0.000 0.000 0.290 23 I C 0.500 176.609 176.117 -0.014 0.000 1.028 23 I CA 0.429 61.742 61.300 0.022 0.000 1.345 23 I CB 0.119 38.165 38.000 0.077 0.000 1.407 23 I HN 1.108 nan 8.210 nan 0.000 0.501 24 T N 1.856 116.412 114.554 0.003 0.000 2.883 24 T HA 0.769 5.119 4.350 -0.000 0.000 0.296 24 T C -0.379 174.324 174.700 0.005 0.000 1.117 24 T CA -0.997 61.096 62.100 -0.013 0.000 1.006 24 T CB 2.033 70.885 68.868 -0.027 0.000 1.191 24 T HN 0.617 nan 8.240 nan 0.000 0.508 25 A N 1.166 123.985 122.820 -0.002 0.000 2.650 25 A HA 0.746 5.066 4.320 -0.000 0.000 0.320 25 A C 1.147 178.732 177.584 0.001 0.000 1.466 25 A CA 0.220 52.259 52.037 0.004 0.000 1.099 25 A CB -1.403 17.598 19.000 0.001 0.000 1.136 25 A HN 2.243 nan 8.150 nan 0.000 0.532 26 G N 3.468 112.271 108.800 0.006 0.000 2.781 26 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.683 26 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.683 26 G C -1.359 173.542 174.900 0.002 0.000 1.390 26 G CA -0.242 44.861 45.100 0.005 0.000 0.850 26 G HN 0.456 nan 8.290 nan 0.000 0.557 27 P HA -0.037 nan 4.420 nan 0.000 0.223 27 P C 1.174 178.469 177.300 -0.007 0.000 1.151 27 P CA 1.182 64.282 63.100 0.001 0.000 0.787 27 P CB 0.135 31.837 31.700 0.003 0.000 0.788 28 R N -0.617 119.878 120.500 -0.009 0.000 2.543 28 R HA 0.297 4.637 4.340 -0.000 0.000 0.323 28 R C 1.166 177.455 176.300 -0.018 0.000 1.002 28 R CA -0.174 55.917 56.100 -0.014 0.000 1.106 28 R CB 0.774 31.068 30.300 -0.011 0.000 1.280 28 R HN 0.125 nan 8.270 nan 0.000 0.549 29 G N 2.298 111.088 108.800 -0.017 0.000 2.580 29 G HA2 0.286 4.246 3.960 -0.000 0.000 0.278 29 G HA3 0.286 4.246 3.960 -0.000 0.000 0.278 29 G C -2.169 172.713 174.900 -0.030 0.000 1.212 29 G CA -0.883 44.206 45.100 -0.018 0.000 0.939 29 G HN -0.100 nan 8.290 nan 0.000 0.513 30 P HA 0.184 nan 4.420 nan 0.000 0.273 30 P C -0.321 176.947 177.300 -0.053 0.000 1.250 30 P CA -0.307 62.768 63.100 -0.041 0.000 0.793 30 P CB 0.935 32.617 31.700 -0.030 0.000 1.011 31 V N 1.681 121.547 119.914 -0.080 0.000 2.607 31 V HA 0.164 4.284 4.120 -0.000 0.000 0.289 31 V C 0.767 176.816 176.094 -0.075 0.000 1.053 31 V CA -0.443 61.789 62.300 -0.113 0.000 0.996 31 V CB 0.699 32.395 31.823 -0.211 0.000 0.995 31 V HN 0.341 nan 8.190 nan 0.000 0.476 32 L N 3.882 125.072 121.223 -0.056 0.000 2.312 32 L HA 0.278 4.617 4.340 -0.000 0.000 0.281 32 L C 1.069 177.938 176.870 -0.001 0.000 1.070 32 L CA -0.347 54.485 54.840 -0.014 0.000 0.805 32 L CB 1.234 43.301 42.059 0.012 0.000 1.174 32 L HN 0.559 nan 8.230 nan 0.000 0.434 33 L N 2.588 123.823 121.223 0.021 0.000 2.189 33 L HA -0.225 4.115 4.340 -0.000 0.000 0.214 33 L C 2.317 179.229 176.870 0.070 0.000 1.097 33 L CA 1.741 56.610 54.840 0.048 0.000 0.764 33 L CB -0.592 41.493 42.059 0.044 0.000 0.900 33 L HN 0.857 nan 8.230 nan 0.000 0.436 34 Q N -1.609 118.232 119.800 0.068 0.000 2.515 34 Q HA -0.012 4.328 4.340 -0.000 0.000 0.214 34 Q C 0.425 176.495 176.000 0.117 0.000 0.971 34 Q CA 0.509 56.368 55.803 0.093 0.000 0.952 34 Q CB -0.455 28.339 28.738 0.093 0.000 0.999 34 Q HN 0.410 nan 8.270 nan 0.000 0.524 35 S N 2.129 117.889 115.700 0.099 0.000 4.120 35 S HA 0.013 4.483 4.470 -0.000 0.000 0.215 35 S C 0.956 175.654 174.600 0.163 0.000 1.347 35 S CA 0.343 58.605 58.200 0.104 0.000 0.889 35 S CB 0.238 63.458 63.200 0.034 0.000 1.585 35 S HN 0.562 nan 8.310 nan 0.000 0.447 36 T N -1.216 113.428 114.554 0.151 0.000 3.023 36 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 36 T C 1.459 176.269 174.700 0.184 0.000 1.093 36 T CA -0.001 62.192 62.100 0.155 0.000 1.129 36 T CB -0.269 68.693 68.868 0.157 0.000 0.899 36 T HN 0.804 nan 8.240 nan 0.000 0.491 37 W N 0.979 122.266 121.300 -0.021 0.000 2.409 37 W HA -0.091 4.569 4.660 -0.000 0.000 0.299 37 W C 1.743 178.244 176.519 -0.030 0.000 1.203 37 W CA 0.319 57.627 57.345 -0.062 0.000 1.298 37 W CB -0.401 28.948 29.460 -0.184 0.000 1.127 37 W HN 0.258 nan 8.180 nan 0.000 0.528 38 F N 2.006 121.741 119.950 -0.359 0.000 2.091 38 F HA -0.290 4.237 4.527 -0.000 0.000 0.299 38 F C 2.224 177.819 175.800 -0.342 0.000 1.103 38 F CA 2.513 60.253 58.000 -0.434 0.000 1.228 38 F CB -0.934 37.923 39.000 -0.239 0.000 0.984 38 F HN -0.201 nan 8.300 nan 0.000 0.477 39 L N 0.145 121.194 121.223 -0.289 0.000 2.046 39 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 39 L C 2.620 179.292 176.870 -0.329 0.000 1.077 39 L CA 2.023 56.679 54.840 -0.307 0.000 0.747 39 L CB -0.904 41.141 42.059 -0.023 0.000 0.896 39 L HN 0.319 nan 8.230 nan 0.000 0.432 40 E N 0.681 120.748 120.200 -0.223 0.000 2.047 40 E HA -0.280 4.070 4.350 -0.000 0.000 0.191 40 E C 2.249 178.645 176.600 -0.340 0.000 0.987 40 E CA 1.291 57.612 56.400 -0.131 0.000 0.799 40 E CB 0.067 29.856 29.700 0.148 0.000 0.752 40 E HN 0.296 nan 8.360 nan 0.000 0.449 41 K N 0.160 120.074 120.400 -0.810 0.000 2.026 41 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 41 K C 2.224 178.508 176.600 -0.527 0.000 1.048 41 K CA 1.115 56.855 56.287 -0.912 0.000 0.929 41 K CB -0.012 31.540 32.500 -1.580 0.000 0.713 41 K HN 0.177 nan 8.250 nan 0.000 0.439 42 L N 0.653 121.483 121.223 -0.655 0.000 2.109 42 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 42 L C 2.571 179.310 176.870 -0.218 0.000 1.086 42 L CA 1.708 56.279 54.840 -0.448 0.000 0.760 42 L CB -1.332 40.278 42.059 -0.748 0.000 0.910 42 L HN 0.301 nan 8.230 nan 0.000 0.437 43 A N -0.158 122.512 122.820 -0.249 0.000 1.972 43 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 43 A C 2.504 180.030 177.584 -0.096 0.000 1.169 43 A CA 1.604 53.561 52.037 -0.133 0.000 0.635 43 A CB -0.421 18.516 19.000 -0.105 0.000 0.810 43 A HN 0.394 nan 8.150 nan 0.000 0.446 44 A N -1.112 121.649 122.820 -0.098 0.000 1.898 44 A HA 0.013 4.332 4.320 -0.000 0.000 0.216 44 A C 2.007 179.553 177.584 -0.064 0.000 1.181 44 A CA 1.469 53.463 52.037 -0.072 0.000 0.620 44 A CB -0.706 18.262 19.000 -0.053 0.000 0.819 44 A HN 0.672 nan 8.150 nan 0.000 0.442 45 F N 1.570 121.409 119.950 -0.185 0.000 2.126 45 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 45 F C 1.419 177.135 175.800 -0.140 0.000 1.096 45 F CA 2.081 59.982 58.000 -0.164 0.000 1.255 45 F CB -0.238 38.653 39.000 -0.182 0.000 0.997 45 F HN 0.235 nan 8.300 nan 0.000 0.479 46 D N 0.079 120.379 120.400 -0.167 0.000 2.351 46 D HA -0.095 4.545 4.640 -0.000 0.000 0.216 46 D C 1.507 177.666 176.300 -0.236 0.000 0.968 46 D CA 0.965 54.834 54.000 -0.217 0.000 0.899 46 D CB -0.203 40.547 40.800 -0.083 0.000 0.907 46 D HN 0.404 nan 8.370 nan 0.000 0.514 47 R N -0.101 120.267 120.500 -0.221 0.000 2.629 47 R HA 0.191 4.531 4.340 -0.000 0.000 0.386 47 R C 1.134 177.306 176.300 -0.214 0.000 1.071 47 R CA -0.108 55.884 56.100 -0.180 0.000 1.104 47 R CB 0.636 30.863 30.300 -0.122 0.000 1.370 47 R HN 0.111 nan 8.270 nan 0.000 0.574 48 E N 0.693 120.710 120.200 -0.304 0.000 2.150 48 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 48 E C 0.286 176.708 176.600 -0.298 0.000 0.985 48 E CA 0.840 57.034 56.400 -0.342 0.000 0.814 48 E CB 0.273 29.738 29.700 -0.392 0.000 0.752 48 E HN 0.050 nan 8.360 nan 0.000 0.466 49 R N 1.248 121.625 120.500 -0.205 0.000 2.349 49 R HA 0.357 4.697 4.340 -0.000 0.000 0.299 49 R C 0.398 176.682 176.300 -0.026 0.000 1.027 49 R CA -0.290 55.761 56.100 -0.082 0.000 0.958 49 R CB 0.658 30.903 30.300 -0.091 0.000 1.047 49 R HN 0.157 nan 8.270 nan 0.000 0.468 50 I N -0.772 119.844 120.570 0.077 0.000 2.910 50 I HA 0.601 4.771 4.170 -0.000 0.000 0.310 50 I C -2.132 173.980 176.117 -0.008 0.000 1.043 50 I CA -2.968 58.342 61.300 0.017 0.000 1.053 50 I CB 1.548 39.584 38.000 0.060 0.000 1.242 50 I HN 0.240 nan 8.210 nan 0.000 0.452 51 P HA 0.060 nan 4.420 nan 0.000 0.265 51 P C -0.895 176.407 177.300 0.003 0.000 1.193 51 P CA -0.042 63.044 63.100 -0.022 0.000 0.765 51 P CB 0.370 32.047 31.700 -0.039 0.000 0.823 52 E N 2.989 123.206 120.200 0.029 0.000 2.392 52 E HA 0.133 4.483 4.350 -0.000 0.000 0.259 52 E C -0.435 176.188 176.600 0.039 0.000 1.108 52 E CA -0.778 55.644 56.400 0.037 0.000 0.916 52 E CB 0.576 30.304 29.700 0.047 0.000 0.989 52 E HN 0.266 nan 8.360 nan 0.000 0.432 53 R N 0.841 121.364 120.500 0.039 0.000 2.638 53 R HA -0.066 4.274 4.340 -0.000 0.000 0.268 53 R C 1.038 177.370 176.300 0.055 0.000 1.006 53 R CA 0.179 56.308 56.100 0.048 0.000 1.088 53 R CB 0.492 30.834 30.300 0.070 0.000 0.950 53 R HN 0.568 nan 8.270 nan 0.000 0.419 54 V N 3.851 123.792 119.914 0.046 0.000 2.626 54 V HA -0.093 4.027 4.120 -0.000 0.000 0.252 54 V C 0.501 176.624 176.094 0.048 0.000 1.067 54 V CA 1.652 63.974 62.300 0.037 0.000 1.081 54 V CB 0.213 32.049 31.823 0.021 0.000 0.686 54 V HN 0.531 nan 8.190 nan 0.000 0.468 55 V N -4.438 115.539 119.914 0.105 0.000 3.159 55 V HA 0.585 4.705 4.120 -0.000 0.000 0.308 55 V C 0.212 176.456 176.094 0.250 0.000 1.190 55 V CA -0.643 61.748 62.300 0.151 0.000 1.037 55 V CB 1.467 33.464 31.823 0.290 0.000 1.060 55 V HN 0.436 nan 8.190 nan 0.000 0.437 56 H N 0.191 119.312 119.070 0.085 0.000 2.862 56 H HA -0.217 4.339 4.556 -0.000 0.000 0.290 56 H C 1.515 176.883 175.328 0.067 0.000 1.211 56 H CA 0.793 56.891 56.048 0.082 0.000 1.140 56 H CB -1.170 28.631 29.762 0.065 0.000 1.341 56 H HN 1.203 nan 8.280 nan 0.000 0.392 57 A N 0.494 123.396 122.820 0.137 0.000 2.019 57 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 57 A C 1.505 179.169 177.584 0.133 0.000 1.164 57 A CA 1.433 53.537 52.037 0.113 0.000 0.644 57 A CB 0.053 19.098 19.000 0.075 0.000 0.805 57 A HN 0.226 nan 8.150 nan 0.000 0.449 58 K N 0.030 120.513 120.400 0.139 0.000 2.253 58 K HA 0.532 4.852 4.320 -0.000 0.000 0.277 58 K C -0.018 176.714 176.600 0.219 0.000 1.053 58 K CA 0.606 56.993 56.287 0.167 0.000 0.892 58 K CB 0.656 33.240 32.500 0.140 0.000 1.102 58 K HN 0.325 nan 8.250 nan 0.000 0.469 59 G N 0.787 109.743 108.800 0.261 0.000 2.554 59 G HA2 0.545 4.505 3.960 -0.000 0.000 0.306 59 G HA3 0.545 4.505 3.960 -0.000 0.000 0.306 59 G C -1.513 173.593 174.900 0.342 0.000 1.320 59 G CA -0.770 44.481 45.100 0.253 0.000 0.800 59 G HN 0.455 nan 8.290 nan 0.000 0.481 60 S N -1.643 114.189 115.700 0.219 0.000 2.536 60 S HA 0.824 5.294 4.470 -0.000 0.000 0.271 60 S C -0.140 174.481 174.600 0.035 0.000 1.134 60 S CA -0.143 58.241 58.200 0.307 0.000 0.897 60 S CB 1.892 65.401 63.200 0.513 0.000 1.094 60 S HN 1.400 nan 8.310 nan 0.000 0.473 61 G N 0.445 109.270 108.800 0.042 0.000 2.533 61 G HA2 0.872 4.832 3.960 -0.000 0.000 0.304 61 G HA3 0.872 4.832 3.960 -0.000 0.000 0.304 61 G C -1.353 173.429 174.900 -0.196 0.000 1.263 61 G CA -0.677 44.256 45.100 -0.279 0.000 0.964 61 G HN 1.030 nan 8.290 nan 0.000 0.479 62 A N -0.150 122.337 122.820 -0.555 0.000 2.604 62 A HA 0.750 5.070 4.320 -0.000 0.000 0.295 62 A C -1.802 175.541 177.584 -0.403 0.000 1.067 62 A CA -0.733 51.147 52.037 -0.260 0.000 0.683 62 A CB 0.889 19.844 19.000 -0.075 0.000 1.281 62 A HN 0.647 nan 8.150 nan 0.000 0.407 63 Y N 0.201 120.498 120.300 -0.005 0.000 2.403 63 Y HA 0.684 5.234 4.550 -0.000 0.000 0.323 63 Y C 1.187 177.004 175.900 -0.139 0.000 1.226 63 Y CA 0.826 58.933 58.100 0.013 0.000 1.235 63 Y CB 2.024 40.551 38.460 0.112 0.000 1.248 63 Y HN 1.086 nan 8.280 nan 0.000 0.489 64 G N -0.421 108.392 108.800 0.022 0.000 2.706 64 G HA2 0.574 4.534 3.960 -0.000 0.000 0.307 64 G HA3 0.574 4.534 3.960 -0.000 0.000 0.307 64 G C -1.583 173.322 174.900 0.008 0.000 1.307 64 G CA -0.881 44.165 45.100 -0.090 0.000 0.790 64 G HN 0.402 nan 8.290 nan 0.000 0.503 65 T N 0.319 114.885 114.554 0.020 0.000 2.916 65 T HA 0.532 4.882 4.350 -0.000 0.000 0.298 65 T C -1.670 173.165 174.700 0.225 0.000 1.031 65 T CA -0.207 61.967 62.100 0.124 0.000 0.993 65 T CB 1.739 70.644 68.868 0.061 0.000 1.045 65 T HN 0.530 nan 8.240 nan 0.000 0.454 66 F N 2.542 122.608 119.950 0.193 0.000 2.443 66 F HA 0.655 5.182 4.527 -0.000 0.000 0.335 66 F C -0.245 175.670 175.800 0.191 0.000 1.104 66 F CA -0.301 57.852 58.000 0.255 0.000 1.013 66 F CB 1.339 40.573 39.000 0.389 0.000 1.136 66 F HN 0.416 nan 8.300 nan 0.000 0.470 67 T N 5.814 119.931 114.554 -0.728 0.000 2.812 67 T HA 0.402 4.752 4.350 -0.000 0.000 0.282 67 T C -0.807 173.402 174.700 -0.817 0.000 0.990 67 T CA -0.563 61.205 62.100 -0.554 0.000 0.960 67 T CB 1.416 70.148 68.868 -0.226 0.000 0.948 67 T HN 0.399 nan 8.240 nan 0.000 0.438 68 V N 4.184 123.829 119.914 -0.449 0.000 2.572 68 V HA 0.182 4.302 4.120 -0.000 0.000 0.291 68 V C 1.666 177.708 176.094 -0.088 0.000 1.039 68 V CA 0.380 62.591 62.300 -0.150 0.000 1.055 68 V CB 0.827 32.718 31.823 0.113 0.000 0.969 68 V HN 1.177 nan 8.190 nan 0.000 0.482 69 T N 0.978 115.507 114.554 -0.043 0.000 2.969 69 T HA 0.282 4.631 4.350 -0.000 0.000 0.250 69 T C 0.490 175.195 174.700 0.009 0.000 1.021 69 T CA -0.146 61.945 62.100 -0.015 0.000 1.003 69 T CB 0.480 69.343 68.868 -0.009 0.000 1.040 69 T HN 0.454 nan 8.240 nan 0.000 0.492 70 K N 1.569 121.983 120.400 0.022 0.000 2.443 70 K HA 0.506 4.826 4.320 -0.000 0.000 0.251 70 K C -1.855 174.756 176.600 0.019 0.000 0.972 70 K CA -0.613 55.683 56.287 0.016 0.000 0.833 70 K CB 2.165 34.671 32.500 0.010 0.000 1.317 70 K HN 0.082 nan 8.250 nan 0.000 0.441 71 D N 1.752 122.153 120.400 0.002 0.000 2.313 71 D HA 0.250 4.889 4.640 -0.000 0.000 0.239 71 D C 0.495 176.772 176.300 -0.039 0.000 1.142 71 D CA -0.437 53.559 54.000 -0.006 0.000 0.847 71 D CB 0.307 41.096 40.800 -0.019 0.000 1.082 71 D HN 0.536 nan 8.370 nan 0.000 0.480 72 I N 0.735 121.281 120.570 -0.040 0.000 3.947 72 I HA 0.191 4.361 4.170 -0.000 0.000 0.327 72 I C 1.266 177.337 176.117 -0.076 0.000 1.519 72 I CA -0.416 60.848 61.300 -0.060 0.000 1.122 72 I CB 0.226 38.184 38.000 -0.068 0.000 1.146 72 I HN 0.252 nan 8.210 nan 0.000 0.442 73 T N -0.811 113.707 114.554 -0.060 0.000 2.977 73 T HA -0.152 4.198 4.350 -0.000 0.000 0.271 73 T C 1.687 176.318 174.700 -0.115 0.000 1.105 73 T CA 1.443 63.521 62.100 -0.038 0.000 1.116 73 T CB -0.450 68.415 68.868 -0.004 0.000 0.878 73 T HN 0.698 nan 8.240 nan 0.000 0.509 74 K N 0.180 120.414 120.400 -0.276 0.000 2.280 74 K HA -0.130 4.190 4.320 -0.000 0.000 0.202 74 K C 1.402 177.715 176.600 -0.478 0.000 1.047 74 K CA 1.300 57.339 56.287 -0.414 0.000 0.942 74 K CB -0.496 31.621 32.500 -0.638 0.000 0.739 74 K HN 0.547 nan 8.250 nan 0.000 0.457 75 Y N 0.419 120.553 120.300 -0.276 0.000 2.535 75 Y HA 0.149 4.699 4.550 -0.000 0.000 0.266 75 Y C 0.814 176.681 175.900 -0.055 0.000 1.088 75 Y CA -0.241 57.599 58.100 -0.434 0.000 1.285 75 Y CB 1.396 39.535 38.460 -0.536 0.000 1.166 75 Y HN 0.007 nan 8.280 nan 0.000 0.525 76 T N 0.249 114.874 114.554 0.118 0.000 2.956 76 T HA 0.228 4.578 4.350 -0.000 0.000 0.312 76 T C -0.333 174.430 174.700 0.106 0.000 1.151 76 T CA -0.863 61.317 62.100 0.132 0.000 1.024 76 T CB 1.308 70.273 68.868 0.161 0.000 1.140 76 T HN 0.299 nan 8.240 nan 0.000 0.473 77 K N 2.601 123.048 120.400 0.077 0.000 2.410 77 K HA 0.640 4.960 4.320 -0.000 0.000 0.200 77 K C 0.696 177.315 176.600 0.031 0.000 1.023 77 K CA -0.408 55.909 56.287 0.050 0.000 1.149 77 K CB 0.354 32.872 32.500 0.030 0.000 0.859 77 K HN 0.493 nan 8.250 nan 0.000 0.514 78 A N 2.052 124.895 122.820 0.038 0.000 2.511 78 A HA 0.065 4.385 4.320 -0.000 0.000 0.242 78 A C 0.785 178.325 177.584 -0.072 0.000 1.069 78 A CA -0.391 51.603 52.037 -0.072 0.000 0.763 78 A CB 0.413 19.292 19.000 -0.203 0.000 1.001 78 A HN 0.198 nan 8.150 nan 0.000 0.498 79 K N 2.401 122.742 120.400 -0.098 0.000 2.147 79 K HA -0.129 4.190 4.320 -0.000 0.000 0.205 79 K C 1.660 178.215 176.600 -0.075 0.000 1.049 79 K CA 1.306 57.563 56.287 -0.050 0.000 0.936 79 K CB -0.445 32.039 32.500 -0.028 0.000 0.722 79 K HN 0.854 nan 8.250 nan 0.000 0.446 80 I N 0.276 120.709 120.570 -0.227 0.000 2.423 80 I HA -0.252 3.918 4.170 -0.000 0.000 0.254 80 I C 0.702 176.721 176.117 -0.164 0.000 1.151 80 I CA 1.328 62.457 61.300 -0.286 0.000 1.421 80 I CB 0.093 37.743 38.000 -0.582 0.000 1.079 80 I HN -0.066 nan 8.210 nan 0.000 0.431 81 F N -0.058 119.936 119.950 0.074 0.000 2.653 81 F HA 0.162 4.689 4.527 -0.000 0.000 0.304 81 F C 2.367 178.208 175.800 0.068 0.000 1.092 81 F CA 0.259 58.322 58.000 0.105 0.000 1.279 81 F CB -0.571 38.468 39.000 0.064 0.000 1.044 81 F HN 0.088 nan 8.300 nan 0.000 0.564 82 S N -0.573 115.235 115.700 0.180 0.000 2.561 82 S HA 0.012 4.482 4.470 -0.000 0.000 0.225 82 S C 0.670 175.323 174.600 0.089 0.000 0.977 82 S CA 0.076 58.344 58.200 0.113 0.000 0.926 82 S CB -0.059 63.180 63.200 0.066 0.000 0.769 82 S HN 0.353 nan 8.310 nan 0.000 0.533 83 K N 0.568 121.029 120.400 0.101 0.000 2.543 83 K HA 0.453 4.773 4.320 -0.000 0.000 0.255 83 K C -1.688 174.955 176.600 0.072 0.000 0.934 83 K CA -0.698 55.630 56.287 0.069 0.000 0.810 83 K CB 2.332 34.864 32.500 0.054 0.000 1.315 83 K HN 0.010 nan 8.250 nan 0.000 0.433 84 V N 3.089 123.032 119.914 0.049 0.000 2.555 84 V HA 0.340 4.460 4.120 -0.000 0.000 0.286 84 V C 1.291 177.399 176.094 0.023 0.000 1.044 84 V CA 1.447 63.770 62.300 0.038 0.000 1.026 84 V CB 0.731 32.569 31.823 0.024 0.000 0.981 84 V HN 1.134 nan 8.190 nan 0.000 0.480 85 G N 3.948 112.753 108.800 0.008 0.000 2.195 85 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.246 85 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.246 85 G C 0.385 175.287 174.900 0.003 0.000 0.984 85 G CA 0.265 45.362 45.100 -0.004 0.000 0.633 85 G HN 0.710 nan 8.290 nan 0.000 0.525 86 K N 1.170 121.586 120.400 0.027 0.000 2.412 86 K HA 0.406 4.726 4.320 -0.000 0.000 0.281 86 K C 0.161 176.789 176.600 0.047 0.000 1.027 86 K CA 0.252 56.570 56.287 0.050 0.000 0.989 86 K CB 0.178 32.730 32.500 0.085 0.000 0.935 86 K HN 0.251 nan 8.250 nan 0.000 0.475 87 K N 2.343 122.780 120.400 0.063 0.000 2.221 87 K HA 0.299 4.619 4.320 -0.000 0.000 0.258 87 K C -1.150 175.542 176.600 0.153 0.000 0.944 87 K CA -0.682 55.657 56.287 0.085 0.000 0.823 87 K CB 2.189 34.720 32.500 0.053 0.000 1.113 87 K HN 0.485 nan 8.250 nan 0.000 0.431 88 T N 1.508 116.211 114.554 0.249 0.000 2.879 88 T HA 0.108 4.458 4.350 -0.000 0.000 0.290 88 T C -0.919 173.976 174.700 0.326 0.000 0.993 88 T CA -0.751 61.523 62.100 0.291 0.000 0.975 88 T CB 1.459 70.541 68.868 0.357 0.000 0.981 88 T HN 0.571 nan 8.240 nan 0.000 0.439 89 E N 1.738 122.110 120.200 0.286 0.000 2.398 89 E HA 0.355 4.705 4.350 -0.000 0.000 0.263 89 E C -0.290 176.564 176.600 0.423 0.000 1.046 89 E CA -0.488 56.102 56.400 0.316 0.000 0.908 89 E CB 0.437 30.283 29.700 0.243 0.000 0.963 89 E HN 0.863 nan 8.360 nan 0.000 0.431 90 C N 2.316 121.810 119.300 0.323 0.000 3.241 90 C HA 0.809 5.269 4.460 -0.000 0.000 0.312 90 C C -1.206 173.890 174.990 0.177 0.000 1.350 90 C CA -1.169 57.896 59.018 0.078 0.000 1.415 90 C CB 0.646 28.287 27.740 -0.165 0.000 1.770 90 C HN 0.738 nan 8.230 nan 0.000 0.466 91 F N 1.721 121.567 119.950 -0.173 0.000 2.557 91 F HA 0.817 5.344 4.527 -0.000 0.000 0.316 91 F C -1.795 173.949 175.800 -0.093 0.000 1.141 91 F CA -1.152 56.710 58.000 -0.230 0.000 0.922 91 F CB 1.242 40.045 39.000 -0.329 0.000 1.194 91 F HN 0.643 nan 8.300 nan 0.000 0.443 92 F N 4.874 123.974 119.950 -1.415 0.000 2.522 92 F HA 0.645 5.172 4.527 -0.000 0.000 0.324 92 F C -0.249 174.550 175.800 -1.668 0.000 1.077 92 F CA -1.111 56.038 58.000 -1.418 0.000 0.944 92 F CB 2.022 40.135 39.000 -1.478 0.000 1.175 92 F HN 0.472 nan 8.300 nan 0.000 0.468 93 R N 2.692 122.442 120.500 -1.249 0.000 2.513 93 R HA 0.604 4.944 4.340 -0.000 0.000 0.301 93 R C -1.906 173.730 176.300 -1.106 0.000 0.968 93 R CA -0.377 55.153 56.100 -0.949 0.000 0.872 93 R CB 1.069 31.145 30.300 -0.373 0.000 1.177 93 R HN 0.512 nan 8.270 nan 0.000 0.444 94 F N 1.925 121.448 119.950 -0.712 0.000 2.470 94 F HA 0.572 5.099 4.527 -0.000 0.000 0.329 94 F C 0.406 175.806 175.800 -0.667 0.000 1.072 94 F CA -0.378 57.071 58.000 -0.919 0.000 0.989 94 F CB 2.258 40.235 39.000 -1.705 0.000 1.193 94 F HN 0.627 nan 8.300 nan 0.000 0.481 95 S N -0.998 114.617 115.700 -0.141 0.000 2.611 95 S HA 0.621 5.091 4.470 -0.000 0.000 0.268 95 S C -0.642 174.127 174.600 0.282 0.000 1.156 95 S CA -0.940 57.347 58.200 0.145 0.000 0.817 95 S CB 1.302 64.627 63.200 0.210 0.000 1.122 95 S HN 0.696 nan 8.310 nan 0.000 0.466 96 T N -1.205 113.497 114.554 0.247 0.000 2.891 96 T HA 0.679 5.029 4.350 -0.000 0.000 0.294 96 T C 0.911 175.562 174.700 -0.081 0.000 1.065 96 T CA -0.089 62.102 62.100 0.152 0.000 0.936 96 T CB 0.199 69.153 68.868 0.144 0.000 1.415 96 T HN 0.636 nan 8.240 nan 0.000 0.572 97 V N -0.306 119.526 119.914 -0.137 0.000 2.950 97 V HA 0.333 4.453 4.120 -0.000 0.000 0.231 97 V C 2.749 178.748 176.094 -0.159 0.000 1.205 97 V CA 0.747 62.839 62.300 -0.347 0.000 1.239 97 V CB -0.906 30.816 31.823 -0.167 0.000 1.050 97 V HN 1.001 nan 8.190 nan 0.000 0.498 98 A N 0.524 123.281 122.820 -0.105 0.000 1.975 98 A HA 0.366 4.686 4.320 -0.000 0.000 0.215 98 A C 1.560 179.090 177.584 -0.090 0.000 1.170 98 A CA 0.988 52.945 52.037 -0.134 0.000 0.656 98 A CB -0.781 18.114 19.000 -0.175 0.000 0.821 98 A HN 0.546 nan 8.150 nan 0.000 0.449 99 G N 0.157 108.930 108.800 -0.046 0.000 2.527 99 G HA2 0.441 4.401 3.960 -0.000 0.000 0.248 99 G HA3 0.441 4.401 3.960 -0.000 0.000 0.248 99 G C -0.282 174.616 174.900 -0.004 0.000 1.231 99 G CA -0.287 44.799 45.100 -0.023 0.000 0.838 99 G HN 0.424 nan 8.290 nan 0.000 0.570 100 E N -0.028 120.168 120.200 -0.005 0.000 2.622 100 E HA 0.330 4.680 4.350 -0.000 0.000 0.255 100 E C 0.753 177.373 176.600 0.034 0.000 1.313 100 E CA -0.415 55.991 56.400 0.010 0.000 1.011 100 E CB 0.571 30.268 29.700 -0.004 0.000 1.173 100 E HN 0.422 nan 8.360 nan 0.000 0.601 101 R N -0.183 120.343 120.500 0.043 0.000 2.679 101 R HA 0.235 4.575 4.340 -0.000 0.000 0.268 101 R C 0.933 177.254 176.300 0.036 0.000 1.044 101 R CA 1.271 57.406 56.100 0.058 0.000 1.105 101 R CB 0.044 30.384 30.300 0.066 0.000 0.989 101 R HN 0.792 nan 8.270 nan 0.000 0.447 102 G N 0.862 109.682 108.800 0.033 0.000 2.268 102 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.240 102 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.240 102 G C 0.203 175.114 174.900 0.019 0.000 1.010 102 G CA 0.309 45.420 45.100 0.019 0.000 0.618 102 G HN 0.748 nan 8.290 nan 0.000 0.516 103 S N 0.618 116.333 115.700 0.025 0.000 2.617 103 S HA 0.743 5.212 4.470 -0.000 0.000 0.259 103 S C 0.658 175.278 174.600 0.033 0.000 1.301 103 S CA 0.565 58.778 58.200 0.021 0.000 0.984 103 S CB 1.619 64.830 63.200 0.017 0.000 0.954 103 S HN 1.952 nan 8.310 nan 0.000 0.572 104 A N 0.495 123.332 122.820 0.028 0.000 2.340 104 A HA 0.405 4.724 4.320 -0.000 0.000 0.268 104 A C 0.643 178.256 177.584 0.049 0.000 1.100 104 A CA -0.604 51.452 52.037 0.031 0.000 0.803 104 A CB -0.078 18.934 19.000 0.019 0.000 1.043 104 A HN 0.864 nan 8.150 nan 0.000 0.488 105 D N 1.440 121.866 120.400 0.043 0.000 2.149 105 D HA 0.007 4.647 4.640 -0.000 0.000 0.201 105 D C 1.170 177.485 176.300 0.025 0.000 0.972 105 D CA 1.898 55.924 54.000 0.043 0.000 0.835 105 D CB -0.093 40.694 40.800 -0.021 0.000 0.966 105 D HN 0.607 nan 8.370 nan 0.000 0.476 106 A N 1.195 124.022 122.820 0.012 0.000 3.126 106 A HA 0.442 4.762 4.320 -0.000 0.000 0.268 106 A C 0.284 177.894 177.584 0.043 0.000 1.605 106 A CA -0.406 51.641 52.037 0.016 0.000 1.305 106 A CB -0.596 18.406 19.000 0.003 0.000 1.160 106 A HN 0.035 nan 8.150 nan 0.000 0.609 107 V N -1.612 118.341 119.914 0.066 0.000 3.046 107 V HA 0.662 4.782 4.120 -0.000 0.000 0.316 107 V C -0.017 176.142 176.094 0.110 0.000 1.104 107 V CA -1.457 60.890 62.300 0.078 0.000 1.006 107 V CB 1.555 33.419 31.823 0.067 0.000 1.058 107 V HN 0.584 nan 8.190 nan 0.000 0.440 108 R N 1.545 122.115 120.500 0.117 0.000 2.216 108 R HA 0.592 4.932 4.340 -0.000 0.000 0.332 108 R C -1.209 175.196 176.300 0.174 0.000 1.056 108 R CA 0.174 56.366 56.100 0.153 0.000 0.901 108 R CB 0.078 30.473 30.300 0.160 0.000 1.039 108 R HN 1.024 nan 8.270 nan 0.000 0.456 109 D N 3.672 124.202 120.400 0.215 0.000 2.783 109 D HA 0.225 4.865 4.640 -0.000 0.000 0.253 109 D C -2.867 173.613 176.300 0.300 0.000 1.206 109 D CA -1.164 52.983 54.000 0.246 0.000 0.740 109 D CB 1.866 42.770 40.800 0.173 0.000 1.313 109 D HN 0.208 nan 8.370 nan 0.000 0.427 110 P HA 0.337 nan 4.420 nan 0.000 0.272 110 P C -0.689 176.814 177.300 0.337 0.000 1.230 110 P CA -0.402 62.922 63.100 0.373 0.000 0.788 110 P CB 0.500 32.464 31.700 0.440 0.000 0.949 111 R N 0.865 121.589 120.500 0.373 0.000 2.514 111 R HA 0.541 4.881 4.340 -0.000 0.000 0.301 111 R C 0.470 177.000 176.300 0.384 0.000 0.962 111 R CA -0.719 55.608 56.100 0.378 0.000 0.882 111 R CB 1.193 31.751 30.300 0.431 0.000 1.143 111 R HN 0.613 nan 8.270 nan 0.000 0.452 112 G N 0.894 109.931 108.800 0.395 0.000 2.527 112 G HA2 0.283 4.243 3.960 -0.000 0.000 0.248 112 G HA3 0.283 4.243 3.960 -0.000 0.000 0.248 112 G C -0.901 174.039 174.900 0.067 0.000 1.231 112 G CA -0.053 45.181 45.100 0.223 0.000 0.838 112 G HN 0.463 nan 8.290 nan 0.000 0.570 113 F N 1.935 121.702 119.950 -0.306 0.000 2.708 113 F HA 0.551 5.078 4.527 -0.000 0.000 0.344 113 F C 0.369 175.624 175.800 -0.907 0.000 1.447 113 F CA -1.058 56.650 58.000 -0.486 0.000 1.140 113 F CB 0.549 39.366 39.000 -0.306 0.000 1.657 113 F HN 0.658 nan 8.300 nan 0.000 0.598 114 A N 4.282 126.472 122.820 -1.051 0.000 2.301 114 A HA 0.791 5.111 4.320 -0.000 0.000 0.298 114 A C -0.512 176.088 177.584 -1.641 0.000 1.185 114 A CA -0.250 50.946 52.037 -1.401 0.000 0.830 114 A CB 0.496 18.321 19.000 -1.959 0.000 1.112 114 A HN 0.581 nan 8.150 nan 0.000 0.508 115 M N 2.409 121.204 119.600 -1.342 0.000 2.326 115 M HA 0.401 4.881 4.480 -0.000 0.000 0.306 115 M C -0.442 175.404 176.300 -0.756 0.000 1.054 115 M CA -0.210 54.277 55.300 -1.356 0.000 0.922 115 M CB 2.463 34.039 32.600 -1.708 0.000 1.632 115 M HN 0.692 nan 8.290 nan 0.000 0.436 116 K N 3.060 123.110 120.400 -0.583 0.000 2.450 116 K HA 0.476 4.796 4.320 -0.000 0.000 0.257 116 K C -2.082 174.040 176.600 -0.798 0.000 0.953 116 K CA -0.409 55.557 56.287 -0.533 0.000 0.844 116 K CB 1.166 33.404 32.500 -0.437 0.000 1.103 116 K HN 0.611 nan 8.250 nan 0.000 0.429 117 Y N 3.036 123.106 120.300 -0.384 0.000 2.335 117 Y HA 0.235 4.785 4.550 -0.000 0.000 0.339 117 Y C -0.615 175.188 175.900 -0.163 0.000 0.987 117 Y CA -0.753 57.218 58.100 -0.214 0.000 1.140 117 Y CB 0.895 39.302 38.460 -0.088 0.000 1.173 117 Y HN 0.424 nan 8.280 nan 0.000 0.486 118 Y N 2.178 122.581 120.300 0.171 0.000 2.632 118 Y HA 0.168 4.718 4.550 -0.000 0.000 0.336 118 Y C 0.996 176.961 175.900 0.109 0.000 1.237 118 Y CA -0.934 57.227 58.100 0.103 0.000 1.595 118 Y CB -0.347 38.151 38.460 0.064 0.000 1.508 118 Y HN 0.529 nan 8.280 nan 0.000 0.480 119 T N -2.365 112.316 114.554 0.211 0.000 2.881 119 T HA 0.127 4.477 4.350 -0.000 0.000 0.278 119 T C 1.185 175.946 174.700 0.102 0.000 0.982 119 T CA -0.631 61.551 62.100 0.136 0.000 0.989 119 T CB 1.215 70.123 68.868 0.066 0.000 1.058 119 T HN 0.715 nan 8.240 nan 0.000 0.529 120 E N -0.115 120.126 120.200 0.068 0.000 2.418 120 E HA -0.086 4.264 4.350 -0.000 0.000 0.197 120 E C 0.802 177.429 176.600 0.046 0.000 1.026 120 E CA 0.834 57.268 56.400 0.056 0.000 0.862 120 E CB -0.028 29.698 29.700 0.043 0.000 0.799 120 E HN 0.823 nan 8.360 nan 0.000 0.518 121 E N 0.555 120.775 120.200 0.034 0.000 2.789 121 E HA 0.297 4.647 4.350 -0.000 0.000 0.208 121 E C -0.132 176.489 176.600 0.034 0.000 0.988 121 E CA 0.035 56.451 56.400 0.026 0.000 1.092 121 E CB 1.301 30.999 29.700 -0.003 0.000 1.066 121 E HN 0.355 nan 8.360 nan 0.000 0.465 122 G N 1.279 110.114 108.800 0.058 0.000 2.362 122 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.656 122 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.656 122 G C -1.135 173.817 174.900 0.087 0.000 1.376 122 G CA -1.179 43.959 45.100 0.063 0.000 0.971 122 G HN 0.027 nan 8.290 nan 0.000 0.636 123 N N -0.152 118.590 118.700 0.070 0.000 2.470 123 N HA 0.360 5.100 4.740 -0.000 0.000 0.268 123 N C -0.553 175.032 175.510 0.125 0.000 1.136 123 N CA -0.082 53.002 53.050 0.058 0.000 0.961 123 N CB 0.926 39.391 38.487 -0.037 0.000 1.067 123 N HN 0.595 nan 8.380 nan 0.000 0.468 124 W N 3.585 124.846 121.300 -0.065 0.000 2.308 124 W HA 0.295 4.955 4.660 -0.000 0.000 0.311 124 W C -1.036 175.452 176.519 -0.051 0.000 1.088 124 W CA -0.924 56.383 57.345 -0.063 0.000 1.309 124 W CB 0.321 29.718 29.460 -0.106 0.000 1.229 124 W HN 0.344 nan 8.180 nan 0.000 0.427 125 D N 6.099 126.458 120.400 -0.069 0.000 2.274 125 D HA 0.192 4.831 4.640 -0.000 0.000 0.239 125 D C -0.999 175.003 176.300 -0.497 0.000 1.104 125 D CA -0.324 53.517 54.000 -0.264 0.000 0.840 125 D CB 1.823 42.590 40.800 -0.055 0.000 1.100 125 D HN 0.329 nan 8.370 nan 0.000 0.477 126 L N 3.967 124.724 121.223 -0.777 0.000 2.324 126 L HA 0.262 4.602 4.340 -0.000 0.000 0.274 126 L C -1.001 175.501 176.870 -0.614 0.000 1.012 126 L CA -0.700 53.682 54.840 -0.763 0.000 0.859 126 L CB 1.446 42.844 42.059 -1.101 0.000 1.224 126 L HN 0.073 nan 8.230 nan 0.000 0.429 127 V N 5.905 125.559 119.914 -0.434 0.000 2.258 127 V HA 0.572 4.692 4.120 -0.000 0.000 0.258 127 V C 1.018 176.899 176.094 -0.355 0.000 1.121 127 V CA -0.085 61.930 62.300 -0.474 0.000 0.942 127 V CB 0.081 31.629 31.823 -0.458 0.000 1.170 127 V HN 0.831 nan 8.190 nan 0.000 0.487 128 G N 3.100 111.664 108.800 -0.393 0.000 2.531 128 G HA2 0.571 4.531 3.960 -0.000 0.000 0.313 128 G HA3 0.571 4.531 3.960 -0.000 0.000 0.313 128 G C -0.593 174.213 174.900 -0.157 0.000 1.238 128 G CA -0.491 44.457 45.100 -0.253 0.000 0.994 128 G HN 0.506 nan 8.290 nan 0.000 0.493 129 N N -1.207 117.456 118.700 -0.061 0.000 2.697 129 N HA 0.211 4.951 4.740 -0.000 0.000 0.272 129 N C 0.134 175.744 175.510 0.168 0.000 1.381 129 N CA -0.757 52.346 53.050 0.090 0.000 0.797 129 N CB 1.458 39.993 38.487 0.079 0.000 1.523 129 N HN 0.509 nan 8.380 nan 0.000 0.518 130 N N -0.953 117.932 118.700 0.308 0.000 2.362 130 N HA 0.016 4.756 4.740 -0.000 0.000 0.211 130 N C -0.553 175.257 175.510 0.501 0.000 1.170 130 N CA 0.019 53.343 53.050 0.457 0.000 0.828 130 N CB -0.004 38.798 38.487 0.524 0.000 1.034 130 N HN 0.394 nan 8.380 nan 0.000 0.475 131 T N -0.338 114.229 114.554 0.021 0.000 2.916 131 T HA 0.389 4.739 4.350 -0.000 0.000 0.305 131 T C -2.518 171.374 174.700 -1.347 0.000 1.119 131 T CA -1.650 59.839 62.100 -1.019 0.000 1.008 131 T CB 2.224 70.442 68.868 -1.083 0.000 1.129 131 T HN -0.162 nan 8.240 nan 0.000 0.480 132 P HA 0.152 nan 4.420 nan 0.000 0.236 132 P C 0.387 177.094 177.300 -0.989 0.000 1.177 132 P CA 0.332 62.526 63.100 -1.509 0.000 0.773 132 P CB -0.040 30.745 31.700 -1.526 0.000 0.878 133 V N -4.452 114.838 119.914 -1.040 0.000 3.126 133 V HA 0.703 4.823 4.120 -0.000 0.000 0.314 133 V C -0.727 175.066 176.094 -0.501 0.000 1.138 133 V CA -1.343 60.497 62.300 -0.768 0.000 1.034 133 V CB 2.175 33.413 31.823 -0.974 0.000 1.075 133 V HN -0.100 nan 8.190 nan 0.000 0.442 134 F N -0.645 118.973 119.950 -0.554 0.000 2.691 134 F HA 0.640 5.167 4.527 -0.000 0.000 0.334 134 F C 0.476 176.011 175.800 -0.442 0.000 1.107 134 F CA -0.998 56.714 58.000 -0.480 0.000 0.991 134 F CB 2.166 41.026 39.000 -0.234 0.000 1.400 134 F HN 0.476 nan 8.300 nan 0.000 0.503 135 F N 1.985 121.347 119.950 -0.980 0.000 2.558 135 F HA 0.157 4.683 4.527 -0.000 0.000 0.298 135 F C 0.431 176.012 175.800 -0.364 0.000 1.119 135 F CA 0.527 58.092 58.000 -0.725 0.000 1.451 135 F CB -0.043 38.300 39.000 -1.095 0.000 1.091 135 F HN 0.104 nan 8.300 nan 0.000 0.563 136 I N -2.358 118.215 120.570 0.005 0.000 3.074 136 I HA 0.490 4.660 4.170 -0.000 0.000 0.310 136 I C 0.396 176.559 176.117 0.077 0.000 1.153 136 I CA -1.091 60.256 61.300 0.078 0.000 0.993 136 I CB 2.354 40.494 38.000 0.232 0.000 1.237 136 I HN -0.071 nan 8.210 nan 0.000 0.443 137 R N 0.191 120.667 120.500 -0.039 0.000 2.531 137 R HA 0.390 4.730 4.340 -0.000 0.000 0.316 137 R C -0.793 175.508 176.300 0.002 0.000 0.955 137 R CA -0.323 55.716 56.100 -0.102 0.000 1.120 137 R CB 0.486 30.535 30.300 -0.419 0.000 1.361 137 R HN 0.701 nan 8.270 nan 0.000 0.534 138 D N 0.451 120.892 120.400 0.069 0.000 2.757 138 D HA 0.336 4.976 4.640 -0.000 0.000 0.249 138 D C 0.430 176.828 176.300 0.164 0.000 1.168 138 D CA -0.428 53.663 54.000 0.152 0.000 0.870 138 D CB 2.302 43.212 40.800 0.183 0.000 1.411 138 D HN 0.050 nan 8.370 nan 0.000 0.525 139 A N 4.151 127.056 122.820 0.141 0.000 2.070 139 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 139 A C 2.140 179.832 177.584 0.179 0.000 1.159 139 A CA 0.687 52.812 52.037 0.146 0.000 0.656 139 A CB -0.492 18.552 19.000 0.073 0.000 0.800 139 A HN 0.753 nan 8.150 nan 0.000 0.453 140 I N -1.071 119.586 120.570 0.146 0.000 2.530 140 I HA -0.206 3.964 4.170 -0.000 0.000 0.257 140 I C 1.378 177.585 176.117 0.150 0.000 1.179 140 I CA 1.226 62.603 61.300 0.129 0.000 1.440 140 I CB 0.081 38.137 38.000 0.093 0.000 1.087 140 I HN 0.075 nan 8.210 nan 0.000 0.440 141 K N 0.001 120.521 120.400 0.200 0.000 2.459 141 K HA -0.059 4.260 4.320 -0.000 0.000 0.193 141 K C 1.621 178.369 176.600 0.247 0.000 1.030 141 K CA 0.569 57.001 56.287 0.241 0.000 1.026 141 K CB -0.568 32.129 32.500 0.327 0.000 0.809 141 K HN 0.336 nan 8.250 nan 0.000 0.504 142 F N 2.711 122.735 119.950 0.124 0.000 2.095 142 F HA -0.145 4.382 4.527 -0.000 0.000 0.298 142 F C -0.906 174.883 175.800 -0.018 0.000 1.104 142 F CA 1.419 59.503 58.000 0.139 0.000 1.232 142 F CB -0.617 38.458 39.000 0.125 0.000 0.987 142 F HN 0.062 nan 8.300 nan 0.000 0.475 143 P HA -0.149 nan 4.420 nan 0.000 0.218 143 P C 1.004 177.875 177.300 -0.714 0.000 1.148 143 P CA 1.819 64.643 63.100 -0.460 0.000 0.822 143 P CB -0.081 31.418 31.700 -0.336 0.000 0.784 144 D N -1.268 118.889 120.400 -0.405 0.000 2.097 144 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 144 D C 1.845 177.717 176.300 -0.714 0.000 0.984 144 D CA 1.022 54.792 54.000 -0.383 0.000 0.826 144 D CB -0.811 39.968 40.800 -0.034 0.000 0.973 144 D HN 0.194 nan 8.370 nan 0.000 0.460 145 F N 1.770 121.117 119.950 -1.005 0.000 2.102 145 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 145 F C 2.177 177.442 175.800 -0.892 0.000 1.105 145 F CA 1.100 58.275 58.000 -1.375 0.000 1.239 145 F CB 0.015 38.518 39.000 -0.829 0.000 0.991 145 F HN -0.195 nan 8.300 nan 0.000 0.474 146 I N 0.621 120.543 120.570 -1.079 0.000 2.226 146 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 146 I C 2.384 178.128 176.117 -0.621 0.000 1.100 146 I CA 1.684 62.400 61.300 -0.975 0.000 1.374 146 I CB -1.869 35.637 38.000 -0.825 0.000 1.057 146 I HN 0.355 nan 8.210 nan 0.000 0.413 147 H N 0.525 119.252 119.070 -0.572 0.000 2.353 147 H HA -0.174 4.382 4.556 -0.000 0.000 0.298 147 H C 2.258 177.296 175.328 -0.482 0.000 1.103 147 H CA 1.938 57.728 56.048 -0.428 0.000 1.293 147 H CB 0.057 29.631 29.762 -0.313 0.000 1.372 147 H HN 0.446 nan 8.280 nan 0.000 0.501 148 T N -1.161 113.093 114.554 -0.500 0.000 2.995 148 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 148 T C 1.769 176.093 174.700 -0.627 0.000 1.091 148 T CA 0.635 62.418 62.100 -0.529 0.000 1.128 148 T CB 0.116 68.637 68.868 -0.579 0.000 0.891 148 T HN 0.244 nan 8.240 nan 0.000 0.492 149 Q N 0.593 119.924 119.800 -0.783 0.000 2.389 149 Q HA 0.261 4.601 4.340 -0.000 0.000 0.204 149 Q C 1.130 176.844 176.000 -0.478 0.000 0.944 149 Q CA 0.618 55.986 55.803 -0.725 0.000 0.908 149 Q CB 0.264 28.443 28.738 -0.932 0.000 1.002 149 Q HN 0.637 nan 8.270 nan 0.000 0.493 150 K N 0.220 120.376 120.400 -0.406 0.000 2.552 150 K HA 0.358 4.678 4.320 -0.000 0.000 0.288 150 K C 0.202 176.655 176.600 -0.245 0.000 0.976 150 K CA -0.657 55.459 56.287 -0.286 0.000 1.407 150 K CB 0.543 32.896 32.500 -0.245 0.000 1.832 150 K HN -0.137 nan 8.250 nan 0.000 0.806 151 R N 1.675 122.054 120.500 -0.201 0.000 2.428 151 R HA 0.105 4.445 4.340 -0.000 0.000 0.294 151 R C -0.489 175.709 176.300 -0.170 0.000 1.000 151 R CA -0.625 55.374 56.100 -0.169 0.000 0.960 151 R CB 0.704 30.924 30.300 -0.133 0.000 1.076 151 R HN 0.547 nan 8.270 nan 0.000 0.475 152 D N 4.011 124.326 120.400 -0.141 0.000 2.533 152 D HA -0.044 4.596 4.640 -0.000 0.000 0.236 152 D C -1.262 174.967 176.300 -0.118 0.000 1.137 152 D CA -0.951 52.978 54.000 -0.119 0.000 0.867 152 D CB 1.085 41.835 40.800 -0.082 0.000 1.170 152 D HN 0.293 nan 8.370 nan 0.000 0.474 153 P HA -0.141 nan 4.420 nan 0.000 0.226 153 P C 1.055 178.302 177.300 -0.088 0.000 1.153 153 P CA 1.004 64.027 63.100 -0.128 0.000 0.777 153 P CB 0.360 31.975 31.700 -0.143 0.000 0.794 154 Q N 0.476 120.234 119.800 -0.069 0.000 2.159 154 Q HA -0.039 4.301 4.340 -0.000 0.000 0.194 154 Q C 2.020 177.993 176.000 -0.045 0.000 0.968 154 Q CA 1.819 57.592 55.803 -0.050 0.000 0.837 154 Q CB -0.311 28.405 28.738 -0.037 0.000 0.920 154 Q HN 0.193 nan 8.270 nan 0.000 0.485 155 T N -2.132 112.396 114.554 -0.044 0.000 3.067 155 T HA 0.035 4.385 4.350 -0.000 0.000 0.257 155 T C 0.721 175.394 174.700 -0.045 0.000 1.105 155 T CA 0.761 62.839 62.100 -0.037 0.000 1.104 155 T CB -0.113 68.738 68.868 -0.028 0.000 0.925 155 T HN 0.533 nan 8.240 nan 0.000 0.498 156 N N 0.078 118.741 118.700 -0.061 0.000 2.741 156 N HA -0.122 4.618 4.740 -0.000 0.000 0.250 156 N C -0.908 174.562 175.510 -0.067 0.000 1.115 156 N CA 0.548 53.557 53.050 -0.068 0.000 0.724 156 N CB -1.985 36.469 38.487 -0.055 0.000 1.090 156 N HN 0.661 nan 8.380 nan 0.000 0.558 157 L N -0.327 120.856 121.223 -0.067 0.000 2.330 157 L HA 0.661 5.001 4.340 -0.000 0.000 0.271 157 L C -1.892 174.920 176.870 -0.096 0.000 1.013 157 L CA -2.152 52.648 54.840 -0.066 0.000 0.816 157 L CB 1.392 43.427 42.059 -0.040 0.000 1.287 157 L HN -0.134 nan 8.230 nan 0.000 0.435 158 P HA 0.008 nan 4.420 nan 0.000 0.267 158 P C -1.117 176.091 177.300 -0.154 0.000 1.200 158 P CA -0.053 62.940 63.100 -0.179 0.000 0.772 158 P CB 0.393 31.966 31.700 -0.212 0.000 0.855 159 N N 1.239 119.822 118.700 -0.195 0.000 2.540 159 N HA 0.114 4.854 4.740 -0.000 0.000 0.275 159 N C 0.388 175.831 175.510 -0.112 0.000 1.053 159 N CA -0.295 52.701 53.050 -0.091 0.000 0.876 159 N CB 0.346 38.791 38.487 -0.070 0.000 1.284 159 N HN 0.269 nan 8.380 nan 0.000 0.518 160 H N 1.157 120.223 119.070 -0.006 0.000 2.456 160 H HA -0.013 4.542 4.556 -0.000 0.000 0.296 160 H C 0.716 176.159 175.328 0.191 0.000 1.079 160 H CA 1.353 57.464 56.048 0.106 0.000 1.322 160 H CB 0.558 30.463 29.762 0.239 0.000 1.388 160 H HN 0.555 nan 8.280 nan 0.000 0.538 161 D N 0.098 120.656 120.400 0.264 0.000 2.123 161 D HA -0.153 4.487 4.640 -0.000 0.000 0.196 161 D C 2.050 178.433 176.300 0.138 0.000 0.992 161 D CA 1.114 55.262 54.000 0.246 0.000 0.833 161 D CB -0.131 40.818 40.800 0.248 0.000 0.954 161 D HN 0.411 nan 8.370 nan 0.000 0.455 162 M N 0.012 119.622 119.600 0.016 0.000 2.099 162 M HA -0.124 4.356 4.480 -0.000 0.000 0.262 162 M C 2.412 178.608 176.300 -0.174 0.000 1.067 162 M CA 0.798 56.053 55.300 -0.075 0.000 1.124 162 M CB -0.293 32.211 32.600 -0.158 0.000 1.353 162 M HN -0.114 nan 8.290 nan 0.000 0.410 163 V N -0.635 119.088 119.914 -0.319 0.000 2.252 163 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 163 V C 1.775 177.493 176.094 -0.627 0.000 1.056 163 V CA 2.195 64.064 62.300 -0.719 0.000 1.022 163 V CB -0.662 30.633 31.823 -0.880 0.000 0.641 163 V HN 0.571 nan 8.190 nan 0.000 0.445 164 W N -0.530 120.740 121.300 -0.050 0.000 2.640 164 W HA 0.028 4.688 4.660 -0.000 0.000 0.268 164 W C 2.242 178.838 176.519 0.129 0.000 1.263 164 W CA 0.628 58.064 57.345 0.151 0.000 1.344 164 W CB -0.278 29.315 29.460 0.223 0.000 1.093 164 W HN 0.262 nan 8.180 nan 0.000 0.603 165 D N 0.243 120.790 120.400 0.247 0.000 2.104 165 D HA -0.275 4.365 4.640 -0.000 0.000 0.194 165 D C 1.817 178.201 176.300 0.140 0.000 0.994 165 D CA 1.461 55.555 54.000 0.156 0.000 0.830 165 D CB -0.466 40.386 40.800 0.086 0.000 0.959 165 D HN 0.121 nan 8.370 nan 0.000 0.452 166 F N -0.415 119.508 119.950 -0.045 0.000 2.084 166 F HA -0.117 4.410 4.527 -0.000 0.000 0.296 166 F C 1.973 177.832 175.800 0.099 0.000 1.111 166 F CA 1.335 59.307 58.000 -0.046 0.000 1.224 166 F CB -0.296 38.597 39.000 -0.178 0.000 0.991 166 F HN 0.022 nan 8.300 nan 0.000 0.471 167 W N 0.954 122.319 121.300 0.108 0.000 2.342 167 W HA -0.170 4.490 4.660 -0.000 0.000 0.297 167 W C 3.053 179.576 176.519 0.007 0.000 1.213 167 W CA 1.722 59.078 57.345 0.019 0.000 1.251 167 W CB -1.741 27.741 29.460 0.037 0.000 1.136 167 W HN 0.264 nan 8.180 nan 0.000 0.526 168 S N -0.473 115.444 115.700 0.362 0.000 2.423 168 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 168 S C 1.394 176.109 174.600 0.192 0.000 1.014 168 S CA 1.046 59.433 58.200 0.312 0.000 0.965 168 S CB -0.584 62.772 63.200 0.260 0.000 0.785 168 S HN 0.217 nan 8.310 nan 0.000 0.495 169 N N 0.759 119.462 118.700 0.006 0.000 2.336 169 N HA 0.170 4.909 4.740 -0.000 0.000 0.189 169 N C -0.613 174.740 175.510 -0.261 0.000 1.113 169 N CA 0.317 53.306 53.050 -0.101 0.000 0.858 169 N CB 1.061 39.480 38.487 -0.114 0.000 0.970 169 N HN 0.271 nan 8.380 nan 0.000 0.471 170 V N 2.931 122.633 119.914 -0.354 0.000 2.384 170 V HA 0.183 4.303 4.120 -0.000 0.000 0.257 170 V C -1.756 174.049 176.094 -0.482 0.000 0.969 170 V CA -0.940 61.078 62.300 -0.470 0.000 0.910 170 V CB 1.960 33.367 31.823 -0.694 0.000 1.150 170 V HN -0.057 nan 8.190 nan 0.000 0.481 171 P HA -0.144 nan 4.420 nan 0.000 0.223 171 P C 1.354 178.176 177.300 -0.797 0.000 1.151 171 P CA 1.001 63.535 63.100 -0.942 0.000 0.787 171 P CB 0.405 31.360 31.700 -1.242 0.000 0.788 172 E N 1.175 120.918 120.200 -0.762 0.000 2.331 172 E HA -0.143 4.206 4.350 -0.000 0.000 0.199 172 E C 1.543 178.006 176.600 -0.228 0.000 1.008 172 E CA 1.525 57.732 56.400 -0.323 0.000 0.843 172 E CB -1.121 28.459 29.700 -0.200 0.000 0.761 172 E HN 0.353 nan 8.360 nan 0.000 0.507 173 S N 0.573 116.121 115.700 -0.253 0.000 2.547 173 S HA -0.083 4.387 4.470 -0.000 0.000 0.235 173 S C 1.887 176.371 174.600 -0.194 0.000 0.980 173 S CA 0.509 58.600 58.200 -0.182 0.000 0.941 173 S CB -0.375 62.754 63.200 -0.118 0.000 0.763 173 S HN 0.200 nan 8.310 nan 0.000 0.532 174 L N 0.814 121.947 121.223 -0.151 0.000 2.042 174 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 174 L C 2.253 179.195 176.870 0.120 0.000 1.076 174 L CA 1.733 56.567 54.840 -0.010 0.000 0.749 174 L CB -1.229 40.856 42.059 0.044 0.000 0.893 174 L HN 0.354 nan 8.230 nan 0.000 0.432 175 Y N 0.168 120.425 120.300 -0.071 0.000 2.114 175 Y HA -0.289 4.261 4.550 -0.000 0.000 0.284 175 Y C 2.786 178.580 175.900 -0.177 0.000 1.143 175 Y CA 2.162 60.215 58.100 -0.077 0.000 1.135 175 Y CB -0.706 37.663 38.460 -0.152 0.000 0.980 175 Y HN 0.405 nan 8.280 nan 0.000 0.499 176 Q N -0.134 119.534 119.800 -0.220 0.000 2.230 176 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 176 Q C 2.165 177.949 176.000 -0.360 0.000 0.963 176 Q CA 1.516 56.982 55.803 -0.560 0.000 0.866 176 Q CB -0.605 27.337 28.738 -1.326 0.000 0.931 176 Q HN 0.335 nan 8.270 nan 0.000 0.452 177 V N 0.057 119.835 119.914 -0.227 0.000 2.287 177 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 177 V C 2.084 178.282 176.094 0.172 0.000 1.053 177 V CA 2.258 64.482 62.300 -0.128 0.000 1.027 177 V CB -0.972 30.667 31.823 -0.306 0.000 0.646 177 V HN 0.442 nan 8.190 nan 0.000 0.447 178 T N -1.074 113.664 114.554 0.307 0.000 2.821 178 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 178 T C 1.549 176.493 174.700 0.407 0.000 1.046 178 T CA 1.520 63.887 62.100 0.444 0.000 1.139 178 T CB -0.302 68.906 68.868 0.567 0.000 0.871 178 T HN 0.680 nan 8.240 nan 0.000 0.454 179 W N 1.409 122.763 121.300 0.089 0.000 2.354 179 W HA -0.099 4.561 4.660 -0.000 0.000 0.315 179 W C 2.182 178.736 176.519 0.057 0.000 1.206 179 W CA 0.720 58.056 57.345 -0.015 0.000 1.290 179 W CB -0.757 28.521 29.460 -0.303 0.000 1.152 179 W HN 0.056 nan 8.180 nan 0.000 0.489 180 V N 1.796 121.891 119.914 0.302 0.000 2.759 180 V HA -0.247 3.873 4.120 -0.000 0.000 0.256 180 V C 2.053 178.278 176.094 0.219 0.000 1.080 180 V CA 1.446 63.914 62.300 0.281 0.000 1.101 180 V CB -0.321 31.714 31.823 0.353 0.000 0.698 180 V HN 0.068 nan 8.190 nan 0.000 0.477 181 M N -0.143 119.588 119.600 0.217 0.000 2.502 181 M HA 0.167 4.646 4.480 -0.000 0.000 0.243 181 M C 1.278 177.644 176.300 0.109 0.000 1.130 181 M CA 0.499 55.923 55.300 0.207 0.000 1.055 181 M CB -0.650 32.121 32.600 0.285 0.000 1.457 181 M HN 0.597 nan 8.290 nan 0.000 0.488 182 S N -0.106 115.627 115.700 0.055 0.000 2.607 182 S HA 0.164 4.634 4.470 -0.000 0.000 0.272 182 S C 0.835 175.352 174.600 -0.139 0.000 1.166 182 S CA -0.393 57.766 58.200 -0.068 0.000 1.021 182 S CB 0.895 64.055 63.200 -0.066 0.000 1.113 182 S HN 0.137 nan 8.310 nan 0.000 0.531 183 D N 0.308 120.550 120.400 -0.263 0.000 2.263 183 D HA 0.006 4.646 4.640 -0.000 0.000 0.208 183 D C 1.954 178.146 176.300 -0.179 0.000 0.971 183 D CA 0.555 54.346 54.000 -0.348 0.000 0.867 183 D CB -0.200 40.200 40.800 -0.667 0.000 0.929 183 D HN 0.339 nan 8.370 nan 0.000 0.492 184 R N 0.328 120.684 120.500 -0.239 0.000 2.193 184 R HA -0.032 4.308 4.340 -0.000 0.000 0.229 184 R C 2.165 178.473 176.300 0.013 0.000 1.110 184 R CA 0.816 56.791 56.100 -0.208 0.000 0.988 184 R CB -0.912 28.920 30.300 -0.780 0.000 0.871 184 R HN 0.216 nan 8.270 nan 0.000 0.458 185 G N 0.950 109.769 108.800 0.031 0.000 2.432 185 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.219 185 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.219 185 G C 0.820 175.819 174.900 0.165 0.000 1.135 185 G CA 0.356 45.542 45.100 0.143 0.000 0.767 185 G HN 0.263 nan 8.290 nan 0.000 0.550 186 I N 1.729 122.383 120.570 0.140 0.000 2.521 186 I HA 0.263 4.433 4.170 -0.000 0.000 0.277 186 I C -2.597 173.611 176.117 0.152 0.000 1.054 186 I CA -2.174 59.212 61.300 0.144 0.000 1.117 186 I CB 2.473 40.546 38.000 0.122 0.000 1.217 186 I HN -0.146 nan 8.210 nan 0.000 0.469 187 P HA 0.081 nan 4.420 nan 0.000 0.272 187 P C 0.616 177.969 177.300 0.090 0.000 1.223 187 P CA -0.381 62.819 63.100 0.167 0.000 0.784 187 P CB 1.198 33.033 31.700 0.224 0.000 0.923 188 K N 0.961 121.398 120.400 0.061 0.000 2.103 188 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 188 K C 0.514 177.118 176.600 0.006 0.000 1.048 188 K CA 1.465 57.732 56.287 -0.034 0.000 0.930 188 K CB 0.023 32.397 32.500 -0.210 0.000 0.716 188 K HN 0.695 nan 8.250 nan 0.000 0.444 189 S N -3.045 112.717 115.700 0.104 0.000 2.636 189 S HA 0.178 4.648 4.470 -0.000 0.000 0.266 189 S C 0.389 175.013 174.600 0.041 0.000 1.147 189 S CA -0.934 57.270 58.200 0.008 0.000 0.815 189 S CB -0.265 63.016 63.200 0.134 0.000 1.119 189 S HN 0.085 nan 8.310 nan 0.000 0.470 190 F N 0.945 120.889 119.950 -0.010 0.000 2.365 190 F HA 0.074 4.601 4.527 -0.000 0.000 0.300 190 F C 2.553 178.263 175.800 -0.150 0.000 1.090 190 F CA 0.525 58.379 58.000 -0.243 0.000 1.408 190 F CB -0.105 38.509 39.000 -0.643 0.000 1.060 190 F HN 0.382 nan 8.300 nan 0.000 0.534 191 R N -0.752 119.786 120.500 0.064 0.000 2.276 191 R HA -0.026 4.314 4.340 -0.000 0.000 0.203 191 R C 0.167 176.238 176.300 -0.382 0.000 1.017 191 R CA 0.691 56.690 56.100 -0.167 0.000 1.010 191 R CB -0.297 29.784 30.300 -0.365 0.000 0.900 191 R HN 0.386 nan 8.270 nan 0.000 0.469 192 H N -0.105 119.031 119.070 0.109 0.000 2.467 192 H HA 0.230 4.786 4.556 -0.000 0.000 0.275 192 H C -0.056 175.393 175.328 0.202 0.000 1.131 192 H CA -0.358 55.749 56.048 0.099 0.000 0.989 192 H CB 0.303 30.096 29.762 0.051 0.000 1.696 192 H HN 0.084 nan 8.280 nan 0.000 0.574 193 M N -1.559 118.284 119.600 0.404 0.000 2.572 193 M HA 0.530 5.010 4.480 -0.000 0.000 0.299 193 M C -1.413 175.268 176.300 0.635 0.000 1.205 193 M CA -1.092 54.493 55.300 0.475 0.000 0.876 193 M CB 2.692 35.579 32.600 0.479 0.000 1.728 193 M HN -0.233 nan 8.290 nan 0.000 0.458 194 D N 1.071 121.778 120.400 0.512 0.000 2.383 194 D HA 0.660 5.300 4.640 -0.000 0.000 0.248 194 D C -0.236 176.016 176.300 -0.080 0.000 1.170 194 D CA 0.136 54.341 54.000 0.341 0.000 0.977 194 D CB 1.631 42.547 40.800 0.193 0.000 1.120 194 D HN 0.866 nan 8.370 nan 0.000 0.481 195 G N -0.538 107.760 108.800 -0.836 0.000 2.519 195 G HA2 0.642 4.602 3.960 -0.000 0.000 0.307 195 G HA3 0.642 4.602 3.960 -0.000 0.000 0.307 195 G C -1.499 172.726 174.900 -1.126 0.000 1.266 195 G CA -0.537 43.566 45.100 -1.661 0.000 0.970 195 G HN 0.262 nan 8.290 nan 0.000 0.481 196 F N -0.636 119.048 119.950 -0.444 0.000 2.608 196 F HA 0.478 5.005 4.527 -0.000 0.000 0.309 196 F C 1.169 176.848 175.800 -0.202 0.000 1.103 196 F CA -0.418 57.422 58.000 -0.266 0.000 0.954 196 F CB 2.364 41.142 39.000 -0.371 0.000 1.267 196 F HN 0.622 nan 8.300 nan 0.000 0.444 197 G N 0.275 109.165 108.800 0.150 0.000 2.443 197 G HA2 0.103 4.063 3.960 -0.000 0.000 0.219 197 G HA3 0.103 4.063 3.960 -0.000 0.000 0.219 197 G C 0.907 175.861 174.900 0.091 0.000 1.131 197 G CA 1.036 46.268 45.100 0.221 0.000 0.775 197 G HN 0.750 nan 8.290 nan 0.000 0.547 198 S N -0.983 114.655 115.700 -0.104 0.000 2.260 198 S HA -0.237 4.233 4.470 -0.000 0.000 0.243 198 S C 0.798 175.167 174.600 -0.385 0.000 1.065 198 S CA 1.291 59.264 58.200 -0.377 0.000 2.199 198 S CB -1.306 61.578 63.200 -0.525 0.000 1.307 198 S HN 0.702 nan 8.310 nan 0.000 0.497 199 H N 2.599 121.593 119.070 -0.127 0.000 2.771 199 H HA 0.295 4.851 4.556 -0.000 0.000 0.364 199 H C 0.517 175.676 175.328 -0.282 0.000 1.133 199 H CA 0.855 56.738 56.048 -0.275 0.000 1.423 199 H CB -0.055 29.395 29.762 -0.520 0.000 1.425 199 H HN 0.400 nan 8.280 nan 0.000 0.606 200 T N 3.502 117.966 114.554 -0.150 0.000 2.888 200 T HA 0.154 4.504 4.350 -0.000 0.000 0.301 200 T C 0.250 174.884 174.700 -0.109 0.000 1.001 200 T CA 0.345 62.394 62.100 -0.085 0.000 1.147 200 T CB -0.188 68.727 68.868 0.078 0.000 0.931 200 T HN 0.236 nan 8.240 nan 0.000 0.541 201 F N 0.659 120.759 119.950 0.250 0.000 2.671 201 F HA 0.630 5.157 4.527 -0.000 0.000 0.373 201 F C 0.831 176.885 175.800 0.422 0.000 1.122 201 F CA -0.975 57.237 58.000 0.353 0.000 1.082 201 F CB 1.313 40.579 39.000 0.443 0.000 1.399 201 F HN 0.518 nan 8.300 nan 0.000 0.509 202 S N 0.481 116.510 115.700 0.549 0.000 2.566 202 S HA 0.839 5.309 4.470 -0.000 0.000 0.298 202 S C -1.281 173.430 174.600 0.185 0.000 1.083 202 S CA -0.837 57.545 58.200 0.302 0.000 0.978 202 S CB 1.574 64.826 63.200 0.087 0.000 1.073 202 S HN 0.499 nan 8.310 nan 0.000 0.491 203 L N 1.964 123.262 121.223 0.125 0.000 2.346 203 L HA 0.618 4.958 4.340 -0.000 0.000 0.274 203 L C -0.908 176.042 176.870 0.133 0.000 1.007 203 L CA -1.060 53.860 54.840 0.133 0.000 0.818 203 L CB 1.513 43.662 42.059 0.150 0.000 1.284 203 L HN 0.552 nan 8.230 nan 0.000 0.424 204 I N 2.316 122.941 120.570 0.092 0.000 2.436 204 I HA 0.297 4.467 4.170 -0.000 0.000 0.289 204 I C -0.325 175.861 176.117 0.114 0.000 1.010 204 I CA -0.658 60.683 61.300 0.068 0.000 1.098 204 I CB 1.438 39.429 38.000 -0.015 0.000 1.266 204 I HN 0.642 nan 8.210 nan 0.000 0.434 205 N N 4.722 123.522 118.700 0.167 0.000 2.448 205 N HA 0.372 5.112 4.740 -0.000 0.000 0.274 205 N C 0.804 176.358 175.510 0.072 0.000 1.239 205 N CA -0.364 52.771 53.050 0.141 0.000 0.982 205 N CB 0.686 39.302 38.487 0.216 0.000 1.199 205 N HN 0.546 nan 8.380 nan 0.000 0.576 206 A N -0.293 122.558 122.820 0.052 0.000 2.070 206 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 206 A C 1.573 179.172 177.584 0.024 0.000 1.159 206 A CA 1.231 53.286 52.037 0.030 0.000 0.656 206 A CB -0.637 18.376 19.000 0.022 0.000 0.800 206 A HN 0.749 nan 8.150 nan 0.000 0.453 207 K N -1.495 118.924 120.400 0.032 0.000 2.444 207 K HA 0.255 4.575 4.320 -0.000 0.000 0.193 207 K C 1.005 177.610 176.600 0.008 0.000 1.024 207 K CA 0.476 56.776 56.287 0.020 0.000 1.077 207 K CB 0.041 32.557 32.500 0.026 0.000 0.833 207 K HN 0.609 nan 8.250 nan 0.000 0.517 208 G N 1.841 110.646 108.800 0.009 0.000 2.136 208 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.242 208 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.242 208 G C -0.501 174.367 174.900 -0.053 0.000 0.989 208 G CA -0.106 44.985 45.100 -0.016 0.000 0.682 208 G HN 0.379 nan 8.290 nan 0.000 0.522 209 E N -0.068 120.097 120.200 -0.058 0.000 2.331 209 E HA 0.438 4.788 4.350 -0.000 0.000 0.272 209 E C 0.593 176.995 176.600 -0.331 0.000 1.036 209 E CA -0.517 55.756 56.400 -0.210 0.000 0.864 209 E CB 1.019 30.587 29.700 -0.219 0.000 1.035 209 E HN 0.396 nan 8.360 nan 0.000 0.408 210 R N 2.814 122.990 120.500 -0.540 0.000 2.532 210 R HA 0.424 4.764 4.340 -0.000 0.000 0.295 210 R C -1.409 174.304 176.300 -0.979 0.000 0.968 210 R CA -0.400 55.359 56.100 -0.569 0.000 0.916 210 R CB 0.632 30.613 30.300 -0.532 0.000 1.124 210 R HN 0.360 nan 8.270 nan 0.000 0.463 211 F N 2.321 122.074 119.950 -0.328 0.000 2.551 211 F HA 0.423 4.950 4.527 -0.000 0.000 0.316 211 F C -0.715 174.899 175.800 -0.310 0.000 1.089 211 F CA -0.703 57.104 58.000 -0.322 0.000 0.915 211 F CB 1.171 40.071 39.000 -0.167 0.000 1.186 211 F HN 0.462 nan 8.300 nan 0.000 0.456 212 W N 2.364 123.766 121.300 0.170 0.000 2.261 212 W HA 0.620 5.280 4.660 -0.000 0.000 0.323 212 W C -0.473 176.191 176.519 0.242 0.000 1.243 212 W CA -0.807 56.671 57.345 0.221 0.000 1.210 212 W CB 0.998 30.608 29.460 0.250 0.000 1.149 212 W HN 0.294 nan 8.180 nan 0.000 0.562 213 V N 3.856 124.022 119.914 0.420 0.000 2.925 213 V HA 0.503 4.623 4.120 -0.000 0.000 0.311 213 V C -0.933 174.988 176.094 -0.287 0.000 1.104 213 V CA -1.209 61.088 62.300 -0.006 0.000 0.954 213 V CB 2.037 33.695 31.823 -0.275 0.000 1.022 213 V HN 0.420 nan 8.190 nan 0.000 0.427 214 K N 4.909 125.016 120.400 -0.489 0.000 2.324 214 K HA 0.533 4.853 4.320 -0.000 0.000 0.253 214 K C -1.551 174.819 176.600 -0.384 0.000 0.932 214 K CA -0.243 55.757 56.287 -0.479 0.000 0.799 214 K CB 2.080 34.251 32.500 -0.548 0.000 1.154 214 K HN 0.525 nan 8.250 nan 0.000 0.425 215 F N 2.184 122.137 119.950 0.005 0.000 2.420 215 F HA 0.325 4.852 4.527 -0.000 0.000 0.342 215 F C 0.886 176.571 175.800 -0.191 0.000 1.113 215 F CA -0.378 57.598 58.000 -0.040 0.000 1.059 215 F CB 1.008 40.027 39.000 0.031 0.000 1.128 215 F HN 0.262 nan 8.300 nan 0.000 0.475 216 H N 3.426 122.393 119.070 -0.172 0.000 2.589 216 H HA 0.368 4.924 4.556 -0.000 0.000 0.351 216 H C -1.464 173.484 175.328 -0.634 0.000 1.074 216 H CA -0.708 55.136 56.048 -0.341 0.000 1.203 216 H CB 2.037 31.611 29.762 -0.312 0.000 1.558 216 H HN 0.431 nan 8.280 nan 0.000 0.522 217 F N 2.156 121.861 119.950 -0.409 0.000 2.434 217 F HA 0.231 4.758 4.527 -0.000 0.000 0.355 217 F C 0.401 176.246 175.800 0.075 0.000 1.115 217 F CA -0.520 57.388 58.000 -0.152 0.000 1.010 217 F CB 0.796 39.626 39.000 -0.284 0.000 1.234 217 F HN 0.462 nan 8.300 nan 0.000 0.439 218 H N 0.748 120.002 119.070 0.306 0.000 2.517 218 H HA 0.211 4.767 4.556 -0.000 0.000 0.317 218 H C 0.396 175.902 175.328 0.297 0.000 1.080 218 H CA -0.763 55.445 56.048 0.266 0.000 1.301 218 H CB 1.508 31.363 29.762 0.155 0.000 1.425 218 H HN 0.468 nan 8.280 nan 0.000 0.471 219 T N 3.339 118.096 114.554 0.339 0.000 2.888 219 T HA -0.016 4.334 4.350 -0.000 0.000 0.301 219 T C 1.362 175.979 174.700 -0.139 0.000 1.001 219 T CA -0.394 61.588 62.100 -0.197 0.000 1.147 219 T CB 0.388 69.157 68.868 -0.164 0.000 0.931 219 T HN 0.628 nan 8.240 nan 0.000 0.541 220 M N 3.407 122.846 119.600 -0.268 0.000 2.595 220 M HA 0.047 4.527 4.480 -0.000 0.000 0.248 220 M C 1.474 177.689 176.300 -0.142 0.000 1.119 220 M CA 0.615 55.838 55.300 -0.129 0.000 1.079 220 M CB -0.010 32.534 32.600 -0.095 0.000 1.472 220 M HN 0.605 nan 8.290 nan 0.000 0.501 221 Q N 0.494 120.156 119.800 -0.231 0.000 2.392 221 Q HA 0.300 4.640 4.340 -0.000 0.000 0.203 221 Q C 0.537 176.557 176.000 0.034 0.000 0.917 221 Q CA 0.308 56.018 55.803 -0.156 0.000 0.939 221 Q CB 0.617 29.113 28.738 -0.404 0.000 1.063 221 Q HN 0.533 nan 8.270 nan 0.000 0.516 222 G N -0.374 108.444 108.800 0.031 0.000 2.785 222 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 222 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 222 G C -0.754 174.247 174.900 0.169 0.000 1.155 222 G CA -0.728 44.429 45.100 0.095 0.000 0.760 222 G HN 0.030 nan 8.290 nan 0.000 0.624 223 V N 3.253 123.249 119.914 0.137 0.000 2.446 223 V HA 0.414 4.534 4.120 -0.000 0.000 0.276 223 V C 0.788 176.967 176.094 0.141 0.000 1.030 223 V CA 0.500 62.902 62.300 0.169 0.000 1.033 223 V CB 0.720 32.630 31.823 0.145 0.000 0.993 223 V HN 0.711 nan 8.190 nan 0.000 0.477 224 K N 4.616 125.105 120.400 0.149 0.000 2.469 224 K HA 0.590 4.910 4.320 -0.000 0.000 0.254 224 K C -0.930 175.714 176.600 0.074 0.000 0.939 224 K CA -0.872 55.436 56.287 0.034 0.000 0.812 224 K CB 2.659 35.052 32.500 -0.179 0.000 1.301 224 K HN 0.923 nan 8.250 nan 0.000 0.433 225 H N 1.055 120.108 119.070 -0.028 0.000 2.834 225 H HA 0.516 5.072 4.556 -0.000 0.000 0.369 225 H C -1.139 174.173 175.328 -0.025 0.000 1.174 225 H CA -0.985 55.056 56.048 -0.011 0.000 1.165 225 H CB 1.155 30.909 29.762 -0.013 0.000 1.820 225 H HN 0.347 nan 8.280 nan 0.000 0.558 226 L N 1.981 123.237 121.223 0.055 0.000 2.322 226 L HA 0.275 4.615 4.340 -0.000 0.000 0.279 226 L C 0.959 177.940 176.870 0.185 0.000 1.036 226 L CA -0.911 53.945 54.840 0.027 0.000 0.807 226 L CB 1.880 43.956 42.059 0.027 0.000 1.226 226 L HN 0.818 nan 8.230 nan 0.000 0.433 227 T N -2.070 112.570 114.554 0.143 0.000 2.766 227 T HA 0.100 4.450 4.350 -0.000 0.000 0.295 227 T C 1.094 175.853 174.700 0.099 0.000 1.024 227 T CA -0.678 61.512 62.100 0.150 0.000 1.018 227 T CB 0.665 69.598 68.868 0.109 0.000 1.002 227 T HN 0.500 nan 8.240 nan 0.000 0.532 228 N N 1.028 119.784 118.700 0.092 0.000 2.104 228 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 228 N C 1.700 177.251 175.510 0.068 0.000 1.024 228 N CA 1.543 54.644 53.050 0.083 0.000 0.853 228 N CB -0.392 38.148 38.487 0.089 0.000 1.008 228 N HN 0.695 nan 8.380 nan 0.000 0.424 229 E N 1.037 121.275 120.200 0.062 0.000 2.072 229 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 229 E C 1.879 178.500 176.600 0.036 0.000 0.982 229 E CA 0.729 57.158 56.400 0.049 0.000 0.803 229 E CB -0.155 29.574 29.700 0.048 0.000 0.755 229 E HN 0.462 nan 8.360 nan 0.000 0.453 230 E N 0.445 120.665 120.200 0.032 0.000 2.077 230 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 230 E C 2.024 178.634 176.600 0.017 0.000 0.989 230 E CA 1.071 57.481 56.400 0.016 0.000 0.800 230 E CB -0.165 29.534 29.700 -0.001 0.000 0.746 230 E HN 0.283 nan 8.360 nan 0.000 0.452 231 A N 1.367 124.204 122.820 0.030 0.000 1.877 231 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 231 A C 2.400 179.998 177.584 0.023 0.000 1.186 231 A CA 1.712 53.766 52.037 0.029 0.000 0.620 231 A CB -0.757 18.271 19.000 0.048 0.000 0.822 231 A HN 0.304 nan 8.150 nan 0.000 0.443 232 A N -0.442 122.394 122.820 0.027 0.000 1.940 232 A HA -0.173 4.146 4.320 -0.000 0.000 0.219 232 A C 1.933 179.516 177.584 -0.002 0.000 1.176 232 A CA 1.790 53.837 52.037 0.016 0.000 0.631 232 A CB -0.422 18.593 19.000 0.025 0.000 0.814 232 A HN 0.473 nan 8.150 nan 0.000 0.446 233 E N -0.155 120.049 120.200 0.006 0.000 2.106 233 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 233 E C 1.952 178.558 176.600 0.010 0.000 0.984 233 E CA 0.995 57.399 56.400 0.005 0.000 0.806 233 E CB -0.385 29.326 29.700 0.020 0.000 0.750 233 E HN 0.744 nan 8.360 nan 0.000 0.458 234 I N 0.767 121.345 120.570 0.013 0.000 2.202 234 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 234 I C 2.586 178.710 176.117 0.012 0.000 1.091 234 I CA 0.979 62.290 61.300 0.019 0.000 1.368 234 I CB -0.178 37.827 38.000 0.008 0.000 1.058 234 I HN -0.023 nan 8.210 nan 0.000 0.410 235 R N 1.202 121.699 120.500 -0.004 0.000 2.105 235 R HA -0.221 4.119 4.340 -0.000 0.000 0.239 235 R C 2.267 178.539 176.300 -0.046 0.000 1.135 235 R CA 1.696 57.788 56.100 -0.013 0.000 0.967 235 R CB -0.448 29.846 30.300 -0.010 0.000 0.861 235 R HN 0.471 nan 8.270 nan 0.000 0.442 236 K N -0.269 120.070 120.400 -0.102 0.000 2.283 236 K HA -0.154 4.166 4.320 -0.000 0.000 0.202 236 K C 0.695 177.071 176.600 -0.374 0.000 1.048 236 K CA 1.733 57.879 56.287 -0.236 0.000 0.948 236 K CB 0.004 32.332 32.500 -0.286 0.000 0.742 236 K HN 0.402 nan 8.250 nan 0.000 0.458 237 H N -1.266 117.807 119.070 0.005 0.000 3.170 237 H HA 0.201 4.757 4.556 -0.000 0.000 0.264 237 H C -0.799 174.529 175.328 -0.000 0.000 1.113 237 H CA -0.324 55.725 56.048 0.002 0.000 1.194 237 H CB 1.015 30.778 29.762 0.002 0.000 1.553 237 H HN 0.144 nan 8.280 nan 0.000 0.538 238 D N 0.342 120.795 120.400 0.088 0.000 2.328 238 D HA 0.087 4.727 4.640 -0.000 0.000 0.243 238 D C -2.184 174.131 176.300 0.025 0.000 1.324 238 D CA -1.956 52.076 54.000 0.053 0.000 0.966 238 D CB 1.582 42.410 40.800 0.046 0.000 1.324 238 D HN -0.026 nan 8.370 nan 0.000 0.549 239 P HA 0.068 nan 4.420 nan 0.000 0.234 239 P C -0.166 177.144 177.300 0.017 0.000 1.167 239 P CA 0.520 63.629 63.100 0.015 0.000 0.763 239 P CB 0.546 32.254 31.700 0.013 0.000 0.835 240 D N -0.659 119.749 120.400 0.013 0.000 2.670 240 D HA 0.036 4.676 4.640 -0.000 0.000 0.255 240 D C 1.464 177.769 176.300 0.009 0.000 1.286 240 D CA 0.188 54.197 54.000 0.016 0.000 0.830 240 D CB 0.403 41.205 40.800 0.003 0.000 1.065 240 D HN 0.188 nan 8.370 nan 0.000 0.486 241 S N 0.507 116.201 115.700 -0.009 0.000 2.400 241 S HA -0.175 4.295 4.470 -0.000 0.000 0.232 241 S C 1.616 176.177 174.600 -0.065 0.000 1.025 241 S CA 0.857 59.042 58.200 -0.025 0.000 0.993 241 S CB 0.029 63.211 63.200 -0.030 0.000 0.808 241 S HN 0.090 nan 8.310 nan 0.000 0.478 242 N N 1.311 119.921 118.700 -0.150 0.000 2.333 242 N HA 0.030 4.770 4.740 -0.000 0.000 0.178 242 N C 1.836 177.318 175.510 -0.048 0.000 1.018 242 N CA 1.153 53.996 53.050 -0.344 0.000 0.882 242 N CB -0.629 37.219 38.487 -1.065 0.000 0.984 242 N HN 0.553 nan 8.380 nan 0.000 0.434 243 Q N 1.721 121.594 119.800 0.122 0.000 2.050 243 Q HA -0.048 4.292 4.340 -0.000 0.000 0.202 243 Q C 2.060 178.187 176.000 0.212 0.000 0.980 243 Q CA 1.537 57.491 55.803 0.251 0.000 0.840 243 Q CB -0.183 28.666 28.738 0.185 0.000 0.898 243 Q HN 0.262 nan 8.270 nan 0.000 0.424 244 R N 0.077 120.649 120.500 0.119 0.000 2.073 244 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 244 R C 2.073 178.469 176.300 0.161 0.000 1.134 244 R CA 1.798 57.970 56.100 0.121 0.000 0.952 244 R CB -0.582 29.754 30.300 0.060 0.000 0.850 244 R HN 0.545 nan 8.270 nan 0.000 0.433 245 D N 0.216 120.679 120.400 0.106 0.000 2.123 245 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 245 D C 1.928 178.323 176.300 0.158 0.000 0.992 245 D CA 1.211 55.273 54.000 0.104 0.000 0.833 245 D CB 0.089 40.915 40.800 0.043 0.000 0.954 245 D HN 0.250 nan 8.370 nan 0.000 0.455 246 L N 0.003 121.355 121.223 0.215 0.000 2.056 246 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 246 L C 2.290 179.313 176.870 0.255 0.000 1.078 246 L CA 1.358 56.357 54.840 0.264 0.000 0.749 246 L CB -1.034 41.263 42.059 0.396 0.000 0.901 246 L HN 0.015 nan 8.230 nan 0.000 0.433 247 F N 0.521 120.576 119.950 0.176 0.000 2.134 247 F HA -0.226 4.301 4.527 -0.000 0.000 0.299 247 F C 2.087 177.966 175.800 0.131 0.000 1.097 247 F CA 2.014 60.110 58.000 0.160 0.000 1.264 247 F CB -0.288 38.800 39.000 0.148 0.000 1.001 247 F HN 0.201 nan 8.300 nan 0.000 0.479 248 D N 0.225 120.824 120.400 0.332 0.000 2.144 248 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 248 D C 2.376 178.732 176.300 0.093 0.000 0.978 248 D CA 1.324 55.457 54.000 0.221 0.000 0.833 248 D CB -0.655 40.261 40.800 0.192 0.000 0.961 248 D HN 0.357 nan 8.370 nan 0.000 0.470 249 A N 0.736 123.610 122.820 0.091 0.000 1.877 249 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 249 A C 2.345 179.953 177.584 0.040 0.000 1.186 249 A CA 0.993 53.062 52.037 0.054 0.000 0.620 249 A CB -0.746 18.295 19.000 0.069 0.000 0.822 249 A HN 0.202 nan 8.150 nan 0.000 0.443 250 I N -0.317 120.293 120.570 0.067 0.000 2.315 250 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 250 I C 2.903 179.050 176.117 0.049 0.000 1.117 250 I CA 0.929 62.311 61.300 0.137 0.000 1.404 250 I CB -0.309 37.737 38.000 0.077 0.000 1.071 250 I HN 0.359 nan 8.210 nan 0.000 0.419 251 A N 1.646 124.405 122.820 -0.101 0.000 1.972 251 A HA -0.199 4.120 4.320 -0.000 0.000 0.219 251 A C 2.260 179.834 177.584 -0.017 0.000 1.169 251 A CA 1.640 53.626 52.037 -0.086 0.000 0.635 251 A CB -0.579 18.373 19.000 -0.080 0.000 0.810 251 A HN 0.579 nan 8.150 nan 0.000 0.446 252 R N -1.521 118.961 120.500 -0.029 0.000 2.317 252 R HA 0.349 4.688 4.340 -0.000 0.000 0.208 252 R C 1.063 177.275 176.300 -0.147 0.000 0.914 252 R CA 0.764 56.833 56.100 -0.053 0.000 1.060 252 R CB -0.466 29.816 30.300 -0.030 0.000 1.015 252 R HN 0.728 nan 8.270 nan 0.000 0.498 253 G N 1.384 110.031 108.800 -0.255 0.000 2.143 253 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.249 253 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.249 253 G C -0.378 174.034 174.900 -0.814 0.000 0.981 253 G CA 0.281 44.959 45.100 -0.702 0.000 0.665 253 G HN 0.481 nan 8.290 nan 0.000 0.528 254 D N 0.583 120.740 120.400 -0.405 0.000 2.741 254 D HA 0.328 4.968 4.640 -0.000 0.000 0.233 254 D C 0.429 176.668 176.300 -0.102 0.000 1.160 254 D CA -0.514 53.349 54.000 -0.229 0.000 1.003 254 D CB -0.743 39.997 40.800 -0.101 0.000 1.064 254 D HN 0.467 nan 8.370 nan 0.000 0.503 255 Y N 2.396 122.687 120.300 -0.015 0.000 2.496 255 Y HA 0.180 4.730 4.550 -0.000 0.000 0.334 255 Y C -1.348 174.536 175.900 -0.027 0.000 1.080 255 Y CA -2.152 55.945 58.100 -0.005 0.000 1.355 255 Y CB 0.434 38.898 38.460 0.007 0.000 1.193 255 Y HN 0.226 nan 8.280 nan 0.000 0.523 256 P HA 0.150 nan 4.420 nan 0.000 0.275 256 P C -1.121 176.152 177.300 -0.045 0.000 1.227 256 P CA -0.362 62.685 63.100 -0.087 0.000 0.781 256 P CB 1.401 33.028 31.700 -0.121 0.000 0.906 257 K N 2.121 122.372 120.400 -0.248 0.000 2.328 257 K HA 0.591 4.911 4.320 -0.000 0.000 0.246 257 K C -0.775 175.728 176.600 -0.161 0.000 0.955 257 K CA -0.518 55.768 56.287 -0.001 0.000 0.817 257 K CB 2.259 34.788 32.500 0.050 0.000 1.208 257 K HN 0.520 nan 8.250 nan 0.000 0.432 258 W N 1.387 122.855 121.300 0.279 0.000 3.032 258 W HA 0.337 4.997 4.660 -0.000 0.000 0.335 258 W C -0.544 176.172 176.519 0.329 0.000 1.154 258 W CA -0.750 56.810 57.345 0.360 0.000 1.204 258 W CB 2.103 31.912 29.460 0.581 0.000 1.416 258 W HN 0.384 nan 8.180 nan 0.000 0.521 259 K N 2.895 123.557 120.400 0.437 0.000 2.234 259 K HA 0.330 4.649 4.320 -0.000 0.000 0.277 259 K C -0.670 176.010 176.600 0.133 0.000 1.038 259 K CA -0.672 55.776 56.287 0.269 0.000 0.888 259 K CB 1.033 33.638 32.500 0.174 0.000 1.091 259 K HN 0.371 nan 8.250 nan 0.000 0.467 260 L N 3.564 124.838 121.223 0.086 0.000 2.313 260 L HA 0.274 4.614 4.340 -0.000 0.000 0.282 260 L C -1.032 175.737 176.870 -0.169 0.000 1.092 260 L CA 0.769 55.439 54.840 -0.284 0.000 0.831 260 L CB 1.081 43.036 42.059 -0.173 0.000 1.159 260 L HN 0.565 nan 8.230 nan 0.000 0.442 261 S N 5.577 121.120 115.700 -0.262 0.000 2.599 261 S HA 0.766 5.236 4.470 -0.000 0.000 0.294 261 S C -0.550 173.976 174.600 -0.122 0.000 1.094 261 S CA -0.627 57.475 58.200 -0.164 0.000 0.931 261 S CB 1.684 64.772 63.200 -0.187 0.000 1.093 261 S HN 0.679 nan 8.310 nan 0.000 0.488 262 I N -0.552 119.954 120.570 -0.108 0.000 2.740 262 I HA 0.632 4.802 4.170 -0.000 0.000 0.303 262 I C -0.964 175.099 176.117 -0.091 0.000 1.044 262 I CA -0.953 60.277 61.300 -0.116 0.000 1.064 262 I CB 1.671 39.539 38.000 -0.219 0.000 1.249 262 I HN 0.427 nan 8.210 nan 0.000 0.433 263 Q N 3.024 122.800 119.800 -0.041 0.000 2.245 263 Q HA 0.702 5.042 4.340 -0.000 0.000 0.256 263 Q C -1.298 174.760 176.000 0.095 0.000 0.942 263 Q CA -0.954 54.905 55.803 0.093 0.000 0.896 263 Q CB 3.047 31.951 28.738 0.277 0.000 1.272 263 Q HN 0.574 nan 8.270 nan 0.000 0.442 264 V N 3.151 123.108 119.914 0.072 0.000 2.531 264 V HA 0.450 4.570 4.120 -0.000 0.000 0.301 264 V C -0.730 175.325 176.094 -0.065 0.000 1.034 264 V CA -0.645 61.600 62.300 -0.093 0.000 0.865 264 V CB 1.779 33.232 31.823 -0.617 0.000 0.995 264 V HN 0.784 nan 8.190 nan 0.000 0.424 265 M N 7.512 127.022 119.600 -0.150 0.000 2.190 265 M HA 0.580 5.060 4.480 -0.000 0.000 0.312 265 M C -2.885 173.407 176.300 -0.012 0.000 0.990 265 M CA -1.845 53.220 55.300 -0.393 0.000 0.927 265 M CB 2.587 34.432 32.600 -1.259 0.000 1.571 265 M HN 0.341 nan 8.290 nan 0.000 0.427 266 P HA 0.061 nan 4.420 nan 0.000 0.269 266 P C 0.030 177.325 177.300 -0.008 0.000 1.209 266 P CA -0.003 63.153 63.100 0.094 0.000 0.776 266 P CB 0.532 32.312 31.700 0.133 0.000 0.876 267 E N 2.008 122.100 120.200 -0.180 0.000 2.147 267 E HA -0.268 4.082 4.350 -0.000 0.000 0.199 267 E C 1.469 178.100 176.600 0.052 0.000 1.005 267 E CA 1.340 57.691 56.400 -0.081 0.000 0.810 267 E CB 0.075 29.657 29.700 -0.196 0.000 0.736 267 E HN 0.620 nan 8.360 nan 0.000 0.460 268 E N 0.420 120.595 120.200 -0.040 0.000 2.478 268 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 268 E C 0.639 177.256 176.600 0.028 0.000 1.046 268 E CA 0.830 57.204 56.400 -0.044 0.000 0.870 268 E CB 0.051 29.711 29.700 -0.066 0.000 0.818 268 E HN 0.167 nan 8.360 nan 0.000 0.527 269 D N 1.325 121.759 120.400 0.058 0.000 2.305 269 D HA 0.124 4.764 4.640 -0.000 0.000 0.206 269 D C 1.834 178.162 176.300 0.046 0.000 0.974 269 D CA 1.216 55.246 54.000 0.051 0.000 0.871 269 D CB 0.039 40.859 40.800 0.034 0.000 0.947 269 D HN 0.306 nan 8.370 nan 0.000 0.516 270 A N 0.772 123.650 122.820 0.097 0.000 1.972 270 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 270 A C 2.046 179.680 177.584 0.082 0.000 1.169 270 A CA 1.359 53.426 52.037 0.049 0.000 0.635 270 A CB -0.367 18.769 19.000 0.226 0.000 0.810 270 A HN 0.116 nan 8.150 nan 0.000 0.446 271 K N -0.057 120.414 120.400 0.119 0.000 2.148 271 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 271 K C 1.062 177.679 176.600 0.028 0.000 1.050 271 K CA 1.556 57.892 56.287 0.081 0.000 0.942 271 K CB -0.034 32.523 32.500 0.095 0.000 0.724 271 K HN 0.535 nan 8.250 nan 0.000 0.446 272 K N -0.893 119.530 120.400 0.038 0.000 2.387 272 K HA 0.049 4.369 4.320 -0.000 0.000 0.203 272 K C -0.357 176.257 176.600 0.023 0.000 1.030 272 K CA -0.520 55.773 56.287 0.010 0.000 1.099 272 K CB 0.189 32.691 32.500 0.003 0.000 0.863 272 K HN -0.039 nan 8.250 nan 0.000 0.529 273 Y N 3.931 124.178 120.300 -0.089 0.000 2.712 273 Y HA -0.116 4.434 4.550 -0.000 0.000 0.333 273 Y C 1.506 177.318 175.900 -0.147 0.000 1.225 273 Y CA -0.749 57.289 58.100 -0.103 0.000 1.499 273 Y CB 0.697 39.077 38.460 -0.134 0.000 1.288 273 Y HN 0.110 nan 8.280 nan 0.000 0.575 274 R N 2.991 122.974 120.500 -0.861 0.000 2.200 274 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 274 R C -0.615 175.063 176.300 -1.036 0.000 1.127 274 R CA 1.222 56.772 56.100 -0.917 0.000 0.989 274 R CB -0.447 29.226 30.300 -1.044 0.000 0.869 274 R HN 0.397 nan 8.270 nan 0.000 0.459 275 F N 0.660 120.154 119.950 -0.760 0.000 2.495 275 F HA 0.232 4.759 4.527 -0.000 0.000 0.327 275 F C 0.414 176.222 175.800 0.013 0.000 1.103 275 F CA -1.685 56.146 58.000 -0.281 0.000 0.949 275 F CB 1.205 40.081 39.000 -0.206 0.000 1.142 275 F HN -0.021 nan 8.300 nan 0.000 0.457 276 H N 5.134 124.313 119.070 0.181 0.000 3.237 276 H HA 0.016 4.572 4.556 -0.000 0.000 0.270 276 H C -1.960 173.453 175.328 0.142 0.000 0.900 276 H CA -1.569 54.567 56.048 0.147 0.000 1.415 276 H CB 0.944 30.820 29.762 0.191 0.000 1.484 276 H HN 0.284 nan 8.280 nan 0.000 0.540 277 P HA -0.027 nan 4.420 nan 0.000 0.233 277 P C 0.068 177.240 177.300 -0.212 0.000 1.167 277 P CA 0.888 63.940 63.100 -0.080 0.000 0.770 277 P CB 0.114 31.320 31.700 -0.823 0.000 0.837 278 F N -1.578 118.609 119.950 0.395 0.000 2.735 278 F HA 0.261 4.787 4.527 -0.000 0.000 0.308 278 F C 0.472 176.261 175.800 -0.019 0.000 1.112 278 F CA -0.895 57.180 58.000 0.124 0.000 1.235 278 F CB 0.040 39.084 39.000 0.074 0.000 1.027 278 F HN -0.210 nan 8.300 nan 0.000 0.528 279 D N 1.069 121.459 120.400 -0.017 0.000 2.373 279 D HA 0.097 4.737 4.640 -0.000 0.000 0.227 279 D C 0.820 177.084 176.300 -0.061 0.000 1.091 279 D CA 0.188 54.106 54.000 -0.137 0.000 0.840 279 D CB 1.885 42.529 40.800 -0.259 0.000 1.060 279 D HN 0.056 nan 8.370 nan 0.000 0.502 280 V N 3.846 123.733 119.914 -0.046 0.000 3.510 280 V HA -0.098 4.022 4.120 -0.000 0.000 0.270 280 V C 1.856 177.841 176.094 -0.182 0.000 1.201 280 V CA 2.065 64.297 62.300 -0.113 0.000 1.166 280 V CB -0.554 31.229 31.823 -0.068 0.000 0.825 280 V HN 0.774 nan 8.190 nan 0.000 0.484 281 T N -2.788 111.677 114.554 -0.149 0.000 3.169 281 T HA 0.198 4.548 4.350 -0.000 0.000 0.250 281 T C 0.550 175.191 174.700 -0.097 0.000 1.111 281 T CA 0.026 62.028 62.100 -0.163 0.000 1.010 281 T CB -0.081 68.714 68.868 -0.122 0.000 0.984 281 T HN 0.429 nan 8.240 nan 0.000 0.537 282 K N 1.010 121.347 120.400 -0.106 0.000 2.385 282 K HA 0.694 5.014 4.320 -0.000 0.000 0.248 282 K C -0.415 176.122 176.600 -0.106 0.000 0.955 282 K CA -1.156 55.111 56.287 -0.035 0.000 0.816 282 K CB 2.516 35.020 32.500 0.006 0.000 1.250 282 K HN 0.297 nan 8.250 nan 0.000 0.434 283 I N -2.801 117.761 120.570 -0.013 0.000 3.076 283 I HA 0.561 4.731 4.170 -0.000 0.000 0.313 283 I C -0.875 175.433 176.117 0.318 0.000 1.053 283 I CA -0.968 60.344 61.300 0.019 0.000 1.048 283 I CB 0.955 38.999 38.000 0.073 0.000 1.264 283 I HN 0.386 nan 8.210 nan 0.000 0.498 284 W N 1.627 123.047 121.300 0.199 0.000 2.338 284 W HA 0.368 5.027 4.660 -0.000 0.000 0.307 284 W C -0.524 176.308 176.519 0.522 0.000 1.167 284 W CA -0.926 56.633 57.345 0.356 0.000 1.208 284 W CB -0.279 29.264 29.460 0.138 0.000 1.228 284 W HN 0.318 nan 8.180 nan 0.000 0.499 285 Y N 1.985 122.658 120.300 0.621 0.000 2.610 285 Y HA -0.081 4.469 4.550 -0.000 0.000 0.332 285 Y C 2.176 178.302 175.900 0.377 0.000 1.201 285 Y CA 0.191 58.552 58.100 0.435 0.000 1.465 285 Y CB -0.028 38.686 38.460 0.422 0.000 1.283 285 Y HN 0.456 nan 8.280 nan 0.000 0.563 286 T N -1.310 113.470 114.554 0.377 0.000 2.962 286 T HA -0.220 4.130 4.350 -0.000 0.000 0.270 286 T C 1.507 176.328 174.700 0.202 0.000 1.088 286 T CA 1.162 63.418 62.100 0.260 0.000 1.127 286 T CB -0.207 68.762 68.868 0.170 0.000 0.883 286 T HN 0.754 nan 8.240 nan 0.000 0.493 287 Q N 1.502 121.430 119.800 0.214 0.000 2.135 287 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 287 Q C 1.419 177.484 176.000 0.108 0.000 0.981 287 Q CA 1.985 57.884 55.803 0.159 0.000 0.856 287 Q CB -0.366 28.482 28.738 0.182 0.000 0.902 287 Q HN 0.464 nan 8.270 nan 0.000 0.425 288 D N -0.580 119.907 120.400 0.146 0.000 2.216 288 D HA -0.017 4.623 4.640 -0.000 0.000 0.208 288 D C -0.184 175.797 176.300 -0.532 0.000 0.960 288 D CA 0.862 54.777 54.000 -0.141 0.000 0.861 288 D CB 0.233 41.056 40.800 0.039 0.000 0.985 288 D HN 0.303 nan 8.370 nan 0.000 0.493 289 Y N 0.373 120.755 120.300 0.135 0.000 2.594 289 Y HA 0.341 4.891 4.550 -0.000 0.000 0.338 289 Y C -2.415 173.555 175.900 0.118 0.000 1.019 289 Y CA -2.429 55.732 58.100 0.102 0.000 1.306 289 Y CB 1.769 40.309 38.460 0.132 0.000 1.094 289 Y HN -0.212 nan 8.280 nan 0.000 0.534 290 P HA 0.065 nan 4.420 nan 0.000 0.272 290 P C -0.101 177.239 177.300 0.067 0.000 1.223 290 P CA -0.188 62.972 63.100 0.099 0.000 0.784 290 P CB 0.964 32.702 31.700 0.063 0.000 0.923 291 L N 2.763 123.992 121.223 0.010 0.000 2.453 291 L HA 0.179 4.519 4.340 -0.000 0.000 0.272 291 L C 0.558 177.417 176.870 -0.019 0.000 1.182 291 L CA 0.637 55.442 54.840 -0.058 0.000 0.858 291 L CB -0.208 41.793 42.059 -0.097 0.000 1.120 291 L HN 0.315 nan 8.230 nan 0.000 0.474 292 M N 3.286 122.864 119.600 -0.036 0.000 2.253 292 M HA 0.298 4.778 4.480 -0.000 0.000 0.314 292 M C -0.218 176.062 176.300 -0.032 0.000 1.019 292 M CA -0.441 54.851 55.300 -0.015 0.000 0.932 292 M CB 2.168 34.769 32.600 0.002 0.000 1.606 292 M HN 0.470 nan 8.290 nan 0.000 0.430 293 E N 2.058 122.252 120.200 -0.010 0.000 2.414 293 E HA 0.123 4.473 4.350 -0.000 0.000 0.263 293 E C -0.449 176.149 176.600 -0.003 0.000 1.000 293 E CA -0.085 56.312 56.400 -0.004 0.000 0.914 293 E CB 0.944 30.655 29.700 0.019 0.000 0.948 293 E HN 0.631 nan 8.360 nan 0.000 0.444 294 V N 3.072 122.995 119.914 0.014 0.000 2.996 294 V HA 0.400 4.520 4.120 -0.000 0.000 0.235 294 V C 0.768 176.947 176.094 0.141 0.000 1.205 294 V CA 0.574 62.899 62.300 0.042 0.000 1.225 294 V CB 0.703 32.515 31.823 -0.019 0.000 0.995 294 V HN 0.822 nan 8.190 nan 0.000 0.484 295 G N -0.486 108.432 108.800 0.198 0.000 2.428 295 G HA2 0.610 4.570 3.960 -0.000 0.000 0.304 295 G HA3 0.610 4.570 3.960 -0.000 0.000 0.304 295 G C -2.186 172.813 174.900 0.166 0.000 1.303 295 G CA -0.549 44.600 45.100 0.082 0.000 0.825 295 G HN 0.028 nan 8.290 nan 0.000 0.484 296 I N 0.060 120.624 120.570 -0.009 0.000 2.582 296 I HA 0.541 4.711 4.170 -0.000 0.000 0.292 296 I C -0.576 175.716 176.117 0.291 0.000 1.066 296 I CA -1.162 60.255 61.300 0.195 0.000 1.053 296 I CB 2.261 40.326 38.000 0.108 0.000 1.241 296 I HN 0.377 nan 8.210 nan 0.000 0.421 297 V N 6.136 126.373 119.914 0.539 0.000 2.483 297 V HA 0.481 4.601 4.120 -0.000 0.000 0.295 297 V C -0.626 175.677 176.094 0.347 0.000 1.035 297 V CA -0.100 62.502 62.300 0.504 0.000 0.896 297 V CB 1.877 34.080 31.823 0.634 0.000 0.986 297 V HN 0.852 nan 8.190 nan 0.000 0.447 298 E N 5.718 126.025 120.200 0.178 0.000 2.218 298 E HA 0.453 4.803 4.350 -0.000 0.000 0.263 298 E C -1.567 175.027 176.600 -0.010 0.000 0.879 298 E CA -0.678 55.794 56.400 0.119 0.000 0.762 298 E CB 1.642 31.387 29.700 0.074 0.000 1.166 298 E HN 0.722 nan 8.360 nan 0.000 0.415 299 L N 4.700 125.938 121.223 0.024 0.000 2.276 299 L HA 0.363 4.703 4.340 -0.000 0.000 0.286 299 L C 0.325 177.115 176.870 -0.133 0.000 1.061 299 L CA -0.390 54.396 54.840 -0.090 0.000 0.807 299 L CB 0.634 42.684 42.059 -0.015 0.000 1.177 299 L HN 0.616 nan 8.230 nan 0.000 0.429 300 N N 1.254 119.783 118.700 -0.286 0.000 2.142 300 N HA 0.101 4.841 4.740 -0.000 0.000 0.233 300 N C -0.497 174.783 175.510 -0.384 0.000 1.335 300 N CA -0.553 52.057 53.050 -0.732 0.000 0.837 300 N CB 0.575 38.433 38.487 -1.048 0.000 1.238 300 N HN 0.462 nan 8.380 nan 0.000 0.501 301 K N 0.522 120.857 120.400 -0.108 0.000 2.581 301 K HA 0.329 4.649 4.320 -0.000 0.000 0.249 301 K C -1.476 175.192 176.600 0.114 0.000 0.966 301 K CA -0.534 55.754 56.287 0.002 0.000 0.811 301 K CB 1.019 33.533 32.500 0.022 0.000 1.223 301 K HN -0.070 nan 8.250 nan 0.000 0.438 302 N N 3.861 122.590 118.700 0.049 0.000 2.529 302 N HA 0.299 5.039 4.740 -0.000 0.000 0.278 302 N C -2.497 173.179 175.510 0.276 0.000 1.146 302 N CA -1.370 51.742 53.050 0.103 0.000 0.980 302 N CB 0.942 39.320 38.487 -0.182 0.000 1.124 302 N HN 0.430 nan 8.380 nan 0.000 0.458 303 P HA 0.088 nan 4.420 nan 0.000 0.269 303 P C 0.411 177.893 177.300 0.304 0.000 1.215 303 P CA -0.050 63.296 63.100 0.409 0.000 0.780 303 P CB 0.983 32.896 31.700 0.354 0.000 0.898 304 E N 0.239 120.570 120.200 0.218 0.000 2.112 304 E HA -0.055 4.295 4.350 -0.000 0.000 0.190 304 E C 0.561 177.270 176.600 0.183 0.000 0.979 304 E CA 0.760 57.264 56.400 0.174 0.000 0.814 304 E CB 0.121 29.880 29.700 0.099 0.000 0.762 304 E HN 0.394 nan 8.360 nan 0.000 0.460 305 N N -0.573 118.231 118.700 0.173 0.000 2.461 305 N HA -0.004 4.736 4.740 -0.000 0.000 0.284 305 N C -0.371 175.264 175.510 0.208 0.000 1.049 305 N CA -0.137 53.024 53.050 0.185 0.000 0.889 305 N CB 1.178 39.751 38.487 0.144 0.000 1.365 305 N HN -0.015 nan 8.380 nan 0.000 0.499 306 Y N 4.655 125.045 120.300 0.151 0.000 2.097 306 Y HA -0.247 4.303 4.550 -0.000 0.000 0.282 306 Y C 1.779 177.757 175.900 0.130 0.000 1.152 306 Y CA 1.885 60.073 58.100 0.147 0.000 1.136 306 Y CB -0.189 38.354 38.460 0.138 0.000 0.975 306 Y HN 0.657 nan 8.280 nan 0.000 0.498 307 F N 0.528 120.601 119.950 0.205 0.000 2.102 307 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 307 F C 2.293 178.058 175.800 -0.059 0.000 1.105 307 F CA 1.830 59.879 58.000 0.081 0.000 1.239 307 F CB -0.777 38.283 39.000 0.101 0.000 0.991 307 F HN 0.085 nan 8.300 nan 0.000 0.474 308 A N -0.537 122.362 122.820 0.131 0.000 1.968 308 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 308 A C 2.031 179.505 177.584 -0.184 0.000 1.169 308 A CA 1.799 53.840 52.037 0.008 0.000 0.638 308 A CB -0.535 18.522 19.000 0.095 0.000 0.812 308 A HN 0.587 nan 8.150 nan 0.000 0.446 309 E N -1.297 118.783 120.200 -0.200 0.000 2.290 309 E HA 0.076 4.426 4.350 -0.000 0.000 0.199 309 E C 1.684 178.000 176.600 -0.473 0.000 0.912 309 E CA 0.662 56.877 56.400 -0.307 0.000 0.924 309 E CB 0.343 29.967 29.700 -0.127 0.000 0.901 309 E HN 0.366 nan 8.360 nan 0.000 0.487 310 V N 0.795 120.446 119.914 -0.439 0.000 2.521 310 V HA -0.079 4.041 4.120 -0.000 0.000 0.239 310 V C 2.158 177.974 176.094 -0.463 0.000 1.053 310 V CA 1.286 63.330 62.300 -0.426 0.000 1.073 310 V CB -0.115 31.265 31.823 -0.739 0.000 0.746 310 V HN 0.068 nan 8.190 nan 0.000 0.476 311 E N 0.923 120.757 120.200 -0.611 0.000 2.110 311 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 311 E C 2.109 178.421 176.600 -0.479 0.000 0.988 311 E CA 1.567 57.697 56.400 -0.450 0.000 0.804 311 E CB -0.211 29.216 29.700 -0.455 0.000 0.745 311 E HN 0.635 nan 8.360 nan 0.000 0.458 312 Q N -0.230 119.219 119.800 -0.585 0.000 2.444 312 Q HA 0.242 4.582 4.340 -0.000 0.000 0.206 312 Q C -0.047 175.714 176.000 -0.400 0.000 0.948 312 Q CA 0.185 55.702 55.803 -0.477 0.000 0.946 312 Q CB 0.423 28.892 28.738 -0.448 0.000 1.027 312 Q HN 0.229 nan 8.270 nan 0.000 0.513 313 A N 1.121 123.694 122.820 -0.411 0.000 2.511 313 A HA 0.465 4.785 4.320 -0.000 0.000 0.242 313 A C -0.155 177.147 177.584 -0.471 0.000 1.069 313 A CA 0.238 51.979 52.037 -0.493 0.000 0.763 313 A CB 0.246 19.025 19.000 -0.368 0.000 1.001 313 A HN 0.272 nan 8.150 nan 0.000 0.498 314 A N 2.066 124.487 122.820 -0.665 0.000 2.359 314 A HA 0.747 5.067 4.320 -0.000 0.000 0.303 314 A C -1.020 176.175 177.584 -0.649 0.000 1.066 314 A CA -0.418 51.180 52.037 -0.732 0.000 0.730 314 A CB 0.630 19.013 19.000 -1.028 0.000 1.211 314 A HN 0.684 nan 8.150 nan 0.000 0.439 315 F N 0.637 120.511 119.950 -0.128 0.000 2.532 315 F HA 0.764 5.291 4.527 -0.000 0.000 0.321 315 F C 0.595 176.492 175.800 0.162 0.000 1.089 315 F CA -0.450 57.523 58.000 -0.044 0.000 0.926 315 F CB 2.768 41.660 39.000 -0.180 0.000 1.168 315 F HN 0.464 nan 8.300 nan 0.000 0.459 316 T N 2.547 117.232 114.554 0.218 0.000 2.921 316 T HA 0.400 4.750 4.350 -0.000 0.000 0.297 316 T C -2.369 172.249 174.700 -0.136 0.000 1.013 316 T CA -2.180 59.915 62.100 -0.009 0.000 0.990 316 T CB 1.856 70.811 68.868 0.146 0.000 1.023 316 T HN 0.229 nan 8.240 nan 0.000 0.447 317 P HA 0.028 nan 4.420 nan 0.000 0.223 317 P C 1.234 178.599 177.300 0.109 0.000 1.144 317 P CA 0.801 63.845 63.100 -0.093 0.000 0.783 317 P CB 0.067 31.669 31.700 -0.164 0.000 0.771 318 A N -0.792 122.052 122.820 0.039 0.000 2.070 318 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 318 A C 1.252 179.024 177.584 0.314 0.000 1.159 318 A CA 1.040 53.172 52.037 0.158 0.000 0.656 318 A CB -1.091 17.950 19.000 0.069 0.000 0.800 318 A HN 0.138 nan 8.150 nan 0.000 0.453 319 N N 0.929 119.759 118.700 0.218 0.000 2.671 319 N HA 0.284 5.024 4.740 -0.000 0.000 0.274 319 N C -0.021 175.654 175.510 0.276 0.000 1.188 319 N CA 0.325 53.494 53.050 0.198 0.000 1.065 319 N CB 0.369 38.930 38.487 0.125 0.000 1.415 319 N HN 0.380 nan 8.380 nan 0.000 0.511 320 V N -0.861 119.191 119.914 0.230 0.000 3.302 320 V HA 0.771 4.891 4.120 -0.000 0.000 0.316 320 V C 0.562 176.638 176.094 -0.030 0.000 1.111 320 V CA -0.872 61.483 62.300 0.092 0.000 1.029 320 V CB 1.443 33.239 31.823 -0.044 0.000 1.170 320 V HN 0.114 nan 8.190 nan 0.000 0.452 321 V N -4.228 115.567 119.914 -0.197 0.000 3.040 321 V HA 0.732 4.852 4.120 -0.000 0.000 0.312 321 V C -2.953 173.035 176.094 -0.176 0.000 1.115 321 V CA -2.775 59.428 62.300 -0.161 0.000 0.998 321 V CB 1.223 32.933 31.823 -0.189 0.000 1.042 321 V HN 0.801 nan 8.190 nan 0.000 0.433 322 P HA 0.334 nan 4.420 nan 0.000 0.262 322 P C 0.965 178.199 177.300 -0.109 0.000 1.182 322 P CA 2.035 65.081 63.100 -0.090 0.000 0.761 322 P CB 0.627 32.297 31.700 -0.050 0.000 0.795 323 G N 2.194 110.942 108.800 -0.085 0.000 2.213 323 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.226 323 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.226 323 G C -0.009 174.849 174.900 -0.070 0.000 0.992 323 G CA -0.293 44.775 45.100 -0.054 0.000 0.632 323 G HN 0.495 nan 8.290 nan 0.000 0.511 324 I N 0.546 121.023 120.570 -0.156 0.000 2.582 324 I HA 0.693 4.863 4.170 -0.000 0.000 0.292 324 I C 0.582 176.603 176.117 -0.159 0.000 1.066 324 I CA -0.443 60.766 61.300 -0.152 0.000 1.053 324 I CB 2.146 39.908 38.000 -0.396 0.000 1.241 324 I HN 0.274 nan 8.210 nan 0.000 0.421 325 G N 3.545 112.305 108.800 -0.067 0.000 2.921 325 G HA2 0.619 4.579 3.960 -0.000 0.000 0.291 325 G HA3 0.619 4.579 3.960 -0.000 0.000 0.291 325 G C -1.446 173.471 174.900 0.028 0.000 1.370 325 G CA -0.485 44.481 45.100 -0.223 0.000 0.847 325 G HN 0.451 nan 8.290 nan 0.000 0.532 326 Y N -0.228 120.202 120.300 0.217 0.000 2.486 326 Y HA 0.647 5.197 4.550 -0.000 0.000 0.356 326 Y C 1.171 177.168 175.900 0.161 0.000 1.330 326 Y CA -0.035 58.181 58.100 0.193 0.000 1.557 326 Y CB 1.400 39.909 38.460 0.082 0.000 1.647 326 Y HN 0.691 nan 8.280 nan 0.000 0.585 327 S N -0.599 115.209 115.700 0.180 0.000 2.638 327 S HA 0.377 4.847 4.470 -0.000 0.000 0.274 327 S C -2.803 171.669 174.600 -0.213 0.000 1.157 327 S CA -1.413 56.764 58.200 -0.039 0.000 0.826 327 S CB 1.738 64.890 63.200 -0.080 0.000 1.139 327 S HN 0.373 nan 8.310 nan 0.000 0.474 328 P HA 0.156 nan 4.420 nan 0.000 0.259 328 P C -0.491 176.654 177.300 -0.258 0.000 1.480 328 P CA 0.052 62.948 63.100 -0.339 0.000 0.842 328 P CB -0.669 30.812 31.700 -0.364 0.000 1.513 329 D N 1.020 121.315 120.400 -0.174 0.000 2.434 329 D HA -0.016 4.624 4.640 -0.000 0.000 0.252 329 D C 1.254 177.518 176.300 -0.060 0.000 1.185 329 D CA 0.087 54.076 54.000 -0.019 0.000 0.886 329 D CB 0.828 41.613 40.800 -0.025 0.000 1.148 329 D HN 0.011 nan 8.370 nan 0.000 0.483 330 R N 3.223 123.752 120.500 0.049 0.000 2.105 330 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 330 R C 1.996 178.301 176.300 0.008 0.000 1.135 330 R CA 0.993 57.127 56.100 0.057 0.000 0.967 330 R CB -0.026 30.382 30.300 0.181 0.000 0.861 330 R HN 0.563 nan 8.270 nan 0.000 0.442 331 M N 0.221 119.825 119.600 0.007 0.000 2.077 331 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 331 M C 2.340 178.505 176.300 -0.225 0.000 1.070 331 M CA 1.164 56.457 55.300 -0.012 0.000 1.125 331 M CB -0.819 31.869 32.600 0.147 0.000 1.339 331 M HN 0.145 nan 8.290 nan 0.000 0.409 332 L N 1.197 122.057 121.223 -0.604 0.000 2.043 332 L HA -0.232 4.107 4.340 -0.000 0.000 0.212 332 L C 2.464 179.103 176.870 -0.384 0.000 1.075 332 L CA 1.912 56.268 54.840 -0.808 0.000 0.752 332 L CB -0.843 40.592 42.059 -1.039 0.000 0.891 332 L HN 0.335 nan 8.230 nan 0.000 0.432 333 Q N -0.324 119.319 119.800 -0.262 0.000 2.061 333 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 333 Q C 2.136 178.076 176.000 -0.100 0.000 0.984 333 Q CA 1.744 57.444 55.803 -0.173 0.000 0.846 333 Q CB -0.817 27.863 28.738 -0.097 0.000 0.902 333 Q HN 0.712 nan 8.270 nan 0.000 0.421 334 G N 0.984 109.752 108.800 -0.052 0.000 2.422 334 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.218 334 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.218 334 G C 1.495 176.422 174.900 0.045 0.000 1.146 334 G CA 0.464 45.580 45.100 0.028 0.000 0.769 334 G HN 0.272 nan 8.290 nan 0.000 0.547 335 R N -0.114 120.369 120.500 -0.028 0.000 2.152 335 R HA 0.098 4.437 4.340 -0.000 0.000 0.232 335 R C 2.484 178.803 176.300 0.033 0.000 1.117 335 R CA 0.563 56.698 56.100 0.059 0.000 0.981 335 R CB -0.405 29.892 30.300 -0.004 0.000 0.870 335 R HN 0.344 nan 8.270 nan 0.000 0.451 336 L N -0.316 120.856 121.223 -0.085 0.000 2.127 336 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 336 L C 2.215 179.104 176.870 0.030 0.000 1.089 336 L CA 1.160 55.932 54.840 -0.113 0.000 0.757 336 L CB -0.424 41.476 42.059 -0.266 0.000 0.899 336 L HN 0.171 nan 8.230 nan 0.000 0.434 337 F N 0.907 120.824 119.950 -0.054 0.000 2.147 337 F HA -0.125 4.402 4.527 0.000 0.000 0.291 337 F C 2.776 178.561 175.800 -0.025 0.000 1.093 337 F CA 1.142 59.124 58.000 -0.030 0.000 1.263 337 F CB -0.530 38.452 39.000 -0.031 0.000 1.036 337 F HN 0.057 nan 8.300 nan 0.000 0.481 338 S N -0.599 114.896 115.700 -0.342 0.000 2.382 338 S HA -0.230 4.240 4.470 -0.000 0.000 0.228 338 S C 1.995 176.273 174.600 -0.536 0.000 1.027 338 S CA 1.332 59.190 58.200 -0.570 0.000 0.991 338 S CB -1.444 61.571 63.200 -0.309 0.000 0.823 338 S HN 0.545 nan 8.310 nan 0.000 0.469 339 Y N 2.220 122.241 120.300 -0.465 0.000 2.153 339 Y HA 0.152 4.702 4.550 -0.000 0.000 0.289 339 Y C 3.076 178.389 175.900 -0.978 0.000 1.127 339 Y CA 0.784 58.514 58.100 -0.616 0.000 1.131 339 Y CB -0.995 37.216 38.460 -0.415 0.000 0.995 339 Y HN 0.405 nan 8.280 nan 0.000 0.505 340 G N -0.491 108.072 108.800 -0.395 0.000 2.442 340 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.219 340 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.219 340 G C 1.160 175.912 174.900 -0.248 0.000 1.141 340 G CA 1.403 46.377 45.100 -0.209 0.000 0.763 340 G HN 0.394 nan 8.290 nan 0.000 0.554 341 D N -0.346 119.808 120.400 -0.409 0.000 2.084 341 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 341 D C 2.471 178.618 176.300 -0.256 0.000 0.990 341 D CA 1.782 55.545 54.000 -0.395 0.000 0.826 341 D CB -0.417 39.856 40.800 -0.879 0.000 0.971 341 D HN 0.177 nan 8.370 nan 0.000 0.453 342 T N -1.806 112.545 114.554 -0.338 0.000 2.904 342 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 342 T C 1.539 176.185 174.700 -0.089 0.000 1.059 342 T CA 1.308 63.305 62.100 -0.172 0.000 1.137 342 T CB -0.393 68.346 68.868 -0.216 0.000 0.879 342 T HN 0.345 nan 8.240 nan 0.000 0.467 343 H N 0.278 119.188 119.070 -0.268 0.000 2.352 343 H HA -0.004 4.552 4.556 -0.000 0.000 0.299 343 H C 2.710 177.765 175.328 -0.455 0.000 1.097 343 H CA 1.218 56.938 56.048 -0.547 0.000 1.311 343 H CB 0.086 29.169 29.762 -1.132 0.000 1.377 343 H HN 0.255 nan 8.280 nan 0.000 0.504 344 R N -0.052 120.405 120.500 -0.071 0.000 2.096 344 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 344 R C 2.131 178.471 176.300 0.067 0.000 1.127 344 R CA 1.574 57.720 56.100 0.078 0.000 0.968 344 R CB -0.367 30.023 30.300 0.150 0.000 0.861 344 R HN 0.399 nan 8.270 nan 0.000 0.440 345 Y N 1.371 121.638 120.300 -0.055 0.000 2.163 345 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 345 Y C 2.442 178.302 175.900 -0.066 0.000 1.136 345 Y CA 1.544 59.614 58.100 -0.050 0.000 1.147 345 Y CB -0.106 38.319 38.460 -0.058 0.000 0.987 345 Y HN -0.156 nan 8.280 nan 0.000 0.509 346 R N -0.343 120.020 120.500 -0.228 0.000 2.153 346 R HA 0.015 4.355 4.340 -0.000 0.000 0.218 346 R C 1.274 177.412 176.300 -0.270 0.000 1.072 346 R CA 1.650 57.562 56.100 -0.313 0.000 0.990 346 R CB -0.062 30.173 30.300 -0.108 0.000 0.889 346 R HN 0.504 nan 8.270 nan 0.000 0.452 347 L N -1.159 119.935 121.223 -0.216 0.000 2.840 347 L HA 0.411 4.751 4.340 -0.000 0.000 0.249 347 L C 0.324 177.157 176.870 -0.063 0.000 1.119 347 L CA 0.107 54.853 54.840 -0.157 0.000 0.930 347 L CB 1.354 43.292 42.059 -0.200 0.000 1.295 347 L HN 0.370 nan 8.230 nan 0.000 0.534 348 G N -0.053 108.726 108.800 -0.036 0.000 2.650 348 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.686 348 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.686 348 G C 0.087 175.115 174.900 0.214 0.000 1.205 348 G CA -0.345 44.793 45.100 0.062 0.000 0.781 348 G HN -0.255 nan 8.290 nan 0.000 0.648 349 V N 0.819 120.868 119.914 0.224 0.000 2.568 349 V HA -0.099 4.021 4.120 -0.000 0.000 0.253 349 V C 1.791 178.013 176.094 0.213 0.000 1.072 349 V CA 2.455 64.909 62.300 0.256 0.000 1.084 349 V CB -0.280 31.662 31.823 0.198 0.000 0.676 349 V HN 0.662 nan 8.190 nan 0.000 0.469 350 N N -0.344 118.458 118.700 0.169 0.000 2.327 350 N HA 0.054 4.794 4.740 -0.000 0.000 0.231 350 N C 1.193 176.712 175.510 0.015 0.000 1.130 350 N CA 0.530 53.620 53.050 0.067 0.000 0.845 350 N CB -0.069 38.478 38.487 0.100 0.000 1.073 350 N HN 0.868 nan 8.380 nan 0.000 0.496 351 Y N 0.614 120.895 120.300 -0.032 0.000 2.298 351 Y HA 0.017 4.567 4.550 -0.000 0.000 0.287 351 Y C -1.108 174.705 175.900 -0.145 0.000 1.164 351 Y CA 0.512 58.553 58.100 -0.099 0.000 1.229 351 Y CB -1.687 36.698 38.460 -0.125 0.000 0.977 351 Y HN -0.002 nan 8.280 nan 0.000 0.538 352 P HA -0.108 nan 4.420 nan 0.000 0.228 352 P C 0.689 177.776 177.300 -0.355 0.000 1.151 352 P CA 1.557 64.347 63.100 -0.517 0.000 0.770 352 P CB -0.062 31.293 31.700 -0.574 0.000 0.786 353 Q N -1.094 118.566 119.800 -0.233 0.000 2.403 353 Q HA 0.127 4.467 4.340 -0.000 0.000 0.203 353 Q C 0.496 176.421 176.000 -0.125 0.000 0.932 353 Q CA -0.082 55.622 55.803 -0.166 0.000 0.945 353 Q CB 0.018 28.715 28.738 -0.067 0.000 1.045 353 Q HN 0.335 nan 8.270 nan 0.000 0.511 354 I N 1.963 122.458 120.570 -0.125 0.000 2.529 354 I HA 0.002 4.172 4.170 -0.000 0.000 0.284 354 I C -1.582 174.445 176.117 -0.150 0.000 1.082 354 I CA -1.866 59.366 61.300 -0.113 0.000 1.406 354 I CB 0.947 38.879 38.000 -0.113 0.000 1.405 354 I HN -0.115 nan 8.210 nan 0.000 0.548 355 P HA -0.226 nan 4.420 nan 0.000 0.216 355 P C 1.723 178.921 177.300 -0.171 0.000 1.157 355 P CA 1.064 64.076 63.100 -0.146 0.000 0.880 355 P CB 0.192 31.821 31.700 -0.119 0.000 0.791 356 V N -0.301 119.493 119.914 -0.201 0.000 2.594 356 V HA -0.189 3.931 4.120 -0.000 0.000 0.253 356 V C 1.484 177.460 176.094 -0.197 0.000 1.069 356 V CA 2.002 64.153 62.300 -0.249 0.000 1.082 356 V CB -0.975 30.521 31.823 -0.546 0.000 0.680 356 V HN 0.120 nan 8.190 nan 0.000 0.469 357 N N -0.376 118.191 118.700 -0.222 0.000 2.373 357 N HA 0.065 4.805 4.740 -0.000 0.000 0.181 357 N C 0.574 175.976 175.510 -0.180 0.000 1.082 357 N CA 0.206 53.125 53.050 -0.218 0.000 0.885 357 N CB 0.063 38.413 38.487 -0.228 0.000 0.977 357 N HN 0.522 nan 8.380 nan 0.000 0.462 358 K N 2.124 122.413 120.400 -0.184 0.000 2.382 358 K HA 0.159 4.479 4.320 -0.000 0.000 0.275 358 K C -2.245 174.254 176.600 -0.168 0.000 1.009 358 K CA -1.284 54.842 56.287 -0.270 0.000 0.970 358 K CB 0.291 32.640 32.500 -0.251 0.000 0.934 358 K HN 0.011 nan 8.250 nan 0.000 0.479 359 P HA 0.126 nan 4.420 nan 0.000 0.272 359 P C -0.262 177.021 177.300 -0.028 0.000 1.230 359 P CA -0.216 62.842 63.100 -0.070 0.000 0.788 359 P CB 0.678 32.311 31.700 -0.113 0.000 0.949 360 R N -0.037 120.485 120.500 0.036 0.000 2.362 360 R HA 0.166 4.506 4.340 -0.000 0.000 0.227 360 R C 0.364 176.689 176.300 0.041 0.000 0.905 360 R CA 0.246 56.340 56.100 -0.011 0.000 1.067 360 R CB -0.965 29.300 30.300 -0.058 0.000 1.078 360 R HN 0.641 nan 8.270 nan 0.000 0.516 361 C N -2.046 117.304 119.300 0.083 0.000 2.531 361 C HA 0.766 5.226 4.460 -0.000 0.000 0.369 361 C C -2.338 172.719 174.990 0.113 0.000 1.258 361 C CA -2.846 56.222 59.018 0.083 0.000 1.876 361 C CB 1.454 29.245 27.740 0.085 0.000 2.256 361 C HN 0.071 nan 8.230 nan 0.000 0.510 362 P HA 0.401 nan 4.420 nan 0.000 0.267 362 P C -0.912 176.420 177.300 0.055 0.000 1.200 362 P CA 0.351 63.446 63.100 -0.009 0.000 0.772 362 P CB -0.001 31.725 31.700 0.043 0.000 0.855 363 F N -0.705 119.078 119.950 -0.278 0.000 2.596 363 F HA 0.580 5.107 4.527 -0.000 0.000 0.311 363 F C -0.966 174.567 175.800 -0.445 0.000 1.116 363 F CA -0.676 57.181 58.000 -0.237 0.000 0.957 363 F CB 1.602 40.473 39.000 -0.215 0.000 1.250 363 F HN 0.261 nan 8.300 nan 0.000 0.444 364 H N 2.148 121.381 119.070 0.272 0.000 3.162 364 H HA 0.315 4.871 4.556 -0.000 0.000 0.309 364 H C -1.249 174.344 175.328 0.442 0.000 1.156 364 H CA -0.541 55.743 56.048 0.394 0.000 1.586 364 H CB 1.861 31.811 29.762 0.313 0.000 1.740 364 H HN 0.794 nan 8.280 nan 0.000 0.525 365 S N 1.362 117.394 115.700 0.553 0.000 2.525 365 S HA 0.178 4.648 4.470 -0.000 0.000 0.290 365 S C 1.304 175.958 174.600 0.090 0.000 1.152 365 S CA -0.245 58.108 58.200 0.254 0.000 1.072 365 S CB 1.175 64.523 63.200 0.247 0.000 1.027 365 S HN 0.622 nan 8.310 nan 0.000 0.500 366 S N 2.930 118.440 115.700 -0.317 0.000 2.561 366 S HA 0.093 4.563 4.470 -0.000 0.000 0.225 366 S C 0.697 175.200 174.600 -0.161 0.000 0.977 366 S CA -0.195 57.762 58.200 -0.404 0.000 0.926 366 S CB -0.405 62.414 63.200 -0.636 0.000 0.769 366 S HN 0.553 nan 8.310 nan 0.000 0.533 367 S N 2.360 118.022 115.700 -0.062 0.000 2.573 367 S HA 0.429 4.899 4.470 -0.000 0.000 0.277 367 S C 0.240 174.795 174.600 -0.075 0.000 1.346 367 S CA -0.296 57.892 58.200 -0.019 0.000 1.034 367 S CB 0.297 63.532 63.200 0.058 0.000 0.879 367 S HN 0.396 nan 8.310 nan 0.000 0.528 368 R N 1.257 121.721 120.500 -0.060 0.000 2.707 368 R HA 0.462 4.802 4.340 -0.000 0.000 0.272 368 R C -0.621 175.717 176.300 0.064 0.000 1.011 368 R CA -0.551 55.485 56.100 -0.107 0.000 0.893 368 R CB 1.227 31.395 30.300 -0.220 0.000 1.233 368 R HN 0.747 nan 8.270 nan 0.000 0.464 369 D N -0.196 120.307 120.400 0.172 0.000 3.555 369 D HA -0.146 4.494 4.640 -0.000 0.000 0.215 369 D C 0.423 176.793 176.300 0.116 0.000 1.480 369 D CA 1.869 55.946 54.000 0.128 0.000 1.126 369 D CB -1.110 39.723 40.800 0.055 0.000 0.676 369 D HN 0.897 nan 8.370 nan 0.000 0.824 370 G N -1.637 107.197 108.800 0.058 0.000 2.829 370 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.628 370 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.628 370 G C -0.486 174.453 174.900 0.064 0.000 1.412 370 G CA -0.101 45.037 45.100 0.064 0.000 0.864 370 G HN 0.608 nan 8.290 nan 0.000 0.544 371 Y N 0.422 120.765 120.300 0.072 0.000 2.712 371 Y HA 0.248 4.798 4.550 -0.000 0.000 0.333 371 Y C 1.815 177.752 175.900 0.061 0.000 1.225 371 Y CA 1.155 59.291 58.100 0.060 0.000 1.499 371 Y CB 0.425 38.916 38.460 0.051 0.000 1.288 371 Y HN 0.652 nan 8.280 nan 0.000 0.575 372 M N 2.030 121.773 119.600 0.239 0.000 2.360 372 M HA -0.279 4.201 4.480 -0.000 0.000 0.202 372 M C -0.408 175.962 176.300 0.116 0.000 0.390 372 M CA 0.506 55.903 55.300 0.161 0.000 0.470 372 M CB -1.744 30.945 32.600 0.150 0.000 1.637 372 M HN 0.758 nan 8.290 nan 0.000 0.885 373 Q N 2.043 121.906 119.800 0.106 0.000 2.296 373 Q HA 0.300 4.640 4.340 -0.000 0.000 0.262 373 Q C 1.092 177.123 176.000 0.052 0.000 0.981 373 Q CA 0.599 56.460 55.803 0.097 0.000 0.905 373 Q CB 0.781 29.590 28.738 0.118 0.000 1.186 373 Q HN 0.480 nan 8.270 nan 0.000 0.399 374 N N 3.235 121.959 118.700 0.040 0.000 2.463 374 N HA 0.038 4.778 4.740 -0.000 0.000 0.181 374 N C 0.686 176.143 175.510 -0.088 0.000 1.078 374 N CA 0.770 53.824 53.050 0.007 0.000 0.902 374 N CB -0.067 38.445 38.487 0.040 0.000 0.970 374 N HN 0.807 nan 8.380 nan 0.000 0.451 375 G N 0.376 109.018 108.800 -0.263 0.000 2.198 375 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.257 375 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.257 375 G C 0.435 174.894 174.900 -0.736 0.000 1.042 375 G CA 0.540 45.280 45.100 -0.600 0.000 0.791 375 G HN 0.702 nan 8.290 nan 0.000 0.502 376 Y N -0.683 119.262 120.300 -0.593 0.000 2.256 376 Y HA -0.101 4.449 4.550 -0.000 0.000 0.288 376 Y C 2.273 178.021 175.900 -0.253 0.000 1.155 376 Y CA 1.658 59.576 58.100 -0.303 0.000 1.203 376 Y CB -0.748 37.630 38.460 -0.136 0.000 0.980 376 Y HN 0.590 nan 8.280 nan 0.000 0.530 377 Y N 0.069 119.847 120.300 -0.870 0.000 2.583 377 Y HA 0.452 5.002 4.550 -0.000 0.000 0.293 377 Y C 1.848 177.623 175.900 -0.209 0.000 1.157 377 Y CA -0.885 56.884 58.100 -0.552 0.000 1.315 377 Y CB -1.149 36.952 38.460 -0.599 0.000 1.021 377 Y HN 0.322 nan 8.280 nan 0.000 0.536 378 G N 0.907 109.687 108.800 -0.032 0.000 2.651 378 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.315 378 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.315 378 G C 1.130 176.108 174.900 0.129 0.000 1.258 378 G CA 1.078 46.206 45.100 0.047 0.000 1.002 378 G HN 0.460 nan 8.290 nan 0.000 0.551 379 S N 0.318 116.055 115.700 0.062 0.000 2.634 379 S HA 0.338 4.808 4.470 -0.000 0.000 0.221 379 S C 0.742 175.353 174.600 0.018 0.000 0.952 379 S CA 0.260 58.485 58.200 0.043 0.000 0.930 379 S CB 0.100 63.312 63.200 0.020 0.000 0.780 379 S HN 0.677 nan 8.310 nan 0.000 0.498 380 L N 3.966 125.198 121.223 0.014 0.000 2.485 380 L HA 0.099 4.439 4.340 -0.000 0.000 0.275 380 L C 0.794 177.630 176.870 -0.056 0.000 1.207 380 L CA -0.073 54.737 54.840 -0.050 0.000 0.855 380 L CB 0.350 42.372 42.059 -0.061 0.000 1.114 380 L HN 0.267 nan 8.230 nan 0.000 0.485 381 Q N 3.298 123.034 119.800 -0.106 0.000 2.414 381 Q HA -0.084 4.256 4.340 -0.000 0.000 0.288 381 Q C -0.492 175.518 176.000 0.017 0.000 1.086 381 Q CA 0.477 56.232 55.803 -0.080 0.000 0.943 381 Q CB -0.061 28.520 28.738 -0.261 0.000 1.282 381 Q HN 0.822 nan 8.270 nan 0.000 0.438 382 N N 0.839 119.611 118.700 0.120 0.000 2.338 382 N HA 0.156 4.896 4.740 -0.000 0.000 0.251 382 N C -1.078 174.559 175.510 0.212 0.000 1.199 382 N CA -0.441 52.702 53.050 0.155 0.000 0.879 382 N CB -0.023 38.488 38.487 0.039 0.000 1.159 382 N HN 0.630 nan 8.380 nan 0.000 0.514 383 Y N -2.625 117.751 120.300 0.127 0.000 2.638 383 Y HA 0.819 5.369 4.550 -0.000 0.000 0.335 383 Y C -0.750 175.221 175.900 0.117 0.000 1.155 383 Y CA -1.204 56.936 58.100 0.066 0.000 1.046 383 Y CB 0.881 39.362 38.460 0.034 0.000 1.303 383 Y HN 0.046 nan 8.280 nan 0.000 0.460 384 T N -0.352 114.320 114.554 0.196 0.000 2.883 384 T HA 0.744 5.094 4.350 -0.000 0.000 0.301 384 T C -2.799 172.017 174.700 0.194 0.000 1.158 384 T CA -1.334 60.849 62.100 0.138 0.000 1.007 384 T CB 1.509 70.423 68.868 0.077 0.000 1.186 384 T HN 0.839 nan 8.240 nan 0.000 0.499 385 P HA 0.719 nan 4.420 nan 0.000 0.282 385 P C -0.900 176.501 177.300 0.169 0.000 1.287 385 P CA -0.576 62.595 63.100 0.119 0.000 0.792 385 P CB 1.171 32.922 31.700 0.084 0.000 1.163 386 S N -1.973 113.785 115.700 0.095 0.000 2.543 386 S HA 0.301 4.771 4.470 -0.000 0.000 0.274 386 S C 0.406 175.036 174.600 0.051 0.000 1.149 386 S CA -0.510 57.751 58.200 0.102 0.000 0.866 386 S CB 0.840 64.022 63.200 -0.031 0.000 1.111 386 S HN 0.305 nan 8.310 nan 0.000 0.457 387 S N 2.289 118.025 115.700 0.060 0.000 2.562 387 S HA 0.305 4.775 4.470 -0.000 0.000 0.221 387 S C 0.456 175.063 174.600 0.012 0.000 0.975 387 S CA 0.101 58.320 58.200 0.032 0.000 0.918 387 S CB -0.400 62.821 63.200 0.035 0.000 0.772 387 S HN 0.525 nan 8.310 nan 0.000 0.531 388 L N 1.363 122.588 121.223 0.004 0.000 2.358 388 L HA 0.465 4.805 4.340 -0.000 0.000 0.268 388 L C -2.425 174.410 176.870 -0.058 0.000 1.032 388 L CA -2.713 52.114 54.840 -0.022 0.000 0.805 388 L CB -0.121 41.928 42.059 -0.015 0.000 1.253 388 L HN -0.162 nan 8.230 nan 0.000 0.452 389 P HA 0.224 nan 4.420 nan 0.000 0.265 389 P C -0.224 176.984 177.300 -0.154 0.000 1.187 389 P CA 0.148 63.189 63.100 -0.098 0.000 0.766 389 P CB 0.659 32.302 31.700 -0.095 0.000 0.820 390 G N 0.709 109.404 108.800 -0.176 0.000 2.435 390 G HA2 0.255 4.215 3.960 -0.000 0.000 0.296 390 G HA3 0.255 4.215 3.960 -0.000 0.000 0.296 390 G C -1.570 173.186 174.900 -0.240 0.000 1.240 390 G CA -0.710 44.231 45.100 -0.265 0.000 0.872 390 G HN 0.278 nan 8.290 nan 0.000 0.480 391 Y N 1.447 121.674 120.300 -0.122 0.000 2.620 391 Y HA 0.342 4.892 4.550 -0.000 0.000 0.330 391 Y C 0.755 176.623 175.900 -0.053 0.000 1.186 391 Y CA 0.348 58.402 58.100 -0.076 0.000 1.467 391 Y CB 0.756 39.182 38.460 -0.056 0.000 1.262 391 Y HN -0.084 nan 8.280 nan 0.000 0.550 392 K N 4.047 124.515 120.400 0.114 0.000 2.358 392 K HA 0.264 4.584 4.320 -0.000 0.000 0.260 392 K C -0.477 176.172 176.600 0.083 0.000 0.956 392 K CA -0.707 55.620 56.287 0.067 0.000 0.834 392 K CB 1.575 34.088 32.500 0.021 0.000 1.102 392 K HN 0.697 nan 8.250 nan 0.000 0.431 393 E N 1.069 121.309 120.200 0.066 0.000 2.404 393 E HA -0.049 4.301 4.350 -0.000 0.000 0.261 393 E C -0.380 176.246 176.600 0.044 0.000 1.074 393 E CA 0.136 56.569 56.400 0.054 0.000 0.917 393 E CB 0.538 30.262 29.700 0.041 0.000 0.965 393 E HN 0.253 nan 8.360 nan 0.000 0.433 394 D N 2.057 122.482 120.400 0.042 0.000 2.485 394 D HA 0.071 4.711 4.640 -0.000 0.000 0.221 394 D C 0.033 176.348 176.300 0.025 0.000 1.112 394 D CA -0.160 53.860 54.000 0.032 0.000 0.911 394 D CB 0.401 41.222 40.800 0.035 0.000 1.019 394 D HN 0.251 nan 8.370 nan 0.000 0.516 395 K N 0.616 121.029 120.400 0.021 0.000 2.365 395 K HA -0.076 4.244 4.320 -0.000 0.000 0.199 395 K C 1.800 178.407 176.600 0.012 0.000 1.045 395 K CA 0.630 56.927 56.287 0.017 0.000 0.962 395 K CB 0.213 32.722 32.500 0.016 0.000 0.759 395 K HN 0.352 nan 8.250 nan 0.000 0.469 396 S N 0.495 116.201 115.700 0.011 0.000 2.474 396 S HA -0.061 4.408 4.470 -0.000 0.000 0.235 396 S C 1.923 176.524 174.600 0.002 0.000 0.997 396 S CA 0.821 59.024 58.200 0.006 0.000 0.949 396 S CB -0.022 63.182 63.200 0.007 0.000 0.766 396 S HN 0.250 nan 8.310 nan 0.000 0.517 397 A N 2.006 124.828 122.820 0.003 0.000 2.238 397 A HA 0.202 4.522 4.320 -0.000 0.000 0.208 397 A C 1.162 178.740 177.584 -0.010 0.000 1.177 397 A CA -0.344 51.690 52.037 -0.005 0.000 0.804 397 A CB -0.599 18.401 19.000 -0.001 0.000 0.823 397 A HN 0.755 nan 8.150 nan 0.000 0.482 398 R N 0.551 121.050 120.500 -0.002 0.000 2.679 398 R HA 0.096 4.436 4.340 -0.000 0.000 0.268 398 R C -1.052 175.241 176.300 -0.012 0.000 1.044 398 R CA -0.142 55.957 56.100 -0.000 0.000 1.105 398 R CB 0.119 30.424 30.300 0.008 0.000 0.989 398 R HN 0.114 nan 8.270 nan 0.000 0.447 399 D N 3.103 123.495 120.400 -0.013 0.000 2.389 399 D HA 0.188 4.827 4.640 -0.000 0.000 0.247 399 D C -1.984 174.310 176.300 -0.010 0.000 1.128 399 D CA -1.255 52.730 54.000 -0.026 0.000 0.884 399 D CB 0.806 41.592 40.800 -0.023 0.000 1.194 399 D HN 0.384 nan 8.370 nan 0.000 0.441 400 P HA 0.046 nan 4.420 nan 0.000 0.270 400 P C -0.564 176.748 177.300 0.020 0.000 1.223 400 P CA -0.190 62.903 63.100 -0.012 0.000 0.785 400 P CB 0.409 32.085 31.700 -0.039 0.000 0.923 401 K N 0.827 121.242 120.400 0.025 0.000 2.561 401 K HA 0.013 4.333 4.320 -0.000 0.000 0.280 401 K C -0.276 176.398 176.600 0.123 0.000 0.975 401 K CA 0.669 56.985 56.287 0.048 0.000 1.024 401 K CB -0.053 32.448 32.500 0.003 0.000 0.883 401 K HN 0.358 nan 8.250 nan 0.000 0.496 402 F N 3.898 123.814 119.950 -0.056 0.000 2.382 402 F HA 0.199 4.726 4.527 -0.000 0.000 0.361 402 F C -0.380 175.351 175.800 -0.115 0.000 1.109 402 F CA -1.747 56.222 58.000 -0.051 0.000 1.031 402 F CB 0.493 39.506 39.000 0.022 0.000 1.234 402 F HN 0.360 nan 8.300 nan 0.000 0.445 403 N N 6.567 125.059 118.700 -0.346 0.000 2.401 403 N HA 0.139 4.879 4.740 -0.000 0.000 0.255 403 N C 0.984 176.019 175.510 -0.792 0.000 1.110 403 N CA 0.020 52.702 53.050 -0.614 0.000 0.949 403 N CB 0.702 38.727 38.487 -0.771 0.000 1.110 403 N HN 0.849 nan 8.380 nan 0.000 0.490 404 L N 2.499 123.290 121.223 -0.721 0.000 2.265 404 L HA -0.125 4.215 4.340 -0.000 0.000 0.215 404 L C 2.011 178.807 176.870 -0.124 0.000 1.117 404 L CA 0.984 55.504 54.840 -0.534 0.000 0.782 404 L CB -0.398 41.483 42.059 -0.298 0.000 0.914 404 L HN 0.580 nan 8.230 nan 0.000 0.441 405 A N -0.933 121.763 122.820 -0.207 0.000 2.178 405 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 405 A C 1.819 179.530 177.584 0.211 0.000 1.157 405 A CA 0.989 53.085 52.037 0.100 0.000 0.689 405 A CB -0.874 18.104 19.000 -0.036 0.000 0.787 405 A HN 0.528 nan 8.150 nan 0.000 0.465 406 H N -0.920 118.175 119.070 0.042 0.000 2.546 406 H HA 0.092 4.648 4.556 -0.000 0.000 0.277 406 H C 1.690 177.145 175.328 0.212 0.000 1.004 406 H CA 1.066 57.198 56.048 0.140 0.000 1.231 406 H CB 0.051 29.939 29.762 0.210 0.000 1.382 406 H HN 0.770 nan 8.280 nan 0.000 0.580 407 I N -2.058 118.684 120.570 0.286 0.000 4.592 407 I HA 0.260 4.429 4.170 -0.000 0.000 0.329 407 I C 0.102 176.275 176.117 0.094 0.000 1.309 407 I CA -0.314 61.138 61.300 0.253 0.000 1.243 407 I CB 0.889 39.088 38.000 0.332 0.000 1.241 407 I HN 0.036 nan 8.210 nan 0.000 0.434 408 E N 0.833 121.069 120.200 0.060 0.000 2.456 408 E HA 0.439 4.789 4.350 -0.000 0.000 0.278 408 E C -0.870 175.641 176.600 -0.148 0.000 1.034 408 E CA -0.947 55.393 56.400 -0.100 0.000 0.846 408 E CB 1.429 30.985 29.700 -0.240 0.000 1.460 408 E HN -0.105 nan 8.360 nan 0.000 0.463 409 K N -0.457 119.699 120.400 -0.407 0.000 2.391 409 K HA 0.214 4.534 4.320 -0.000 0.000 0.197 409 K C -0.432 175.578 176.600 -0.983 0.000 1.087 409 K CA 0.304 56.307 56.287 -0.474 0.000 1.012 409 K CB 0.812 33.171 32.500 -0.234 0.000 0.925 409 K HN 0.401 nan 8.250 nan 0.000 0.547 410 E N -0.213 119.281 120.200 -1.176 0.000 2.238 410 E HA 0.295 4.645 4.350 -0.000 0.000 0.267 410 E C -0.685 175.216 176.600 -1.165 0.000 0.887 410 E CA -0.447 55.373 56.400 -0.966 0.000 0.769 410 E CB 1.321 30.730 29.700 -0.485 0.000 1.187 410 E HN -0.022 nan 8.360 nan 0.000 0.416 411 F N -0.104 119.812 119.950 -0.055 0.000 2.856 411 F HA 0.198 4.725 4.527 -0.000 0.000 0.338 411 F C 0.316 176.174 175.800 0.095 0.000 1.100 411 F CA -0.539 57.435 58.000 -0.044 0.000 1.150 411 F CB 0.751 39.713 39.000 -0.063 0.000 1.101 411 F HN 0.274 nan 8.300 nan 0.000 0.548 412 E N 1.258 121.675 120.200 0.361 0.000 2.398 412 E HA 0.179 4.529 4.350 -0.000 0.000 0.263 412 E C -0.097 176.795 176.600 0.488 0.000 1.046 412 E CA -0.100 56.509 56.400 0.347 0.000 0.908 412 E CB 0.979 30.802 29.700 0.206 0.000 0.963 412 E HN -0.115 nan 8.360 nan 0.000 0.431 413 V N 3.893 123.989 119.914 0.304 0.000 2.470 413 V HA 0.183 4.303 4.120 -0.000 0.000 0.276 413 V C -0.557 175.755 176.094 0.365 0.000 1.040 413 V CA 0.192 62.688 62.300 0.326 0.000 1.008 413 V CB -0.308 31.626 31.823 0.185 0.000 0.990 413 V HN 0.582 nan 8.190 nan 0.000 0.477 414 W N 4.561 125.943 121.300 0.138 0.000 2.926 414 W HA 0.362 5.022 4.660 -0.000 0.000 0.361 414 W C -1.092 175.365 176.519 -0.104 0.000 1.195 414 W CA -1.386 55.840 57.345 -0.198 0.000 1.177 414 W CB 1.321 30.279 29.460 -0.838 0.000 1.453 414 W HN 0.546 nan 8.180 nan 0.000 0.571 415 N N 2.091 120.550 118.700 -0.402 0.000 2.602 415 N HA 0.138 4.878 4.740 -0.000 0.000 0.238 415 N C -1.064 174.107 175.510 -0.565 0.000 1.084 415 N CA -0.123 52.715 53.050 -0.354 0.000 0.952 415 N CB -0.138 38.149 38.487 -0.334 0.000 1.244 415 N HN 0.288 nan 8.380 nan 0.000 0.512 416 W N 1.135 122.319 121.300 -0.194 0.000 2.358 416 W HA 0.155 4.815 4.660 0.000 0.000 0.307 416 W C 0.616 177.073 176.519 -0.104 0.000 1.203 416 W CA -0.627 56.638 57.345 -0.133 0.000 1.279 416 W CB 0.568 30.038 29.460 0.016 0.000 1.264 416 W HN 0.360 nan 8.180 nan 0.000 0.474 417 D N 2.920 123.350 120.400 0.050 0.000 2.412 417 D HA -0.150 4.490 4.640 -0.000 0.000 0.257 417 D C 0.762 177.191 176.300 0.215 0.000 1.217 417 D CA 0.398 54.451 54.000 0.088 0.000 0.897 417 D CB 0.330 41.143 40.800 0.021 0.000 1.132 417 D HN 0.520 nan 8.370 nan 0.000 0.493 418 Y N 4.104 124.471 120.300 0.112 0.000 2.224 418 Y HA -0.197 4.353 4.550 -0.000 0.000 0.289 418 Y C 2.132 178.112 175.900 0.133 0.000 1.146 418 Y CA 1.065 59.246 58.100 0.134 0.000 1.182 418 Y CB 0.323 38.850 38.460 0.112 0.000 0.983 418 Y HN 0.425 nan 8.280 nan 0.000 0.524 419 R N -0.457 120.246 120.500 0.339 0.000 2.152 419 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 419 R C 2.333 178.748 176.300 0.191 0.000 1.117 419 R CA 0.842 57.103 56.100 0.268 0.000 0.981 419 R CB -0.374 30.060 30.300 0.223 0.000 0.870 419 R HN 0.334 nan 8.270 nan 0.000 0.451 420 A N 0.976 123.901 122.820 0.175 0.000 1.968 420 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 420 A C 1.675 179.334 177.584 0.125 0.000 1.169 420 A CA 1.553 53.674 52.037 0.140 0.000 0.638 420 A CB -0.196 18.896 19.000 0.154 0.000 0.812 420 A HN 0.258 nan 8.150 nan 0.000 0.446 421 D N -0.940 119.543 120.400 0.138 0.000 2.213 421 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 421 D C 0.077 176.440 176.300 0.105 0.000 0.961 421 D CA 0.906 54.952 54.000 0.077 0.000 0.853 421 D CB 0.216 41.012 40.800 -0.007 0.000 0.967 421 D HN 0.327 nan 8.370 nan 0.000 0.496 422 D N -0.941 119.573 120.400 0.190 0.000 2.891 422 D HA 0.083 4.723 4.640 -0.000 0.000 0.224 422 D C -0.988 175.327 176.300 0.025 0.000 1.321 422 D CA -0.242 53.855 54.000 0.163 0.000 0.929 422 D CB 1.439 42.451 40.800 0.353 0.000 1.551 422 D HN 0.038 nan 8.370 nan 0.000 0.574 423 S N 2.012 117.586 115.700 -0.211 0.000 2.843 423 S HA 0.112 4.582 4.470 -0.000 0.000 0.249 423 S C 0.108 174.085 174.600 -1.038 0.000 1.047 423 S CA -0.646 57.102 58.200 -0.754 0.000 1.042 423 S CB 0.307 63.261 63.200 -0.411 0.000 0.936 423 S HN 0.312 nan 8.310 nan 0.000 0.531 424 D N 1.663 121.739 120.400 -0.541 0.000 2.713 424 D HA 0.213 4.853 4.640 -0.000 0.000 0.229 424 D C 0.253 176.376 176.300 -0.295 0.000 1.136 424 D CA -0.583 53.246 54.000 -0.286 0.000 1.010 424 D CB -0.507 40.281 40.800 -0.020 0.000 1.084 424 D HN 0.507 nan 8.370 nan 0.000 0.495 425 Y N -0.134 119.966 120.300 -0.333 0.000 2.457 425 Y HA -0.073 4.477 4.550 -0.000 0.000 0.292 425 Y C 0.970 176.571 175.900 -0.498 0.000 1.125 425 Y CA 0.427 58.171 58.100 -0.594 0.000 1.254 425 Y CB 0.060 37.850 38.460 -1.116 0.000 1.012 425 Y HN 0.324 nan 8.280 nan 0.000 0.555 426 Y N -2.359 118.027 120.300 0.145 0.000 2.444 426 Y HA 0.049 4.599 4.550 -0.000 0.000 0.252 426 Y C 2.196 178.155 175.900 0.098 0.000 1.091 426 Y CA 0.083 58.255 58.100 0.120 0.000 1.276 426 Y CB -0.131 38.403 38.460 0.123 0.000 1.170 426 Y HN -0.100 nan 8.280 nan 0.000 0.517 427 T N 0.466 115.155 114.554 0.225 0.000 2.622 427 T HA -0.223 4.127 4.350 -0.000 0.000 0.266 427 T C 1.733 176.530 174.700 0.162 0.000 1.047 427 T CA 1.915 64.148 62.100 0.223 0.000 1.159 427 T CB -0.220 68.829 68.868 0.301 0.000 0.863 427 T HN 0.394 nan 8.240 nan 0.000 0.422 428 Q N 0.034 119.851 119.800 0.028 0.000 2.137 428 Q HA -0.012 4.328 4.340 -0.000 0.000 0.198 428 Q C -0.547 175.202 176.000 -0.418 0.000 0.960 428 Q CA 1.033 56.764 55.803 -0.121 0.000 0.847 428 Q CB -0.871 27.752 28.738 -0.192 0.000 0.915 428 Q HN 0.443 nan 8.270 nan 0.000 0.448 429 P HA -0.127 nan 4.420 nan 0.000 0.217 429 P C 1.318 178.695 177.300 0.127 0.000 1.150 429 P CA 1.768 64.749 63.100 -0.197 0.000 0.832 429 P CB -0.341 31.411 31.700 0.087 0.000 0.787 430 G N 0.066 108.970 108.800 0.174 0.000 2.421 430 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 430 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 430 G C 1.261 176.280 174.900 0.198 0.000 1.171 430 G CA 0.934 46.170 45.100 0.226 0.000 0.775 430 G HN 0.168 nan 8.290 nan 0.000 0.543 431 D N -0.884 119.601 120.400 0.143 0.000 2.144 431 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 431 D C 1.907 178.255 176.300 0.079 0.000 0.978 431 D CA 0.608 54.674 54.000 0.110 0.000 0.833 431 D CB -0.252 40.617 40.800 0.116 0.000 0.961 431 D HN 0.390 nan 8.370 nan 0.000 0.470 432 Y N 0.204 120.474 120.300 -0.050 0.000 2.163 432 Y HA -0.263 4.287 4.550 -0.000 0.000 0.288 432 Y C 2.280 178.190 175.900 0.015 0.000 1.136 432 Y CA 1.321 59.418 58.100 -0.005 0.000 1.147 432 Y CB -0.699 37.766 38.460 0.008 0.000 0.987 432 Y HN -0.009 nan 8.280 nan 0.000 0.509 433 Y N 1.112 121.323 120.300 -0.149 0.000 2.114 433 Y HA -0.287 4.263 4.550 -0.000 0.000 0.282 433 Y C 2.475 178.214 175.900 -0.268 0.000 1.165 433 Y CA 2.328 60.249 58.100 -0.297 0.000 1.148 433 Y CB -0.449 37.864 38.460 -0.246 0.000 0.972 433 Y HN 0.022 nan 8.280 nan 0.000 0.504 434 R N -0.158 120.314 120.500 -0.047 0.000 2.148 434 R HA -0.114 4.226 4.340 -0.000 0.000 0.227 434 R C 2.547 178.722 176.300 -0.209 0.000 1.103 434 R CA 1.215 57.250 56.100 -0.109 0.000 0.983 434 R CB -0.412 29.921 30.300 0.056 0.000 0.874 434 R HN 0.523 nan 8.270 nan 0.000 0.451 435 S N 0.408 115.973 115.700 -0.226 0.000 2.453 435 S HA 0.000 4.470 4.470 -0.000 0.000 0.231 435 S C 0.967 175.385 174.600 -0.304 0.000 1.005 435 S CA 0.184 58.253 58.200 -0.219 0.000 0.949 435 S CB -0.181 62.921 63.200 -0.163 0.000 0.774 435 S HN 0.105 nan 8.310 nan 0.000 0.510 436 L N 2.593 123.542 121.223 -0.458 0.000 2.426 436 L HA 0.349 4.689 4.340 -0.000 0.000 0.271 436 L C -2.188 174.468 176.870 -0.357 0.000 1.169 436 L CA -2.155 52.405 54.840 -0.466 0.000 0.836 436 L CB -0.077 41.614 42.059 -0.614 0.000 1.112 436 L HN 0.093 nan 8.230 nan 0.000 0.465 437 P HA 0.007 nan 4.420 nan 0.000 0.269 437 P C 0.146 177.307 177.300 -0.233 0.000 1.215 437 P CA -0.172 62.803 63.100 -0.208 0.000 0.780 437 P CB 0.741 32.346 31.700 -0.159 0.000 0.898 438 A N 2.765 125.478 122.820 -0.178 0.000 1.940 438 A HA -0.216 4.103 4.320 -0.000 0.000 0.219 438 A C 1.770 179.258 177.584 -0.161 0.000 1.176 438 A CA 1.994 53.930 52.037 -0.168 0.000 0.631 438 A CB -1.281 17.658 19.000 -0.101 0.000 0.814 438 A HN 0.696 nan 8.150 nan 0.000 0.446 439 D N -0.173 120.149 120.400 -0.131 0.000 2.144 439 D HA -0.237 4.403 4.640 -0.000 0.000 0.199 439 D C 1.707 177.912 176.300 -0.158 0.000 0.984 439 D CA 1.506 55.439 54.000 -0.111 0.000 0.834 439 D CB -0.643 40.115 40.800 -0.070 0.000 0.955 439 D HN 0.694 nan 8.370 nan 0.000 0.465 440 E N 1.159 121.233 120.200 -0.211 0.000 2.072 440 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 440 E C 2.016 178.411 176.600 -0.342 0.000 0.985 440 E CA 0.810 57.047 56.400 -0.271 0.000 0.801 440 E CB 0.104 29.622 29.700 -0.304 0.000 0.750 440 E HN 0.205 nan 8.360 nan 0.000 0.452 441 K N 0.282 120.424 120.400 -0.431 0.000 2.113 441 K HA -0.178 4.141 4.320 -0.000 0.000 0.208 441 K C 2.117 178.261 176.600 -0.759 0.000 1.047 441 K CA 1.427 57.334 56.287 -0.633 0.000 0.928 441 K CB -0.032 32.092 32.500 -0.628 0.000 0.716 441 K HN 0.120 nan 8.250 nan 0.000 0.446 442 E N 0.651 120.618 120.200 -0.389 0.000 2.107 442 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 442 E C 2.016 178.545 176.600 -0.118 0.000 0.982 442 E CA 0.890 57.177 56.400 -0.189 0.000 0.809 442 E CB -0.027 29.657 29.700 -0.027 0.000 0.756 442 E HN 0.282 nan 8.360 nan 0.000 0.459 443 R N 0.521 120.943 120.500 -0.130 0.000 2.081 443 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 443 R C 2.590 178.854 176.300 -0.059 0.000 1.131 443 R CA 0.979 57.040 56.100 -0.065 0.000 0.960 443 R CB -0.482 29.770 30.300 -0.080 0.000 0.856 443 R HN 0.131 nan 8.270 nan 0.000 0.436 444 L N 0.155 121.284 121.223 -0.157 0.000 2.017 444 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 444 L C 1.964 178.847 176.870 0.021 0.000 1.073 444 L CA 1.813 56.597 54.840 -0.093 0.000 0.745 444 L CB -0.309 41.637 42.059 -0.187 0.000 0.894 444 L HN 0.222 nan 8.230 nan 0.000 0.432 445 H N -1.229 117.864 119.070 0.038 0.000 2.353 445 H HA -0.240 4.316 4.556 -0.000 0.000 0.298 445 H C 1.809 177.177 175.328 0.066 0.000 1.103 445 H CA 1.504 57.582 56.048 0.051 0.000 1.293 445 H CB -0.093 29.702 29.762 0.055 0.000 1.372 445 H HN 0.515 nan 8.280 nan 0.000 0.501 446 D N -0.368 120.147 120.400 0.192 0.000 2.149 446 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 446 D C 2.023 178.394 176.300 0.117 0.000 0.972 446 D CA 1.415 55.528 54.000 0.188 0.000 0.835 446 D CB 0.008 40.920 40.800 0.187 0.000 0.966 446 D HN 0.165 nan 8.370 nan 0.000 0.476 447 T N -0.064 114.558 114.554 0.113 0.000 2.684 447 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 447 T C 1.996 176.805 174.700 0.180 0.000 1.036 447 T CA 1.101 63.278 62.100 0.128 0.000 1.148 447 T CB -0.210 68.740 68.868 0.138 0.000 0.863 447 T HN 0.200 nan 8.240 nan 0.000 0.436 448 I N 0.803 121.493 120.570 0.201 0.000 2.286 448 I HA -0.017 4.152 4.170 -0.000 0.000 0.245 448 I C 2.926 179.115 176.117 0.120 0.000 1.104 448 I CA 1.070 62.520 61.300 0.251 0.000 1.397 448 I CB -0.737 37.386 38.000 0.205 0.000 1.072 448 I HN 0.295 nan 8.210 nan 0.000 0.417 449 G N 0.437 109.280 108.800 0.073 0.000 2.442 449 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 449 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 449 G C 1.603 176.467 174.900 -0.060 0.000 1.141 449 G CA 0.624 45.748 45.100 0.040 0.000 0.763 449 G HN 0.318 nan 8.290 nan 0.000 0.554 450 E N 0.780 120.829 120.200 -0.253 0.000 2.110 450 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 450 E C 2.597 179.162 176.600 -0.058 0.000 0.988 450 E CA 1.263 57.361 56.400 -0.504 0.000 0.804 450 E CB -0.363 28.965 29.700 -0.620 0.000 0.745 450 E HN 0.356 nan 8.360 nan 0.000 0.458 451 S N 0.027 115.831 115.700 0.174 0.000 2.357 451 S HA -0.032 4.437 4.470 -0.000 0.000 0.221 451 S C 2.209 177.017 174.600 0.346 0.000 1.031 451 S CA 0.735 59.228 58.200 0.489 0.000 0.982 451 S CB -0.204 63.466 63.200 0.784 0.000 0.853 451 S HN 0.306 nan 8.310 nan 0.000 0.458 452 L N 1.269 122.498 121.223 0.011 0.000 2.265 452 L HA -0.033 4.307 4.340 -0.000 0.000 0.215 452 L C 2.731 179.528 176.870 -0.122 0.000 1.117 452 L CA 0.934 55.616 54.840 -0.264 0.000 0.782 452 L CB -0.569 41.254 42.059 -0.393 0.000 0.914 452 L HN 0.412 nan 8.230 nan 0.000 0.441 453 A N -1.054 121.693 122.820 -0.122 0.000 2.125 453 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 453 A C 1.879 179.297 177.584 -0.276 0.000 1.156 453 A CA 1.052 52.979 52.037 -0.185 0.000 0.671 453 A CB -0.660 18.229 19.000 -0.186 0.000 0.794 453 A HN 0.482 nan 8.150 nan 0.000 0.459 454 H N -1.024 117.956 119.070 -0.150 0.000 2.548 454 H HA 0.132 4.688 4.556 -0.000 0.000 0.268 454 H C 0.081 175.395 175.328 -0.024 0.000 0.975 454 H CA 0.355 56.302 56.048 -0.168 0.000 1.195 454 H CB -0.082 29.369 29.762 -0.518 0.000 1.397 454 H HN 0.221 nan 8.280 nan 0.000 0.572 455 V N 2.834 122.817 119.914 0.116 0.000 2.555 455 V HA -0.039 4.081 4.120 -0.000 0.000 0.286 455 V C 1.554 177.673 176.094 0.041 0.000 1.044 455 V CA 0.623 63.008 62.300 0.142 0.000 1.026 455 V CB 1.396 33.300 31.823 0.135 0.000 0.981 455 V HN 0.454 nan 8.190 nan 0.000 0.480 456 T N 0.472 115.023 114.554 -0.006 0.000 3.069 456 T HA 0.143 4.493 4.350 -0.000 0.000 0.252 456 T C 0.484 174.966 174.700 -0.364 0.000 1.053 456 T CA 0.130 62.116 62.100 -0.189 0.000 0.964 456 T CB -0.213 68.504 68.868 -0.251 0.000 1.005 456 T HN 0.671 nan 8.240 nan 0.000 0.532 457 H N 1.358 120.451 119.070 0.039 0.000 2.685 457 H HA 0.391 4.947 4.556 -0.000 0.000 0.307 457 H C 0.782 176.120 175.328 0.016 0.000 1.017 457 H CA -0.611 55.454 56.048 0.029 0.000 1.237 457 H CB 2.182 31.967 29.762 0.039 0.000 1.409 457 H HN 0.124 nan 8.280 nan 0.000 0.488 458 K N 2.999 123.446 120.400 0.079 0.000 2.113 458 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 458 K C 1.820 178.441 176.600 0.036 0.000 1.047 458 K CA 1.699 58.007 56.287 0.035 0.000 0.928 458 K CB 0.267 32.774 32.500 0.013 0.000 0.716 458 K HN 0.610 nan 8.250 nan 0.000 0.446 459 E N 0.082 120.318 120.200 0.060 0.000 2.110 459 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 459 E C 1.864 178.477 176.600 0.021 0.000 0.988 459 E CA 1.307 57.724 56.400 0.028 0.000 0.804 459 E CB -0.068 29.649 29.700 0.028 0.000 0.745 459 E HN 0.439 nan 8.360 nan 0.000 0.458 460 I N 0.310 120.919 120.570 0.065 0.000 2.202 460 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 460 I C 2.347 178.484 176.117 0.034 0.000 1.091 460 I CA 0.593 61.941 61.300 0.080 0.000 1.368 460 I CB -0.078 38.017 38.000 0.158 0.000 1.058 460 I HN 0.041 nan 8.210 nan 0.000 0.410 461 V N 0.848 120.765 119.914 0.006 0.000 2.295 461 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 461 V C 2.078 178.121 176.094 -0.084 0.000 1.049 461 V CA 2.065 64.327 62.300 -0.063 0.000 1.024 461 V CB -0.770 31.016 31.823 -0.062 0.000 0.648 461 V HN 0.396 nan 8.190 nan 0.000 0.447 462 D N 0.133 120.493 120.400 -0.067 0.000 2.123 462 D HA -0.175 4.464 4.640 -0.000 0.000 0.196 462 D C 2.215 178.422 176.300 -0.154 0.000 0.992 462 D CA 1.346 55.291 54.000 -0.091 0.000 0.833 462 D CB -0.290 40.471 40.800 -0.066 0.000 0.954 462 D HN 0.435 nan 8.370 nan 0.000 0.455 463 K N 0.007 120.312 120.400 -0.158 0.000 2.032 463 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 463 K C 2.186 178.485 176.600 -0.501 0.000 1.048 463 K CA 1.155 57.270 56.287 -0.287 0.000 0.927 463 K CB -0.086 32.319 32.500 -0.159 0.000 0.712 463 K HN -0.009 nan 8.250 nan 0.000 0.441 464 Q N 1.244 120.872 119.800 -0.287 0.000 2.046 464 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 464 Q C 1.903 177.568 176.000 -0.558 0.000 0.975 464 Q CA 1.335 56.934 55.803 -0.341 0.000 0.836 464 Q CB -0.203 28.427 28.738 -0.180 0.000 0.896 464 Q HN 0.256 nan 8.270 nan 0.000 0.428 465 L N 0.415 121.466 121.223 -0.287 0.000 2.043 465 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 465 L C 2.448 179.206 176.870 -0.186 0.000 1.075 465 L CA 1.455 56.224 54.840 -0.118 0.000 0.752 465 L CB -0.597 41.431 42.059 -0.052 0.000 0.891 465 L HN 0.270 nan 8.230 nan 0.000 0.432 466 E N -0.457 119.579 120.200 -0.273 0.000 2.070 466 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 466 E C 2.171 178.591 176.600 -0.300 0.000 1.004 466 E CA 1.319 57.551 56.400 -0.281 0.000 0.805 466 E CB -0.371 29.151 29.700 -0.297 0.000 0.744 466 E HN 0.560 nan 8.360 nan 0.000 0.451 467 H N -0.416 118.500 119.070 -0.258 0.000 2.352 467 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 467 H C 2.271 177.440 175.328 -0.265 0.000 1.097 467 H CA 1.023 56.939 56.048 -0.221 0.000 1.311 467 H CB -0.847 28.836 29.762 -0.131 0.000 1.377 467 H HN 0.253 nan 8.280 nan 0.000 0.504 468 F N 1.132 120.980 119.950 -0.170 0.000 2.171 468 F HA -0.140 4.387 4.527 -0.000 0.000 0.300 468 F C 2.715 178.312 175.800 -0.338 0.000 1.090 468 F CA 0.761 58.457 58.000 -0.507 0.000 1.293 468 F CB 0.019 38.566 39.000 -0.755 0.000 1.013 468 F HN 0.067 nan 8.300 nan 0.000 0.486 469 K N 1.240 121.594 120.400 -0.075 0.000 2.057 469 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 469 K C 1.835 178.364 176.600 -0.119 0.000 1.049 469 K CA 1.302 57.538 56.287 -0.085 0.000 0.931 469 K CB -0.079 32.364 32.500 -0.094 0.000 0.714 469 K HN 0.195 nan 8.250 nan 0.000 0.440 470 K N -0.076 120.174 120.400 -0.250 0.000 2.209 470 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 470 K C 2.031 178.539 176.600 -0.153 0.000 1.048 470 K CA 1.018 57.083 56.287 -0.371 0.000 0.940 470 K CB -0.003 31.895 32.500 -1.002 0.000 0.729 470 K HN 0.189 nan 8.250 nan 0.000 0.451 471 A N 0.902 123.721 122.820 -0.002 0.000 1.855 471 A HA -0.075 4.245 4.320 -0.000 0.000 0.213 471 A C 0.723 178.387 177.584 0.133 0.000 1.195 471 A CA 0.988 53.133 52.037 0.180 0.000 0.610 471 A CB 0.239 19.428 19.000 0.316 0.000 0.837 471 A HN 0.226 nan 8.150 nan 0.000 0.444 472 D N -3.130 117.316 120.400 0.078 0.000 2.871 472 D HA 0.269 4.909 4.640 -0.000 0.000 0.209 472 D C -2.622 173.687 176.300 0.014 0.000 1.292 472 D CA -1.153 52.878 54.000 0.052 0.000 0.869 472 D CB 1.628 42.456 40.800 0.048 0.000 1.663 472 D HN -0.205 nan 8.370 nan 0.000 0.557 473 P HA -0.116 nan 4.420 nan 0.000 0.216 473 P C 0.944 178.254 177.300 0.016 0.000 1.150 473 P CA 1.358 64.463 63.100 0.008 0.000 0.843 473 P CB 0.406 32.115 31.700 0.015 0.000 0.787 474 K N -1.969 118.466 120.400 0.059 0.000 2.217 474 K HA -0.132 4.188 4.320 -0.000 0.000 0.202 474 K C 2.204 178.850 176.600 0.078 0.000 1.051 474 K CA 0.878 57.220 56.287 0.093 0.000 0.952 474 K CB -0.510 32.108 32.500 0.197 0.000 0.736 474 K HN 0.273 nan 8.250 nan 0.000 0.453 475 Y N 1.205 121.343 120.300 -0.271 0.000 2.114 475 Y HA -0.297 4.253 4.550 -0.000 0.000 0.284 475 Y C 2.371 178.096 175.900 -0.291 0.000 1.143 475 Y CA 0.910 58.699 58.100 -0.519 0.000 1.135 475 Y CB 0.026 37.894 38.460 -0.988 0.000 0.980 475 Y HN 0.081 nan 8.280 nan 0.000 0.499 476 A N 0.674 123.471 122.820 -0.039 0.000 1.883 476 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 476 A C 1.880 179.419 177.584 -0.074 0.000 1.186 476 A CA 2.054 54.066 52.037 -0.042 0.000 0.624 476 A CB -0.821 18.171 19.000 -0.014 0.000 0.822 476 A HN 0.670 nan 8.150 nan 0.000 0.444 477 E N -0.629 119.523 120.200 -0.079 0.000 2.085 477 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 477 E C 2.120 178.613 176.600 -0.179 0.000 0.994 477 E CA 0.817 57.160 56.400 -0.095 0.000 0.801 477 E CB -0.429 29.233 29.700 -0.063 0.000 0.743 477 E HN 0.609 nan 8.360 nan 0.000 0.453 478 G N 1.046 109.626 108.800 -0.366 0.000 2.418 478 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 478 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 478 G C 1.768 176.401 174.900 -0.445 0.000 1.158 478 G CA 0.796 45.435 45.100 -0.768 0.000 0.771 478 G HN 0.133 nan 8.290 nan 0.000 0.545 479 V N 0.890 120.631 119.914 -0.287 0.000 2.343 479 V HA -0.154 3.966 4.120 -0.000 0.000 0.247 479 V C 2.671 178.733 176.094 -0.053 0.000 1.051 479 V CA 2.285 64.524 62.300 -0.103 0.000 1.036 479 V CB -0.387 31.321 31.823 -0.193 0.000 0.654 479 V HN 0.480 nan 8.190 nan 0.000 0.451 480 K N 0.415 120.777 120.400 -0.063 0.000 2.057 480 K HA -0.246 4.074 4.320 -0.000 0.000 0.207 480 K C 2.286 178.867 176.600 -0.031 0.000 1.049 480 K CA 1.852 58.117 56.287 -0.038 0.000 0.931 480 K CB -0.171 32.304 32.500 -0.041 0.000 0.714 480 K HN 0.365 nan 8.250 nan 0.000 0.440 481 K N -0.035 120.339 120.400 -0.045 0.000 2.057 481 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 481 K C 1.977 178.577 176.600 0.000 0.000 1.049 481 K CA 1.240 57.510 56.287 -0.028 0.000 0.931 481 K CB -0.167 32.311 32.500 -0.037 0.000 0.714 481 K HN 0.251 nan 8.250 nan 0.000 0.440 482 A N 1.210 124.051 122.820 0.035 0.000 1.930 482 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 482 A C 2.029 179.713 177.584 0.167 0.000 1.175 482 A CA 1.256 53.367 52.037 0.123 0.000 0.627 482 A CB -0.569 18.541 19.000 0.184 0.000 0.815 482 A HN 0.398 nan 8.150 nan 0.000 0.443 483 L N 0.181 121.455 121.223 0.084 0.000 2.012 483 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 483 L C 2.105 178.996 176.870 0.035 0.000 1.073 483 L CA 2.607 57.479 54.840 0.054 0.000 0.748 483 L CB -0.626 41.430 42.059 -0.005 0.000 0.891 483 L HN 0.515 nan 8.230 nan 0.000 0.431 484 E N -0.531 119.672 120.200 0.005 0.000 2.150 484 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 484 E C 2.102 178.683 176.600 -0.032 0.000 0.985 484 E CA 1.184 57.574 56.400 -0.017 0.000 0.814 484 E CB -0.153 29.533 29.700 -0.024 0.000 0.752 484 E HN 0.517 nan 8.360 nan 0.000 0.466 485 K N 0.410 120.780 120.400 -0.050 0.000 2.057 485 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 485 K C 1.884 178.369 176.600 -0.191 0.000 1.050 485 K CA 1.233 57.439 56.287 -0.135 0.000 0.935 485 K CB 0.032 32.415 32.500 -0.196 0.000 0.715 485 K HN 0.223 nan 8.250 nan 0.000 0.439 486 H N 0.298 119.344 119.070 -0.041 0.000 2.482 486 H HA 0.009 4.565 4.556 -0.000 0.000 0.286 486 H C 1.986 177.258 175.328 -0.094 0.000 1.017 486 H CA 0.942 56.952 56.048 -0.063 0.000 1.322 486 H CB 0.341 30.063 29.762 -0.066 0.000 1.426 486 H HN 0.398 nan 8.280 nan 0.000 0.546 487 Q N 0.775 120.584 119.800 0.015 0.000 2.079 487 Q HA -0.115 4.224 4.340 -0.000 0.000 0.200 487 Q C 2.284 178.261 176.000 -0.039 0.000 0.974 487 Q CA 1.043 56.826 55.803 -0.034 0.000 0.840 487 Q CB 0.182 28.899 28.738 -0.036 0.000 0.898 487 Q HN 0.269 nan 8.270 nan 0.000 0.430 488 K N 0.361 120.736 120.400 -0.041 0.000 2.057 488 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 488 K C 2.028 178.603 176.600 -0.041 0.000 1.049 488 K CA 1.071 57.332 56.287 -0.043 0.000 0.931 488 K CB 0.065 32.535 32.500 -0.050 0.000 0.714 488 K HN 0.202 nan 8.250 nan 0.000 0.440 489 M N 0.206 119.778 119.600 -0.048 0.000 2.213 489 M HA -0.110 4.369 4.480 -0.000 0.000 0.263 489 M C 1.319 177.607 176.300 -0.019 0.000 1.062 489 M CA 1.033 56.312 55.300 -0.035 0.000 1.105 489 M CB -0.176 32.402 32.600 -0.036 0.000 1.385 489 M HN 0.210 nan 8.290 nan 0.000 0.417 490 M N 0.000 119.583 119.600 -0.028 0.000 2.572 490 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 490 M CA 0.000 55.280 55.300 -0.034 0.000 0.988 490 M CB 0.000 32.551 32.600 -0.082 0.000 1.302 490 M HN 0.000 nan 8.290 nan 0.000 0.411