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 3ez6_1_A DATA FIRST_RESID 5 DATA SEQUENCE SQLHKVAQRA NRMLNVLTEQ VQLQKXXXXX XEFYQVYAKA ALAKLPLLTR DATA SEQUENCE ANVDYAVSEM EEKGYVFDKR PAGSSMKYAM SIQNIIDIYE HRGVPKYRDR DATA SEQUENCE YSEAYVIFIS NLKGGVSKTV STVSLAHAMR AHPHLLMEDL RILVIDLDPQ DATA SEQUENCE SSATMFLSHK HSIGIVNATS AQAMLQNVSR EELLEEFIVP SVVPGVDVMP DATA SEQUENCE ASIDDAFIAS DWRELCNEHL PGQNIHAVLK ENVIDKLKSD YDFILVDSGP DATA SEQUENCE HLDAFLKNAL ASANILFTPL PPATVDFHSS LKYVARLPEL VKLISDEGCE DATA SEQUENCE CQLATNIGFM SKLSNKADHK YCHSLAKEVF GGDMLDVFLP RLDGFERCGE DATA SEQUENCE SFDTVISANP ATYVGSADAL KNARIAAEDF AKAVFDRIEF IRSN 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.687 174.600 0.146 0.000 1.055 5 S CA 0.000 58.316 58.200 0.193 0.000 1.107 5 S CB 0.000 63.260 63.200 0.100 0.000 0.593 6 Q N 0.970 120.822 119.800 0.086 0.000 2.378 6 Q HA 0.235 4.575 4.340 -0.000 0.000 0.205 6 Q C 1.592 177.620 176.000 0.046 0.000 0.954 6 Q CA 0.883 56.720 55.803 0.057 0.000 0.901 6 Q CB 0.011 28.771 28.738 0.035 0.000 0.981 6 Q HN 0.611 nan 8.270 nan 0.000 0.483 7 L N -0.668 120.573 121.223 0.030 0.000 2.068 7 L HA -0.153 4.187 4.340 -0.000 0.000 0.204 7 L C 2.285 179.131 176.870 -0.040 0.000 1.076 7 L CA 0.830 55.650 54.840 -0.034 0.000 0.753 7 L CB -0.690 41.307 42.059 -0.103 0.000 0.910 7 L HN 0.376 nan 8.230 nan 0.000 0.439 8 H N 0.370 119.446 119.070 0.011 0.000 2.357 8 H HA -0.241 4.315 4.556 -0.000 0.000 0.296 8 H C 2.245 177.577 175.328 0.007 0.000 1.108 8 H CA 1.877 57.930 56.048 0.009 0.000 1.273 8 H CB 0.026 29.793 29.762 0.008 0.000 1.367 8 H HN 0.285 nan 8.280 nan 0.000 0.498 9 K N 0.437 120.917 120.400 0.134 0.000 1.973 9 K HA -0.117 4.202 4.320 -0.000 0.000 0.212 9 K C 2.328 178.956 176.600 0.045 0.000 1.047 9 K CA 1.432 57.763 56.287 0.074 0.000 0.937 9 K CB -0.393 32.141 32.500 0.057 0.000 0.721 9 K HN 0.057 nan 8.250 nan 0.000 0.440 10 V N 1.037 120.970 119.914 0.032 0.000 2.407 10 V HA -0.214 3.905 4.120 -0.000 0.000 0.248 10 V C 2.105 178.207 176.094 0.014 0.000 1.055 10 V CA 2.234 64.545 62.300 0.019 0.000 1.049 10 V CB -0.466 31.365 31.823 0.013 0.000 0.662 10 V HN 0.474 nan 8.190 nan 0.000 0.455 11 A N -1.029 121.795 122.820 0.007 0.000 1.978 11 A HA -0.275 4.045 4.320 -0.000 0.000 0.220 11 A C 2.096 179.687 177.584 0.011 0.000 1.170 11 A CA 2.072 54.109 52.037 -0.001 0.000 0.636 11 A CB -0.478 18.504 19.000 -0.030 0.000 0.810 11 A HN 0.727 nan 8.150 nan 0.000 0.448 12 Q N -0.917 118.899 119.800 0.026 0.000 2.083 12 Q HA -0.076 4.264 4.340 -0.000 0.000 0.198 12 Q C 2.347 178.357 176.000 0.018 0.000 0.969 12 Q CA 0.956 56.775 55.803 0.026 0.000 0.838 12 Q CB -0.158 28.603 28.738 0.037 0.000 0.900 12 Q HN 0.601 nan 8.270 nan 0.000 0.436 13 R N 0.437 120.948 120.500 0.018 0.000 2.091 13 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 13 R C 2.159 178.466 176.300 0.011 0.000 1.136 13 R CA 1.288 57.397 56.100 0.014 0.000 0.959 13 R CB -0.372 29.937 30.300 0.014 0.000 0.856 13 R HN 0.184 nan 8.270 nan 0.000 0.437 14 A N 0.694 123.521 122.820 0.011 0.000 2.067 14 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 14 A C 1.768 179.356 177.584 0.006 0.000 1.158 14 A CA 1.265 53.307 52.037 0.009 0.000 0.661 14 A CB -0.533 18.473 19.000 0.010 0.000 0.801 14 A HN 0.396 nan 8.150 nan 0.000 0.452 15 N N -0.780 117.923 118.700 0.005 0.000 2.173 15 N HA -0.094 4.645 4.740 -0.000 0.000 0.184 15 N C 1.957 177.468 175.510 0.002 0.000 1.025 15 N CA 0.805 53.856 53.050 0.001 0.000 0.852 15 N CB -0.066 38.422 38.487 0.002 0.000 0.998 15 N HN 0.427 nan 8.380 nan 0.000 0.427 16 R N -0.018 120.485 120.500 0.005 0.000 2.120 16 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 16 R C 1.954 178.257 176.300 0.004 0.000 1.123 16 R CA 0.901 57.004 56.100 0.005 0.000 0.975 16 R CB -0.141 30.162 30.300 0.006 0.000 0.866 16 R HN 0.325 nan 8.270 nan 0.000 0.446 17 M N 0.532 120.135 119.600 0.006 0.000 2.132 17 M HA -0.113 4.366 4.480 -0.000 0.000 0.263 17 M C 2.251 178.554 176.300 0.005 0.000 1.065 17 M CA 1.530 56.834 55.300 0.006 0.000 1.122 17 M CB -0.581 32.024 32.600 0.008 0.000 1.365 17 M HN 0.173 nan 8.290 nan 0.000 0.411 18 L N 0.136 121.361 121.223 0.004 0.000 1.976 18 L HA -0.266 4.074 4.340 -0.000 0.000 0.209 18 L C 2.145 179.015 176.870 0.001 0.000 1.071 18 L CA 1.129 55.971 54.840 0.003 0.000 0.746 18 L CB -0.890 41.170 42.059 0.001 0.000 0.890 18 L HN 0.316 nan 8.230 nan 0.000 0.432 19 N N -0.326 118.374 118.700 -0.000 0.000 2.192 19 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 19 N C 1.750 177.260 175.510 0.000 0.000 1.013 19 N CA 1.285 54.334 53.050 -0.001 0.000 0.863 19 N CB -0.416 38.070 38.487 -0.002 0.000 0.990 19 N HN 0.182 nan 8.380 nan 0.000 0.430 20 V N 1.391 121.306 119.914 0.002 0.000 2.302 20 V HA -0.082 4.038 4.120 -0.000 0.000 0.243 20 V C 2.375 178.471 176.094 0.003 0.000 1.036 20 V CA 0.969 63.271 62.300 0.003 0.000 1.020 20 V CB -0.388 31.437 31.823 0.004 0.000 0.657 20 V HN 0.184 nan 8.190 nan 0.000 0.453 21 L N -0.171 121.055 121.223 0.005 0.000 2.201 21 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 21 L C 2.529 179.402 176.870 0.005 0.000 1.105 21 L CA 1.599 56.443 54.840 0.006 0.000 0.775 21 L CB -0.913 41.151 42.059 0.008 0.000 0.913 21 L HN 0.378 nan 8.230 nan 0.000 0.440 22 T N -0.899 113.657 114.554 0.003 0.000 2.821 22 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 22 T C 1.495 176.195 174.700 -0.000 0.000 1.046 22 T CA 1.045 63.145 62.100 0.001 0.000 1.139 22 T CB -0.133 68.734 68.868 -0.002 0.000 0.871 22 T HN 0.392 nan 8.240 nan 0.000 0.454 23 E N 0.691 120.891 120.200 -0.001 0.000 2.512 23 E HA 0.002 4.352 4.350 -0.000 0.000 0.195 23 E C 2.046 178.646 176.600 -0.001 0.000 1.083 23 E CA 0.135 56.534 56.400 -0.002 0.000 0.873 23 E CB 0.131 29.829 29.700 -0.002 0.000 0.897 23 E HN 0.436 nan 8.360 nan 0.000 0.514 24 Q N 0.085 119.886 119.800 0.002 0.000 2.063 24 Q HA -0.043 4.296 4.340 -0.000 0.000 0.194 24 Q C 2.401 178.403 176.000 0.005 0.000 0.974 24 Q CA 0.657 56.462 55.803 0.004 0.000 0.827 24 Q CB -0.682 28.061 28.738 0.010 0.000 0.902 24 Q HN 0.219 nan 8.270 nan 0.000 0.462 25 V N 1.595 121.515 119.914 0.011 0.000 2.469 25 V HA -0.298 3.821 4.120 -0.000 0.000 0.251 25 V C 2.070 178.166 176.094 0.004 0.000 1.064 25 V CA 1.889 64.199 62.300 0.015 0.000 1.066 25 V CB -0.204 31.628 31.823 0.015 0.000 0.667 25 V HN 0.388 nan 8.190 nan 0.000 0.461 26 Q N -0.454 119.345 119.800 -0.001 0.000 2.046 26 Q HA -0.126 4.213 4.340 -0.000 0.000 0.200 26 Q C 2.178 178.173 176.000 -0.008 0.000 0.975 26 Q CA 1.899 57.699 55.803 -0.005 0.000 0.836 26 Q CB -0.232 28.502 28.738 -0.007 0.000 0.896 26 Q HN 0.576 nan 8.270 nan 0.000 0.428 27 L N 0.734 121.952 121.223 -0.008 0.000 2.456 27 L HA -0.173 4.167 4.340 -0.000 0.000 0.224 27 L C 2.263 179.121 176.870 -0.019 0.000 1.148 27 L CA 0.634 55.467 54.840 -0.012 0.000 0.825 27 L CB -0.252 41.801 42.059 -0.010 0.000 0.937 27 L HN 0.315 nan 8.230 nan 0.000 0.450 28 Q N 0.690 120.477 119.800 -0.022 0.000 1.994 28 Q HA -0.097 4.243 4.340 -0.000 0.000 0.198 28 Q C 0.910 176.887 176.000 -0.039 0.000 0.976 28 Q CA 0.874 56.651 55.803 -0.043 0.000 0.828 28 Q CB 0.024 28.730 28.738 -0.052 0.000 0.894 28 Q HN 0.544 nan 8.270 nan 0.000 0.432 37 F N 3.814 123.790 119.950 0.042 0.000 2.533 37 F HA 0.033 4.560 4.527 -0.000 0.000 0.378 37 F C 1.269 177.061 175.800 -0.014 0.000 1.070 37 F CA -0.457 57.546 58.000 0.005 0.000 1.172 37 F CB 0.003 38.969 39.000 -0.057 0.000 1.085 37 F HN 0.072 nan 8.300 nan 0.000 0.552 38 Y N 2.976 123.134 120.300 -0.237 0.000 2.165 38 Y HA -0.151 4.399 4.550 -0.001 0.000 0.286 38 Y C 1.206 176.790 175.900 -0.527 0.000 1.155 38 Y CA 1.036 58.946 58.100 -0.315 0.000 1.164 38 Y CB -1.189 37.150 38.460 -0.202 0.000 0.978 38 Y HN 0.574 nan 8.280 nan 0.000 0.513 39 Q N 1.946 120.390 119.800 -2.259 0.000 2.362 39 Q HA 0.192 4.532 4.340 -0.000 0.000 0.305 39 Q C -0.902 174.669 176.000 -0.715 0.000 1.120 39 Q CA 0.409 55.218 55.803 -1.657 0.000 1.011 39 Q CB 0.274 27.956 28.738 -1.760 0.000 1.048 39 Q HN 0.439 nan 8.270 nan 0.000 0.386 40 V N 1.599 121.260 119.914 -0.423 0.000 2.925 40 V HA 0.575 4.694 4.120 -0.000 0.000 0.311 40 V C -1.379 174.653 176.094 -0.103 0.000 1.104 40 V CA -1.088 61.142 62.300 -0.117 0.000 0.954 40 V CB 1.477 33.270 31.823 -0.050 0.000 1.022 40 V HN 0.573 nan 8.190 nan 0.000 0.427 41 Y N 1.543 121.811 120.300 -0.053 0.000 2.429 41 Y HA 0.804 5.354 4.550 -0.001 0.000 0.342 41 Y C 0.743 176.632 175.900 -0.018 0.000 1.004 41 Y CA -0.453 57.623 58.100 -0.039 0.000 1.075 41 Y CB 2.220 40.656 38.460 -0.040 0.000 1.214 41 Y HN 1.058 nan 8.280 nan 0.000 0.455 42 A N 2.977 125.877 122.820 0.134 0.000 2.388 42 A HA 0.186 4.505 4.320 -0.000 0.000 0.257 42 A C 1.464 179.080 177.584 0.053 0.000 1.095 42 A CA -0.496 51.591 52.037 0.083 0.000 0.791 42 A CB 0.592 19.620 19.000 0.047 0.000 1.029 42 A HN 1.044 nan 8.150 nan 0.000 0.489 43 K N 1.827 122.228 120.400 0.002 0.000 2.059 43 K HA -0.255 4.064 4.320 -0.000 0.000 0.212 43 K C 1.850 178.384 176.600 -0.111 0.000 1.050 43 K CA 2.047 58.249 56.287 -0.141 0.000 0.927 43 K CB -0.307 32.050 32.500 -0.238 0.000 0.714 43 K HN 0.796 nan 8.250 nan 0.000 0.447 44 A N 0.620 123.408 122.820 -0.053 0.000 2.019 44 A HA -0.053 4.266 4.320 -0.000 0.000 0.219 44 A C 2.230 179.801 177.584 -0.022 0.000 1.164 44 A CA 1.681 53.691 52.037 -0.044 0.000 0.644 44 A CB -0.613 18.374 19.000 -0.022 0.000 0.805 44 A HN 0.522 nan 8.150 nan 0.000 0.449 45 A N -0.113 122.717 122.820 0.018 0.000 2.067 45 A HA 0.042 4.361 4.320 -0.000 0.000 0.219 45 A C 1.977 179.592 177.584 0.051 0.000 1.158 45 A CA 1.156 53.236 52.037 0.072 0.000 0.661 45 A CB -0.525 18.576 19.000 0.168 0.000 0.801 45 A HN 0.496 nan 8.150 nan 0.000 0.452 46 L N -0.941 120.259 121.223 -0.039 0.000 2.191 46 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 46 L C 2.915 179.715 176.870 -0.118 0.000 1.103 46 L CA 0.903 55.661 54.840 -0.136 0.000 0.769 46 L CB -0.747 41.175 42.059 -0.228 0.000 0.908 46 L HN 0.443 nan 8.230 nan 0.000 0.438 47 A N 1.586 124.357 122.820 -0.083 0.000 2.070 47 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 47 A C 2.243 179.801 177.584 -0.043 0.000 1.159 47 A CA 1.688 53.684 52.037 -0.068 0.000 0.656 47 A CB -0.398 18.571 19.000 -0.052 0.000 0.800 47 A HN 0.597 nan 8.150 nan 0.000 0.453 48 K N -0.358 120.031 120.400 -0.019 0.000 2.486 48 K HA 0.212 4.532 4.320 -0.000 0.000 0.194 48 K C 0.116 176.698 176.600 -0.030 0.000 1.033 48 K CA 0.029 56.316 56.287 0.001 0.000 1.004 48 K CB -0.334 32.190 32.500 0.041 0.000 0.798 48 K HN 0.404 nan 8.250 nan 0.000 0.495 49 L N 2.658 123.845 121.223 -0.061 0.000 2.371 49 L HA 0.296 4.635 4.340 -0.000 0.000 0.272 49 L C -2.220 174.594 176.870 -0.092 0.000 1.124 49 L CA -2.647 52.135 54.840 -0.098 0.000 0.816 49 L CB 0.252 42.277 42.059 -0.058 0.000 1.129 49 L HN -0.116 nan 8.230 nan 0.000 0.448 50 P HA 0.010 nan 4.420 nan 0.000 0.265 50 P C 0.189 177.531 177.300 0.071 0.000 1.187 50 P CA -0.167 62.888 63.100 -0.076 0.000 0.766 50 P CB 0.454 32.072 31.700 -0.136 0.000 0.820 51 L N -0.789 120.466 121.223 0.054 0.000 5.174 51 L HA -0.234 4.106 4.340 -0.000 0.000 0.420 51 L C 0.092 176.978 176.870 0.028 0.000 0.973 51 L CA 1.260 56.149 54.840 0.081 0.000 1.381 51 L CB -2.245 39.922 42.059 0.180 0.000 1.819 51 L HN 0.415 nan 8.230 nan 0.000 0.645 52 L N -0.357 120.848 121.223 -0.030 0.000 2.325 52 L HA 0.691 5.030 4.340 -0.000 0.000 0.278 52 L C 0.721 177.544 176.870 -0.078 0.000 1.023 52 L CA 0.032 54.803 54.840 -0.115 0.000 0.811 52 L CB 1.844 43.758 42.059 -0.243 0.000 1.249 52 L HN 0.231 nan 8.230 nan 0.000 0.431 53 T N -2.039 112.472 114.554 -0.072 0.000 2.916 53 T HA 0.370 4.720 4.350 -0.000 0.000 0.292 53 T C 0.591 175.253 174.700 -0.065 0.000 1.064 53 T CA -0.871 61.200 62.100 -0.049 0.000 1.011 53 T CB 2.272 71.129 68.868 -0.020 0.000 1.152 53 T HN 0.499 nan 8.240 nan 0.000 0.510 54 R N 1.173 121.640 120.500 -0.057 0.000 2.103 54 R HA -0.037 4.303 4.340 -0.000 0.000 0.242 54 R C 2.351 178.605 176.300 -0.077 0.000 1.142 54 R CA 2.429 58.486 56.100 -0.072 0.000 0.960 54 R CB -1.345 28.922 30.300 -0.055 0.000 0.858 54 R HN 0.838 nan 8.270 nan 0.000 0.439 55 A N 0.924 123.722 122.820 -0.037 0.000 1.872 55 A HA -0.169 4.151 4.320 -0.000 0.000 0.214 55 A C 1.833 179.456 177.584 0.066 0.000 1.187 55 A CA 1.585 53.617 52.037 -0.008 0.000 0.614 55 A CB -0.934 18.104 19.000 0.063 0.000 0.826 55 A HN 0.766 nan 8.150 nan 0.000 0.442 56 N N -0.209 118.534 118.700 0.073 0.000 2.459 56 N HA -0.077 4.663 4.740 -0.000 0.000 0.181 56 N C 1.305 176.819 175.510 0.007 0.000 1.046 56 N CA 1.260 54.371 53.050 0.102 0.000 0.904 56 N CB -0.154 38.355 38.487 0.036 0.000 0.964 56 N HN 0.237 nan 8.380 nan 0.000 0.444 57 V N 1.630 121.489 119.914 -0.090 0.000 2.407 57 V HA -0.145 3.974 4.120 -0.000 0.000 0.245 57 V C 1.756 177.723 176.094 -0.212 0.000 1.041 57 V CA 1.615 63.803 62.300 -0.187 0.000 1.040 57 V CB -0.470 31.213 31.823 -0.234 0.000 0.671 57 V HN 0.198 nan 8.190 nan 0.000 0.455 58 D N -0.613 119.671 120.400 -0.192 0.000 2.097 58 D HA -0.178 4.462 4.640 -0.000 0.000 0.195 58 D C 2.054 178.226 176.300 -0.213 0.000 0.989 58 D CA 1.620 55.473 54.000 -0.245 0.000 0.827 58 D CB -0.292 40.344 40.800 -0.274 0.000 0.966 58 D HN 0.539 nan 8.370 nan 0.000 0.456 59 Y N 1.134 121.374 120.300 -0.099 0.000 2.200 59 Y HA -0.146 4.404 4.550 -0.001 0.000 0.290 59 Y C 2.494 178.345 175.900 -0.082 0.000 1.137 59 Y CA 1.114 59.178 58.100 -0.061 0.000 1.163 59 Y CB -0.304 38.141 38.460 -0.025 0.000 0.988 59 Y HN -0.075 nan 8.280 nan 0.000 0.518 60 A N -0.218 122.626 122.820 0.041 0.000 1.851 60 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 60 A C 2.368 179.799 177.584 -0.255 0.000 1.195 60 A CA 2.161 54.116 52.037 -0.136 0.000 0.622 60 A CB -1.323 17.597 19.000 -0.133 0.000 0.831 60 A HN 0.226 nan 8.150 nan 0.000 0.444 61 V N -0.292 119.474 119.914 -0.248 0.000 2.324 61 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 61 V C 2.840 178.900 176.094 -0.057 0.000 1.060 61 V CA 2.468 64.606 62.300 -0.270 0.000 1.042 61 V CB -0.862 30.570 31.823 -0.652 0.000 0.650 61 V HN 0.674 nan 8.190 nan 0.000 0.450 62 S N -0.770 114.882 115.700 -0.080 0.000 2.356 62 S HA -0.233 4.237 4.470 -0.000 0.000 0.223 62 S C 1.981 176.605 174.600 0.040 0.000 1.032 62 S CA 1.991 60.188 58.200 -0.006 0.000 1.005 62 S CB -0.215 62.964 63.200 -0.034 0.000 0.867 62 S HN 0.731 nan 8.310 nan 0.000 0.449 63 E N 0.262 120.480 120.200 0.030 0.000 2.106 63 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 63 E C 2.214 178.830 176.600 0.026 0.000 0.984 63 E CA 1.321 57.761 56.400 0.066 0.000 0.806 63 E CB -0.154 29.642 29.700 0.159 0.000 0.750 63 E HN 0.566 nan 8.360 nan 0.000 0.458 64 M N 0.375 119.904 119.600 -0.118 0.000 2.132 64 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 64 M C 2.071 178.422 176.300 0.085 0.000 1.065 64 M CA 1.365 56.604 55.300 -0.101 0.000 1.122 64 M CB -0.243 32.160 32.600 -0.329 0.000 1.365 64 M HN 0.055 nan 8.290 nan 0.000 0.411 65 E N 0.619 120.920 120.200 0.168 0.000 2.038 65 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 65 E C 1.866 178.545 176.600 0.132 0.000 1.000 65 E CA 1.567 58.093 56.400 0.209 0.000 0.803 65 E CB -0.290 29.561 29.700 0.253 0.000 0.750 65 E HN 0.533 nan 8.360 nan 0.000 0.448 66 E N 0.840 121.103 120.200 0.105 0.000 2.273 66 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 66 E C 1.240 177.886 176.600 0.077 0.000 1.002 66 E CA 0.961 57.411 56.400 0.082 0.000 0.828 66 E CB 0.216 29.960 29.700 0.074 0.000 0.747 66 E HN -0.053 nan 8.360 nan 0.000 0.491 67 K N -0.821 119.632 120.400 0.089 0.000 2.410 67 K HA 0.104 4.424 4.320 -0.000 0.000 0.200 67 K C 0.817 177.466 176.600 0.081 0.000 1.023 67 K CA 0.673 57.011 56.287 0.084 0.000 1.149 67 K CB 1.059 33.619 32.500 0.101 0.000 0.859 67 K HN 0.317 nan 8.250 nan 0.000 0.514 68 G N 1.007 109.855 108.800 0.080 0.000 2.176 68 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.232 68 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.232 68 G C -0.201 174.723 174.900 0.040 0.000 0.986 68 G CA -0.223 44.908 45.100 0.051 0.000 0.643 68 G HN 0.372 nan 8.290 nan 0.000 0.522 69 Y N 0.697 120.956 120.300 -0.069 0.000 2.309 69 Y HA 0.512 5.062 4.550 -0.001 0.000 0.327 69 Y C 0.244 176.033 175.900 -0.185 0.000 1.172 69 Y CA -0.188 57.802 58.100 -0.183 0.000 1.280 69 Y CB 1.376 39.653 38.460 -0.305 0.000 1.234 69 Y HN 0.130 nan 8.280 nan 0.000 0.512 70 V N 7.314 126.959 119.914 -0.447 0.000 2.443 70 V HA 0.278 4.397 4.120 -0.000 0.000 0.293 70 V C -0.755 175.192 176.094 -0.246 0.000 1.021 70 V CA -0.952 61.239 62.300 -0.182 0.000 0.848 70 V CB 0.830 32.569 31.823 -0.141 0.000 0.998 70 V HN 0.558 nan 8.190 nan 0.000 0.424 71 F N 1.685 121.769 119.950 0.222 0.000 2.370 71 F HA 0.441 4.968 4.527 -0.001 0.000 0.324 71 F C 0.850 176.751 175.800 0.168 0.000 1.116 71 F CA -0.503 57.668 58.000 0.285 0.000 1.123 71 F CB 0.681 39.944 39.000 0.439 0.000 1.238 71 F HN 0.427 nan 8.300 nan 0.000 0.536 72 D N 2.109 122.721 120.400 0.354 0.000 2.389 72 D HA 0.269 4.909 4.640 -0.000 0.000 0.247 72 D C -0.395 176.017 176.300 0.187 0.000 1.128 72 D CA 0.210 54.329 54.000 0.199 0.000 0.884 72 D CB 0.661 41.558 40.800 0.163 0.000 1.194 72 D HN 0.369 nan 8.370 nan 0.000 0.441 73 K N 1.937 122.385 120.400 0.080 0.000 2.512 73 K HA 0.647 4.967 4.320 -0.000 0.000 0.263 73 K C -0.398 176.202 176.600 -0.000 0.000 0.966 73 K CA -0.902 55.389 56.287 0.007 0.000 0.851 73 K CB 2.891 35.331 32.500 -0.100 0.000 1.395 73 K HN 0.157 nan 8.250 nan 0.000 0.440 74 R N 1.702 122.193 120.500 -0.015 0.000 2.522 74 R HA 0.258 4.598 4.340 -0.000 0.000 0.273 74 R C -2.863 173.424 176.300 -0.021 0.000 1.133 74 R CA -1.707 54.387 56.100 -0.010 0.000 0.969 74 R CB 2.321 32.626 30.300 0.007 0.000 1.235 74 R HN 0.470 nan 8.270 nan 0.000 0.433 75 P HA 0.058 nan 4.420 nan 0.000 0.268 75 P C -0.557 176.734 177.300 -0.016 0.000 1.204 75 P CA -0.089 62.996 63.100 -0.024 0.000 0.768 75 P CB 1.177 32.864 31.700 -0.022 0.000 0.842 76 A N 2.060 124.870 122.820 -0.016 0.000 2.911 76 A HA 0.600 4.920 4.320 -0.000 0.000 0.304 76 A C 1.100 178.678 177.584 -0.011 0.000 1.144 76 A CA 0.329 52.360 52.037 -0.011 0.000 0.988 76 A CB -0.673 18.322 19.000 -0.009 0.000 1.141 76 A HN 0.712 nan 8.150 nan 0.000 0.552 77 G N -0.503 108.291 108.800 -0.011 0.000 3.753 77 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.196 77 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.196 77 G C 1.066 175.959 174.900 -0.011 0.000 1.538 77 G CA 0.833 45.927 45.100 -0.010 0.000 1.040 77 G HN 1.536 nan 8.290 nan 0.000 0.427 78 S N -1.000 114.692 115.700 -0.014 0.000 3.916 78 S HA 0.505 4.975 4.470 -0.000 0.000 0.231 78 S C 1.060 175.647 174.600 -0.021 0.000 1.161 78 S CA 1.445 59.636 58.200 -0.015 0.000 0.938 78 S CB -0.001 63.191 63.200 -0.013 0.000 1.170 78 S HN 1.439 nan 8.310 nan 0.000 0.508 79 S N 0.881 116.567 115.700 -0.024 0.000 2.617 79 S HA 0.576 5.045 4.470 -0.000 0.000 0.255 79 S C -0.248 174.326 174.600 -0.043 0.000 1.318 79 S CA -0.274 57.906 58.200 -0.033 0.000 0.978 79 S CB 0.412 63.593 63.200 -0.031 0.000 0.961 79 S HN 0.551 nan 8.310 nan 0.000 0.582 80 M N 2.203 121.764 119.600 -0.064 0.000 2.022 80 M HA 0.377 4.857 4.480 -0.000 0.000 0.298 80 M C -0.945 175.269 176.300 -0.143 0.000 0.909 80 M CA -0.497 54.750 55.300 -0.088 0.000 0.914 80 M CB 0.762 33.307 32.600 -0.092 0.000 1.486 80 M HN 0.594 nan 8.290 nan 0.000 0.415 81 K N 2.324 122.658 120.400 -0.110 0.000 2.362 81 K HA 0.416 4.736 4.320 -0.000 0.000 0.245 81 K C -1.194 175.300 176.600 -0.176 0.000 1.040 81 K CA -0.477 55.740 56.287 -0.118 0.000 0.961 81 K CB 0.560 33.052 32.500 -0.013 0.000 1.252 81 K HN 0.426 nan 8.250 nan 0.000 0.503 82 Y N -0.340 119.951 120.300 -0.015 0.000 2.310 82 Y HA 0.371 4.920 4.550 -0.000 0.000 0.326 82 Y C 0.120 176.027 175.900 0.011 0.000 1.151 82 Y CA -0.553 57.542 58.100 -0.008 0.000 1.195 82 Y CB 1.596 40.012 38.460 -0.073 0.000 1.210 82 Y HN 0.590 nan 8.280 nan 0.000 0.483 83 A N 4.987 127.927 122.820 0.200 0.000 3.258 83 A HA 0.391 4.711 4.320 -0.000 0.000 0.318 83 A C -0.595 177.093 177.584 0.174 0.000 0.990 83 A CA -0.754 51.365 52.037 0.137 0.000 0.885 83 A CB -0.271 18.779 19.000 0.084 0.000 1.090 83 A HN 0.625 nan 8.150 nan 0.000 0.479 84 M N 2.193 121.907 119.600 0.190 0.000 2.284 84 M HA 0.100 4.579 4.480 -0.000 0.000 0.351 84 M C 0.923 177.341 176.300 0.196 0.000 1.443 84 M CA 0.493 55.911 55.300 0.196 0.000 1.031 84 M CB -0.212 32.447 32.600 0.098 0.000 1.893 84 M HN 0.736 nan 8.290 nan 0.000 0.456 85 S N 3.302 119.118 115.700 0.193 0.000 2.669 85 S HA 0.458 4.928 4.470 -0.000 0.000 0.270 85 S C 1.370 176.069 174.600 0.164 0.000 1.225 85 S CA -1.011 57.290 58.200 0.168 0.000 0.991 85 S CB 1.305 64.597 63.200 0.154 0.000 0.987 85 S HN 0.556 nan 8.310 nan 0.000 0.552 86 I N 0.612 121.290 120.570 0.179 0.000 2.208 86 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 86 I C 2.735 178.929 176.117 0.127 0.000 1.097 86 I CA 1.452 62.842 61.300 0.151 0.000 1.363 86 I CB -1.651 36.468 38.000 0.197 0.000 1.051 86 I HN 0.657 nan 8.210 nan 0.000 0.413 87 Q N 1.100 120.986 119.800 0.143 0.000 2.061 87 Q HA -0.164 4.175 4.340 -0.000 0.000 0.204 87 Q C 2.010 178.113 176.000 0.172 0.000 0.984 87 Q CA 1.395 57.283 55.803 0.142 0.000 0.846 87 Q CB -0.494 28.324 28.738 0.134 0.000 0.902 87 Q HN 0.533 nan 8.270 nan 0.000 0.421 88 N N 0.246 119.075 118.700 0.214 0.000 2.043 88 N HA -0.144 4.596 4.740 -0.000 0.000 0.193 88 N C 2.016 177.630 175.510 0.174 0.000 1.037 88 N CA 1.321 54.550 53.050 0.297 0.000 0.851 88 N CB -0.431 38.329 38.487 0.455 0.000 1.027 88 N HN 0.312 nan 8.380 nan 0.000 0.422 89 I N 1.242 121.864 120.570 0.087 0.000 2.163 89 I HA -0.250 3.919 4.170 -0.000 0.000 0.243 89 I C 2.172 178.356 176.117 0.111 0.000 1.085 89 I CA 1.092 62.388 61.300 -0.008 0.000 1.347 89 I CB -0.372 37.572 38.000 -0.093 0.000 1.044 89 I HN 0.044 nan 8.210 nan 0.000 0.408 90 I N 0.782 121.451 120.570 0.165 0.000 2.264 90 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 90 I C 1.991 178.210 176.117 0.170 0.000 1.111 90 I CA 1.389 62.810 61.300 0.202 0.000 1.382 90 I CB -0.450 37.628 38.000 0.130 0.000 1.060 90 I HN 0.258 nan 8.210 nan 0.000 0.418 91 D N 0.659 121.127 120.400 0.114 0.000 2.183 91 D HA -0.065 4.574 4.640 -0.000 0.000 0.203 91 D C 2.267 178.577 176.300 0.017 0.000 0.969 91 D CA 1.088 55.123 54.000 0.058 0.000 0.842 91 D CB -0.035 40.777 40.800 0.021 0.000 0.957 91 D HN 0.344 nan 8.370 nan 0.000 0.484 92 I N -0.059 120.504 120.570 -0.011 0.000 2.252 92 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 92 I C 2.064 178.186 176.117 0.008 0.000 1.102 92 I CA 0.982 62.242 61.300 -0.067 0.000 1.385 92 I CB -0.207 37.687 38.000 -0.177 0.000 1.064 92 I HN 0.013 nan 8.210 nan 0.000 0.414 93 Y N 0.727 121.028 120.300 0.002 0.000 2.224 93 Y HA -0.277 4.273 4.550 -0.000 0.000 0.289 93 Y C 2.698 178.611 175.900 0.022 0.000 1.146 93 Y CA 1.589 59.692 58.100 0.005 0.000 1.182 93 Y CB -0.115 38.340 38.460 -0.008 0.000 0.983 93 Y HN 0.203 nan 8.280 nan 0.000 0.524 94 E N -0.474 119.847 120.200 0.202 0.000 2.072 94 E HA -0.303 4.047 4.350 -0.000 0.000 0.191 94 E C 1.863 178.524 176.600 0.101 0.000 0.985 94 E CA 1.310 57.783 56.400 0.121 0.000 0.801 94 E CB -0.202 29.556 29.700 0.097 0.000 0.750 94 E HN 0.605 nan 8.360 nan 0.000 0.452 95 H N 0.140 119.215 119.070 0.009 0.000 2.456 95 H HA 0.040 4.596 4.556 -0.001 0.000 0.296 95 H C 1.290 176.614 175.328 -0.007 0.000 1.079 95 H CA 1.313 57.352 56.048 -0.016 0.000 1.322 95 H CB 0.241 29.973 29.762 -0.051 0.000 1.388 95 H HN -0.030 nan 8.280 nan 0.000 0.538 96 R N -0.440 120.120 120.500 0.101 0.000 2.391 96 R HA 0.137 4.477 4.340 -0.000 0.000 0.249 96 R C 0.720 177.032 176.300 0.020 0.000 0.957 96 R CA 0.439 56.566 56.100 0.045 0.000 1.093 96 R CB 0.399 30.739 30.300 0.067 0.000 1.156 96 R HN 0.533 nan 8.270 nan 0.000 0.526 97 G N 0.882 109.684 108.800 0.003 0.000 2.179 97 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.257 97 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.257 97 G C 0.115 175.029 174.900 0.024 0.000 1.010 97 G CA 0.131 45.229 45.100 -0.002 0.000 0.736 97 G HN 0.187 nan 8.290 nan 0.000 0.513 98 V N 2.955 122.907 119.914 0.065 0.000 2.389 98 V HA 0.366 4.486 4.120 -0.000 0.000 0.264 98 V C -0.758 175.347 176.094 0.018 0.000 1.049 98 V CA -1.265 61.068 62.300 0.055 0.000 0.932 98 V CB 1.131 33.024 31.823 0.117 0.000 1.011 98 V HN 0.319 nan 8.190 nan 0.000 0.475 99 P HA 0.216 nan 4.420 nan 0.000 0.269 99 P C -0.502 176.794 177.300 -0.007 0.000 1.215 99 P CA -0.345 62.748 63.100 -0.011 0.000 0.780 99 P CB 1.064 32.746 31.700 -0.029 0.000 0.898 100 K N 0.913 121.319 120.400 0.010 0.000 2.090 100 K HA 0.123 4.443 4.320 -0.000 0.000 0.250 100 K C 1.175 177.835 176.600 0.100 0.000 1.004 100 K CA -0.433 55.883 56.287 0.049 0.000 0.919 100 K CB 0.286 32.817 32.500 0.051 0.000 1.045 100 K HN 0.368 nan 8.250 nan 0.000 0.471 101 Y N 2.371 122.693 120.300 0.037 0.000 2.151 101 Y HA -0.286 4.264 4.550 -0.001 0.000 0.284 101 Y C 2.227 178.165 175.900 0.063 0.000 1.166 101 Y CA 1.770 59.929 58.100 0.099 0.000 1.163 101 Y CB 0.132 38.686 38.460 0.156 0.000 0.974 101 Y HN 0.539 nan 8.280 nan 0.000 0.511 102 R N -0.093 120.491 120.500 0.140 0.000 2.293 102 R HA -0.142 4.198 4.340 -0.000 0.000 0.219 102 R C 0.806 177.073 176.300 -0.054 0.000 1.091 102 R CA 1.607 57.729 56.100 0.036 0.000 1.004 102 R CB -0.524 29.809 30.300 0.055 0.000 0.865 102 R HN 0.360 nan 8.270 nan 0.000 0.469 103 D N 1.323 121.678 120.400 -0.076 0.000 2.347 103 D HA -0.066 4.573 4.640 -0.000 0.000 0.213 103 D C 1.756 177.937 176.300 -0.200 0.000 0.985 103 D CA 0.832 54.768 54.000 -0.106 0.000 0.879 103 D CB 0.179 40.935 40.800 -0.073 0.000 0.919 103 D HN 0.599 nan 8.370 nan 0.000 0.526 104 R N -1.010 119.285 120.500 -0.342 0.000 2.369 104 R HA 0.063 4.403 4.340 -0.000 0.000 0.210 104 R C -0.190 175.624 176.300 -0.810 0.000 0.881 104 R CA -0.087 55.670 56.100 -0.572 0.000 1.031 104 R CB 0.249 30.135 30.300 -0.691 0.000 1.184 104 R HN -0.069 nan 8.270 nan 0.000 0.581 105 Y N 0.460 120.548 120.300 -0.353 0.000 2.350 105 Y HA 0.386 4.935 4.550 -0.000 0.000 0.338 105 Y C 0.878 176.671 175.900 -0.178 0.000 0.961 105 Y CA -1.016 56.898 58.100 -0.311 0.000 1.100 105 Y CB 2.357 40.519 38.460 -0.496 0.000 1.179 105 Y HN -0.112 nan 8.280 nan 0.000 0.454 106 S N 1.391 117.112 115.700 0.035 0.000 2.486 106 S HA 0.158 4.627 4.470 -0.000 0.000 0.220 106 S C 0.149 174.778 174.600 0.047 0.000 1.011 106 S CA 0.324 58.537 58.200 0.021 0.000 0.921 106 S CB 0.096 63.297 63.200 0.001 0.000 0.785 106 S HN 0.759 nan 8.310 nan 0.000 0.517 107 E N 0.673 120.917 120.200 0.074 0.000 2.212 107 E HA 0.626 4.976 4.350 -0.000 0.000 0.268 107 E C -0.784 175.875 176.600 0.099 0.000 0.902 107 E CA -0.687 55.761 56.400 0.080 0.000 0.779 107 E CB 1.936 31.684 29.700 0.081 0.000 1.172 107 E HN 0.353 nan 8.360 nan 0.000 0.409 108 A N 2.507 125.392 122.820 0.108 0.000 2.498 108 A HA 0.052 4.371 4.320 -0.000 0.000 0.239 108 A C -1.085 176.604 177.584 0.175 0.000 1.068 108 A CA 0.356 52.470 52.037 0.127 0.000 0.766 108 A CB 0.027 19.123 19.000 0.159 0.000 1.003 108 A HN 0.682 nan 8.150 nan 0.000 0.497 109 Y N 1.902 122.211 120.300 0.016 0.000 2.330 109 Y HA 0.467 5.017 4.550 -0.000 0.000 0.336 109 Y C -0.254 175.763 175.900 0.195 0.000 1.036 109 Y CA -0.579 57.576 58.100 0.092 0.000 1.125 109 Y CB 1.494 40.022 38.460 0.113 0.000 1.194 109 Y HN 0.445 nan 8.280 nan 0.000 0.469 110 V N 7.800 127.636 119.914 -0.131 0.000 2.370 110 V HA 0.289 4.409 4.120 -0.000 0.000 0.279 110 V C -0.028 176.041 176.094 -0.042 0.000 1.029 110 V CA -0.600 61.675 62.300 -0.042 0.000 0.870 110 V CB 0.860 32.640 31.823 -0.072 0.000 0.984 110 V HN 0.600 nan 8.190 nan 0.000 0.451 111 I N 5.332 125.971 120.570 0.115 0.000 2.392 111 I HA 0.446 4.615 4.170 -0.000 0.000 0.295 111 I C -0.887 175.398 176.117 0.279 0.000 0.985 111 I CA -0.391 61.027 61.300 0.197 0.000 1.221 111 I CB 1.614 39.706 38.000 0.152 0.000 1.366 111 I HN 0.505 nan 8.210 nan 0.000 0.467 112 F N 7.831 127.859 119.950 0.129 0.000 2.610 112 F HA 0.516 5.042 4.527 -0.001 0.000 0.355 112 F C -0.624 175.290 175.800 0.190 0.000 1.140 112 F CA -1.181 56.887 58.000 0.113 0.000 1.037 112 F CB 0.815 39.857 39.000 0.070 0.000 1.287 112 F HN 0.194 nan 8.300 nan 0.000 0.457 113 I N 4.910 125.504 120.570 0.039 0.000 2.308 113 I HA 0.215 4.385 4.170 -0.000 0.000 0.293 113 I C 0.239 176.101 176.117 -0.425 0.000 1.078 113 I CA 0.035 61.316 61.300 -0.030 0.000 1.292 113 I CB 0.507 38.576 38.000 0.115 0.000 1.423 113 I HN 0.516 nan 8.210 nan 0.000 0.493 114 S N 6.049 121.421 115.700 -0.546 0.000 2.568 114 S HA 0.653 5.122 4.470 -0.000 0.000 0.293 114 S C -0.921 173.464 174.600 -0.358 0.000 1.089 114 S CA -0.590 57.219 58.200 -0.652 0.000 0.945 114 S CB 1.713 64.238 63.200 -1.126 0.000 1.077 114 S HN 0.627 nan 8.310 nan 0.000 0.485 115 N N 2.773 121.148 118.700 -0.541 0.000 2.929 115 N HA 0.183 4.922 4.740 -0.000 0.000 0.245 115 N C 0.039 175.122 175.510 -0.712 0.000 1.081 115 N CA -0.395 52.204 53.050 -0.752 0.000 1.048 115 N CB 0.672 38.956 38.487 -0.338 0.000 1.629 115 N HN 0.595 nan 8.380 nan 0.000 0.598 116 L N 0.571 121.195 121.223 -0.998 0.000 2.265 116 L HA -0.057 4.283 4.340 -0.000 0.000 0.215 116 L C 0.784 177.518 176.870 -0.228 0.000 1.117 116 L CA 1.034 55.608 54.840 -0.443 0.000 0.782 116 L CB -0.138 41.764 42.059 -0.262 0.000 0.914 116 L HN 0.365 nan 8.230 nan 0.000 0.441 117 K N 0.786 121.054 120.400 -0.220 0.000 2.234 117 K HA 0.330 4.650 4.320 -0.000 0.000 0.282 117 K C 0.185 176.715 176.600 -0.118 0.000 1.039 117 K CA -0.116 56.096 56.287 -0.124 0.000 0.928 117 K CB 1.259 33.705 32.500 -0.091 0.000 1.039 117 K HN -0.006 nan 8.250 nan 0.000 0.470 118 G N 1.219 109.971 108.800 -0.080 0.000 2.557 118 G HA2 0.433 4.393 3.960 -0.000 0.000 0.292 118 G HA3 0.433 4.393 3.960 -0.000 0.000 0.292 118 G C 0.524 175.392 174.900 -0.054 0.000 1.237 118 G CA -0.381 44.681 45.100 -0.063 0.000 0.978 118 G HN 1.007 nan 8.290 nan 0.000 0.498 119 G N -2.226 106.549 108.800 -0.041 0.000 2.189 119 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.267 119 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.267 119 G C 1.197 176.060 174.900 -0.061 0.000 0.975 119 G CA 1.361 46.439 45.100 -0.037 0.000 0.644 119 G HN 1.904 nan 8.290 nan 0.000 0.537 120 V N -2.641 117.223 119.914 -0.084 0.000 3.573 120 V HA 0.563 4.683 4.120 -0.000 0.000 0.270 120 V C 1.443 177.453 176.094 -0.141 0.000 1.221 120 V CA 1.237 63.464 62.300 -0.121 0.000 1.163 120 V CB -0.031 31.705 31.823 -0.146 0.000 0.847 120 V HN 1.969 nan 8.190 nan 0.000 0.468 121 S N -0.888 114.746 115.700 -0.110 0.000 3.619 121 S HA -0.211 4.259 4.470 -0.000 0.000 0.287 121 S C 1.075 175.617 174.600 -0.097 0.000 1.222 121 S CA 1.164 59.288 58.200 -0.126 0.000 0.821 121 S CB -1.826 61.257 63.200 -0.194 0.000 0.985 121 S HN 0.838 nan 8.310 nan 0.000 0.611 122 K N 0.068 120.431 120.400 -0.062 0.000 2.001 122 K HA -0.027 4.293 4.320 -0.000 0.000 0.208 122 K C 2.135 178.725 176.600 -0.017 0.000 1.048 122 K CA 2.095 58.363 56.287 -0.031 0.000 0.932 122 K CB -0.389 32.085 32.500 -0.043 0.000 0.715 122 K HN 0.557 nan 8.250 nan 0.000 0.437 123 T N 0.518 115.073 114.554 0.002 0.000 2.701 123 T HA -0.118 4.232 4.350 -0.000 0.000 0.263 123 T C 1.891 176.521 174.700 -0.117 0.000 1.040 123 T CA 1.440 63.551 62.100 0.018 0.000 1.147 123 T CB -0.226 68.730 68.868 0.147 0.000 0.865 123 T HN -0.064 nan 8.240 nan 0.000 0.426 124 V N 2.334 122.140 119.914 -0.180 0.000 2.332 124 V HA -0.196 3.923 4.120 -0.000 0.000 0.248 124 V C 2.860 178.753 176.094 -0.334 0.000 1.055 124 V CA 2.125 64.191 62.300 -0.389 0.000 1.038 124 V CB -1.043 30.572 31.823 -0.348 0.000 0.651 124 V HN 0.687 nan 8.190 nan 0.000 0.450 125 S N -0.799 114.748 115.700 -0.255 0.000 2.402 125 S HA -0.202 4.267 4.470 -0.000 0.000 0.229 125 S C 1.915 176.456 174.600 -0.099 0.000 1.021 125 S CA 1.873 59.935 58.200 -0.231 0.000 0.974 125 S CB -0.605 62.501 63.200 -0.158 0.000 0.800 125 S HN 0.572 nan 8.310 nan 0.000 0.484 126 T N 2.661 117.166 114.554 -0.082 0.000 2.737 126 T HA -0.043 4.306 4.350 -0.000 0.000 0.265 126 T C 2.044 176.680 174.700 -0.107 0.000 1.038 126 T CA 1.756 63.822 62.100 -0.058 0.000 1.144 126 T CB -0.659 68.201 68.868 -0.014 0.000 0.866 126 T HN 0.566 nan 8.240 nan 0.000 0.434 127 V N -0.017 119.792 119.914 -0.176 0.000 2.548 127 V HA -0.053 4.067 4.120 -0.000 0.000 0.249 127 V C 2.397 178.361 176.094 -0.215 0.000 1.055 127 V CA 1.638 63.793 62.300 -0.242 0.000 1.065 127 V CB -1.084 30.545 31.823 -0.325 0.000 0.681 127 V HN 0.287 nan 8.190 nan 0.000 0.462 128 S N 0.611 116.221 115.700 -0.150 0.000 2.356 128 S HA -0.028 4.441 4.470 -0.000 0.000 0.223 128 S C 1.914 176.538 174.600 0.040 0.000 1.032 128 S CA 1.816 60.011 58.200 -0.009 0.000 1.005 128 S CB -0.489 62.728 63.200 0.030 0.000 0.867 128 S HN 0.587 nan 8.310 nan 0.000 0.449 129 L N 1.453 122.685 121.223 0.016 0.000 2.083 129 L HA -0.122 4.217 4.340 -0.000 0.000 0.209 129 L C 2.433 179.259 176.870 -0.074 0.000 1.083 129 L CA 1.940 56.760 54.840 -0.033 0.000 0.752 129 L CB -1.264 40.730 42.059 -0.107 0.000 0.899 129 L HN 0.336 nan 8.230 nan 0.000 0.433 130 A N -0.979 121.797 122.820 -0.074 0.000 1.858 130 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 130 A C 2.021 179.639 177.584 0.057 0.000 1.190 130 A CA 1.616 53.625 52.037 -0.046 0.000 0.617 130 A CB -0.936 18.009 19.000 -0.091 0.000 0.827 130 A HN 0.628 nan 8.150 nan 0.000 0.443 131 H N -1.128 117.922 119.070 -0.034 0.000 2.326 131 H HA 0.030 4.585 4.556 -0.000 0.000 0.301 131 H C 2.513 177.828 175.328 -0.022 0.000 1.081 131 H CA 0.653 56.674 56.048 -0.045 0.000 1.334 131 H CB 0.044 29.782 29.762 -0.039 0.000 1.385 131 H HN 0.552 nan 8.280 nan 0.000 0.504 132 A N 0.700 123.603 122.820 0.139 0.000 2.019 132 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 132 A C 2.312 179.945 177.584 0.082 0.000 1.164 132 A CA 1.227 53.322 52.037 0.095 0.000 0.644 132 A CB -0.471 18.591 19.000 0.102 0.000 0.805 132 A HN 0.337 nan 8.150 nan 0.000 0.449 133 M N -1.778 117.836 119.600 0.023 0.000 2.156 133 M HA -0.070 4.410 4.480 -0.000 0.000 0.264 133 M C 2.467 178.762 176.300 -0.009 0.000 1.067 133 M CA 1.014 56.291 55.300 -0.040 0.000 1.131 133 M CB -0.198 32.333 32.600 -0.116 0.000 1.368 133 M HN 0.335 nan 8.290 nan 0.000 0.416 134 R N 0.421 120.939 120.500 0.031 0.000 2.062 134 R HA -0.036 4.304 4.340 -0.000 0.000 0.231 134 R C 1.568 177.894 176.300 0.043 0.000 1.136 134 R CA 1.811 57.932 56.100 0.034 0.000 0.948 134 R CB -0.447 29.874 30.300 0.035 0.000 0.845 134 R HN 0.331 nan 8.270 nan 0.000 0.430 135 A N 0.906 123.759 122.820 0.054 0.000 2.327 135 A HA -0.003 4.317 4.320 -0.000 0.000 0.228 135 A C 0.192 177.861 177.584 0.143 0.000 1.275 135 A CA -0.289 51.815 52.037 0.112 0.000 0.875 135 A CB -0.561 18.510 19.000 0.119 0.000 0.925 135 A HN 0.277 nan 8.150 nan 0.000 0.493 136 H N 0.952 120.039 119.070 0.029 0.000 2.848 136 H HA 0.146 4.701 4.556 -0.000 0.000 0.317 136 H C -1.828 173.546 175.328 0.076 0.000 1.046 136 H CA -1.715 54.354 56.048 0.034 0.000 1.470 136 H CB 1.215 30.948 29.762 -0.049 0.000 1.483 136 H HN 0.057 nan 8.280 nan 0.000 0.548 137 P HA -0.177 nan 4.420 nan 0.000 0.217 137 P C 0.788 178.270 177.300 0.303 0.000 1.151 137 P CA 1.589 64.870 63.100 0.302 0.000 0.849 137 P CB 0.100 31.981 31.700 0.302 0.000 0.787 138 H N -2.582 116.711 119.070 0.372 0.000 2.539 138 H HA 0.171 4.727 4.556 -0.000 0.000 0.269 138 H C 0.779 176.013 175.328 -0.157 0.000 0.980 138 H CA 0.156 56.239 56.048 0.060 0.000 1.152 138 H CB 0.358 30.098 29.762 -0.037 0.000 1.407 138 H HN 0.083 nan 8.280 nan 0.000 0.564 139 L N 0.245 121.435 121.223 -0.056 0.000 2.858 139 L HA 0.101 4.441 4.340 -0.000 0.000 0.251 139 L C 1.811 178.578 176.870 -0.173 0.000 1.149 139 L CA 0.434 55.115 54.840 -0.266 0.000 0.955 139 L CB 0.061 41.859 42.059 -0.436 0.000 1.289 139 L HN 0.173 nan 8.230 nan 0.000 0.542 140 L N -0.232 120.943 121.223 -0.081 0.000 2.079 140 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 140 L C 2.550 179.310 176.870 -0.184 0.000 1.081 140 L CA 1.727 56.534 54.840 -0.054 0.000 0.752 140 L CB -0.540 41.546 42.059 0.046 0.000 0.896 140 L HN 0.413 nan 8.230 nan 0.000 0.433 141 M N -1.725 117.573 119.600 -0.502 0.000 2.446 141 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 141 M C 1.611 177.733 176.300 -0.296 0.000 1.066 141 M CA 1.564 56.395 55.300 -0.781 0.000 1.087 141 M CB -0.486 31.413 32.600 -1.169 0.000 1.406 141 M HN -0.022 nan 8.290 nan 0.000 0.459 142 E N 1.372 121.464 120.200 -0.181 0.000 2.358 142 E HA -0.085 4.265 4.350 -0.000 0.000 0.195 142 E C 0.028 176.647 176.600 0.033 0.000 1.010 142 E CA 0.571 56.958 56.400 -0.021 0.000 0.856 142 E CB -0.284 29.367 29.700 -0.081 0.000 0.795 142 E HN 0.557 nan 8.360 nan 0.000 0.504 143 D N 0.122 120.517 120.400 -0.009 0.000 2.810 143 D HA -0.218 4.421 4.640 -0.000 0.000 0.224 143 D C -1.035 175.302 176.300 0.061 0.000 1.222 143 D CA 0.365 54.385 54.000 0.033 0.000 0.698 143 D CB -1.056 39.771 40.800 0.044 0.000 0.961 143 D HN 0.183 nan 8.370 nan 0.000 0.403 144 L N 1.047 122.300 121.223 0.050 0.000 2.397 144 L HA 0.347 4.687 4.340 -0.000 0.000 0.271 144 L C 1.274 178.214 176.870 0.116 0.000 1.148 144 L CA -0.200 54.688 54.840 0.080 0.000 0.825 144 L CB 0.810 42.916 42.059 0.079 0.000 1.117 144 L HN -0.014 nan 8.230 nan 0.000 0.456 145 R N 3.929 124.520 120.500 0.152 0.000 2.288 145 R HA 0.586 4.926 4.340 -0.000 0.000 0.326 145 R C -1.063 175.467 176.300 0.383 0.000 0.959 145 R CA -0.546 55.683 56.100 0.214 0.000 0.834 145 R CB 1.382 31.738 30.300 0.093 0.000 1.157 145 R HN 0.392 nan 8.270 nan 0.000 0.470 146 I N 4.305 125.094 120.570 0.364 0.000 2.474 146 I HA 0.371 4.540 4.170 -0.000 0.000 0.294 146 I C -0.666 175.497 176.117 0.077 0.000 1.005 146 I CA -1.068 60.391 61.300 0.265 0.000 1.113 146 I CB 1.638 39.745 38.000 0.177 0.000 1.289 146 I HN 0.445 nan 8.210 nan 0.000 0.436 147 L N 7.158 128.264 121.223 -0.195 0.000 2.356 147 L HA 0.600 4.939 4.340 -0.000 0.000 0.277 147 L C -1.010 175.741 176.870 -0.199 0.000 0.996 147 L CA -0.398 54.184 54.840 -0.430 0.000 0.822 147 L CB 1.821 43.251 42.059 -1.049 0.000 1.256 147 L HN 0.304 nan 8.230 nan 0.000 0.413 148 V N 6.802 126.639 119.914 -0.129 0.000 2.347 148 V HA 0.426 4.546 4.120 -0.000 0.000 0.280 148 V C 0.181 176.228 176.094 -0.079 0.000 1.021 148 V CA -0.357 61.896 62.300 -0.078 0.000 0.847 148 V CB 1.342 33.133 31.823 -0.055 0.000 0.990 148 V HN 0.598 nan 8.190 nan 0.000 0.444 149 I N 4.109 124.631 120.570 -0.080 0.000 2.297 149 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 149 I C -0.118 175.954 176.117 -0.075 0.000 1.033 149 I CA -0.234 61.013 61.300 -0.089 0.000 1.253 149 I CB 1.139 39.068 38.000 -0.119 0.000 1.396 149 I HN 0.522 nan 8.210 nan 0.000 0.476 150 D N 6.949 127.312 120.400 -0.063 0.000 2.316 150 D HA 0.177 4.817 4.640 -0.000 0.000 0.245 150 D C -0.052 176.182 176.300 -0.110 0.000 1.171 150 D CA -0.139 53.831 54.000 -0.049 0.000 0.856 150 D CB 1.477 42.266 40.800 -0.018 0.000 1.090 150 D HN 0.250 nan 8.370 nan 0.000 0.476 151 L N 3.799 124.947 121.223 -0.125 0.000 3.168 151 L HA 0.261 4.601 4.340 -0.000 0.000 0.277 151 L C -0.440 176.383 176.870 -0.079 0.000 1.245 151 L CA -0.095 54.584 54.840 -0.268 0.000 1.035 151 L CB 0.188 42.029 42.059 -0.365 0.000 1.399 151 L HN 0.302 nan 8.230 nan 0.000 0.580 152 D N -0.036 120.373 120.400 0.015 0.000 2.349 152 D HA 0.305 4.944 4.640 -0.000 0.000 0.232 152 D C -1.712 174.640 176.300 0.086 0.000 1.071 152 D CA -2.072 51.986 54.000 0.096 0.000 0.832 152 D CB 2.341 43.194 40.800 0.088 0.000 1.086 152 D HN -0.062 nan 8.370 nan 0.000 0.504 153 P HA -0.163 nan 4.420 nan 0.000 0.219 153 P C 1.032 178.370 177.300 0.064 0.000 1.146 153 P CA 0.807 63.973 63.100 0.109 0.000 0.808 153 P CB 0.536 32.316 31.700 0.134 0.000 0.779 154 Q N 0.443 120.277 119.800 0.056 0.000 2.291 154 Q HA -0.084 4.256 4.340 -0.000 0.000 0.206 154 Q C 1.246 177.252 176.000 0.009 0.000 0.976 154 Q CA 1.474 57.297 55.803 0.034 0.000 0.875 154 Q CB -1.089 27.676 28.738 0.044 0.000 0.927 154 Q HN 0.503 nan 8.270 nan 0.000 0.450 155 S N -1.717 113.993 115.700 0.016 0.000 3.581 155 S HA -0.215 4.255 4.470 -0.000 0.000 0.354 155 S C 0.994 175.568 174.600 -0.044 0.000 1.059 155 S CA 0.671 58.863 58.200 -0.013 0.000 1.060 155 S CB -2.229 60.948 63.200 -0.038 0.000 0.908 155 S HN 0.334 nan 8.310 nan 0.000 0.475 156 S N 1.658 117.376 115.700 0.029 0.000 2.356 156 S HA 0.056 4.526 4.470 -0.000 0.000 0.223 156 S C 2.424 177.153 174.600 0.216 0.000 1.032 156 S CA 1.140 59.399 58.200 0.099 0.000 1.005 156 S CB -0.865 62.492 63.200 0.261 0.000 0.867 156 S HN 1.285 nan 8.310 nan 0.000 0.449 157 A N 1.738 124.681 122.820 0.205 0.000 1.908 157 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 157 A C 2.360 180.027 177.584 0.139 0.000 1.181 157 A CA 2.126 54.284 52.037 0.202 0.000 0.627 157 A CB -1.509 17.548 19.000 0.094 0.000 0.818 157 A HN 0.478 nan 8.150 nan 0.000 0.445 158 T N 0.247 114.829 114.554 0.048 0.000 2.684 158 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 158 T C 1.941 176.630 174.700 -0.019 0.000 1.036 158 T CA 1.959 64.064 62.100 0.008 0.000 1.148 158 T CB -0.354 68.499 68.868 -0.025 0.000 0.863 158 T HN 0.472 nan 8.240 nan 0.000 0.436 159 M N -0.346 119.167 119.600 -0.144 0.000 2.159 159 M HA 0.017 4.497 4.480 -0.000 0.000 0.263 159 M C 1.977 178.222 176.300 -0.092 0.000 1.063 159 M CA 1.643 56.751 55.300 -0.321 0.000 1.110 159 M CB -0.489 31.523 32.600 -0.979 0.000 1.374 159 M HN 0.202 nan 8.290 nan 0.000 0.411 160 F N 0.350 120.329 119.950 0.049 0.000 2.146 160 F HA -0.163 4.363 4.527 -0.001 0.000 0.298 160 F C 2.110 177.964 175.800 0.089 0.000 1.096 160 F CA 0.979 59.076 58.000 0.161 0.000 1.275 160 F CB -0.061 39.027 39.000 0.147 0.000 1.008 160 F HN 0.015 nan 8.300 nan 0.000 0.480 161 L N -0.914 120.449 121.223 0.234 0.000 2.095 161 L HA -0.042 4.298 4.340 -0.000 0.000 0.204 161 L C 0.869 177.832 176.870 0.155 0.000 1.080 161 L CA 0.585 55.501 54.840 0.126 0.000 0.759 161 L CB -0.510 41.570 42.059 0.036 0.000 0.914 161 L HN 0.041 nan 8.230 nan 0.000 0.439 162 S N -1.839 113.939 115.700 0.131 0.000 2.456 162 S HA 0.208 4.678 4.470 -0.000 0.000 0.316 162 S C -0.347 174.360 174.600 0.178 0.000 1.089 162 S CA -0.671 57.615 58.200 0.144 0.000 1.101 162 S CB 0.662 63.923 63.200 0.102 0.000 0.995 162 S HN 0.259 nan 8.310 nan 0.000 0.468 163 H N 2.908 122.037 119.070 0.099 0.000 3.221 163 H HA -0.090 4.465 4.556 -0.001 0.000 0.272 163 H C 1.256 176.604 175.328 0.033 0.000 0.865 163 H CA 0.381 56.485 56.048 0.093 0.000 1.419 163 H CB 0.415 30.254 29.762 0.129 0.000 1.377 163 H HN 0.784 nan 8.280 nan 0.000 0.535 164 K N 3.267 123.774 120.400 0.177 0.000 2.207 164 K HA -0.254 4.065 4.320 -0.000 0.000 0.208 164 K C 1.307 177.810 176.600 -0.161 0.000 1.046 164 K CA 1.415 57.656 56.287 -0.076 0.000 0.929 164 K CB -0.088 32.316 32.500 -0.160 0.000 0.720 164 K HN 0.718 nan 8.250 nan 0.000 0.463 165 H N -0.305 118.672 119.070 -0.156 0.000 2.555 165 H HA 0.079 4.634 4.556 -0.000 0.000 0.269 165 H C 1.749 176.999 175.328 -0.131 0.000 0.988 165 H CA 0.606 56.534 56.048 -0.199 0.000 1.178 165 H CB 0.388 29.931 29.762 -0.364 0.000 1.373 165 H HN 0.150 nan 8.280 nan 0.000 0.588 166 S N 1.066 116.775 115.700 0.015 0.000 2.310 166 S HA -0.052 4.417 4.470 -0.000 0.000 0.205 166 S C 2.329 176.938 174.600 0.015 0.000 1.020 166 S CA 0.635 58.853 58.200 0.030 0.000 0.939 166 S CB -0.087 63.154 63.200 0.069 0.000 0.919 166 S HN 0.370 nan 8.310 nan 0.000 0.501 167 I N 1.851 122.427 120.570 0.009 0.000 2.179 167 I HA 0.031 4.201 4.170 -0.000 0.000 0.242 167 I C 2.012 178.118 176.117 -0.018 0.000 1.088 167 I CA 1.893 63.189 61.300 -0.006 0.000 1.357 167 I CB -2.470 35.522 38.000 -0.013 0.000 1.051 167 I HN 0.445 nan 8.210 nan 0.000 0.409 168 G N 2.915 111.694 108.800 -0.035 0.000 2.868 168 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.368 168 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.368 168 G C 0.539 175.423 174.900 -0.027 0.000 1.209 168 G CA 1.234 46.312 45.100 -0.036 0.000 1.065 168 G HN 0.487 nan 8.290 nan 0.000 0.679 169 I N 2.382 122.945 120.570 -0.013 0.000 2.316 169 I HA 0.411 4.581 4.170 -0.000 0.000 0.286 169 I C 0.704 176.817 176.117 -0.006 0.000 1.107 169 I CA -0.933 60.363 61.300 -0.007 0.000 1.219 169 I CB 0.044 38.042 38.000 -0.003 0.000 1.455 169 I HN 0.150 nan 8.210 nan 0.000 0.498 170 V N 6.116 126.027 119.914 -0.004 0.000 2.732 170 V HA 0.334 4.453 4.120 -0.000 0.000 0.297 170 V C 0.990 177.088 176.094 0.006 0.000 1.060 170 V CA -0.340 61.959 62.300 -0.002 0.000 1.038 170 V CB 1.296 33.121 31.823 0.003 0.000 1.003 170 V HN 0.634 nan 8.190 nan 0.000 0.481 171 N N 1.349 120.045 118.700 -0.006 0.000 2.486 171 N HA 0.144 4.884 4.740 -0.000 0.000 0.242 171 N C 0.779 176.289 175.510 0.001 0.000 1.083 171 N CA 0.521 53.571 53.050 -0.001 0.000 0.844 171 N CB 0.478 38.953 38.487 -0.021 0.000 1.527 171 N HN 0.725 nan 8.380 nan 0.000 0.462 172 A N 1.938 124.724 122.820 -0.057 0.000 2.906 172 A HA 0.371 4.691 4.320 -0.000 0.000 0.289 172 A C 0.197 177.851 177.584 0.115 0.000 1.675 172 A CA 0.286 52.252 52.037 -0.118 0.000 1.372 172 A CB -0.622 18.141 19.000 -0.396 0.000 1.091 172 A HN -0.028 nan 8.150 nan 0.000 0.579 173 T N 0.803 115.481 114.554 0.205 0.000 2.934 173 T HA 0.279 4.628 4.350 -0.000 0.000 0.283 173 T C 1.688 176.485 174.700 0.162 0.000 1.005 173 T CA -0.078 62.119 62.100 0.161 0.000 1.041 173 T CB 1.425 70.352 68.868 0.098 0.000 1.042 173 T HN 0.567 nan 8.240 nan 0.000 0.505 174 S N 1.875 117.591 115.700 0.027 0.000 2.368 174 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 174 S C 2.382 176.902 174.600 -0.134 0.000 1.030 174 S CA 1.174 59.325 58.200 -0.081 0.000 0.999 174 S CB -0.416 62.690 63.200 -0.156 0.000 0.844 174 S HN 0.801 nan 8.310 nan 0.000 0.459 175 A N 1.459 124.182 122.820 -0.162 0.000 1.972 175 A HA -0.124 4.195 4.320 -0.000 0.000 0.219 175 A C 2.176 179.808 177.584 0.079 0.000 1.169 175 A CA 1.040 53.010 52.037 -0.112 0.000 0.635 175 A CB -0.417 18.537 19.000 -0.077 0.000 0.810 175 A HN 0.432 nan 8.150 nan 0.000 0.446 176 Q N -0.494 119.358 119.800 0.086 0.000 2.079 176 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 176 Q C 2.494 178.508 176.000 0.023 0.000 0.974 176 Q CA 1.450 57.328 55.803 0.125 0.000 0.840 176 Q CB -0.603 28.286 28.738 0.251 0.000 0.898 176 Q HN 0.652 nan 8.270 nan 0.000 0.430 177 A N 1.218 123.950 122.820 -0.147 0.000 1.908 177 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 177 A C 2.219 179.656 177.584 -0.245 0.000 1.181 177 A CA 1.713 53.427 52.037 -0.539 0.000 0.627 177 A CB -0.608 17.985 19.000 -0.679 0.000 0.818 177 A HN 0.294 nan 8.150 nan 0.000 0.445 178 M N -0.827 118.719 119.600 -0.090 0.000 2.108 178 M HA -0.139 4.341 4.480 -0.000 0.000 0.261 178 M C 2.085 178.425 176.300 0.067 0.000 1.066 178 M CA 1.507 56.832 55.300 0.042 0.000 1.107 178 M CB -0.432 32.287 32.600 0.199 0.000 1.356 178 M HN 0.382 nan 8.290 nan 0.000 0.406 179 L N -0.859 120.394 121.223 0.050 0.000 2.131 179 L HA -0.153 4.187 4.340 -0.000 0.000 0.206 179 L C 2.387 179.202 176.870 -0.091 0.000 1.087 179 L CA 1.062 55.873 54.840 -0.049 0.000 0.767 179 L CB -0.503 41.472 42.059 -0.140 0.000 0.917 179 L HN 0.347 nan 8.230 nan 0.000 0.441 180 Q N -0.069 119.683 119.800 -0.080 0.000 2.297 180 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 180 Q C 0.245 176.224 176.000 -0.035 0.000 0.962 180 Q CA 0.295 56.072 55.803 -0.043 0.000 0.879 180 Q CB -0.079 28.678 28.738 0.032 0.000 0.947 180 Q HN 0.437 nan 8.270 nan 0.000 0.462 181 N N 0.544 119.203 118.700 -0.068 0.000 2.667 181 N HA -0.165 4.574 4.740 -0.000 0.000 0.263 181 N C -0.489 174.997 175.510 -0.040 0.000 1.038 181 N CA -0.125 52.894 53.050 -0.052 0.000 0.749 181 N CB -0.456 38.022 38.487 -0.016 0.000 0.892 181 N HN 0.140 nan 8.380 nan 0.000 0.546 182 V N -0.880 118.991 119.914 -0.072 0.000 3.262 182 V HA 0.677 4.796 4.120 -0.000 0.000 0.313 182 V C 1.039 177.126 176.094 -0.012 0.000 1.070 182 V CA -0.069 62.223 62.300 -0.014 0.000 1.049 182 V CB 1.566 33.414 31.823 0.042 0.000 1.157 182 V HN 0.391 nan 8.190 nan 0.000 0.454 183 S N 0.963 116.679 115.700 0.025 0.000 2.624 183 S HA 0.275 4.744 4.470 -0.000 0.000 0.263 183 S C 1.130 175.752 174.600 0.036 0.000 1.287 183 S CA 0.313 58.529 58.200 0.028 0.000 0.990 183 S CB 0.725 63.947 63.200 0.037 0.000 0.950 183 S HN 0.995 nan 8.310 nan 0.000 0.561 184 R N 0.630 121.152 120.500 0.036 0.000 2.094 184 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 184 R C 1.791 178.132 176.300 0.067 0.000 1.137 184 R CA 2.287 58.417 56.100 0.049 0.000 0.943 184 R CB -0.698 29.627 30.300 0.042 0.000 0.850 184 R HN 0.823 nan 8.270 nan 0.000 0.433 185 E N 0.286 120.522 120.200 0.060 0.000 2.118 185 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 185 E C 1.760 178.415 176.600 0.092 0.000 0.992 185 E CA 1.605 58.044 56.400 0.065 0.000 0.804 185 E CB -0.157 29.573 29.700 0.050 0.000 0.741 185 E HN 0.519 nan 8.360 nan 0.000 0.458 186 E N 0.165 120.431 120.200 0.110 0.000 2.107 186 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 186 E C 1.871 178.634 176.600 0.273 0.000 0.982 186 E CA 0.468 56.971 56.400 0.171 0.000 0.809 186 E CB -0.023 29.791 29.700 0.190 0.000 0.756 186 E HN 0.207 nan 8.360 nan 0.000 0.459 187 L N 0.419 121.767 121.223 0.207 0.000 2.046 187 L HA -0.197 4.142 4.340 -0.000 0.000 0.208 187 L C 2.434 179.447 176.870 0.238 0.000 1.077 187 L CA 0.935 55.910 54.840 0.224 0.000 0.747 187 L CB -0.275 41.824 42.059 0.065 0.000 0.896 187 L HN 0.256 nan 8.230 nan 0.000 0.432 188 L N -1.117 120.211 121.223 0.174 0.000 2.156 188 L HA -0.133 4.206 4.340 -0.000 0.000 0.208 188 L C 2.610 179.560 176.870 0.133 0.000 1.095 188 L CA 0.857 55.791 54.840 0.158 0.000 0.770 188 L CB -0.369 41.759 42.059 0.114 0.000 0.914 188 L HN 0.226 nan 8.230 nan 0.000 0.439 189 E N -0.253 120.018 120.200 0.118 0.000 2.140 189 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 189 E C 1.698 178.330 176.600 0.054 0.000 0.973 189 E CA 0.861 57.308 56.400 0.078 0.000 0.829 189 E CB 0.577 30.314 29.700 0.062 0.000 0.781 189 E HN 0.304 nan 8.360 nan 0.000 0.466 190 E N -1.523 118.721 120.200 0.072 0.000 2.372 190 E HA 0.117 4.467 4.350 -0.000 0.000 0.201 190 E C 1.139 177.602 176.600 -0.228 0.000 0.938 190 E CA 0.208 56.551 56.400 -0.094 0.000 0.944 190 E CB 0.195 29.783 29.700 -0.185 0.000 0.937 190 E HN 0.077 nan 8.360 nan 0.000 0.495 191 F N -0.301 119.665 119.950 0.027 0.000 2.602 191 F HA 0.372 4.899 4.527 -0.000 0.000 0.284 191 F C 0.657 176.471 175.800 0.023 0.000 1.111 191 F CA -0.079 57.932 58.000 0.019 0.000 1.405 191 F CB 0.450 39.457 39.000 0.012 0.000 1.121 191 F HN -0.176 nan 8.300 nan 0.000 0.603 192 I N 2.191 122.894 120.570 0.223 0.000 2.371 192 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 192 I C -0.383 175.803 176.117 0.115 0.000 1.028 192 I CA -0.793 60.599 61.300 0.154 0.000 1.345 192 I CB 0.918 39.024 38.000 0.176 0.000 1.407 192 I HN -0.246 nan 8.210 nan 0.000 0.501 193 V N 5.193 125.162 119.914 0.093 0.000 2.769 193 V HA 0.676 4.796 4.120 -0.000 0.000 0.312 193 V C -2.604 173.544 176.094 0.091 0.000 1.061 193 V CA -2.324 60.024 62.300 0.081 0.000 0.931 193 V CB 1.563 33.423 31.823 0.060 0.000 1.010 193 V HN 0.504 nan 8.190 nan 0.000 0.433 194 P HA 0.272 nan 4.420 nan 0.000 0.274 194 P C -0.161 177.203 177.300 0.107 0.000 1.231 194 P CA 0.206 63.367 63.100 0.102 0.000 0.790 194 P CB 1.573 33.329 31.700 0.093 0.000 0.951 195 S N 0.871 116.642 115.700 0.119 0.000 2.745 195 S HA 0.235 4.704 4.470 -0.000 0.000 0.292 195 S C 1.363 176.040 174.600 0.129 0.000 1.127 195 S CA -0.590 57.699 58.200 0.149 0.000 1.007 195 S CB 0.213 63.535 63.200 0.203 0.000 1.165 195 S HN 0.146 nan 8.310 nan 0.000 0.544 196 V N 0.461 120.461 119.914 0.142 0.000 2.407 196 V HA -0.023 4.096 4.120 -0.000 0.000 0.248 196 V C 0.914 176.942 176.094 -0.111 0.000 1.055 196 V CA 1.129 63.468 62.300 0.065 0.000 1.049 196 V CB -0.714 31.166 31.823 0.094 0.000 0.662 196 V HN 0.642 nan 8.190 nan 0.000 0.455 197 V N 3.595 123.326 119.914 -0.306 0.000 2.408 197 V HA 0.223 4.343 4.120 -0.000 0.000 0.267 197 V C -2.003 173.965 176.094 -0.210 0.000 1.047 197 V CA -1.703 60.230 62.300 -0.612 0.000 0.937 197 V CB 0.801 32.034 31.823 -0.982 0.000 0.999 197 V HN 0.328 nan 8.190 nan 0.000 0.472 198 P HA 0.212 nan 4.420 nan 0.000 0.267 198 P C 0.853 178.163 177.300 0.016 0.000 1.205 198 P CA 0.990 64.090 63.100 0.000 0.000 0.765 198 P CB 1.168 32.895 31.700 0.046 0.000 0.828 199 G N 1.594 110.433 108.800 0.065 0.000 2.218 199 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 199 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 199 G C -0.305 174.681 174.900 0.143 0.000 0.994 199 G CA -0.192 44.965 45.100 0.094 0.000 0.637 199 G HN 0.537 nan 8.290 nan 0.000 0.505 200 V N 2.473 122.462 119.914 0.125 0.000 2.378 200 V HA 0.606 4.726 4.120 -0.000 0.000 0.288 200 V C -0.868 175.310 176.094 0.141 0.000 1.016 200 V CA -0.889 61.502 62.300 0.150 0.000 0.840 200 V CB 1.637 33.574 31.823 0.190 0.000 0.994 200 V HN 0.273 nan 8.190 nan 0.000 0.431 201 D N 2.588 123.068 120.400 0.133 0.000 2.392 201 D HA 0.708 5.348 4.640 -0.000 0.000 0.246 201 D C -0.840 175.476 176.300 0.026 0.000 1.013 201 D CA -0.344 53.719 54.000 0.106 0.000 0.993 201 D CB 2.921 43.827 40.800 0.177 0.000 1.219 201 D HN 0.367 nan 8.370 nan 0.000 0.538 202 V N 0.537 120.471 119.914 0.033 0.000 2.888 202 V HA 0.469 4.589 4.120 -0.000 0.000 0.309 202 V C -1.444 174.662 176.094 0.020 0.000 1.114 202 V CA -0.767 61.536 62.300 0.006 0.000 0.940 202 V CB 2.044 33.878 31.823 0.019 0.000 1.021 202 V HN 0.515 nan 8.190 nan 0.000 0.426 203 M N 10.058 129.657 119.600 -0.001 0.000 2.055 203 M HA 0.546 5.026 4.480 -0.000 0.000 0.347 203 M C -2.515 173.794 176.300 0.015 0.000 1.123 203 M CA -1.934 53.383 55.300 0.027 0.000 1.035 203 M CB 1.783 34.380 32.600 -0.004 0.000 1.484 203 M HN 0.543 nan 8.290 nan 0.000 0.428 204 P HA 0.276 nan 4.420 nan 0.000 0.273 204 P C -1.364 175.941 177.300 0.008 0.000 1.250 204 P CA -0.191 62.920 63.100 0.019 0.000 0.793 204 P CB 0.874 32.588 31.700 0.023 0.000 1.011 205 A N 0.189 123.009 122.820 -0.001 0.000 2.435 205 A HA 0.732 5.052 4.320 -0.000 0.000 0.296 205 A C -0.578 177.015 177.584 0.016 0.000 1.147 205 A CA -0.563 51.473 52.037 -0.001 0.000 0.775 205 A CB 1.444 20.437 19.000 -0.013 0.000 1.340 205 A HN 0.577 nan 8.150 nan 0.000 0.427 206 S N -0.888 114.837 115.700 0.041 0.000 2.547 206 S HA 0.402 4.872 4.470 -0.000 0.000 0.270 206 S C 0.368 175.023 174.600 0.091 0.000 1.150 206 S CA -0.253 57.978 58.200 0.052 0.000 0.850 206 S CB 1.053 64.286 63.200 0.056 0.000 1.118 206 S HN 1.351 nan 8.310 nan 0.000 0.461 207 I N 2.541 123.166 120.570 0.091 0.000 2.399 207 I HA -0.109 4.060 4.170 -0.000 0.000 0.254 207 I C 1.456 177.707 176.117 0.223 0.000 1.146 207 I CA 1.899 63.274 61.300 0.126 0.000 1.412 207 I CB -0.170 37.898 38.000 0.114 0.000 1.076 207 I HN 0.706 nan 8.210 nan 0.000 0.432 208 D N 0.662 121.207 120.400 0.243 0.000 2.309 208 D HA -0.161 4.479 4.640 -0.000 0.000 0.212 208 D C 1.535 178.065 176.300 0.383 0.000 0.968 208 D CA 0.975 55.186 54.000 0.351 0.000 0.882 208 D CB -0.305 40.605 40.800 0.183 0.000 0.918 208 D HN 0.455 nan 8.370 nan 0.000 0.503 209 D N 0.238 120.804 120.400 0.277 0.000 2.310 209 D HA -0.051 4.589 4.640 -0.000 0.000 0.212 209 D C 1.932 178.427 176.300 0.325 0.000 0.965 209 D CA 0.428 54.620 54.000 0.321 0.000 0.879 209 D CB -0.045 40.914 40.800 0.266 0.000 0.921 209 D HN 0.145 nan 8.370 nan 0.000 0.510 210 A N 0.270 123.200 122.820 0.183 0.000 1.933 210 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 210 A C 1.838 179.338 177.584 -0.141 0.000 1.175 210 A CA 0.838 52.849 52.037 -0.044 0.000 0.628 210 A CB -0.829 18.034 19.000 -0.230 0.000 0.814 210 A HN 0.157 nan 8.150 nan 0.000 0.444 211 F N -0.214 119.798 119.950 0.103 0.000 2.325 211 F HA 0.019 4.546 4.527 -0.000 0.000 0.299 211 F C 2.043 177.919 175.800 0.126 0.000 1.090 211 F CA 0.794 58.851 58.000 0.094 0.000 1.392 211 F CB -0.304 38.748 39.000 0.086 0.000 1.053 211 F HN 0.122 nan 8.300 nan 0.000 0.521 212 I N -0.191 120.587 120.570 0.348 0.000 2.233 212 I HA -0.250 3.919 4.170 -0.000 0.000 0.243 212 I C 2.667 178.966 176.117 0.304 0.000 1.093 212 I CA 1.116 62.642 61.300 0.376 0.000 1.380 212 I CB -0.692 37.601 38.000 0.488 0.000 1.067 212 I HN 0.096 nan 8.210 nan 0.000 0.413 213 A N -0.202 122.632 122.820 0.023 0.000 1.933 213 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 213 A C 2.483 179.991 177.584 -0.128 0.000 1.175 213 A CA 2.203 53.990 52.037 -0.416 0.000 0.628 213 A CB -0.806 17.659 19.000 -0.891 0.000 0.814 213 A HN 0.390 nan 8.150 nan 0.000 0.444 214 S N -0.399 115.275 115.700 -0.045 0.000 2.359 214 S HA -0.146 4.324 4.470 -0.000 0.000 0.224 214 S C 0.862 175.507 174.600 0.074 0.000 1.035 214 S CA 1.539 59.738 58.200 -0.001 0.000 1.018 214 S CB -0.353 62.840 63.200 -0.011 0.000 0.876 214 S HN 0.584 nan 8.310 nan 0.000 0.448 215 D N 0.082 120.565 120.400 0.138 0.000 2.895 215 D HA 0.062 4.702 4.640 -0.000 0.000 0.258 215 D C 0.716 177.119 176.300 0.172 0.000 1.311 215 D CA -0.260 53.822 54.000 0.137 0.000 0.843 215 D CB -0.130 40.748 40.800 0.129 0.000 1.055 215 D HN 0.566 nan 8.370 nan 0.000 0.486 216 W N 1.396 122.691 121.300 -0.008 0.000 2.354 216 W HA -0.225 4.434 4.660 -0.001 0.000 0.315 216 W C 1.891 178.417 176.519 0.013 0.000 1.206 216 W CA 0.943 58.291 57.345 0.004 0.000 1.290 216 W CB 0.160 29.591 29.460 -0.049 0.000 1.152 216 W HN 0.072 nan 8.180 nan 0.000 0.489 217 R N 0.572 121.092 120.500 0.033 0.000 2.115 217 R HA -0.248 4.091 4.340 -0.000 0.000 0.239 217 R C 2.076 178.294 176.300 -0.138 0.000 1.133 217 R CA 2.778 58.837 56.100 -0.068 0.000 0.935 217 R CB -0.852 29.452 30.300 0.007 0.000 0.853 217 R HN 0.106 nan 8.270 nan 0.000 0.433 218 E N -0.396 119.757 120.200 -0.079 0.000 2.047 218 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 218 E C 1.790 178.317 176.600 -0.120 0.000 0.987 218 E CA 0.670 57.021 56.400 -0.082 0.000 0.799 218 E CB -0.355 29.325 29.700 -0.033 0.000 0.752 218 E HN 0.072 nan 8.360 nan 0.000 0.449 219 L N 0.506 121.667 121.223 -0.102 0.000 2.081 219 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 219 L C 2.095 178.869 176.870 -0.160 0.000 1.080 219 L CA 1.363 56.169 54.840 -0.057 0.000 0.754 219 L CB -0.912 41.149 42.059 0.003 0.000 0.893 219 L HN 0.311 nan 8.230 nan 0.000 0.433 220 C N -0.512 118.549 119.300 -0.398 0.000 2.446 220 C HA -0.093 4.366 4.460 -0.000 0.000 0.277 220 C C 2.499 177.356 174.990 -0.223 0.000 1.275 220 C CA 0.493 59.264 59.018 -0.412 0.000 1.727 220 C CB -0.937 26.453 27.740 -0.584 0.000 2.010 220 C HN 0.593 nan 8.230 nan 0.000 0.486 221 N N 0.629 119.213 118.700 -0.192 0.000 2.289 221 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 221 N C 1.713 177.133 175.510 -0.150 0.000 1.016 221 N CA 0.995 53.960 53.050 -0.141 0.000 0.872 221 N CB -0.452 37.966 38.487 -0.114 0.000 0.973 221 N HN 0.706 nan 8.380 nan 0.000 0.433 222 E N 0.024 120.099 120.200 -0.207 0.000 2.042 222 E HA -0.088 4.262 4.350 -0.000 0.000 0.189 222 E C 0.927 177.322 176.600 -0.341 0.000 0.974 222 E CA 0.784 56.993 56.400 -0.318 0.000 0.806 222 E CB 0.054 29.453 29.700 -0.502 0.000 0.769 222 E HN 0.487 nan 8.360 nan 0.000 0.451 223 H N -0.935 118.077 119.070 -0.096 0.000 2.595 223 H HA 0.259 4.814 4.556 -0.001 0.000 0.265 223 H C 0.164 175.442 175.328 -0.082 0.000 0.953 223 H CA 0.362 56.363 56.048 -0.078 0.000 1.197 223 H CB 0.681 30.398 29.762 -0.075 0.000 1.438 223 H HN 0.022 nan 8.280 nan 0.000 0.531 224 L N 2.392 123.610 121.223 -0.008 0.000 2.625 224 L HA 0.295 4.635 4.340 -0.000 0.000 0.255 224 L C -2.579 174.257 176.870 -0.057 0.000 1.493 224 L CA -1.709 53.112 54.840 -0.033 0.000 0.796 224 L CB 0.996 43.020 42.059 -0.058 0.000 1.064 224 L HN -0.064 nan 8.230 nan 0.000 0.516 225 P HA 0.022 nan 4.420 nan 0.000 0.261 225 P C 1.043 178.319 177.300 -0.041 0.000 1.183 225 P CA 1.285 64.353 63.100 -0.054 0.000 0.761 225 P CB 1.254 32.926 31.700 -0.047 0.000 0.785 226 G N 2.021 110.794 108.800 -0.044 0.000 2.234 226 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 226 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 226 G C 0.203 175.087 174.900 -0.027 0.000 0.987 226 G CA 0.285 45.365 45.100 -0.032 0.000 0.625 226 G HN 0.730 nan 8.290 nan 0.000 0.532 227 Q N 0.812 120.594 119.800 -0.031 0.000 2.288 227 Q HA 0.340 4.679 4.340 -0.000 0.000 0.254 227 Q C 0.461 176.449 176.000 -0.020 0.000 0.932 227 Q CA -0.633 55.160 55.803 -0.017 0.000 0.902 227 Q CB 0.313 29.045 28.738 -0.010 0.000 1.203 227 Q HN 0.349 nan 8.270 nan 0.000 0.415 228 N N 4.515 123.216 118.700 0.001 0.000 2.434 228 N HA -0.060 4.680 4.740 -0.000 0.000 0.268 228 N C 1.118 176.640 175.510 0.020 0.000 1.256 228 N CA -0.010 53.038 53.050 -0.002 0.000 0.914 228 N CB 0.450 38.954 38.487 0.027 0.000 1.088 228 N HN 0.761 nan 8.380 nan 0.000 0.478 229 I N 1.702 122.248 120.570 -0.039 0.000 2.800 229 I HA -0.188 3.981 4.170 -0.000 0.000 0.266 229 I C 0.605 176.882 176.117 0.266 0.000 1.249 229 I CA 1.169 62.521 61.300 0.086 0.000 1.458 229 I CB -0.284 37.723 38.000 0.012 0.000 1.093 229 I HN 0.445 nan 8.210 nan 0.000 0.466 230 H N 1.264 120.449 119.070 0.192 0.000 2.592 230 H HA 0.412 4.968 4.556 -0.001 0.000 0.265 230 H C 1.959 177.343 175.328 0.093 0.000 0.955 230 H CA 0.581 56.708 56.048 0.131 0.000 1.175 230 H CB 0.546 30.353 29.762 0.075 0.000 1.433 230 H HN 0.503 nan 8.280 nan 0.000 0.537 231 A N 0.572 123.512 122.820 0.200 0.000 2.423 231 A HA 0.233 4.553 4.320 -0.000 0.000 0.246 231 A C 2.022 179.673 177.584 0.112 0.000 1.278 231 A CA -0.015 52.096 52.037 0.123 0.000 0.903 231 A CB -0.129 18.924 19.000 0.088 0.000 0.997 231 A HN 0.101 nan 8.150 nan 0.000 0.510 232 V N 0.115 120.134 119.914 0.175 0.000 2.261 232 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 232 V C 2.452 178.610 176.094 0.107 0.000 1.047 232 V CA 1.905 64.313 62.300 0.179 0.000 1.015 232 V CB -0.641 31.405 31.823 0.371 0.000 0.642 232 V HN 0.679 nan 8.190 nan 0.000 0.446 233 L N 0.553 121.823 121.223 0.077 0.000 2.046 233 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 233 L C 2.472 179.329 176.870 -0.021 0.000 1.077 233 L CA 2.484 57.318 54.840 -0.010 0.000 0.747 233 L CB -0.797 41.216 42.059 -0.076 0.000 0.896 233 L HN 0.424 nan 8.230 nan 0.000 0.432 234 K N -0.017 120.379 120.400 -0.007 0.000 2.025 234 K HA -0.203 4.116 4.320 -0.000 0.000 0.207 234 K C 1.798 178.401 176.600 0.004 0.000 1.049 234 K CA 1.837 58.119 56.287 -0.009 0.000 0.933 234 K CB -0.001 32.499 32.500 -0.001 0.000 0.714 234 K HN 0.464 nan 8.250 nan 0.000 0.438 235 E N -0.103 120.108 120.200 0.019 0.000 2.122 235 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 235 E C 1.572 178.177 176.600 0.009 0.000 0.977 235 E CA 0.895 57.306 56.400 0.017 0.000 0.820 235 E CB 0.065 29.781 29.700 0.026 0.000 0.770 235 E HN 0.454 nan 8.360 nan 0.000 0.462 236 N N -0.101 118.603 118.700 0.008 0.000 2.424 236 N HA -0.025 4.715 4.740 -0.000 0.000 0.178 236 N C 1.156 176.641 175.510 -0.043 0.000 1.060 236 N CA 0.221 53.263 53.050 -0.012 0.000 0.901 236 N CB 0.849 39.333 38.487 -0.004 0.000 0.979 236 N HN -0.062 nan 8.380 nan 0.000 0.451 237 V N 0.277 120.166 119.914 -0.041 0.000 3.449 237 V HA 0.044 4.164 4.120 -0.000 0.000 0.208 237 V C 1.872 177.949 176.094 -0.029 0.000 1.269 237 V CA -0.069 62.195 62.300 -0.061 0.000 1.301 237 V CB -0.047 31.719 31.823 -0.095 0.000 1.306 237 V HN 0.038 nan 8.190 nan 0.000 0.531 238 I N 1.270 121.823 120.570 -0.028 0.000 2.151 238 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 238 I C 2.220 178.348 176.117 0.018 0.000 1.080 238 I CA 2.099 63.394 61.300 -0.009 0.000 1.339 238 I CB -1.117 36.870 38.000 -0.023 0.000 1.039 238 I HN 0.383 nan 8.210 nan 0.000 0.409 239 D N 1.151 121.559 120.400 0.013 0.000 2.182 239 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 239 D C 2.183 178.501 176.300 0.030 0.000 0.986 239 D CA 1.103 55.116 54.000 0.023 0.000 0.847 239 D CB -0.172 40.638 40.800 0.017 0.000 0.942 239 D HN 0.395 nan 8.370 nan 0.000 0.467 240 K N -0.153 120.262 120.400 0.025 0.000 2.283 240 K HA 0.035 4.355 4.320 -0.000 0.000 0.202 240 K C 1.662 178.295 176.600 0.055 0.000 1.048 240 K CA 0.496 56.801 56.287 0.031 0.000 0.948 240 K CB 0.178 32.687 32.500 0.016 0.000 0.742 240 K HN 0.196 nan 8.250 nan 0.000 0.458 241 L N 0.223 121.494 121.223 0.079 0.000 2.640 241 L HA 0.099 4.439 4.340 -0.000 0.000 0.230 241 L C 1.714 178.683 176.870 0.166 0.000 1.123 241 L CA -0.025 54.904 54.840 0.149 0.000 0.900 241 L CB 0.062 42.248 42.059 0.212 0.000 1.146 241 L HN -0.009 nan 8.230 nan 0.000 0.484 242 K N 0.181 120.646 120.400 0.108 0.000 2.228 242 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 242 K C 1.762 178.418 176.600 0.094 0.000 1.045 242 K CA 1.491 57.839 56.287 0.102 0.000 0.931 242 K CB 0.018 32.560 32.500 0.070 0.000 0.727 242 K HN 0.188 nan 8.250 nan 0.000 0.458 243 S N 0.391 116.130 115.700 0.065 0.000 2.535 243 S HA 0.028 4.498 4.470 -0.000 0.000 0.214 243 S C 0.566 175.159 174.600 -0.012 0.000 0.980 243 S CA 0.207 58.425 58.200 0.031 0.000 0.907 243 S CB 0.325 63.535 63.200 0.016 0.000 0.790 243 S HN 0.270 nan 8.310 nan 0.000 0.510 244 D N -0.068 120.309 120.400 -0.037 0.000 2.360 244 D HA 0.154 4.793 4.640 -0.000 0.000 0.210 244 D C -0.674 175.317 176.300 -0.515 0.000 1.047 244 D CA 0.588 54.432 54.000 -0.261 0.000 0.854 244 D CB 0.512 41.118 40.800 -0.323 0.000 0.936 244 D HN 0.335 nan 8.370 nan 0.000 0.514 245 Y N 0.060 120.390 120.300 0.050 0.000 2.553 245 Y HA 0.175 4.725 4.550 -0.000 0.000 0.347 245 Y C 0.821 176.747 175.900 0.042 0.000 1.019 245 Y CA -1.013 57.121 58.100 0.057 0.000 1.032 245 Y CB 1.704 40.206 38.460 0.070 0.000 1.284 245 Y HN -0.344 nan 8.280 nan 0.000 0.466 246 D N 0.822 121.334 120.400 0.187 0.000 2.259 246 D HA 0.065 4.704 4.640 -0.000 0.000 0.216 246 D C -0.457 175.707 176.300 -0.227 0.000 0.961 246 D CA 1.352 55.340 54.000 -0.020 0.000 0.878 246 D CB 0.483 41.245 40.800 -0.063 0.000 1.009 246 D HN 0.241 nan 8.370 nan 0.000 0.490 247 F N 0.288 120.360 119.950 0.204 0.000 2.540 247 F HA 0.475 5.002 4.527 -0.001 0.000 0.317 247 F C -0.137 175.708 175.800 0.074 0.000 1.104 247 F CA -0.911 57.176 58.000 0.146 0.000 0.913 247 F CB 2.369 41.421 39.000 0.087 0.000 1.170 247 F HN -0.375 nan 8.300 nan 0.000 0.450 248 I N 4.661 125.379 120.570 0.247 0.000 2.410 248 I HA 0.318 4.488 4.170 -0.000 0.000 0.286 248 I C -1.349 174.808 176.117 0.066 0.000 1.009 248 I CA -0.742 60.594 61.300 0.060 0.000 1.111 248 I CB 1.565 39.565 38.000 0.000 0.000 1.262 248 I HN 0.282 nan 8.210 nan 0.000 0.443 249 L N 7.605 128.843 121.223 0.025 0.000 2.296 249 L HA 0.503 4.843 4.340 -0.000 0.000 0.286 249 L C -0.179 176.705 176.870 0.023 0.000 1.023 249 L CA -0.566 54.300 54.840 0.043 0.000 0.812 249 L CB 1.699 43.769 42.059 0.018 0.000 1.223 249 L HN 0.216 nan 8.230 nan 0.000 0.421 250 V N 1.769 121.724 119.914 0.068 0.000 2.435 250 V HA 0.483 4.603 4.120 -0.000 0.000 0.290 250 V C -0.667 175.533 176.094 0.176 0.000 1.030 250 V CA -0.619 61.687 62.300 0.010 0.000 0.881 250 V CB 1.773 33.474 31.823 -0.202 0.000 0.983 250 V HN 0.666 nan 8.190 nan 0.000 0.445 251 D N 2.949 123.414 120.400 0.107 0.000 2.391 251 D HA 0.663 5.303 4.640 -0.000 0.000 0.245 251 D C -0.315 176.070 176.300 0.141 0.000 1.069 251 D CA -0.032 54.073 54.000 0.176 0.000 0.831 251 D CB 2.078 42.938 40.800 0.100 0.000 1.204 251 D HN 0.722 nan 8.370 nan 0.000 0.503 252 S N 1.628 117.469 115.700 0.235 0.000 2.667 252 S HA 0.881 5.350 4.470 -0.000 0.000 0.292 252 S C 0.447 175.144 174.600 0.162 0.000 1.126 252 S CA -0.767 57.542 58.200 0.181 0.000 0.881 252 S CB 1.376 64.705 63.200 0.216 0.000 1.132 252 S HN 0.409 nan 8.310 nan 0.000 0.492 253 G N 0.324 109.215 108.800 0.151 0.000 2.616 253 G HA2 0.516 4.476 3.960 -0.000 0.000 0.268 253 G HA3 0.516 4.476 3.960 -0.000 0.000 0.268 253 G C -2.083 172.872 174.900 0.092 0.000 1.213 253 G CA -1.739 43.429 45.100 0.112 0.000 0.926 253 G HN 0.650 nan 8.290 nan 0.000 0.523 254 P HA 0.033 nan 4.420 nan 0.000 0.254 254 P C -0.366 176.970 177.300 0.060 0.000 1.631 254 P CA 0.396 63.493 63.100 -0.005 0.000 0.861 254 P CB -0.443 31.229 31.700 -0.046 0.000 1.663 255 H N 0.534 119.588 119.070 -0.027 0.000 2.466 255 H HA 0.292 4.847 4.556 -0.001 0.000 0.338 255 H C -0.425 174.886 175.328 -0.030 0.000 1.091 255 H CA -1.199 54.827 56.048 -0.036 0.000 1.207 255 H CB 1.533 31.267 29.762 -0.045 0.000 1.466 255 H HN -0.116 nan 8.280 nan 0.000 0.493 256 L N 5.830 127.084 121.223 0.053 0.000 2.376 256 L HA 0.088 4.428 4.340 -0.000 0.000 0.250 256 L C -0.541 176.161 176.870 -0.280 0.000 1.335 256 L CA 0.279 55.078 54.840 -0.068 0.000 1.214 256 L CB -1.134 40.930 42.059 0.008 0.000 1.395 256 L HN 0.648 nan 8.230 nan 0.000 0.424 257 D N 0.759 120.945 120.400 -0.357 0.000 2.539 257 D HA 0.407 5.046 4.640 -0.000 0.000 0.276 257 D C 1.014 177.112 176.300 -0.337 0.000 1.206 257 D CA 0.323 54.041 54.000 -0.470 0.000 1.081 257 D CB 1.276 41.744 40.800 -0.554 0.000 1.142 257 D HN 0.305 nan 8.370 nan 0.000 0.595 258 A N -0.445 122.074 122.820 -0.501 0.000 1.929 258 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 258 A C 2.110 179.474 177.584 -0.366 0.000 1.176 258 A CA 0.936 52.666 52.037 -0.512 0.000 0.628 258 A CB -0.782 17.532 19.000 -1.144 0.000 0.816 258 A HN 0.558 nan 8.150 nan 0.000 0.444 259 F N -0.645 119.030 119.950 -0.459 0.000 2.134 259 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 259 F C 2.324 177.972 175.800 -0.253 0.000 1.097 259 F CA 0.464 58.248 58.000 -0.359 0.000 1.264 259 F CB -0.136 38.705 39.000 -0.264 0.000 1.001 259 F HN 0.185 nan 8.300 nan 0.000 0.479 260 L N 1.339 122.570 121.223 0.013 0.000 2.017 260 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 260 L C 2.084 178.931 176.870 -0.037 0.000 1.073 260 L CA 2.079 56.942 54.840 0.038 0.000 0.745 260 L CB -0.867 41.228 42.059 0.061 0.000 0.894 260 L HN 0.130 nan 8.230 nan 0.000 0.432 261 K N -0.410 119.933 120.400 -0.094 0.000 2.057 261 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 261 K C 1.899 178.418 176.600 -0.135 0.000 1.049 261 K CA 1.459 57.651 56.287 -0.158 0.000 0.931 261 K CB -0.168 32.148 32.500 -0.306 0.000 0.714 261 K HN 0.423 nan 8.250 nan 0.000 0.440 262 N N 0.617 119.258 118.700 -0.099 0.000 2.223 262 N HA -0.132 4.608 4.740 -0.000 0.000 0.185 262 N C 1.750 177.161 175.510 -0.166 0.000 1.016 262 N CA 1.179 54.185 53.050 -0.073 0.000 0.863 262 N CB -0.008 38.440 38.487 -0.065 0.000 0.983 262 N HN 0.192 nan 8.380 nan 0.000 0.429 263 A N 1.272 123.918 122.820 -0.289 0.000 1.898 263 A HA -0.018 4.301 4.320 -0.000 0.000 0.216 263 A C 2.327 179.606 177.584 -0.508 0.000 1.181 263 A CA 0.679 52.377 52.037 -0.565 0.000 0.620 263 A CB -0.575 17.796 19.000 -1.048 0.000 0.819 263 A HN 0.171 nan 8.150 nan 0.000 0.442 264 L N -0.831 120.231 121.223 -0.269 0.000 2.093 264 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 264 L C 2.924 179.770 176.870 -0.040 0.000 1.085 264 L CA 0.980 55.804 54.840 -0.027 0.000 0.755 264 L CB -0.338 41.758 42.059 0.063 0.000 0.904 264 L HN 0.447 nan 8.230 nan 0.000 0.435 265 A N -0.820 121.958 122.820 -0.070 0.000 2.119 265 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 265 A C 2.319 179.879 177.584 -0.040 0.000 1.153 265 A CA 1.440 53.455 52.037 -0.036 0.000 0.692 265 A CB -0.282 18.713 19.000 -0.009 0.000 0.799 265 A HN 0.506 nan 8.150 nan 0.000 0.458 266 S N -1.134 114.519 115.700 -0.079 0.000 2.502 266 S HA 0.560 5.030 4.470 -0.000 0.000 0.215 266 S C 0.931 175.481 174.600 -0.083 0.000 1.009 266 S CA 0.402 58.556 58.200 -0.077 0.000 0.908 266 S CB -0.345 62.796 63.200 -0.100 0.000 0.801 266 S HN 0.748 nan 8.310 nan 0.000 0.505 267 A N 1.750 124.524 122.820 -0.077 0.000 2.407 267 A HA 0.526 4.846 4.320 -0.000 0.000 0.248 267 A C 0.653 178.178 177.584 -0.098 0.000 1.082 267 A CA -0.347 51.659 52.037 -0.053 0.000 0.785 267 A CB -0.012 19.034 19.000 0.076 0.000 1.020 267 A HN 0.489 nan 8.150 nan 0.000 0.489 268 N N -0.355 118.207 118.700 -0.230 0.000 2.409 268 N HA 0.298 5.037 4.740 -0.000 0.000 0.174 268 N C -0.028 175.344 175.510 -0.230 0.000 1.037 268 N CA 0.505 53.337 53.050 -0.363 0.000 0.898 268 N CB 0.398 38.252 38.487 -1.055 0.000 1.010 268 N HN 0.692 nan 8.380 nan 0.000 0.445 269 I N 0.233 120.712 120.570 -0.152 0.000 2.918 269 I HA 0.317 4.487 4.170 -0.000 0.000 0.301 269 I C -1.892 174.256 176.117 0.052 0.000 1.312 269 I CA -0.758 60.526 61.300 -0.027 0.000 1.007 269 I CB 1.857 39.902 38.000 0.074 0.000 1.281 269 I HN -0.213 nan 8.210 nan 0.000 0.440 270 L N 5.725 126.924 121.223 -0.039 0.000 2.362 270 L HA 0.545 4.885 4.340 -0.000 0.000 0.271 270 L C -1.545 175.222 176.870 -0.171 0.000 1.002 270 L CA -0.606 54.245 54.840 0.019 0.000 0.818 270 L CB 2.036 44.118 42.059 0.039 0.000 1.298 270 L HN 0.411 nan 8.230 nan 0.000 0.420 271 F N 0.122 120.117 119.950 0.075 0.000 2.477 271 F HA 0.350 4.877 4.527 0.000 0.000 0.335 271 F C 0.235 176.122 175.800 0.146 0.000 1.130 271 F CA -0.512 57.585 58.000 0.163 0.000 0.948 271 F CB 2.229 41.364 39.000 0.225 0.000 1.154 271 F HN 0.238 nan 8.300 nan 0.000 0.439 272 T N 5.891 120.538 114.554 0.155 0.000 2.738 272 T HA 0.292 4.642 4.350 -0.000 0.000 0.298 272 T C -2.653 171.818 174.700 -0.382 0.000 0.962 272 T CA -1.468 60.615 62.100 -0.028 0.000 0.972 272 T CB 0.712 69.588 68.868 0.014 0.000 0.928 272 T HN 0.155 nan 8.240 nan 0.000 0.474 273 P HA 0.301 nan 4.420 nan 0.000 0.282 273 P C -0.842 176.110 177.300 -0.580 0.000 1.274 273 P CA -0.454 61.987 63.100 -1.099 0.000 0.770 273 P CB 0.667 31.983 31.700 -0.640 0.000 0.867 274 L N 6.590 127.477 121.223 -0.560 0.000 2.265 274 L HA 0.422 4.761 4.340 -0.000 0.000 0.289 274 L C -1.858 174.916 176.870 -0.160 0.000 1.033 274 L CA -2.351 52.370 54.840 -0.198 0.000 0.814 274 L CB 1.527 43.569 42.059 -0.028 0.000 1.203 274 L HN 0.174 nan 8.230 nan 0.000 0.423 275 P HA 0.172 nan 4.420 nan 0.000 0.278 275 P C -2.307 174.938 177.300 -0.091 0.000 1.238 275 P CA -1.596 61.442 63.100 -0.103 0.000 0.794 275 P CB 1.094 32.759 31.700 -0.058 0.000 0.955 276 P HA -0.036 nan 4.420 nan 0.000 0.220 276 P C 0.579 177.807 177.300 -0.120 0.000 1.152 276 P CA 0.829 63.687 63.100 -0.404 0.000 0.812 276 P CB 0.017 31.084 31.700 -1.055 0.000 0.792 277 A N 0.408 123.227 122.820 -0.001 0.000 2.450 277 A HA 0.252 4.572 4.320 -0.000 0.000 0.255 277 A C 1.552 179.236 177.584 0.167 0.000 1.096 277 A CA 0.157 52.275 52.037 0.135 0.000 0.778 277 A CB -0.396 18.672 19.000 0.113 0.000 1.031 277 A HN 0.094 nan 8.150 nan 0.000 0.494 278 T N 2.005 116.674 114.554 0.191 0.000 2.653 278 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 278 T C 1.989 176.854 174.700 0.275 0.000 1.035 278 T CA 2.261 64.516 62.100 0.258 0.000 1.154 278 T CB -0.786 68.227 68.868 0.241 0.000 0.862 278 T HN 0.899 nan 8.240 nan 0.000 0.441 279 V N 1.345 121.367 119.914 0.179 0.000 2.343 279 V HA -0.156 3.963 4.120 -0.000 0.000 0.247 279 V C 2.036 178.204 176.094 0.123 0.000 1.051 279 V CA 1.904 64.280 62.300 0.127 0.000 1.036 279 V CB -0.772 31.085 31.823 0.057 0.000 0.654 279 V HN 0.309 nan 8.190 nan 0.000 0.451 280 D N -0.286 120.183 120.400 0.115 0.000 2.183 280 D HA -0.079 4.561 4.640 -0.000 0.000 0.203 280 D C 1.887 178.253 176.300 0.110 0.000 0.969 280 D CA 1.329 55.376 54.000 0.079 0.000 0.842 280 D CB -0.262 40.567 40.800 0.048 0.000 0.957 280 D HN 0.532 nan 8.370 nan 0.000 0.484 281 F N 1.871 121.839 119.950 0.030 0.000 2.146 281 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 281 F C 2.349 178.190 175.800 0.069 0.000 1.096 281 F CA 1.337 59.348 58.000 0.018 0.000 1.275 281 F CB -0.327 38.672 39.000 -0.000 0.000 1.008 281 F HN -0.006 nan 8.300 nan 0.000 0.480 282 H N -0.003 119.040 119.070 -0.044 0.000 2.289 282 H HA -0.140 4.415 4.556 -0.001 0.000 0.296 282 H C 2.310 177.552 175.328 -0.144 0.000 1.091 282 H CA 2.024 58.007 56.048 -0.107 0.000 1.274 282 H CB -0.516 29.256 29.762 0.016 0.000 1.364 282 H HN 0.277 nan 8.280 nan 0.000 0.490 283 S N -0.043 115.734 115.700 0.128 0.000 2.359 283 S HA -0.152 4.318 4.470 -0.000 0.000 0.224 283 S C 2.493 177.097 174.600 0.006 0.000 1.035 283 S CA 1.396 59.630 58.200 0.057 0.000 1.018 283 S CB -0.257 62.951 63.200 0.014 0.000 0.876 283 S HN 0.442 nan 8.310 nan 0.000 0.448 284 S N 1.680 117.344 115.700 -0.059 0.000 2.383 284 S HA 0.010 4.480 4.470 -0.000 0.000 0.229 284 S C 1.751 176.309 174.600 -0.070 0.000 1.030 284 S CA 0.902 59.069 58.200 -0.056 0.000 1.002 284 S CB -0.422 62.716 63.200 -0.102 0.000 0.829 284 S HN 0.374 nan 8.310 nan 0.000 0.467 285 L N 0.866 121.933 121.223 -0.260 0.000 2.201 285 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 285 L C 2.476 179.265 176.870 -0.135 0.000 1.105 285 L CA 1.013 55.688 54.840 -0.275 0.000 0.775 285 L CB -0.336 41.452 42.059 -0.451 0.000 0.913 285 L HN 0.256 nan 8.230 nan 0.000 0.440 286 K N -0.285 120.086 120.400 -0.048 0.000 2.097 286 K HA -0.247 4.073 4.320 -0.000 0.000 0.206 286 K C 2.182 178.800 176.600 0.030 0.000 1.049 286 K CA 1.485 57.775 56.287 0.004 0.000 0.933 286 K CB -0.209 32.326 32.500 0.058 0.000 0.717 286 K HN 0.237 nan 8.250 nan 0.000 0.442 287 Y N 0.024 120.287 120.300 -0.062 0.000 2.200 287 Y HA -0.179 4.371 4.550 0.000 0.000 0.290 287 Y C 1.666 177.537 175.900 -0.049 0.000 1.137 287 Y CA 1.203 59.275 58.100 -0.047 0.000 1.163 287 Y CB 0.017 38.450 38.460 -0.045 0.000 0.988 287 Y HN -0.185 nan 8.280 nan 0.000 0.518 288 V N 0.730 120.532 119.914 -0.186 0.000 2.594 288 V HA -0.296 3.824 4.120 -0.000 0.000 0.253 288 V C 2.567 178.494 176.094 -0.279 0.000 1.069 288 V CA 1.620 63.747 62.300 -0.288 0.000 1.082 288 V CB -1.273 30.477 31.823 -0.122 0.000 0.680 288 V HN 0.609 nan 8.190 nan 0.000 0.469 289 A N 0.099 122.796 122.820 -0.206 0.000 1.930 289 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 289 A C 2.227 179.721 177.584 -0.150 0.000 1.176 289 A CA 1.019 52.956 52.037 -0.168 0.000 0.632 289 A CB -0.289 18.635 19.000 -0.126 0.000 0.819 289 A HN 0.516 nan 8.150 nan 0.000 0.445 290 R N -0.532 119.880 120.500 -0.146 0.000 2.334 290 R HA 0.330 4.670 4.340 -0.000 0.000 0.220 290 R C 1.399 177.605 176.300 -0.155 0.000 0.917 290 R CA -0.195 55.838 56.100 -0.111 0.000 1.073 290 R CB -0.197 30.074 30.300 -0.048 0.000 1.056 290 R HN 0.457 nan 8.270 nan 0.000 0.506 291 L N 2.062 123.126 121.223 -0.266 0.000 2.017 291 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 291 L C -0.555 176.227 176.870 -0.147 0.000 1.073 291 L CA 1.578 56.246 54.840 -0.286 0.000 0.745 291 L CB -0.719 41.106 42.059 -0.390 0.000 0.894 291 L HN 0.107 nan 8.230 nan 0.000 0.432 292 P HA -0.223 nan 4.420 nan 0.000 0.220 292 P C 1.181 178.445 177.300 -0.059 0.000 1.148 292 P CA 1.420 64.472 63.100 -0.079 0.000 0.803 292 P CB -0.043 31.611 31.700 -0.076 0.000 0.782 293 E N 0.271 120.434 120.200 -0.062 0.000 2.072 293 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 293 E C 2.169 178.750 176.600 -0.032 0.000 0.985 293 E CA 0.731 57.106 56.400 -0.040 0.000 0.801 293 E CB -0.406 29.272 29.700 -0.037 0.000 0.750 293 E HN 0.191 nan 8.360 nan 0.000 0.452 294 L N 0.403 121.604 121.223 -0.038 0.000 2.056 294 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 294 L C 2.589 179.438 176.870 -0.035 0.000 1.078 294 L CA 0.715 55.538 54.840 -0.027 0.000 0.749 294 L CB -0.272 41.782 42.059 -0.007 0.000 0.901 294 L HN 0.082 nan 8.230 nan 0.000 0.433 295 V N 0.047 119.941 119.914 -0.034 0.000 2.407 295 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 295 V C 2.544 178.626 176.094 -0.021 0.000 1.055 295 V CA 1.834 64.117 62.300 -0.027 0.000 1.049 295 V CB -0.557 31.252 31.823 -0.023 0.000 0.662 295 V HN 0.446 nan 8.190 nan 0.000 0.455 296 K N -0.057 120.331 120.400 -0.020 0.000 2.032 296 K HA -0.232 4.088 4.320 -0.000 0.000 0.209 296 K C 2.174 178.773 176.600 -0.001 0.000 1.048 296 K CA 1.887 58.168 56.287 -0.010 0.000 0.927 296 K CB -0.257 32.236 32.500 -0.013 0.000 0.712 296 K HN 0.357 nan 8.250 nan 0.000 0.441 297 L N 1.680 122.900 121.223 -0.005 0.000 1.955 297 L HA -0.174 4.166 4.340 -0.000 0.000 0.213 297 L C 2.078 178.962 176.870 0.022 0.000 1.072 297 L CA 1.743 56.588 54.840 0.009 0.000 0.755 297 L CB -0.483 41.575 42.059 -0.001 0.000 0.888 297 L HN 0.261 nan 8.230 nan 0.000 0.432 298 I N -0.808 119.744 120.570 -0.029 0.000 2.185 298 I HA -0.379 3.790 4.170 -0.000 0.000 0.246 298 I C 2.696 178.851 176.117 0.064 0.000 1.088 298 I CA 1.677 62.958 61.300 -0.031 0.000 1.347 298 I CB -0.657 37.262 38.000 -0.135 0.000 1.041 298 I HN 0.437 nan 8.210 nan 0.000 0.415 299 S N 0.510 116.228 115.700 0.031 0.000 2.338 299 S HA -0.200 4.270 4.470 -0.000 0.000 0.218 299 S C 1.644 176.271 174.600 0.045 0.000 1.032 299 S CA 1.589 59.810 58.200 0.036 0.000 0.999 299 S CB -0.247 62.963 63.200 0.017 0.000 0.905 299 S HN 0.379 nan 8.310 nan 0.000 0.439 300 D N 1.443 121.866 120.400 0.038 0.000 2.357 300 D HA -0.100 4.540 4.640 -0.000 0.000 0.216 300 D C 1.013 177.344 176.300 0.051 0.000 0.973 300 D CA 0.953 54.975 54.000 0.037 0.000 0.912 300 D CB -0.199 40.619 40.800 0.030 0.000 0.900 300 D HN 0.828 nan 8.370 nan 0.000 0.501 301 E N -1.207 119.042 120.200 0.082 0.000 3.575 301 E HA 0.469 4.819 4.350 -0.000 0.000 0.201 301 E C 0.777 177.440 176.600 0.105 0.000 0.999 301 E CA -0.324 56.131 56.400 0.091 0.000 1.315 301 E CB 0.576 30.344 29.700 0.112 0.000 1.146 301 E HN 0.059 nan 8.360 nan 0.000 0.453 302 G N 0.907 109.759 108.800 0.086 0.000 1.849 302 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.066 302 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.066 302 G C -0.306 174.638 174.900 0.073 0.000 0.986 302 G CA -0.152 44.996 45.100 0.080 0.000 1.081 302 G HN 0.589 nan 8.290 nan 0.000 0.306 303 C N 0.476 119.833 119.300 0.095 0.000 2.358 303 C HA 0.909 5.368 4.460 -0.000 0.000 0.354 303 C C -0.053 174.967 174.990 0.051 0.000 1.183 303 C CA -0.939 58.119 59.018 0.066 0.000 2.150 303 C CB 1.376 29.158 27.740 0.071 0.000 2.361 303 C HN 0.647 nan 8.230 nan 0.000 0.535 304 E N -0.120 120.099 120.200 0.033 0.000 2.231 304 E HA 0.453 4.803 4.350 -0.000 0.000 0.277 304 E C -0.797 175.812 176.600 0.014 0.000 0.999 304 E CA -0.135 56.278 56.400 0.022 0.000 0.827 304 E CB 0.974 30.684 29.700 0.017 0.000 1.101 304 E HN 0.808 nan 8.360 nan 0.000 0.393 305 C N 3.318 122.622 119.300 0.007 0.000 2.415 305 C HA 0.102 4.562 4.460 -0.000 0.000 0.369 305 C C 1.110 176.101 174.990 0.001 0.000 1.279 305 C CA -0.362 58.657 59.018 0.002 0.000 1.886 305 C CB -0.249 27.491 27.740 -0.001 0.000 2.468 305 C HN 0.734 nan 8.230 nan 0.000 0.553 306 Q N 2.357 122.155 119.800 -0.003 0.000 2.253 306 Q HA 0.138 4.478 4.340 -0.000 0.000 0.210 306 Q C 0.207 176.203 176.000 -0.007 0.000 0.907 306 Q CA -0.281 55.521 55.803 -0.002 0.000 0.948 306 Q CB 0.064 28.799 28.738 -0.005 0.000 1.033 306 Q HN 0.604 nan 8.270 nan 0.000 0.471 307 L N 2.176 123.397 121.223 -0.003 0.000 2.678 307 L HA 0.053 4.393 4.340 -0.000 0.000 0.276 307 L C 1.047 177.919 176.870 0.003 0.000 1.142 307 L CA 0.553 55.394 54.840 0.001 0.000 0.961 307 L CB -0.328 41.739 42.059 0.013 0.000 1.291 307 L HN 0.416 nan 8.230 nan 0.000 0.476 308 A N 5.046 127.871 122.820 0.008 0.000 1.821 308 A HA -0.016 4.303 4.320 -0.000 0.000 0.215 308 A C 1.016 178.609 177.584 0.014 0.000 1.216 308 A CA 1.575 53.627 52.037 0.024 0.000 0.615 308 A CB -0.288 18.749 19.000 0.061 0.000 0.862 308 A HN 0.670 nan 8.150 nan 0.000 0.450 309 T N -1.574 112.981 114.554 0.002 0.000 2.773 309 T HA 0.539 4.889 4.350 -0.000 0.000 0.278 309 T C -0.919 173.749 174.700 -0.052 0.000 1.011 309 T CA -0.552 61.539 62.100 -0.015 0.000 1.014 309 T CB 1.139 70.000 68.868 -0.012 0.000 1.293 309 T HN 0.338 nan 8.240 nan 0.000 0.554 310 N N 0.882 119.562 118.700 -0.033 0.000 2.577 310 N HA 0.318 5.057 4.740 -0.000 0.000 0.275 310 N C -1.546 173.965 175.510 0.002 0.000 1.091 310 N CA -0.581 52.457 53.050 -0.020 0.000 0.843 310 N CB 0.314 38.852 38.487 0.085 0.000 1.295 310 N HN 0.454 nan 8.380 nan 0.000 0.530 311 I N 1.754 122.163 120.570 -0.267 0.000 2.396 311 I HA 0.481 4.650 4.170 -0.000 0.000 0.292 311 I C 1.306 177.279 176.117 -0.241 0.000 0.999 311 I CA -0.569 60.580 61.300 -0.252 0.000 1.310 311 I CB 0.801 38.513 38.000 -0.480 0.000 1.404 311 I HN 0.515 nan 8.210 nan 0.000 0.496 312 G N 5.688 114.149 108.800 -0.564 0.000 2.441 312 G HA2 0.762 4.722 3.960 -0.000 0.000 0.334 312 G HA3 0.762 4.722 3.960 -0.000 0.000 0.334 312 G C -1.327 173.499 174.900 -0.123 0.000 1.161 312 G CA -0.365 44.227 45.100 -0.847 0.000 0.935 312 G HN 0.521 nan 8.290 nan 0.000 0.488 313 F N -0.735 119.108 119.950 -0.178 0.000 2.672 313 F HA 0.580 5.107 4.527 -0.000 0.000 0.311 313 F C -0.766 175.003 175.800 -0.052 0.000 1.113 313 F CA -1.893 56.108 58.000 0.001 0.000 0.996 313 F CB 1.223 40.346 39.000 0.204 0.000 1.286 313 F HN 0.276 nan 8.300 nan 0.000 0.441 314 M N 2.851 122.429 119.600 -0.036 0.000 2.228 314 M HA 0.289 4.769 4.480 -0.000 0.000 0.351 314 M C 0.008 176.221 176.300 -0.145 0.000 1.233 314 M CA 0.413 55.565 55.300 -0.247 0.000 1.129 314 M CB 1.078 33.370 32.600 -0.513 0.000 1.604 314 M HN 0.805 nan 8.290 nan 0.000 0.457 315 S N 1.972 117.508 115.700 -0.273 0.000 2.513 315 S HA 0.426 4.896 4.470 -0.000 0.000 0.299 315 S C -0.227 174.241 174.600 -0.220 0.000 1.087 315 S CA -0.618 57.455 58.200 -0.211 0.000 1.012 315 S CB 0.695 63.729 63.200 -0.278 0.000 1.044 315 S HN 0.692 nan 8.310 nan 0.000 0.485 316 K N 1.805 122.104 120.400 -0.168 0.000 3.035 316 K HA -0.159 4.160 4.320 -0.000 0.000 0.262 316 K C -0.047 176.434 176.600 -0.198 0.000 1.024 316 K CA 0.309 56.512 56.287 -0.140 0.000 0.748 316 K CB -1.536 30.881 32.500 -0.138 0.000 1.247 316 K HN 0.544 nan 8.250 nan 0.000 0.482 317 L N 0.324 121.405 121.223 -0.237 0.000 2.452 317 L HA 0.287 4.627 4.340 -0.000 0.000 0.267 317 L C 0.526 177.317 176.870 -0.131 0.000 1.188 317 L CA 0.566 55.184 54.840 -0.369 0.000 0.821 317 L CB 1.555 43.212 42.059 -0.669 0.000 1.102 317 L HN 0.327 nan 8.230 nan 0.000 0.470 318 S N 0.687 116.415 115.700 0.047 0.000 2.819 318 S HA 0.264 4.733 4.470 -0.000 0.000 0.299 318 S C 0.356 175.057 174.600 0.168 0.000 1.192 318 S CA -0.433 57.886 58.200 0.200 0.000 0.847 318 S CB 1.446 64.822 63.200 0.294 0.000 1.224 318 S HN 0.817 nan 8.310 nan 0.000 0.537 319 N N 0.100 118.853 118.700 0.088 0.000 2.398 319 N HA 0.103 4.843 4.740 -0.000 0.000 0.188 319 N C -0.386 175.105 175.510 -0.031 0.000 1.122 319 N CA -0.249 52.823 53.050 0.037 0.000 0.866 319 N CB 0.015 38.523 38.487 0.034 0.000 0.970 319 N HN 0.206 nan 8.380 nan 0.000 0.462 320 K N 0.727 121.036 120.400 -0.152 0.000 2.448 320 K HA 0.096 4.415 4.320 -0.000 0.000 0.278 320 K C 1.120 177.616 176.600 -0.172 0.000 1.009 320 K CA 0.037 56.157 56.287 -0.277 0.000 0.995 320 K CB 0.844 32.955 32.500 -0.648 0.000 0.917 320 K HN 0.140 nan 8.250 nan 0.000 0.481 321 A N 3.123 125.882 122.820 -0.102 0.000 1.927 321 A HA -0.300 4.019 4.320 -0.000 0.000 0.220 321 A C 1.837 179.425 177.584 0.006 0.000 1.185 321 A CA 2.366 54.380 52.037 -0.039 0.000 0.639 321 A CB -0.540 18.432 19.000 -0.047 0.000 0.820 321 A HN 0.952 nan 8.150 nan 0.000 0.451 322 D N -1.815 118.569 120.400 -0.028 0.000 2.123 322 D HA -0.164 4.475 4.640 -0.000 0.000 0.196 322 D C 1.794 178.206 176.300 0.186 0.000 0.992 322 D CA 1.486 55.531 54.000 0.075 0.000 0.833 322 D CB -0.132 40.691 40.800 0.037 0.000 0.954 322 D HN 0.596 nan 8.370 nan 0.000 0.455 323 H N 0.498 119.566 119.070 -0.003 0.000 2.293 323 H HA 0.012 4.567 4.556 -0.001 0.000 0.300 323 H C 2.070 177.371 175.328 -0.044 0.000 1.082 323 H CA 1.065 57.077 56.048 -0.059 0.000 1.308 323 H CB -0.262 29.454 29.762 -0.078 0.000 1.375 323 H HN 0.190 nan 8.280 nan 0.000 0.495 324 K N -0.204 120.277 120.400 0.136 0.000 2.113 324 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 324 K C 2.145 178.797 176.600 0.086 0.000 1.047 324 K CA 1.435 57.777 56.287 0.091 0.000 0.928 324 K CB -0.330 32.208 32.500 0.063 0.000 0.716 324 K HN 0.234 nan 8.250 nan 0.000 0.446 325 Y N 1.442 121.726 120.300 -0.027 0.000 2.114 325 Y HA -0.288 4.261 4.550 -0.001 0.000 0.284 325 Y C 2.348 178.174 175.900 -0.123 0.000 1.143 325 Y CA 0.879 58.947 58.100 -0.053 0.000 1.135 325 Y CB -0.699 37.739 38.460 -0.037 0.000 0.980 325 Y HN 0.048 nan 8.280 nan 0.000 0.499 326 C N -0.426 118.678 119.300 -0.328 0.000 2.429 326 C HA -0.190 4.269 4.460 -0.000 0.000 0.277 326 C C 2.709 177.314 174.990 -0.641 0.000 1.262 326 C CA 1.449 60.010 59.018 -0.761 0.000 1.733 326 C CB -1.553 25.736 27.740 -0.752 0.000 2.010 326 C HN 0.669 nan 8.230 nan 0.000 0.483 327 H N 1.222 120.041 119.070 -0.418 0.000 2.352 327 H HA -0.098 4.458 4.556 -0.001 0.000 0.299 327 H C 2.255 177.461 175.328 -0.204 0.000 1.097 327 H CA 2.113 57.993 56.048 -0.279 0.000 1.311 327 H CB -0.319 29.321 29.762 -0.204 0.000 1.377 327 H HN 0.365 nan 8.280 nan 0.000 0.504 328 S N 0.164 115.809 115.700 -0.091 0.000 2.368 328 S HA -0.061 4.408 4.470 -0.000 0.000 0.224 328 S C 2.559 177.087 174.600 -0.120 0.000 1.029 328 S CA 1.013 59.146 58.200 -0.111 0.000 0.988 328 S CB -0.146 62.990 63.200 -0.108 0.000 0.838 328 S HN 0.330 nan 8.310 nan 0.000 0.462 329 L N 1.212 122.277 121.223 -0.263 0.000 2.056 329 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 329 L C 2.852 179.767 176.870 0.075 0.000 1.078 329 L CA 1.203 55.948 54.840 -0.159 0.000 0.749 329 L CB -0.821 41.077 42.059 -0.268 0.000 0.901 329 L HN 0.311 nan 8.230 nan 0.000 0.433 330 A N 0.415 123.287 122.820 0.086 0.000 1.902 330 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 330 A C 2.325 180.093 177.584 0.306 0.000 1.181 330 A CA 1.783 54.032 52.037 0.353 0.000 0.623 330 A CB -0.410 18.746 19.000 0.260 0.000 0.818 330 A HN 0.316 nan 8.150 nan 0.000 0.443 331 K N -0.514 120.006 120.400 0.200 0.000 2.152 331 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 331 K C 2.019 178.694 176.600 0.125 0.000 1.048 331 K CA 1.384 57.774 56.287 0.172 0.000 0.933 331 K CB -0.075 32.486 32.500 0.102 0.000 0.721 331 K HN 0.498 nan 8.250 nan 0.000 0.447 332 E N 0.299 120.550 120.200 0.085 0.000 2.072 332 E HA -0.118 4.231 4.350 -0.000 0.000 0.190 332 E C 2.068 178.683 176.600 0.024 0.000 0.982 332 E CA 0.981 57.405 56.400 0.041 0.000 0.803 332 E CB 0.194 29.902 29.700 0.014 0.000 0.755 332 E HN 0.070 nan 8.360 nan 0.000 0.453 333 V N 0.326 120.260 119.914 0.032 0.000 2.283 333 V HA -0.193 3.926 4.120 -0.000 0.000 0.243 333 V C 2.024 177.986 176.094 -0.221 0.000 1.039 333 V CA 1.543 63.772 62.300 -0.119 0.000 1.016 333 V CB -0.552 31.163 31.823 -0.181 0.000 0.650 333 V HN 0.141 nan 8.190 nan 0.000 0.449 334 F N 0.467 120.438 119.950 0.035 0.000 2.512 334 F HA 0.342 4.870 4.527 0.001 0.000 0.296 334 F C 2.027 177.843 175.800 0.027 0.000 1.110 334 F CA 0.853 58.870 58.000 0.029 0.000 1.446 334 F CB -0.767 38.263 39.000 0.051 0.000 1.092 334 F HN 0.291 nan 8.300 nan 0.000 0.554 335 G N 0.864 109.766 108.800 0.170 0.000 2.698 335 G HA2 -0.417 3.542 3.960 -0.000 0.000 0.337 335 G HA3 -0.417 3.542 3.960 -0.000 0.000 0.337 335 G C 1.591 176.558 174.900 0.112 0.000 1.196 335 G CA 0.540 45.703 45.100 0.106 0.000 0.965 335 G HN 0.558 nan 8.290 nan 0.000 0.550 336 G N -0.458 108.393 108.800 0.085 0.000 2.408 336 G HA2 0.175 4.135 3.960 -0.000 0.000 0.215 336 G HA3 0.175 4.135 3.960 -0.000 0.000 0.215 336 G C 1.003 175.954 174.900 0.086 0.000 1.156 336 G CA 1.417 46.556 45.100 0.064 0.000 0.793 336 G HN 0.577 nan 8.290 nan 0.000 0.535 337 D N 0.248 120.726 120.400 0.131 0.000 2.355 337 D HA 0.113 4.752 4.640 -0.000 0.000 0.253 337 D C 0.455 176.851 176.300 0.160 0.000 1.187 337 D CA 0.152 54.239 54.000 0.146 0.000 0.900 337 D CB 0.100 41.016 40.800 0.193 0.000 0.915 337 D HN 0.211 nan 8.370 nan 0.000 0.516 338 M N 0.931 120.628 119.600 0.162 0.000 2.088 338 M HA 0.202 4.682 4.480 -0.000 0.000 0.346 338 M C -0.572 175.811 176.300 0.137 0.000 1.111 338 M CA -0.444 54.940 55.300 0.139 0.000 1.017 338 M CB 0.867 33.587 32.600 0.200 0.000 1.568 338 M HN -0.142 nan 8.290 nan 0.000 0.445 339 L N 4.398 125.718 121.223 0.162 0.000 2.543 339 L HA -0.038 4.301 4.340 -0.000 0.000 0.285 339 L C 0.565 177.543 176.870 0.179 0.000 1.236 339 L CA 0.316 55.261 54.840 0.175 0.000 0.871 339 L CB 0.484 42.686 42.059 0.239 0.000 1.121 339 L HN 0.761 nan 8.230 nan 0.000 0.501 340 D N 1.889 122.362 120.400 0.121 0.000 2.349 340 D HA 0.055 4.694 4.640 -0.000 0.000 0.224 340 D C 0.044 176.405 176.300 0.102 0.000 1.029 340 D CA 0.524 54.595 54.000 0.119 0.000 0.879 340 D CB 0.474 41.310 40.800 0.060 0.000 0.906 340 D HN 0.115 nan 8.370 nan 0.000 0.528 341 V N 0.808 120.776 119.914 0.090 0.000 2.864 341 V HA 0.535 4.655 4.120 -0.000 0.000 0.314 341 V C -0.357 175.822 176.094 0.142 0.000 1.073 341 V CA -1.012 61.271 62.300 -0.027 0.000 0.956 341 V CB 2.005 33.810 31.823 -0.030 0.000 1.023 341 V HN -0.008 nan 8.190 nan 0.000 0.435 342 F N 0.716 120.775 119.950 0.183 0.000 2.629 342 F HA 0.775 5.302 4.527 -0.001 0.000 0.316 342 F C -1.094 174.745 175.800 0.064 0.000 1.081 342 F CA -1.369 56.726 58.000 0.159 0.000 0.954 342 F CB 1.612 40.638 39.000 0.042 0.000 1.337 342 F HN 0.183 nan 8.300 nan 0.000 0.474 343 L N 4.003 125.381 121.223 0.257 0.000 2.261 343 L HA 0.412 4.752 4.340 -0.000 0.000 0.289 343 L C -2.203 174.794 176.870 0.211 0.000 1.059 343 L CA -1.812 53.055 54.840 0.046 0.000 0.816 343 L CB 1.216 43.077 42.059 -0.330 0.000 1.191 343 L HN 0.395 nan 8.230 nan 0.000 0.431 344 P HA 0.116 nan 4.420 nan 0.000 0.276 344 P C -0.929 176.478 177.300 0.178 0.000 1.261 344 P CA -0.826 62.446 63.100 0.287 0.000 0.800 344 P CB 0.950 32.875 31.700 0.375 0.000 1.066 345 R N 1.616 122.188 120.500 0.120 0.000 2.248 345 R HA 0.431 4.771 4.340 -0.000 0.000 0.328 345 R C -0.761 175.640 176.300 0.167 0.000 1.067 345 R CA -0.201 55.969 56.100 0.116 0.000 0.924 345 R CB -0.479 29.862 30.300 0.069 0.000 1.013 345 R HN 0.475 nan 8.270 nan 0.000 0.454 346 L N 3.445 124.813 121.223 0.242 0.000 2.388 346 L HA 0.282 4.621 4.340 -0.000 0.000 0.264 346 L C 0.405 177.366 176.870 0.152 0.000 0.998 346 L CA -1.022 53.924 54.840 0.176 0.000 0.817 346 L CB 2.270 44.407 42.059 0.131 0.000 1.338 346 L HN 0.607 nan 8.230 nan 0.000 0.414 347 D N 1.733 122.189 120.400 0.093 0.000 2.178 347 D HA -0.118 4.521 4.640 -0.000 0.000 0.201 347 D C 1.845 178.210 176.300 0.109 0.000 0.980 347 D CA 1.529 55.585 54.000 0.094 0.000 0.842 347 D CB 0.074 40.919 40.800 0.075 0.000 0.948 347 D HN 0.865 nan 8.370 nan 0.000 0.472 348 G N 0.041 108.864 108.800 0.038 0.000 2.442 348 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 348 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 348 G C 1.535 176.424 174.900 -0.017 0.000 1.141 348 G CA 0.228 45.307 45.100 -0.036 0.000 0.763 348 G HN 0.264 nan 8.290 nan 0.000 0.554 349 F N 0.621 120.600 119.950 0.049 0.000 2.259 349 F HA 0.070 4.597 4.527 -0.000 0.000 0.298 349 F C 2.802 178.642 175.800 0.066 0.000 1.088 349 F CA 1.066 59.090 58.000 0.040 0.000 1.358 349 F CB 0.142 39.143 39.000 0.003 0.000 1.040 349 F HN 0.187 nan 8.300 nan 0.000 0.505 350 E N -0.088 120.257 120.200 0.241 0.000 2.016 350 E HA -0.153 4.196 4.350 -0.000 0.000 0.190 350 E C 2.392 179.059 176.600 0.111 0.000 0.985 350 E CA 0.506 56.991 56.400 0.142 0.000 0.802 350 E CB -0.086 29.671 29.700 0.096 0.000 0.762 350 E HN 0.133 nan 8.360 nan 0.000 0.448 351 R N 0.490 121.062 120.500 0.120 0.000 2.113 351 R HA -0.182 4.158 4.340 -0.000 0.000 0.244 351 R C 2.431 178.813 176.300 0.137 0.000 1.142 351 R CA 1.187 57.342 56.100 0.092 0.000 0.953 351 R CB -1.154 29.208 30.300 0.103 0.000 0.860 351 R HN 0.335 nan 8.270 nan 0.000 0.438 352 C N -0.646 118.797 119.300 0.239 0.000 2.429 352 C HA -0.079 4.381 4.460 -0.000 0.000 0.277 352 C C 2.748 177.875 174.990 0.227 0.000 1.262 352 C CA 0.973 60.144 59.018 0.255 0.000 1.733 352 C CB -1.436 26.454 27.740 0.249 0.000 2.010 352 C HN 0.691 nan 8.230 nan 0.000 0.483 353 G N 0.107 109.044 108.800 0.228 0.000 2.450 353 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 353 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 353 G C 1.474 176.168 174.900 -0.343 0.000 1.130 353 G CA 0.810 45.989 45.100 0.132 0.000 0.760 353 G HN 0.724 nan 8.290 nan 0.000 0.557 354 E N 0.603 120.678 120.200 -0.208 0.000 2.106 354 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 354 E C 2.327 178.748 176.600 -0.300 0.000 0.984 354 E CA 1.263 57.497 56.400 -0.277 0.000 0.806 354 E CB -0.060 29.565 29.700 -0.124 0.000 0.750 354 E HN 0.563 nan 8.360 nan 0.000 0.458 355 S N -0.112 115.497 115.700 -0.151 0.000 2.622 355 S HA 0.128 4.598 4.470 -0.000 0.000 0.236 355 S C 0.201 174.831 174.600 0.049 0.000 0.956 355 S CA -0.611 57.572 58.200 -0.029 0.000 0.971 355 S CB -0.703 62.520 63.200 0.038 0.000 0.782 355 S HN 0.259 nan 8.310 nan 0.000 0.468 356 F N 1.328 121.205 119.950 -0.122 0.000 2.907 356 F HA -0.199 4.327 4.527 -0.001 0.000 0.244 356 F C 0.019 175.848 175.800 0.048 0.000 1.007 356 F CA 0.419 58.215 58.000 -0.341 0.000 0.872 356 F CB -1.463 37.299 39.000 -0.397 0.000 0.767 356 F HN 0.299 nan 8.300 nan 0.000 0.837 357 D N -0.727 119.914 120.400 0.403 0.000 2.527 357 D HA 0.391 5.031 4.640 -0.000 0.000 0.233 357 D C 0.096 176.686 176.300 0.483 0.000 1.063 357 D CA -0.375 53.872 54.000 0.412 0.000 0.880 357 D CB 1.731 42.681 40.800 0.249 0.000 1.457 357 D HN -0.115 nan 8.370 nan 0.000 0.475 358 T N 0.385 115.167 114.554 0.379 0.000 2.910 358 T HA 0.101 4.451 4.350 -0.000 0.000 0.293 358 T C 1.318 176.142 174.700 0.207 0.000 1.015 358 T CA -0.369 61.894 62.100 0.271 0.000 1.094 358 T CB 1.402 70.492 68.868 0.370 0.000 0.968 358 T HN 0.067 nan 8.240 nan 0.000 0.521 359 V N 3.862 123.857 119.914 0.136 0.000 3.241 359 V HA -0.060 4.060 4.120 -0.000 0.000 0.269 359 V C 1.440 177.554 176.094 0.034 0.000 1.151 359 V CA 1.278 63.573 62.300 -0.009 0.000 1.158 359 V CB -0.643 31.056 31.823 -0.208 0.000 0.764 359 V HN 0.696 nan 8.190 nan 0.000 0.508 360 I N -0.356 120.304 120.570 0.151 0.000 3.039 360 I HA 0.013 4.182 4.170 -0.000 0.000 0.270 360 I C 2.505 178.807 176.117 0.308 0.000 1.150 360 I CA 1.632 63.044 61.300 0.187 0.000 1.448 360 I CB -0.807 37.282 38.000 0.149 0.000 1.197 360 I HN 0.489 nan 8.210 nan 0.000 0.450 361 S N 1.429 117.281 115.700 0.254 0.000 2.446 361 S HA 0.196 4.666 4.470 -0.000 0.000 0.225 361 S C 1.396 176.203 174.600 0.345 0.000 1.016 361 S CA 0.064 58.452 58.200 0.312 0.000 0.943 361 S CB -0.466 62.833 63.200 0.166 0.000 0.786 361 S HN 0.252 nan 8.310 nan 0.000 0.508 362 A N 2.636 125.584 122.820 0.214 0.000 2.561 362 A HA 0.163 4.483 4.320 -0.000 0.000 0.251 362 A C 0.314 177.860 177.584 -0.062 0.000 1.062 362 A CA -0.139 51.957 52.037 0.099 0.000 0.761 362 A CB -0.679 18.353 19.000 0.053 0.000 0.986 362 A HN 0.698 nan 8.150 nan 0.000 0.510 363 N N 3.338 121.963 118.700 -0.125 0.000 2.458 363 N HA 0.240 4.980 4.740 -0.000 0.000 0.270 363 N C -1.809 173.475 175.510 -0.376 0.000 1.102 363 N CA -1.778 50.994 53.050 -0.463 0.000 0.967 363 N CB 1.072 39.447 38.487 -0.187 0.000 1.078 363 N HN 0.257 nan 8.380 nan 0.000 0.471 364 P HA -0.109 nan 4.420 nan 0.000 0.218 364 P C 0.696 177.922 177.300 -0.123 0.000 1.149 364 P CA 0.905 63.833 63.100 -0.287 0.000 0.817 364 P CB 0.160 31.660 31.700 -0.333 0.000 0.785 365 A N -1.264 121.461 122.820 -0.158 0.000 2.070 365 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 365 A C 1.975 179.543 177.584 -0.027 0.000 1.159 365 A CA 2.000 53.994 52.037 -0.072 0.000 0.656 365 A CB -1.427 17.532 19.000 -0.068 0.000 0.800 365 A HN 0.179 nan 8.150 nan 0.000 0.453 366 T N -2.466 112.079 114.554 -0.016 0.000 2.990 366 T HA 0.152 4.502 4.350 -0.000 0.000 0.249 366 T C 0.350 175.079 174.700 0.049 0.000 1.039 366 T CA -0.302 61.807 62.100 0.015 0.000 1.036 366 T CB -0.185 68.696 68.868 0.020 0.000 0.994 366 T HN 0.390 nan 8.240 nan 0.000 0.489 367 Y N 3.034 123.288 120.300 -0.077 0.000 2.810 367 Y HA 0.195 4.744 4.550 -0.001 0.000 0.332 367 Y C 0.103 175.976 175.900 -0.045 0.000 1.243 367 Y CA -0.576 57.487 58.100 -0.062 0.000 1.537 367 Y CB 0.410 38.818 38.460 -0.087 0.000 1.265 367 Y HN -0.069 nan 8.280 nan 0.000 0.572 368 V N 7.859 127.422 119.914 -0.586 0.000 2.288 368 V HA 0.798 4.918 4.120 -0.000 0.000 0.266 368 V C -0.018 175.641 176.094 -0.724 0.000 1.048 368 V CA 0.796 62.816 62.300 -0.467 0.000 0.842 368 V CB -0.437 31.215 31.823 -0.286 0.000 1.064 368 V HN 1.152 nan 8.190 nan 0.000 0.472 369 G N 3.893 112.389 108.800 -0.508 0.000 2.341 369 G HA2 0.269 4.229 3.960 -0.000 0.000 0.293 369 G HA3 0.269 4.229 3.960 -0.000 0.000 0.293 369 G C -0.565 174.341 174.900 0.011 0.000 1.298 369 G CA -0.248 44.667 45.100 -0.308 0.000 0.868 369 G HN 1.430 nan 8.290 nan 0.000 0.540 370 S N -0.094 115.678 115.700 0.121 0.000 2.531 370 S HA 0.542 5.012 4.470 -0.000 0.000 0.279 370 S C 1.665 176.381 174.600 0.194 0.000 1.305 370 S CA 0.869 59.144 58.200 0.125 0.000 1.058 370 S CB 1.528 64.768 63.200 0.067 0.000 0.899 370 S HN 2.173 nan 8.310 nan 0.000 0.493 371 A N 2.860 125.748 122.820 0.113 0.000 2.024 371 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 371 A C 1.882 179.445 177.584 -0.034 0.000 1.164 371 A CA 1.564 53.621 52.037 0.034 0.000 0.643 371 A CB -0.709 18.293 19.000 0.004 0.000 0.806 371 A HN 0.918 nan 8.150 nan 0.000 0.451 372 D N 0.105 120.500 120.400 -0.008 0.000 2.084 372 D HA -0.080 4.559 4.640 -0.000 0.000 0.194 372 D C 2.353 178.626 176.300 -0.046 0.000 0.990 372 D CA 1.536 55.520 54.000 -0.027 0.000 0.826 372 D CB -0.405 40.389 40.800 -0.008 0.000 0.971 372 D HN 0.402 nan 8.370 nan 0.000 0.453 373 A N 1.567 124.380 122.820 -0.012 0.000 1.917 373 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 373 A C 2.321 179.828 177.584 -0.130 0.000 1.182 373 A CA 1.012 53.034 52.037 -0.024 0.000 0.633 373 A CB -0.888 18.148 19.000 0.061 0.000 0.819 373 A HN 0.263 nan 8.150 nan 0.000 0.448 374 L N -0.588 120.496 121.223 -0.232 0.000 1.994 374 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 374 L C 2.526 179.204 176.870 -0.320 0.000 1.071 374 L CA 2.248 56.803 54.840 -0.475 0.000 0.745 374 L CB -0.469 41.094 42.059 -0.827 0.000 0.892 374 L HN 0.448 nan 8.230 nan 0.000 0.431 375 K N -0.292 119.976 120.400 -0.220 0.000 2.063 375 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 375 K C 1.764 178.278 176.600 -0.145 0.000 1.048 375 K CA 1.548 57.741 56.287 -0.157 0.000 0.928 375 K CB -0.285 32.151 32.500 -0.107 0.000 0.713 375 K HN 0.450 nan 8.250 nan 0.000 0.442 376 N N 1.118 119.737 118.700 -0.135 0.000 2.084 376 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 376 N C 1.838 177.252 175.510 -0.160 0.000 1.030 376 N CA 1.538 54.522 53.050 -0.110 0.000 0.849 376 N CB -0.322 38.121 38.487 -0.073 0.000 1.012 376 N HN 0.207 nan 8.380 nan 0.000 0.423 377 A N 1.466 124.114 122.820 -0.286 0.000 1.930 377 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 377 A C 2.280 179.610 177.584 -0.424 0.000 1.175 377 A CA 1.049 52.758 52.037 -0.548 0.000 0.627 377 A CB -0.452 17.976 19.000 -0.953 0.000 0.815 377 A HN 0.233 nan 8.150 nan 0.000 0.443 378 R N -0.088 120.237 120.500 -0.291 0.000 2.083 378 R HA -0.117 4.223 4.340 -0.000 0.000 0.237 378 R C 1.906 178.146 176.300 -0.101 0.000 1.137 378 R CA 1.988 57.991 56.100 -0.162 0.000 0.951 378 R CB -0.422 29.804 30.300 -0.123 0.000 0.851 378 R HN 0.534 nan 8.270 nan 0.000 0.434 379 I N 0.742 121.252 120.570 -0.101 0.000 2.286 379 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 379 I C 2.565 178.661 176.117 -0.034 0.000 1.115 379 I CA 1.175 62.432 61.300 -0.073 0.000 1.392 379 I CB -0.347 37.614 38.000 -0.064 0.000 1.065 379 I HN 0.325 nan 8.210 nan 0.000 0.418 380 A N 0.761 123.568 122.820 -0.022 0.000 1.898 380 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 380 A C 2.567 180.238 177.584 0.146 0.000 1.181 380 A CA 1.672 53.743 52.037 0.058 0.000 0.620 380 A CB -0.760 18.305 19.000 0.108 0.000 0.819 380 A HN 0.407 nan 8.150 nan 0.000 0.442 381 A N -0.077 122.843 122.820 0.165 0.000 1.877 381 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 381 A C 1.923 179.613 177.584 0.177 0.000 1.186 381 A CA 1.730 53.913 52.037 0.244 0.000 0.620 381 A CB -0.606 18.523 19.000 0.215 0.000 0.822 381 A HN 0.631 nan 8.150 nan 0.000 0.443 382 E N -0.347 119.893 120.200 0.067 0.000 2.058 382 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 382 E C 1.625 178.302 176.600 0.129 0.000 0.997 382 E CA 1.339 57.748 56.400 0.016 0.000 0.801 382 E CB -0.248 29.306 29.700 -0.243 0.000 0.746 382 E HN 0.532 nan 8.360 nan 0.000 0.450 383 D N -0.065 120.384 120.400 0.081 0.000 2.144 383 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 383 D C 1.535 177.868 176.300 0.055 0.000 0.984 383 D CA 0.664 54.703 54.000 0.064 0.000 0.834 383 D CB -0.231 40.576 40.800 0.011 0.000 0.955 383 D HN 0.079 nan 8.370 nan 0.000 0.465 384 F N 1.318 121.229 119.950 -0.066 0.000 2.113 384 F HA -0.076 4.450 4.527 -0.001 0.000 0.297 384 F C 2.127 177.829 175.800 -0.163 0.000 1.103 384 F CA 1.454 59.371 58.000 -0.138 0.000 1.248 384 F CB -0.470 38.439 39.000 -0.152 0.000 0.999 384 F HN -0.054 nan 8.300 nan 0.000 0.475 385 A N 0.205 122.914 122.820 -0.185 0.000 1.877 385 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 385 A C 2.169 179.604 177.584 -0.249 0.000 1.186 385 A CA 1.959 53.827 52.037 -0.282 0.000 0.620 385 A CB -0.838 18.134 19.000 -0.047 0.000 0.822 385 A HN 0.339 nan 8.150 nan 0.000 0.443 386 K N 0.352 120.670 120.400 -0.136 0.000 2.063 386 K HA -0.026 4.294 4.320 -0.000 0.000 0.208 386 K C 1.944 178.472 176.600 -0.119 0.000 1.048 386 K CA 1.758 57.923 56.287 -0.204 0.000 0.928 386 K CB -0.686 31.668 32.500 -0.243 0.000 0.713 386 K HN 0.346 nan 8.250 nan 0.000 0.442 387 A N -0.180 122.538 122.820 -0.170 0.000 1.930 387 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 387 A C 2.337 179.801 177.584 -0.200 0.000 1.175 387 A CA 1.660 53.604 52.037 -0.155 0.000 0.627 387 A CB -0.608 18.299 19.000 -0.155 0.000 0.815 387 A HN 0.116 nan 8.150 nan 0.000 0.443 388 V N -1.268 118.396 119.914 -0.417 0.000 2.270 388 V HA -0.213 3.906 4.120 -0.000 0.000 0.245 388 V C 2.236 178.199 176.094 -0.218 0.000 1.043 388 V CA 2.060 64.073 62.300 -0.479 0.000 1.014 388 V CB -0.922 30.325 31.823 -0.959 0.000 0.645 388 V HN 0.649 nan 8.190 nan 0.000 0.447 389 F N 1.640 121.386 119.950 -0.341 0.000 2.065 389 F HA -0.267 4.260 4.527 -0.000 0.000 0.298 389 F C 2.241 178.007 175.800 -0.057 0.000 1.112 389 F CA 2.313 60.186 58.000 -0.213 0.000 1.212 389 F CB -0.367 38.500 39.000 -0.221 0.000 0.975 389 F HN 0.233 nan 8.300 nan 0.000 0.476 390 D N -0.082 120.357 120.400 0.066 0.000 2.178 390 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 390 D C 2.386 178.689 176.300 0.005 0.000 0.980 390 D CA 0.761 54.782 54.000 0.034 0.000 0.842 390 D CB -0.334 40.513 40.800 0.079 0.000 0.948 390 D HN 0.252 nan 8.370 nan 0.000 0.472 391 R N 0.382 120.890 120.500 0.013 0.000 2.066 391 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 391 R C 2.231 178.586 176.300 0.092 0.000 1.131 391 R CA 0.426 56.576 56.100 0.083 0.000 0.955 391 R CB -0.538 29.845 30.300 0.138 0.000 0.851 391 R HN 0.245 nan 8.270 nan 0.000 0.432 392 I N 0.974 121.549 120.570 0.009 0.000 2.179 392 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 392 I C 2.313 178.316 176.117 -0.190 0.000 1.088 392 I CA 1.222 62.478 61.300 -0.075 0.000 1.357 392 I CB -1.170 36.752 38.000 -0.130 0.000 1.051 392 I HN 0.111 nan 8.210 nan 0.000 0.409 393 E N 1.211 121.272 120.200 -0.233 0.000 2.065 393 E HA -0.303 4.046 4.350 -0.000 0.000 0.201 393 E C 2.204 178.790 176.600 -0.023 0.000 1.016 393 E CA 1.768 58.076 56.400 -0.153 0.000 0.818 393 E CB -0.648 28.976 29.700 -0.127 0.000 0.749 393 E HN 0.367 nan 8.360 nan 0.000 0.453 394 F N 0.318 120.228 119.950 -0.066 0.000 2.126 394 F HA -0.115 4.411 4.527 -0.001 0.000 0.299 394 F C 2.030 177.815 175.800 -0.024 0.000 1.096 394 F CA 1.532 59.516 58.000 -0.026 0.000 1.255 394 F 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