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 2zu0_1_B DATA FIRST_RESID 9 DATA SEQUENCE NALQQWHHLF EAEGTKRSPQ AQQHLQQLLR TGLPTRKHEN WKYTPLEGLI DATA SEQUENCE NSQFVSIAGE ISPQQRDALA LTLDSVRLVF VDGRYVPALS DATEGSGYEV DATA SEQUENCE SINDDRQGLP DAIQAEVFLH LTESLAQSVT HIAVKRGQRP AKPLLLMHIT DATA SEQUENCE QGVAGEEVNT AHYRHHLDLA EGAEATVIEH FVSLNDARHF TGARFTINVA DATA SEQUENCE ANAHLQHIKL AFENPLSHHF AHNDLLLAED ATAFSHSFLL GGAVLRHNTS DATA SEQUENCE TQLNGENSTL RINSLAMPVK NEVCDTRTWL EHNKGFCNSR QLHKTIVSDK DATA SEQUENCE GRAVFNGLIN VAQHAIKTDG QMTNNNLLMG KLAEVDTKPQ LEIYADDVKC DATA SEQUENCE SHGATVGRID DEQIFYLRSR GINQQDAQQM IIYAFAAELT EALRDEGLKQ DATA SEQUENCE QVLARIGQRL PGGA 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 9 N HA 0.000 nan 4.740 nan 0.000 0.220 9 N C 0.000 175.361 175.510 -0.248 0.000 1.280 9 N CA 0.000 52.958 53.050 -0.153 0.000 0.885 9 N CB 0.000 38.394 38.487 -0.155 0.000 1.341 10 A N 0.391 122.992 122.820 -0.364 0.000 1.915 10 A HA -0.202 4.118 4.320 -0.001 0.000 0.220 10 A C 2.000 178.888 177.584 -1.160 0.000 1.198 10 A CA 2.286 53.839 52.037 -0.805 0.000 0.647 10 A CB -0.806 17.603 19.000 -0.985 0.000 0.825 10 A HN 0.558 nan 8.150 nan 0.000 0.456 11 L N -0.385 120.405 121.223 -0.722 0.000 2.042 11 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 11 L C 2.672 179.453 176.870 -0.148 0.000 1.076 11 L CA 2.706 57.322 54.840 -0.374 0.000 0.749 11 L CB -0.825 41.103 42.059 -0.218 0.000 0.893 11 L HN 0.681 nan 8.230 nan 0.000 0.432 12 Q N -0.822 118.898 119.800 -0.133 0.000 2.050 12 Q HA -0.228 4.112 4.340 -0.001 0.000 0.202 12 Q C 2.120 178.151 176.000 0.052 0.000 0.980 12 Q CA 1.947 57.750 55.803 0.000 0.000 0.840 12 Q CB -0.363 28.356 28.738 -0.033 0.000 0.898 12 Q HN 0.608 nan 8.270 nan 0.000 0.424 13 Q N -1.012 118.759 119.800 -0.050 0.000 2.050 13 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 13 Q C 1.796 177.933 176.000 0.229 0.000 0.980 13 Q CA 1.515 57.350 55.803 0.053 0.000 0.840 13 Q CB -0.287 28.481 28.738 0.051 0.000 0.898 13 Q HN 0.533 nan 8.270 nan 0.000 0.424 14 W N 0.127 121.456 121.300 0.048 0.000 2.363 14 W HA -0.145 4.515 4.660 -0.001 0.000 0.296 14 W C 1.935 178.541 176.519 0.144 0.000 1.212 14 W CA 1.068 58.422 57.345 0.016 0.000 1.260 14 W CB -1.266 28.123 29.460 -0.118 0.000 1.131 14 W HN 0.450 nan 8.180 nan 0.000 0.530 15 H N -1.447 117.761 119.070 0.230 0.000 2.387 15 H HA -0.213 4.343 4.556 -0.000 0.000 0.299 15 H C 2.488 177.953 175.328 0.228 0.000 1.090 15 H CA 1.773 57.917 56.048 0.160 0.000 1.332 15 H CB -0.269 29.532 29.762 0.065 0.000 1.386 15 H HN 0.011 nan 8.280 nan 0.000 0.516 16 H N 1.018 120.193 119.070 0.174 0.000 2.321 16 H HA -0.120 4.436 4.556 -0.001 0.000 0.300 16 H C 2.365 177.776 175.328 0.138 0.000 1.087 16 H CA 1.582 57.679 56.048 0.081 0.000 1.319 16 H CB -0.171 29.627 29.762 0.060 0.000 1.379 16 H HN 0.390 nan 8.280 nan 0.000 0.501 17 L N -0.341 121.097 121.223 0.358 0.000 2.083 17 L HA -0.188 4.152 4.340 -0.001 0.000 0.209 17 L C 2.687 179.647 176.870 0.150 0.000 1.083 17 L CA 1.271 56.265 54.840 0.258 0.000 0.752 17 L CB -0.665 41.563 42.059 0.282 0.000 0.899 17 L HN 0.186 nan 8.230 nan 0.000 0.433 18 F N 1.029 121.026 119.950 0.078 0.000 2.102 18 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 18 F C 2.580 178.385 175.800 0.009 0.000 1.105 18 F CA 1.576 59.605 58.000 0.047 0.000 1.239 18 F CB 0.007 39.070 39.000 0.105 0.000 0.991 18 F HN 0.011 nan 8.300 nan 0.000 0.474 19 E N 0.394 120.664 120.200 0.116 0.000 2.216 19 E HA -0.051 4.298 4.350 -0.001 0.000 0.192 19 E C 2.346 178.841 176.600 -0.176 0.000 0.988 19 E CA 0.812 57.183 56.400 -0.049 0.000 0.834 19 E CB -0.602 29.068 29.700 -0.050 0.000 0.772 19 E HN 0.472 nan 8.360 nan 0.000 0.479 20 A N 1.323 124.010 122.820 -0.222 0.000 2.084 20 A HA -0.175 4.144 4.320 -0.001 0.000 0.221 20 A C 1.462 178.969 177.584 -0.130 0.000 1.161 20 A CA 1.350 53.266 52.037 -0.201 0.000 0.653 20 A CB 0.016 18.937 19.000 -0.132 0.000 0.802 20 A HN -0.002 nan 8.150 nan 0.000 0.457 21 E N -1.646 118.459 120.200 -0.159 0.000 2.876 21 E HA 0.158 4.507 4.350 -0.001 0.000 0.208 21 E C 1.571 178.041 176.600 -0.216 0.000 0.981 21 E CA 0.477 56.785 56.400 -0.154 0.000 1.174 21 E CB -0.337 29.281 29.700 -0.136 0.000 1.047 21 E HN 0.417 nan 8.360 nan 0.000 0.477 22 G N 1.975 110.633 108.800 -0.237 0.000 2.663 22 G HA2 -0.441 3.518 3.960 -0.001 0.000 0.222 22 G HA3 -0.441 3.518 3.960 -0.001 0.000 0.222 22 G C 1.702 176.497 174.900 -0.176 0.000 1.146 22 G CA 2.422 47.373 45.100 -0.249 0.000 0.764 22 G HN 0.431 nan 8.290 nan 0.000 0.608 23 T N -0.853 113.634 114.554 -0.112 0.000 2.737 23 T HA -0.111 4.238 4.350 -0.001 0.000 0.269 23 T C 1.926 176.579 174.700 -0.078 0.000 1.040 23 T CA 1.755 63.811 62.100 -0.073 0.000 1.142 23 T CB -0.246 68.591 68.868 -0.052 0.000 0.861 23 T HN 0.404 nan 8.240 nan 0.000 0.456 24 K N 0.752 121.087 120.400 -0.107 0.000 2.469 24 K HA 0.173 4.493 4.320 -0.001 0.000 0.201 24 K C 0.051 176.581 176.600 -0.118 0.000 1.028 24 K CA -0.259 55.973 56.287 -0.090 0.000 1.170 24 K CB 0.320 32.773 32.500 -0.077 0.000 0.874 24 K HN 0.226 nan 8.250 nan 0.000 0.507 25 R N 1.697 122.095 120.500 -0.170 0.000 2.254 25 R HA 0.114 4.454 4.340 -0.001 0.000 0.318 25 R C 0.483 176.773 176.300 -0.018 0.000 1.031 25 R CA -0.191 55.806 56.100 -0.173 0.000 0.905 25 R CB 1.062 31.102 30.300 -0.433 0.000 1.050 25 R HN 0.137 nan 8.270 nan 0.000 0.456 26 S N 2.622 118.341 115.700 0.031 0.000 2.600 26 S HA 0.207 4.676 4.470 -0.001 0.000 0.265 26 S C -1.675 172.982 174.600 0.094 0.000 1.325 26 S CA -0.992 57.243 58.200 0.059 0.000 1.002 26 S CB 1.027 64.267 63.200 0.066 0.000 0.921 26 S HN 0.263 nan 8.310 nan 0.000 0.554 27 P HA -0.056 nan 4.420 nan 0.000 0.217 27 P C 1.304 178.643 177.300 0.065 0.000 1.150 27 P CA 1.087 64.225 63.100 0.062 0.000 0.832 27 P CB 0.004 31.725 31.700 0.035 0.000 0.787 28 Q N -0.350 119.497 119.800 0.078 0.000 2.084 28 Q HA -0.081 4.258 4.340 -0.001 0.000 0.202 28 Q C 2.288 178.400 176.000 0.187 0.000 0.978 28 Q CA 1.913 57.776 55.803 0.100 0.000 0.844 28 Q CB -1.484 27.329 28.738 0.125 0.000 0.898 28 Q HN 0.152 nan 8.270 nan 0.000 0.426 29 A N 0.442 123.385 122.820 0.204 0.000 1.908 29 A HA -0.256 4.063 4.320 -0.001 0.000 0.218 29 A C 2.110 179.846 177.584 0.253 0.000 1.181 29 A CA 1.484 53.683 52.037 0.271 0.000 0.627 29 A CB -0.522 18.647 19.000 0.281 0.000 0.818 29 A HN 0.239 nan 8.150 nan 0.000 0.445 30 Q N -0.355 119.589 119.800 0.239 0.000 2.124 30 Q HA -0.210 4.130 4.340 -0.001 0.000 0.202 30 Q C 2.203 178.152 176.000 -0.086 0.000 0.977 30 Q CA 1.945 57.813 55.803 0.108 0.000 0.850 30 Q CB -0.329 28.503 28.738 0.156 0.000 0.901 30 Q HN 0.848 nan 8.270 nan 0.000 0.429 31 Q N -1.159 118.599 119.800 -0.069 0.000 2.124 31 Q HA -0.155 4.185 4.340 -0.001 0.000 0.202 31 Q C 1.994 177.824 176.000 -0.284 0.000 0.977 31 Q CA 0.985 56.678 55.803 -0.183 0.000 0.850 31 Q CB -0.108 28.508 28.738 -0.203 0.000 0.901 31 Q HN 0.521 nan 8.270 nan 0.000 0.429 32 H N 0.214 119.206 119.070 -0.129 0.000 2.395 32 H HA -0.049 4.507 4.556 -0.001 0.000 0.299 32 H C 2.109 177.262 175.328 -0.291 0.000 1.070 32 H CA 0.820 56.776 56.048 -0.153 0.000 1.356 32 H CB 0.003 29.770 29.762 0.008 0.000 1.401 32 H HN 0.207 nan 8.280 nan 0.000 0.524 33 L N 1.184 122.260 121.223 -0.245 0.000 2.046 33 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 33 L C 1.930 178.541 176.870 -0.431 0.000 1.077 33 L CA 1.571 56.126 54.840 -0.476 0.000 0.747 33 L CB -0.366 41.084 42.059 -1.016 0.000 0.896 33 L HN 0.201 nan 8.230 nan 0.000 0.432 34 Q N -0.164 119.415 119.800 -0.368 0.000 2.050 34 Q HA -0.202 4.137 4.340 -0.001 0.000 0.202 34 Q C 2.158 177.972 176.000 -0.310 0.000 0.980 34 Q CA 1.385 57.003 55.803 -0.309 0.000 0.840 34 Q CB -0.390 28.206 28.738 -0.238 0.000 0.898 34 Q HN 0.603 nan 8.270 nan 0.000 0.424 35 Q N 0.241 119.807 119.800 -0.390 0.000 2.124 35 Q HA -0.117 4.222 4.340 -0.001 0.000 0.202 35 Q C 2.216 177.965 176.000 -0.419 0.000 0.977 35 Q CA 0.700 56.213 55.803 -0.483 0.000 0.850 35 Q CB -0.436 27.767 28.738 -0.891 0.000 0.901 35 Q HN 0.274 nan 8.270 nan 0.000 0.429 36 L N 0.592 121.587 121.223 -0.380 0.000 1.989 36 L HA -0.155 4.185 4.340 -0.001 0.000 0.211 36 L C 2.091 178.846 176.870 -0.192 0.000 1.071 36 L CA 1.639 56.347 54.840 -0.219 0.000 0.749 36 L CB -0.720 41.232 42.059 -0.179 0.000 0.890 36 L HN 0.142 nan 8.230 nan 0.000 0.431 37 L N -0.900 120.182 121.223 -0.235 0.000 2.201 37 L HA -0.138 4.202 4.340 -0.001 0.000 0.212 37 L C 2.741 179.515 176.870 -0.159 0.000 1.105 37 L CA 1.077 55.794 54.840 -0.206 0.000 0.775 37 L CB -0.572 41.324 42.059 -0.273 0.000 0.913 37 L HN 0.335 nan 8.230 nan 0.000 0.440 38 R N 0.306 120.707 120.500 -0.166 0.000 2.055 38 R HA -0.139 4.200 4.340 -0.001 0.000 0.228 38 R C 2.552 178.797 176.300 -0.093 0.000 1.143 38 R CA 1.997 58.022 56.100 -0.126 0.000 0.945 38 R CB -0.294 29.923 30.300 -0.139 0.000 0.841 38 R HN 0.408 nan 8.270 nan 0.000 0.429 39 T N -2.000 112.500 114.554 -0.091 0.000 2.867 39 T HA 0.128 4.477 4.350 -0.001 0.000 0.268 39 T C 1.148 175.814 174.700 -0.057 0.000 1.057 39 T CA 0.712 62.785 62.100 -0.044 0.000 1.136 39 T CB -0.453 68.413 68.868 -0.004 0.000 0.874 39 T HN 0.586 nan 8.240 nan 0.000 0.466 40 G N 1.194 109.939 108.800 -0.092 0.000 2.752 40 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.234 40 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.234 40 G C -0.636 174.177 174.900 -0.144 0.000 1.367 40 G CA -0.311 44.724 45.100 -0.109 0.000 0.879 40 G HN 0.720 nan 8.290 nan 0.000 0.563 41 L N 2.276 123.397 121.223 -0.170 0.000 2.312 41 L HA 0.459 4.799 4.340 -0.001 0.000 0.281 41 L C -0.964 175.755 176.870 -0.251 0.000 1.070 41 L CA -1.597 53.096 54.840 -0.245 0.000 0.805 41 L CB 1.281 43.205 42.059 -0.226 0.000 1.174 41 L HN 0.619 nan 8.230 nan 0.000 0.434 42 P HA 0.215 nan 4.420 nan 0.000 0.276 42 P C -0.645 176.507 177.300 -0.246 0.000 1.244 42 P CA -0.349 62.522 63.100 -0.383 0.000 0.801 42 P CB 1.198 32.329 31.700 -0.949 0.000 1.006 43 T N -2.511 112.012 114.554 -0.052 0.000 2.938 43 T HA 0.365 4.715 4.350 -0.001 0.000 0.285 43 T C 1.226 175.986 174.700 0.100 0.000 1.028 43 T CA -0.960 61.144 62.100 0.006 0.000 1.005 43 T CB 1.160 70.041 68.868 0.022 0.000 1.157 43 T HN 0.504 nan 8.240 nan 0.000 0.550 44 R N -0.030 120.526 120.500 0.094 0.000 2.357 44 R HA 0.103 4.442 4.340 -0.001 0.000 0.202 44 R C 0.978 177.332 176.300 0.090 0.000 1.047 44 R CA 0.590 56.756 56.100 0.111 0.000 1.034 44 R CB -0.335 30.006 30.300 0.069 0.000 0.875 44 R HN 0.337 nan 8.270 nan 0.000 0.473 45 K N 0.318 120.777 120.400 0.098 0.000 2.379 45 K HA 0.053 4.372 4.320 -0.001 0.000 0.194 45 K C -0.032 176.639 176.600 0.118 0.000 1.031 45 K CA 0.206 56.538 56.287 0.074 0.000 1.037 45 K CB -0.029 32.499 32.500 0.047 0.000 0.824 45 K HN 0.368 nan 8.250 nan 0.000 0.516 46 H N 0.310 119.443 119.070 0.104 0.000 2.815 46 H HA -0.022 4.533 4.556 -0.001 0.000 0.350 46 H C 1.382 176.805 175.328 0.159 0.000 1.080 46 H CA 0.408 56.551 56.048 0.159 0.000 1.433 46 H CB 0.916 30.833 29.762 0.258 0.000 1.432 46 H HN 0.199 nan 8.280 nan 0.000 0.592 47 E N 2.911 123.144 120.200 0.055 0.000 2.114 47 E HA -0.295 4.055 4.350 -0.001 0.000 0.199 47 E C 0.356 177.091 176.600 0.224 0.000 1.008 47 E CA 1.643 58.112 56.400 0.115 0.000 0.810 47 E CB 0.088 29.792 29.700 0.006 0.000 0.739 47 E HN 0.686 nan 8.360 nan 0.000 0.456 48 N N -1.183 117.797 118.700 0.466 0.000 2.251 48 N HA 0.037 4.777 4.740 -0.001 0.000 0.217 48 N C -0.715 174.585 175.510 -0.350 0.000 1.124 48 N CA 0.165 53.231 53.050 0.026 0.000 0.843 48 N CB 0.334 38.786 38.487 -0.058 0.000 1.024 48 N HN 0.288 nan 8.380 nan 0.000 0.501 49 W N 0.151 121.507 121.300 0.093 0.000 2.190 49 W HA 0.338 4.997 4.660 -0.001 0.000 0.337 49 W C 1.694 178.178 176.519 -0.057 0.000 0.911 49 W CA -0.583 56.781 57.345 0.033 0.000 1.925 49 W CB 0.452 29.936 29.460 0.040 0.000 1.134 49 W HN -0.094 nan 8.180 nan 0.000 0.536 50 K N -0.035 120.288 120.400 -0.128 0.000 2.148 50 K HA -0.146 4.173 4.320 -0.001 0.000 0.204 50 K C 0.623 176.957 176.600 -0.442 0.000 1.050 50 K CA 1.619 57.651 56.287 -0.425 0.000 0.942 50 K CB 0.008 31.972 32.500 -0.894 0.000 0.724 50 K HN 0.306 nan 8.250 nan 0.000 0.446 51 Y N -0.849 119.505 120.300 0.090 0.000 2.481 51 Y HA 0.242 4.792 4.550 -0.001 0.000 0.247 51 Y C -0.115 175.836 175.900 0.085 0.000 1.151 51 Y CA -0.567 57.575 58.100 0.069 0.000 1.238 51 Y CB 0.950 39.425 38.460 0.025 0.000 1.179 51 Y HN -0.222 nan 8.280 nan 0.000 0.524 52 T N 5.117 119.816 114.554 0.242 0.000 2.821 52 T HA 0.261 4.611 4.350 -0.001 0.000 0.307 52 T C -2.672 172.250 174.700 0.371 0.000 1.034 52 T CA -1.599 60.658 62.100 0.263 0.000 0.953 52 T CB 1.162 70.137 68.868 0.178 0.000 0.968 52 T HN -0.071 nan 8.240 nan 0.000 0.462 53 P HA 0.248 nan 4.420 nan 0.000 0.271 53 P C -0.024 177.458 177.300 0.304 0.000 1.220 53 P CA -0.302 62.951 63.100 0.254 0.000 0.768 53 P CB 1.276 33.089 31.700 0.188 0.000 0.848 54 L N 1.699 123.054 121.223 0.220 0.000 2.731 54 L HA 0.057 4.397 4.340 -0.001 0.000 0.240 54 L C 1.853 178.762 176.870 0.065 0.000 1.120 54 L CA 0.187 55.118 54.840 0.151 0.000 0.913 54 L CB -0.138 41.963 42.059 0.070 0.000 1.213 54 L HN 0.193 nan 8.230 nan 0.000 0.515 55 E N 1.111 121.355 120.200 0.073 0.000 2.070 55 E HA -0.188 4.162 4.350 -0.001 0.000 0.197 55 E C 2.197 178.808 176.600 0.019 0.000 1.004 55 E CA 1.529 57.948 56.400 0.032 0.000 0.805 55 E CB -0.647 29.079 29.700 0.042 0.000 0.744 55 E HN 0.385 nan 8.360 nan 0.000 0.451 56 G N -0.021 108.825 108.800 0.076 0.000 2.527 56 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.219 56 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.219 56 G C 1.378 176.233 174.900 -0.074 0.000 1.117 56 G CA 0.735 45.884 45.100 0.082 0.000 0.759 56 G HN 0.179 nan 8.290 nan 0.000 0.556 57 L N 0.296 121.403 121.223 -0.193 0.000 2.349 57 L HA 0.304 4.644 4.340 -0.001 0.000 0.200 57 L C 2.254 179.104 176.870 -0.034 0.000 1.064 57 L CA 0.659 55.296 54.840 -0.337 0.000 0.821 57 L CB -0.120 41.577 42.059 -0.604 0.000 1.027 57 L HN 0.203 nan 8.230 nan 0.000 0.476 58 I N -2.148 118.399 120.570 -0.039 0.000 3.111 58 I HA 0.067 4.237 4.170 -0.001 0.000 0.272 58 I C 1.030 177.100 176.117 -0.078 0.000 1.268 58 I CA 1.035 62.308 61.300 -0.045 0.000 1.467 58 I CB -0.965 36.972 38.000 -0.105 0.000 1.087 58 I HN 0.154 nan 8.210 nan 0.000 0.467 59 N N 0.822 119.465 118.700 -0.095 0.000 2.268 59 N HA 0.177 4.917 4.740 -0.001 0.000 0.204 59 N C -0.004 175.405 175.510 -0.169 0.000 1.124 59 N CA 0.108 53.093 53.050 -0.108 0.000 0.838 59 N CB 0.312 38.754 38.487 -0.075 0.000 0.994 59 N HN 0.330 nan 8.380 nan 0.000 0.489 60 S N 0.668 116.194 115.700 -0.289 0.000 2.687 60 S HA 0.338 4.807 4.470 -0.001 0.000 0.283 60 S C 0.124 174.380 174.600 -0.572 0.000 1.170 60 S CA -0.610 57.293 58.200 -0.494 0.000 1.008 60 S CB 1.670 64.399 63.200 -0.786 0.000 1.026 60 S HN 0.027 nan 8.310 nan 0.000 0.541 61 Q N 1.393 120.920 119.800 -0.454 0.000 2.340 61 Q HA 0.456 4.796 4.340 -0.001 0.000 0.259 61 Q C -1.200 174.619 176.000 -0.301 0.000 0.964 61 Q CA 0.019 55.663 55.803 -0.265 0.000 0.900 61 Q CB 0.657 29.316 28.738 -0.131 0.000 1.228 61 Q HN 0.489 nan 8.270 nan 0.000 0.449 62 F N 1.302 121.297 119.950 0.075 0.000 2.403 62 F HA 0.645 5.171 4.527 -0.001 0.000 0.326 62 F C 0.755 176.643 175.800 0.147 0.000 1.081 62 F CA -0.854 57.249 58.000 0.171 0.000 1.041 62 F CB 1.283 40.475 39.000 0.321 0.000 1.234 62 F HN 0.242 nan 8.300 nan 0.000 0.503 63 V N -1.527 118.618 119.914 0.385 0.000 3.206 63 V HA 0.803 4.923 4.120 -0.001 0.000 0.305 63 V C -1.039 175.215 176.094 0.266 0.000 1.257 63 V CA -0.828 61.629 62.300 0.261 0.000 1.057 63 V CB 1.684 33.609 31.823 0.170 0.000 1.075 63 V HN 0.693 nan 8.190 nan 0.000 0.443 64 S N 2.354 118.171 115.700 0.195 0.000 2.461 64 S HA 0.735 5.205 4.470 -0.001 0.000 0.216 64 S C -1.105 173.556 174.600 0.102 0.000 1.201 64 S CA -0.524 57.765 58.200 0.149 0.000 1.171 64 S CB -0.006 63.278 63.200 0.141 0.000 1.169 64 S HN 0.800 nan 8.310 nan 0.000 0.456 65 I N 2.490 123.114 120.570 0.089 0.000 2.608 65 I HA 0.720 4.889 4.170 -0.001 0.000 0.295 65 I C 0.116 176.264 176.117 0.051 0.000 1.049 65 I CA -1.261 60.079 61.300 0.066 0.000 1.063 65 I CB 1.168 39.209 38.000 0.068 0.000 1.248 65 I HN 0.581 nan 8.210 nan 0.000 0.424 66 A N 3.547 126.390 122.820 0.038 0.000 2.271 66 A HA 0.827 5.146 4.320 -0.001 0.000 0.317 66 A C 0.236 177.837 177.584 0.029 0.000 1.245 66 A CA -0.313 51.744 52.037 0.032 0.000 0.857 66 A CB 0.861 19.876 19.000 0.025 0.000 1.175 66 A HN 0.981 nan 8.150 nan 0.000 0.512 67 G N 0.657 109.475 108.800 0.030 0.000 2.509 67 G HA2 0.548 4.508 3.960 -0.001 0.000 0.328 67 G HA3 0.548 4.508 3.960 -0.001 0.000 0.328 67 G C -0.572 174.335 174.900 0.013 0.000 1.194 67 G CA -0.499 44.615 45.100 0.023 0.000 0.967 67 G HN 0.821 nan 8.290 nan 0.000 0.488 68 E N -0.559 119.645 120.200 0.006 0.000 2.266 68 E HA 0.494 4.844 4.350 -0.001 0.000 0.277 68 E C -1.149 175.449 176.600 -0.004 0.000 1.018 68 E CA -0.559 55.838 56.400 -0.006 0.000 0.840 68 E CB 1.170 30.864 29.700 -0.009 0.000 1.082 68 E HN 0.139 nan 8.360 nan 0.000 0.395 69 I N 2.753 123.314 120.570 -0.014 0.000 2.608 69 I HA 0.149 4.319 4.170 -0.001 0.000 0.295 69 I C -0.165 175.938 176.117 -0.023 0.000 1.049 69 I CA -0.327 60.966 61.300 -0.012 0.000 1.063 69 I CB 2.108 40.101 38.000 -0.011 0.000 1.248 69 I HN 0.622 nan 8.210 nan 0.000 0.424 70 S N 4.946 120.636 115.700 -0.017 0.000 2.652 70 S HA 0.502 4.972 4.470 -0.001 0.000 0.270 70 S C -2.129 172.456 174.600 -0.025 0.000 1.243 70 S CA -0.984 57.204 58.200 -0.021 0.000 0.999 70 S CB 1.113 64.306 63.200 -0.012 0.000 0.973 70 S HN 0.409 nan 8.310 nan 0.000 0.544 71 P HA -0.067 nan 4.420 nan 0.000 0.218 71 P C 1.261 178.550 177.300 -0.019 0.000 1.149 71 P CA 1.107 64.189 63.100 -0.030 0.000 0.817 71 P CB 0.020 31.702 31.700 -0.030 0.000 0.785 72 Q N -0.454 119.339 119.800 -0.012 0.000 2.050 72 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 72 Q C 2.271 178.271 176.000 0.001 0.000 0.980 72 Q CA 1.634 57.434 55.803 -0.004 0.000 0.840 72 Q CB -1.014 27.723 28.738 -0.002 0.000 0.898 72 Q HN 0.389 nan 8.270 nan 0.000 0.424 73 Q N -0.188 119.612 119.800 0.001 0.000 2.084 73 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 73 Q C 2.158 178.162 176.000 0.007 0.000 0.978 73 Q CA 1.249 57.056 55.803 0.007 0.000 0.844 73 Q CB -0.170 28.572 28.738 0.007 0.000 0.898 73 Q HN 0.276 nan 8.270 nan 0.000 0.426 74 R N 0.891 121.387 120.500 -0.006 0.000 2.070 74 R HA -0.184 4.155 4.340 -0.001 0.000 0.233 74 R C 1.290 177.592 176.300 0.003 0.000 1.137 74 R CA 1.950 58.044 56.100 -0.010 0.000 0.945 74 R CB -0.161 30.120 30.300 -0.032 0.000 0.845 74 R HN 0.203 nan 8.270 nan 0.000 0.430 75 D N 0.577 120.977 120.400 -0.000 0.000 2.158 75 D HA -0.162 4.477 4.640 -0.001 0.000 0.197 75 D C 1.688 178.000 176.300 0.020 0.000 0.995 75 D CA 1.635 55.639 54.000 0.006 0.000 0.846 75 D CB -0.299 40.501 40.800 -0.000 0.000 0.941 75 D HN 0.448 nan 8.370 nan 0.000 0.456 76 A N -0.168 122.666 122.820 0.022 0.000 2.067 76 A HA -0.039 4.281 4.320 -0.001 0.000 0.219 76 A C 2.142 179.757 177.584 0.051 0.000 1.158 76 A CA 0.777 52.833 52.037 0.032 0.000 0.661 76 A CB -0.323 18.694 19.000 0.029 0.000 0.801 76 A HN 0.250 nan 8.150 nan 0.000 0.452 77 L N -1.490 119.768 121.223 0.057 0.000 2.638 77 L HA 0.292 4.631 4.340 -0.001 0.000 0.232 77 L C 1.302 178.258 176.870 0.143 0.000 1.099 77 L CA 0.007 54.900 54.840 0.089 0.000 0.883 77 L CB -0.053 42.040 42.059 0.057 0.000 1.136 77 L HN 0.308 nan 8.230 nan 0.000 0.492 78 A N 0.830 123.712 122.820 0.103 0.000 2.425 78 A HA 0.390 4.710 4.320 -0.001 0.000 0.242 78 A C 0.020 177.658 177.584 0.091 0.000 1.077 78 A CA -0.257 51.849 52.037 0.114 0.000 0.781 78 A CB 0.129 19.156 19.000 0.045 0.000 1.020 78 A HN 0.146 nan 8.150 nan 0.000 0.494 79 L N 0.798 122.037 121.223 0.027 0.000 2.436 79 L HA 0.209 4.549 4.340 -0.001 0.000 0.265 79 L C 0.650 177.494 176.870 -0.044 0.000 1.168 79 L CA -0.083 54.713 54.840 -0.074 0.000 0.815 79 L CB 0.763 42.683 42.059 -0.233 0.000 1.109 79 L HN 0.689 nan 8.230 nan 0.000 0.462 80 T N 4.344 118.874 114.554 -0.041 0.000 2.739 80 T HA 0.530 4.880 4.350 -0.001 0.000 0.298 80 T C -0.492 174.180 174.700 -0.047 0.000 0.929 80 T CA -0.069 62.012 62.100 -0.033 0.000 1.014 80 T CB 0.120 68.974 68.868 -0.024 0.000 0.914 80 T HN 0.280 nan 8.240 nan 0.000 0.509 81 L N 3.571 124.767 121.223 -0.045 0.000 2.643 81 L HA 0.414 4.754 4.340 -0.001 0.000 0.256 81 L C -1.769 175.080 176.870 -0.036 0.000 0.931 81 L CA -0.676 54.135 54.840 -0.048 0.000 0.895 81 L CB 2.246 44.264 42.059 -0.069 0.000 1.430 81 L HN 0.343 nan 8.230 nan 0.000 0.419 82 D N 2.388 122.772 120.400 -0.028 0.000 2.365 82 D HA 0.619 5.259 4.640 -0.001 0.000 0.237 82 D C -0.622 175.672 176.300 -0.011 0.000 1.190 82 D CA 0.835 54.825 54.000 -0.016 0.000 0.867 82 D CB 0.650 41.444 40.800 -0.011 0.000 1.050 82 D HN 0.747 nan 8.370 nan 0.000 0.491 83 S N 1.307 116.999 115.700 -0.012 0.000 2.727 83 S HA 0.478 4.948 4.470 -0.001 0.000 0.278 83 S C -1.176 173.418 174.600 -0.009 0.000 1.186 83 S CA -0.939 57.257 58.200 -0.008 0.000 0.836 83 S CB 0.965 64.143 63.200 -0.036 0.000 1.186 83 S HN 0.044 nan 8.310 nan 0.000 0.499 84 V N 1.865 121.765 119.914 -0.023 0.000 2.288 84 V HA 0.499 4.619 4.120 -0.001 0.000 0.266 84 V C 0.299 176.333 176.094 -0.099 0.000 1.048 84 V CA -0.403 61.875 62.300 -0.038 0.000 0.842 84 V CB 0.305 32.115 31.823 -0.021 0.000 1.064 84 V HN 0.778 nan 8.190 nan 0.000 0.472 85 R N 5.418 125.874 120.500 -0.074 0.000 2.229 85 R HA 0.584 4.924 4.340 -0.001 0.000 0.328 85 R C -1.098 175.144 176.300 -0.097 0.000 1.009 85 R CA -0.509 55.537 56.100 -0.089 0.000 0.864 85 R CB 0.711 30.968 30.300 -0.072 0.000 1.085 85 R HN 0.628 nan 8.270 nan 0.000 0.453 86 L N 4.927 126.081 121.223 -0.114 0.000 2.295 86 L HA 0.478 4.818 4.340 -0.001 0.000 0.285 86 L C -0.581 176.116 176.870 -0.289 0.000 1.035 86 L CA -1.114 53.635 54.840 -0.151 0.000 0.806 86 L CB 1.939 43.936 42.059 -0.103 0.000 1.214 86 L HN 0.340 nan 8.230 nan 0.000 0.426 87 V N 3.222 122.863 119.914 -0.456 0.000 2.459 87 V HA 0.463 4.582 4.120 -0.001 0.000 0.295 87 V C -0.607 175.089 176.094 -0.663 0.000 1.029 87 V CA -0.415 61.630 62.300 -0.425 0.000 0.874 87 V CB 1.543 33.201 31.823 -0.276 0.000 0.985 87 V HN 0.368 nan 8.190 nan 0.000 0.438 88 F N 3.411 123.250 119.950 -0.186 0.000 2.507 88 F HA 0.728 5.255 4.527 -0.000 0.000 0.325 88 F C -0.114 175.704 175.800 0.030 0.000 1.116 88 F CA -0.930 57.049 58.000 -0.034 0.000 0.930 88 F CB 2.034 41.019 39.000 -0.026 0.000 1.146 88 F HN 0.149 nan 8.300 nan 0.000 0.447 89 V N 2.320 122.371 119.914 0.229 0.000 2.531 89 V HA 0.303 4.423 4.120 -0.001 0.000 0.301 89 V C -0.806 175.402 176.094 0.189 0.000 1.034 89 V CA -1.208 61.192 62.300 0.167 0.000 0.865 89 V CB 1.618 33.466 31.823 0.042 0.000 0.995 89 V HN 0.778 nan 8.190 nan 0.000 0.424 90 D N 4.124 124.637 120.400 0.189 0.000 2.686 90 D HA -0.184 4.455 4.640 -0.001 0.000 0.235 90 D C 1.265 177.567 176.300 0.003 0.000 1.160 90 D CA 1.839 55.892 54.000 0.089 0.000 0.645 90 D CB -1.067 39.764 40.800 0.051 0.000 1.039 90 D HN 1.502 nan 8.370 nan 0.000 0.423 91 G N -0.388 108.349 108.800 -0.104 0.000 2.176 91 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.253 91 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.253 91 G C 0.206 175.088 174.900 -0.029 0.000 0.979 91 G CA 0.458 45.325 45.100 -0.389 0.000 0.641 91 G HN 0.778 nan 8.290 nan 0.000 0.530 92 R N -1.019 119.611 120.500 0.217 0.000 2.707 92 R HA 0.542 4.882 4.340 -0.001 0.000 0.272 92 R C -0.847 175.656 176.300 0.339 0.000 1.011 92 R CA -1.085 55.179 56.100 0.272 0.000 0.893 92 R CB 0.594 30.972 30.300 0.130 0.000 1.233 92 R HN 0.517 nan 8.270 nan 0.000 0.464 93 Y N 1.953 122.372 120.300 0.199 0.000 2.526 93 Y HA 0.292 4.841 4.550 -0.001 0.000 0.330 93 Y C -0.832 174.974 175.900 -0.158 0.000 1.156 93 Y CA 0.090 58.090 58.100 -0.167 0.000 1.419 93 Y CB 0.828 39.215 38.460 -0.121 0.000 1.250 93 Y HN 0.275 nan 8.280 nan 0.000 0.540 94 V N 10.471 129.846 119.914 -0.899 0.000 2.293 94 V HA 0.188 4.307 4.120 -0.001 0.000 0.275 94 V C -1.782 173.748 176.094 -0.938 0.000 1.021 94 V CA -1.532 60.358 62.300 -0.683 0.000 0.815 94 V CB 1.158 32.759 31.823 -0.370 0.000 1.025 94 V HN 0.741 nan 8.190 nan 0.000 0.448 95 P HA -0.200 nan 4.420 nan 0.000 0.214 95 P C 1.654 178.782 177.300 -0.285 0.000 1.163 95 P CA 1.941 64.756 63.100 -0.476 0.000 0.889 95 P CB 0.269 31.872 31.700 -0.162 0.000 0.790 96 A N -1.416 121.274 122.820 -0.217 0.000 2.131 96 A HA -0.128 4.191 4.320 -0.001 0.000 0.220 96 A C 1.929 179.424 177.584 -0.150 0.000 1.158 96 A CA 1.389 53.340 52.037 -0.144 0.000 0.665 96 A CB -1.385 17.550 19.000 -0.109 0.000 0.795 96 A HN 0.192 nan 8.150 nan 0.000 0.460 97 L N -1.141 119.953 121.223 -0.215 0.000 2.731 97 L HA 0.166 4.506 4.340 -0.001 0.000 0.240 97 L C 0.250 177.005 176.870 -0.191 0.000 1.120 97 L CA -0.229 54.502 54.840 -0.182 0.000 0.913 97 L CB 0.452 42.401 42.059 -0.185 0.000 1.213 97 L HN 0.102 nan 8.230 nan 0.000 0.515 98 S N -0.506 115.055 115.700 -0.233 0.000 2.617 98 S HA 0.283 4.752 4.470 -0.001 0.000 0.283 98 S C -0.457 174.101 174.600 -0.071 0.000 1.189 98 S CA -0.752 57.350 58.200 -0.164 0.000 1.036 98 S CB 1.511 64.616 63.200 -0.157 0.000 1.014 98 S HN 0.020 nan 8.310 nan 0.000 0.522 99 D N 1.664 122.037 120.400 -0.045 0.000 2.357 99 D HA 0.426 5.066 4.640 -0.001 0.000 0.242 99 D C 0.220 176.525 176.300 0.009 0.000 1.153 99 D CA -0.034 53.954 54.000 -0.020 0.000 0.918 99 D CB 0.595 41.383 40.800 -0.020 0.000 1.181 99 D HN 0.596 nan 8.370 nan 0.000 0.435 100 A N 0.429 123.258 122.820 0.014 0.000 2.425 100 A HA 0.354 4.674 4.320 -0.001 0.000 0.249 100 A C 1.072 178.679 177.584 0.039 0.000 1.084 100 A CA -0.144 51.910 52.037 0.028 0.000 0.781 100 A CB 0.144 19.157 19.000 0.022 0.000 1.019 100 A HN 0.607 nan 8.150 nan 0.000 0.490 101 T N -0.661 113.923 114.554 0.049 0.000 3.054 101 T HA 0.208 4.557 4.350 -0.001 0.000 0.255 101 T C 0.151 174.895 174.700 0.072 0.000 1.035 101 T CA -0.003 62.141 62.100 0.073 0.000 0.941 101 T CB -0.241 68.673 68.868 0.076 0.000 1.026 101 T HN 0.629 nan 8.240 nan 0.000 0.533 102 E N 1.708 121.938 120.200 0.049 0.000 2.480 102 E HA 0.427 4.776 4.350 -0.001 0.000 0.258 102 E C 1.339 177.960 176.600 0.035 0.000 0.984 102 E CA 1.158 57.581 56.400 0.038 0.000 0.930 102 E CB -0.164 29.552 29.700 0.028 0.000 0.936 102 E HN 0.463 nan 8.360 nan 0.000 0.466 103 G N 2.711 111.528 108.800 0.028 0.000 2.168 103 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.257 103 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.257 103 G C 1.034 175.945 174.900 0.018 0.000 0.997 103 G CA 0.903 46.013 45.100 0.016 0.000 0.708 103 G HN 0.649 nan 8.290 nan 0.000 0.520 104 S N -1.517 114.210 115.700 0.044 0.000 2.478 104 S HA 0.418 4.888 4.470 -0.001 0.000 0.222 104 S C 2.212 176.786 174.600 -0.043 0.000 1.008 104 S CA 1.450 59.692 58.200 0.070 0.000 0.928 104 S CB 0.337 63.657 63.200 0.200 0.000 0.781 104 S HN 2.314 nan 8.310 nan 0.000 0.518 105 G N -0.344 108.402 108.800 -0.091 0.000 2.218 105 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.216 105 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.216 105 G C -0.233 174.464 174.900 -0.338 0.000 0.994 105 G CA -0.094 44.855 45.100 -0.251 0.000 0.637 105 G HN 0.548 nan 8.290 nan 0.000 0.505 106 Y N 1.635 121.949 120.300 0.024 0.000 2.331 106 Y HA 0.602 5.152 4.550 -0.001 0.000 0.338 106 Y C 0.169 176.086 175.900 0.028 0.000 0.976 106 Y CA -0.956 57.163 58.100 0.031 0.000 1.137 106 Y CB 1.291 39.768 38.460 0.029 0.000 1.172 106 Y HN -0.048 nan 8.280 nan 0.000 0.478 107 E N 3.729 124.028 120.200 0.166 0.000 2.089 107 E HA 0.319 4.669 4.350 -0.001 0.000 0.284 107 E C -0.991 175.684 176.600 0.125 0.000 1.023 107 E CA -0.317 56.151 56.400 0.113 0.000 0.819 107 E CB 1.641 31.391 29.700 0.085 0.000 1.076 107 E HN 0.330 nan 8.360 nan 0.000 0.396 108 V N 2.262 122.230 119.914 0.089 0.000 2.540 108 V HA 0.416 4.536 4.120 -0.001 0.000 0.302 108 V C 0.015 176.127 176.094 0.029 0.000 1.035 108 V CA -0.647 61.686 62.300 0.055 0.000 0.873 108 V CB 1.942 33.761 31.823 -0.008 0.000 0.992 108 V HN 0.545 nan 8.190 nan 0.000 0.428 109 S N 4.911 120.652 115.700 0.069 0.000 2.571 109 S HA 0.784 5.253 4.470 -0.001 0.000 0.284 109 S C -1.231 173.433 174.600 0.107 0.000 1.128 109 S CA -0.433 57.815 58.200 0.081 0.000 0.970 109 S CB 1.092 64.364 63.200 0.119 0.000 1.039 109 S HN 0.465 nan 8.310 nan 0.000 0.485 110 I N 5.515 126.098 120.570 0.021 0.000 2.354 110 I HA 0.523 4.693 4.170 -0.001 0.000 0.286 110 I C -0.291 175.888 176.117 0.103 0.000 1.007 110 I CA -0.187 61.123 61.300 0.016 0.000 1.167 110 I CB 1.110 39.029 38.000 -0.135 0.000 1.320 110 I HN 0.789 nan 8.210 nan 0.000 0.458 111 N N 1.914 120.714 118.700 0.166 0.000 3.046 111 N HA 0.291 5.030 4.740 -0.001 0.000 0.243 111 N C -0.650 174.960 175.510 0.167 0.000 1.452 111 N CA -0.784 52.360 53.050 0.156 0.000 0.882 111 N CB 0.760 39.341 38.487 0.155 0.000 1.425 111 N HN 0.159 nan 8.380 nan 0.000 0.517 112 D N -0.981 119.493 120.400 0.123 0.000 2.395 112 D HA 0.104 4.744 4.640 -0.001 0.000 0.226 112 D C -0.975 175.400 176.300 0.124 0.000 1.146 112 D CA -0.008 54.054 54.000 0.104 0.000 0.830 112 D CB -0.215 40.619 40.800 0.055 0.000 0.958 112 D HN 0.466 nan 8.370 nan 0.000 0.501 113 D N 0.437 120.940 120.400 0.172 0.000 2.325 113 D HA 0.100 4.740 4.640 -0.001 0.000 0.251 113 D C 0.513 176.916 176.300 0.172 0.000 1.196 113 D CA -0.032 54.037 54.000 0.114 0.000 0.866 113 D CB 0.543 41.366 40.800 0.037 0.000 1.101 113 D HN 0.141 nan 8.370 nan 0.000 0.476 114 R N 2.935 123.505 120.500 0.117 0.000 2.543 114 R HA 0.051 4.391 4.340 -0.001 0.000 0.323 114 R C 1.618 177.957 176.300 0.066 0.000 1.002 114 R CA -0.226 55.948 56.100 0.123 0.000 1.106 114 R CB 0.457 30.817 30.300 0.099 0.000 1.280 114 R HN 0.515 nan 8.270 nan 0.000 0.549 115 Q N 0.945 120.767 119.800 0.037 0.000 2.096 115 Q HA -0.162 4.177 4.340 -0.001 0.000 0.208 115 Q C 1.580 177.580 176.000 0.000 0.000 0.993 115 Q CA 2.120 57.930 55.803 0.012 0.000 0.862 115 Q CB -0.142 28.595 28.738 -0.001 0.000 0.915 115 Q HN 0.447 nan 8.270 nan 0.000 0.416 116 G N 0.147 108.941 108.800 -0.010 0.000 2.920 116 G HA2 0.118 4.078 3.960 -0.001 0.000 0.208 116 G HA3 0.118 4.078 3.960 -0.001 0.000 0.208 116 G C 0.296 175.154 174.900 -0.070 0.000 1.159 116 G CA -0.354 44.730 45.100 -0.026 0.000 0.784 116 G HN 0.188 nan 8.290 nan 0.000 0.535 117 L N 2.523 123.702 121.223 -0.073 0.000 2.455 117 L HA 0.215 4.555 4.340 -0.001 0.000 0.272 117 L C -1.354 175.459 176.870 -0.094 0.000 1.174 117 L CA -1.443 53.302 54.840 -0.157 0.000 0.869 117 L CB 0.403 42.416 42.059 -0.076 0.000 1.130 117 L HN 0.071 nan 8.230 nan 0.000 0.474 118 P HA 0.121 nan 4.420 nan 0.000 0.274 118 P C -0.877 176.420 177.300 -0.007 0.000 1.246 118 P CA -0.574 62.507 63.100 -0.032 0.000 0.795 118 P CB 0.830 32.529 31.700 -0.003 0.000 1.006 119 D N -0.405 119.998 120.400 0.005 0.000 2.357 119 D HA 0.238 4.878 4.640 -0.001 0.000 0.242 119 D C 0.320 176.617 176.300 -0.005 0.000 1.153 119 D CA 0.130 54.137 54.000 0.012 0.000 0.918 119 D CB 0.631 41.434 40.800 0.006 0.000 1.181 119 D HN 0.425 nan 8.370 nan 0.000 0.435 120 A N 1.584 124.396 122.820 -0.013 0.000 2.477 120 A HA 0.054 4.374 4.320 -0.001 0.000 0.246 120 A C 1.469 178.986 177.584 -0.112 0.000 1.078 120 A CA -0.367 51.613 52.037 -0.095 0.000 0.770 120 A CB 0.106 19.022 19.000 -0.140 0.000 1.011 120 A HN 0.466 nan 8.150 nan 0.000 0.494 121 I N 0.393 120.881 120.570 -0.137 0.000 2.252 121 I HA -0.081 4.089 4.170 -0.001 0.000 0.245 121 I C 1.378 177.324 176.117 -0.285 0.000 1.102 121 I CA 1.634 62.863 61.300 -0.118 0.000 1.385 121 I CB -0.813 37.154 38.000 -0.056 0.000 1.064 121 I HN 0.782 nan 8.210 nan 0.000 0.414 122 Q N 0.970 120.520 119.800 -0.416 0.000 2.589 122 Q HA 0.503 4.843 4.340 -0.001 0.000 0.245 122 Q C -1.062 174.696 176.000 -0.404 0.000 0.931 122 Q CA -0.377 55.073 55.803 -0.589 0.000 0.730 122 Q CB 1.681 29.809 28.738 -1.016 0.000 1.315 122 Q HN 0.234 nan 8.270 nan 0.000 0.469 123 A N 3.562 126.210 122.820 -0.288 0.000 2.440 123 A HA 0.462 4.782 4.320 -0.001 0.000 0.251 123 A C -0.403 177.068 177.584 -0.189 0.000 1.089 123 A CA 0.200 52.073 52.037 -0.273 0.000 0.779 123 A CB 0.307 19.275 19.000 -0.054 0.000 1.022 123 A HN 0.816 nan 8.150 nan 0.000 0.492 124 E N 0.760 120.789 120.200 -0.285 0.000 2.407 124 E HA 0.378 4.728 4.350 -0.001 0.000 0.279 124 E C 0.137 176.722 176.600 -0.025 0.000 1.012 124 E CA -0.305 56.084 56.400 -0.017 0.000 0.800 124 E CB 0.778 30.563 29.700 0.142 0.000 1.276 124 E HN 0.712 nan 8.360 nan 0.000 0.452 125 V N 0.842 120.822 119.914 0.110 0.000 2.236 125 V HA -0.325 3.795 4.120 -0.001 0.000 0.255 125 V C 1.271 177.255 176.094 -0.183 0.000 1.068 125 V CA 2.399 64.678 62.300 -0.036 0.000 1.044 125 V CB -0.571 31.110 31.823 -0.235 0.000 0.653 125 V HN 0.750 nan 8.190 nan 0.000 0.448 126 F N -0.670 119.358 119.950 0.130 0.000 2.407 126 F HA 0.030 4.557 4.527 -0.001 0.000 0.299 126 F C 2.059 177.864 175.800 0.009 0.000 1.097 126 F CA 1.534 59.590 58.000 0.093 0.000 1.422 126 F CB -0.313 38.862 39.000 0.291 0.000 1.067 126 F HN 0.217 nan 8.300 nan 0.000 0.539 127 L N -0.670 120.601 121.223 0.080 0.000 2.056 127 L HA -0.215 4.124 4.340 -0.001 0.000 0.207 127 L C 2.654 179.383 176.870 -0.235 0.000 1.078 127 L CA 1.580 56.345 54.840 -0.124 0.000 0.749 127 L CB -0.476 41.375 42.059 -0.346 0.000 0.901 127 L HN 0.124 nan 8.230 nan 0.000 0.433 128 H N -0.403 118.606 119.070 -0.102 0.000 2.357 128 H HA -0.157 4.399 4.556 -0.001 0.000 0.301 128 H C 2.136 177.343 175.328 -0.202 0.000 1.082 128 H CA 1.788 57.771 56.048 -0.109 0.000 1.342 128 H CB -0.270 29.468 29.762 -0.039 0.000 1.389 128 H HN 0.337 nan 8.280 nan 0.000 0.511 129 L N 0.686 121.820 121.223 -0.148 0.000 1.989 129 L HA -0.151 4.188 4.340 -0.001 0.000 0.211 129 L C 2.272 178.880 176.870 -0.436 0.000 1.071 129 L CA 1.908 56.532 54.840 -0.359 0.000 0.749 129 L CB -0.971 40.749 42.059 -0.564 0.000 0.890 129 L HN 0.108 nan 8.230 nan 0.000 0.431 130 T N -0.385 113.987 114.554 -0.302 0.000 2.708 130 T HA -0.150 4.199 4.350 -0.001 0.000 0.266 130 T C 1.730 176.312 174.700 -0.196 0.000 1.037 130 T CA 1.516 63.489 62.100 -0.211 0.000 1.146 130 T CB -0.227 68.640 68.868 -0.002 0.000 0.865 130 T HN 0.400 nan 8.240 nan 0.000 0.435 131 E N 1.366 121.424 120.200 -0.237 0.000 2.085 131 E HA -0.117 4.232 4.350 -0.001 0.000 0.194 131 E C 2.640 179.175 176.600 -0.108 0.000 0.994 131 E CA 1.541 57.778 56.400 -0.271 0.000 0.801 131 E CB -0.410 28.848 29.700 -0.736 0.000 0.743 131 E HN 0.634 nan 8.360 nan 0.000 0.453 132 S N 0.111 115.771 115.700 -0.066 0.000 2.436 132 S HA -0.003 4.467 4.470 -0.001 0.000 0.228 132 S C 2.029 176.732 174.600 0.172 0.000 1.014 132 S CA 0.448 58.714 58.200 0.110 0.000 0.950 132 S CB -0.150 63.050 63.200 0.001 0.000 0.784 132 S HN 0.163 nan 8.310 nan 0.000 0.504 133 L N 0.983 122.170 121.223 -0.060 0.000 2.463 133 L HA 0.411 4.750 4.340 -0.001 0.000 0.219 133 L C 1.412 178.237 176.870 -0.074 0.000 1.088 133 L CA 0.093 54.879 54.840 -0.090 0.000 0.849 133 L CB -0.546 41.318 42.059 -0.325 0.000 1.012 133 L HN 0.335 nan 8.230 nan 0.000 0.468 134 A N 0.563 123.339 122.820 -0.074 0.000 2.566 134 A HA -0.140 4.180 4.320 -0.001 0.000 0.245 134 A C 1.338 178.895 177.584 -0.046 0.000 1.056 134 A CA 0.292 52.290 52.037 -0.064 0.000 0.757 134 A CB 0.275 19.233 19.000 -0.070 0.000 0.979 134 A HN 0.428 nan 8.150 nan 0.000 0.508 135 Q N 1.759 121.533 119.800 -0.042 0.000 2.079 135 Q HA -0.081 4.259 4.340 -0.001 0.000 0.200 135 Q C 0.825 176.827 176.000 0.005 0.000 0.974 135 Q CA 1.636 57.427 55.803 -0.020 0.000 0.840 135 Q CB -0.015 28.723 28.738 -0.001 0.000 0.898 135 Q HN 1.042 nan 8.270 nan 0.000 0.430 136 S N -2.222 113.490 115.700 0.020 0.000 2.790 136 S HA 0.636 5.105 4.470 -0.001 0.000 0.292 136 S C -1.023 173.577 174.600 -0.000 0.000 1.197 136 S CA -0.985 57.235 58.200 0.033 0.000 0.851 136 S CB 1.871 65.115 63.200 0.075 0.000 1.217 136 S HN -0.022 nan 8.310 nan 0.000 0.526 137 V N 1.239 121.129 119.914 -0.039 0.000 2.588 137 V HA 0.556 4.676 4.120 -0.001 0.000 0.304 137 V C -0.505 175.446 176.094 -0.238 0.000 1.042 137 V CA -0.575 61.624 62.300 -0.169 0.000 0.877 137 V CB 1.890 33.536 31.823 -0.295 0.000 0.996 137 V HN 0.998 nan 8.190 nan 0.000 0.425 138 T N 4.347 118.858 114.554 -0.071 0.000 2.739 138 T HA 0.293 4.642 4.350 -0.001 0.000 0.298 138 T C -0.137 174.530 174.700 -0.056 0.000 0.929 138 T CA -0.169 61.948 62.100 0.028 0.000 1.014 138 T CB -0.475 68.563 68.868 0.284 0.000 0.914 138 T HN 0.536 nan 8.240 nan 0.000 0.509 139 H N 4.392 123.540 119.070 0.131 0.000 2.846 139 H HA 0.268 4.824 4.556 -0.001 0.000 0.278 139 H C 0.015 175.418 175.328 0.126 0.000 1.117 139 H CA -0.496 55.644 56.048 0.153 0.000 1.406 139 H CB 0.401 30.234 29.762 0.118 0.000 1.445 139 H HN 0.377 nan 8.280 nan 0.000 0.469 140 I N 2.120 122.833 120.570 0.239 0.000 2.493 140 I HA 0.553 4.723 4.170 -0.001 0.000 0.298 140 I C 0.352 176.588 176.117 0.198 0.000 0.998 140 I CA -0.811 60.603 61.300 0.191 0.000 1.137 140 I CB 1.551 39.648 38.000 0.163 0.000 1.310 140 I HN 0.514 nan 8.210 nan 0.000 0.445 141 A N 5.388 128.321 122.820 0.189 0.000 2.520 141 A HA 0.775 5.095 4.320 -0.001 0.000 0.298 141 A C -1.494 176.170 177.584 0.134 0.000 1.051 141 A CA -0.501 51.627 52.037 0.153 0.000 0.690 141 A CB 1.865 20.942 19.000 0.129 0.000 1.281 141 A HN 0.348 nan 8.150 nan 0.000 0.402 142 V N 3.063 123.034 119.914 0.096 0.000 2.407 142 V HA 0.323 4.443 4.120 -0.001 0.000 0.291 142 V C -0.420 175.687 176.094 0.022 0.000 1.018 142 V CA -0.901 61.416 62.300 0.028 0.000 0.842 142 V CB 1.414 33.243 31.823 0.009 0.000 0.996 142 V HN 0.953 nan 8.190 nan 0.000 0.426 143 K N 3.678 124.080 120.400 0.003 0.000 2.440 143 K HA 0.131 4.451 4.320 -0.001 0.000 0.270 143 K C 0.560 177.165 176.600 0.007 0.000 0.980 143 K CA -0.247 56.045 56.287 0.008 0.000 0.953 143 K CB 0.156 32.655 32.500 -0.002 0.000 0.925 143 K HN 0.830 nan 8.250 nan 0.000 0.497 144 R N 0.605 121.115 120.500 0.016 0.000 2.583 144 R HA 0.121 4.460 4.340 -0.001 0.000 0.274 144 R C 0.840 177.145 176.300 0.009 0.000 0.998 144 R CA 0.619 56.731 56.100 0.019 0.000 1.081 144 R CB -0.448 29.865 30.300 0.021 0.000 0.940 144 R HN 0.799 nan 8.270 nan 0.000 0.413 145 G N 1.063 109.871 108.800 0.013 0.000 2.302 145 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.263 145 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.263 145 G C -0.054 174.837 174.900 -0.015 0.000 0.995 145 G CA 0.520 45.622 45.100 0.002 0.000 0.622 145 G HN 0.663 nan 8.290 nan 0.000 0.538 146 Q N 0.022 119.808 119.800 -0.023 0.000 2.352 146 Q HA 0.460 4.800 4.340 -0.001 0.000 0.260 146 Q C 0.601 176.562 176.000 -0.064 0.000 0.976 146 Q CA 0.099 55.873 55.803 -0.049 0.000 0.881 146 Q CB 1.020 29.718 28.738 -0.067 0.000 1.235 146 Q HN 0.611 nan 8.270 nan 0.000 0.419 147 R N 3.069 123.523 120.500 -0.077 0.000 2.547 147 R HA 0.334 4.674 4.340 -0.001 0.000 0.280 147 R C -2.368 173.867 176.300 -0.107 0.000 1.630 147 R CA -1.581 54.472 56.100 -0.079 0.000 1.470 147 R CB 0.510 30.776 30.300 -0.056 0.000 1.178 147 R HN 0.339 nan 8.270 nan 0.000 0.591 148 P HA -0.096 nan 4.420 nan 0.000 0.263 148 P C 0.204 177.457 177.300 -0.079 0.000 1.168 148 P CA 0.373 63.327 63.100 -0.244 0.000 0.759 148 P CB 0.956 32.276 31.700 -0.634 0.000 0.782 149 A N 3.972 126.768 122.820 -0.040 0.000 1.969 149 A HA -0.105 4.215 4.320 -0.001 0.000 0.218 149 A C 0.732 178.339 177.584 0.037 0.000 1.169 149 A CA 1.400 53.436 52.037 -0.001 0.000 0.635 149 A CB -0.280 18.719 19.000 -0.001 0.000 0.810 149 A HN 0.545 nan 8.150 nan 0.000 0.445 150 K N -0.277 120.178 120.400 0.091 0.000 2.328 150 K HA 0.449 4.769 4.320 -0.001 0.000 0.246 150 K C -2.993 173.735 176.600 0.213 0.000 0.955 150 K CA -2.359 54.000 56.287 0.120 0.000 0.817 150 K CB 1.919 34.481 32.500 0.103 0.000 1.208 150 K HN 0.007 nan 8.250 nan 0.000 0.432 151 P HA 0.082 nan 4.420 nan 0.000 0.278 151 P C -0.986 176.324 177.300 0.017 0.000 1.238 151 P CA -0.595 62.581 63.100 0.127 0.000 0.794 151 P CB 0.714 32.445 31.700 0.051 0.000 0.955 152 L N 3.679 124.822 121.223 -0.133 0.000 2.290 152 L HA 0.381 4.721 4.340 -0.001 0.000 0.284 152 L C -0.675 176.072 176.870 -0.204 0.000 1.078 152 L CA -0.507 54.080 54.840 -0.422 0.000 0.815 152 L CB 0.248 41.810 42.059 -0.829 0.000 1.162 152 L HN 0.229 nan 8.230 nan 0.000 0.435 153 L N 6.424 127.538 121.223 -0.182 0.000 2.325 153 L HA 0.556 4.895 4.340 -0.001 0.000 0.281 153 L C -1.443 175.337 176.870 -0.149 0.000 1.004 153 L CA -0.249 54.511 54.840 -0.133 0.000 0.823 153 L CB 1.417 43.415 42.059 -0.101 0.000 1.236 153 L HN 0.544 nan 8.230 nan 0.000 0.415 154 L N 6.242 127.359 121.223 -0.178 0.000 2.301 154 L HA 0.500 4.840 4.340 -0.001 0.000 0.278 154 L C -0.162 176.522 176.870 -0.310 0.000 1.022 154 L CA -0.202 54.489 54.840 -0.247 0.000 0.854 154 L CB 1.257 42.996 42.059 -0.533 0.000 1.226 154 L HN 0.690 nan 8.230 nan 0.000 0.429 155 M N 3.682 123.150 119.600 -0.221 0.000 2.113 155 M HA 0.373 4.853 4.480 -0.001 0.000 0.352 155 M C -1.205 174.892 176.300 -0.338 0.000 1.170 155 M CA -0.319 54.863 55.300 -0.197 0.000 1.053 155 M CB 0.593 33.153 32.600 -0.066 0.000 1.601 155 M HN 0.494 nan 8.290 nan 0.000 0.459 156 H N 4.965 123.775 119.070 -0.434 0.000 2.476 156 H HA 0.527 5.083 4.556 -0.000 0.000 0.328 156 H C -1.285 173.893 175.328 -0.250 0.000 1.073 156 H CA -0.428 55.340 56.048 -0.466 0.000 1.229 156 H CB 0.923 30.056 29.762 -1.049 0.000 1.432 156 H HN 0.578 nan 8.280 nan 0.000 0.477 157 I N 2.928 123.506 120.570 0.014 0.000 2.411 157 I HA 0.277 4.447 4.170 -0.001 0.000 0.284 157 I C -0.216 175.945 176.117 0.073 0.000 1.012 157 I CA -0.183 61.131 61.300 0.024 0.000 1.119 157 I CB 1.593 39.595 38.000 0.003 0.000 1.261 157 I HN 0.569 nan 8.210 nan 0.000 0.448 158 T N 5.853 120.408 114.554 0.001 0.000 2.856 158 T HA 0.680 5.030 4.350 -0.001 0.000 0.283 158 T C -0.606 173.936 174.700 -0.263 0.000 1.008 158 T CA -0.829 61.191 62.100 -0.134 0.000 0.997 158 T CB 1.728 70.416 68.868 -0.301 0.000 0.992 158 T HN 0.623 nan 8.240 nan 0.000 0.454 159 Q N 0.922 120.643 119.800 -0.131 0.000 2.413 159 Q HA 0.777 5.117 4.340 -0.001 0.000 0.276 159 Q C -0.380 175.686 176.000 0.111 0.000 1.099 159 Q CA -1.304 54.507 55.803 0.014 0.000 0.814 159 Q CB 1.892 30.661 28.738 0.052 0.000 1.379 159 Q HN 0.722 nan 8.270 nan 0.000 0.436 160 G N 0.528 109.463 108.800 0.226 0.000 2.488 160 G HA2 0.558 4.518 3.960 -0.001 0.000 0.318 160 G HA3 0.558 4.518 3.960 -0.001 0.000 0.318 160 G C -0.246 174.744 174.900 0.149 0.000 1.188 160 G CA -0.413 44.828 45.100 0.235 0.000 0.944 160 G HN 0.752 nan 8.290 nan 0.000 0.495 161 V N -2.000 117.991 119.914 0.129 0.000 2.966 161 V HA 0.861 4.981 4.120 -0.001 0.000 0.317 161 V C 0.738 176.879 176.094 0.079 0.000 1.070 161 V CA -0.748 61.608 62.300 0.094 0.000 1.008 161 V CB 1.023 32.897 31.823 0.085 0.000 1.070 161 V HN 1.234 nan 8.190 nan 0.000 0.457 162 A N 1.288 124.145 122.820 0.062 0.000 2.425 162 A HA 0.735 5.055 4.320 -0.001 0.000 0.242 162 A C 1.050 178.659 177.584 0.042 0.000 1.077 162 A CA 0.691 52.758 52.037 0.050 0.000 0.781 162 A CB -0.487 18.537 19.000 0.041 0.000 1.020 162 A HN 2.911 nan 8.150 nan 0.000 0.494 163 G N 0.470 109.290 108.800 0.034 0.000 2.512 163 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.210 163 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.210 163 G C 0.167 175.078 174.900 0.019 0.000 1.295 163 G CA 0.222 45.336 45.100 0.023 0.000 0.934 163 G HN 0.681 nan 8.290 nan 0.000 0.554 164 E N 1.075 121.278 120.200 0.005 0.000 2.400 164 E HA 0.126 4.476 4.350 -0.001 0.000 0.195 164 E C 1.101 177.684 176.600 -0.027 0.000 1.012 164 E CA 0.541 56.934 56.400 -0.012 0.000 0.875 164 E CB 0.077 29.762 29.700 -0.026 0.000 0.859 164 E HN 0.677 nan 8.360 nan 0.000 0.498 165 E N 0.828 121.022 120.200 -0.010 0.000 2.415 165 E HA 0.127 4.476 4.350 -0.001 0.000 0.262 165 E C -0.488 176.122 176.600 0.017 0.000 1.038 165 E CA 0.042 56.435 56.400 -0.012 0.000 0.921 165 E CB 1.320 31.038 29.700 0.029 0.000 0.950 165 E HN -0.213 nan 8.360 nan 0.000 0.438 166 V N 3.551 123.465 119.914 -0.000 0.000 2.313 166 V HA 0.093 4.213 4.120 -0.001 0.000 0.278 166 V C -0.055 176.211 176.094 0.287 0.000 1.017 166 V CA -0.868 61.496 62.300 0.107 0.000 0.823 166 V CB 0.946 32.762 31.823 -0.011 0.000 1.010 166 V HN 0.567 nan 8.190 nan 0.000 0.443 167 N N 3.030 121.896 118.700 0.277 0.000 2.492 167 N HA 0.162 4.902 4.740 -0.001 0.000 0.262 167 N C -0.226 175.495 175.510 0.352 0.000 1.202 167 N CA 0.602 53.822 53.050 0.283 0.000 0.926 167 N CB 1.172 39.781 38.487 0.204 0.000 1.078 167 N HN 0.703 nan 8.380 nan 0.000 0.454 168 T N 1.536 116.273 114.554 0.305 0.000 2.841 168 T HA 0.789 5.139 4.350 -0.001 0.000 0.283 168 T C -1.446 173.233 174.700 -0.035 0.000 1.000 168 T CA -0.614 61.595 62.100 0.182 0.000 0.977 168 T CB 0.517 69.561 68.868 0.293 0.000 0.979 168 T HN 0.560 nan 8.240 nan 0.000 0.446 169 A N 4.167 126.810 122.820 -0.296 0.000 2.374 169 A HA 0.712 5.031 4.320 -0.001 0.000 0.305 169 A C -1.175 175.904 177.584 -0.842 0.000 1.053 169 A CA -0.676 51.107 52.037 -0.422 0.000 0.726 169 A CB 1.076 19.877 19.000 -0.331 0.000 1.229 169 A HN 0.927 nan 8.150 nan 0.000 0.431 170 H N 1.595 120.331 119.070 -0.555 0.000 2.589 170 H HA 0.403 4.959 4.556 -0.001 0.000 0.335 170 H C -1.516 173.499 175.328 -0.521 0.000 1.019 170 H CA 0.100 55.866 56.048 -0.470 0.000 1.213 170 H CB 1.332 30.883 29.762 -0.351 0.000 1.472 170 H HN 0.666 nan 8.280 nan 0.000 0.508 171 Y N 1.579 121.824 120.300 -0.092 0.000 2.387 171 Y HA 0.439 4.989 4.550 -0.001 0.000 0.336 171 Y C 0.544 176.243 175.900 -0.335 0.000 1.067 171 Y CA -0.857 57.120 58.100 -0.205 0.000 1.114 171 Y CB 1.572 39.941 38.460 -0.153 0.000 1.208 171 Y HN 0.425 nan 8.280 nan 0.000 0.458 172 R N 2.404 122.682 120.500 -0.370 0.000 2.515 172 R HA 0.452 4.792 4.340 -0.001 0.000 0.291 172 R C -2.007 174.024 176.300 -0.449 0.000 1.046 172 R CA -0.490 55.420 56.100 -0.317 0.000 0.914 172 R CB 0.517 30.735 30.300 -0.137 0.000 1.191 172 R HN 0.736 nan 8.270 nan 0.000 0.435 173 H N 2.090 121.172 119.070 0.021 0.000 2.895 173 H HA 0.379 4.935 4.556 -0.001 0.000 0.373 173 H C -1.081 174.418 175.328 0.285 0.000 1.174 173 H CA -0.732 55.307 56.048 -0.016 0.000 1.144 173 H CB 2.102 31.633 29.762 -0.384 0.000 1.793 173 H HN 0.664 nan 8.280 nan 0.000 0.551 174 H N 1.215 120.474 119.070 0.315 0.000 2.840 174 H HA 0.393 4.949 4.556 -0.001 0.000 0.340 174 H C -1.676 173.869 175.328 0.361 0.000 1.004 174 H CA -0.742 55.508 56.048 0.337 0.000 1.288 174 H CB 1.078 30.961 29.762 0.202 0.000 1.607 174 H HN 0.399 nan 8.280 nan 0.000 0.522 175 L N 4.266 125.358 121.223 -0.220 0.000 2.329 175 L HA 0.489 4.829 4.340 -0.001 0.000 0.279 175 L C -1.137 175.560 176.870 -0.288 0.000 1.014 175 L CA -0.246 54.550 54.840 -0.072 0.000 0.814 175 L CB 1.722 43.879 42.059 0.162 0.000 1.257 175 L HN 0.747 nan 8.230 nan 0.000 0.424 176 D N 5.301 125.675 120.400 -0.042 0.000 2.471 176 D HA 0.300 4.940 4.640 -0.001 0.000 0.245 176 D C -1.287 175.053 176.300 0.066 0.000 1.116 176 D CA -0.269 53.748 54.000 0.028 0.000 0.853 176 D CB 1.402 42.287 40.800 0.142 0.000 1.123 176 D HN 0.575 nan 8.370 nan 0.000 0.540 177 L N 3.194 124.449 121.223 0.053 0.000 2.264 177 L HA 0.468 4.807 4.340 -0.001 0.000 0.287 177 L C 0.962 177.869 176.870 0.061 0.000 1.039 177 L CA -0.650 54.230 54.840 0.066 0.000 0.829 177 L CB 1.341 43.442 42.059 0.070 0.000 1.211 177 L HN 0.347 nan 8.230 nan 0.000 0.427 178 A N 3.317 126.173 122.820 0.059 0.000 2.366 178 A HA 0.103 4.423 4.320 -0.001 0.000 0.250 178 A C 0.407 178.022 177.584 0.052 0.000 1.099 178 A CA -0.308 51.760 52.037 0.052 0.000 0.794 178 A CB 0.225 19.252 19.000 0.044 0.000 1.056 178 A HN 0.783 nan 8.150 nan 0.000 0.499 179 E N -0.382 119.846 120.200 0.046 0.000 2.608 179 E HA 0.236 4.585 4.350 -0.001 0.000 0.259 179 E C 1.237 177.870 176.600 0.054 0.000 0.951 179 E CA 1.028 57.457 56.400 0.048 0.000 0.945 179 E CB -0.174 29.549 29.700 0.038 0.000 0.916 179 E HN 1.558 nan 8.360 nan 0.000 0.477 180 G N 2.477 111.324 108.800 0.077 0.000 2.189 180 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.267 180 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.267 180 G C 0.315 175.259 174.900 0.073 0.000 0.975 180 G CA 0.276 45.426 45.100 0.082 0.000 0.644 180 G HN 0.897 nan 8.290 nan 0.000 0.537 181 A N -0.219 122.646 122.820 0.075 0.000 2.351 181 A HA 0.664 4.984 4.320 -0.001 0.000 0.257 181 A C 0.281 177.919 177.584 0.090 0.000 1.087 181 A CA 0.307 52.377 52.037 0.055 0.000 0.798 181 A CB 0.424 19.452 19.000 0.046 0.000 1.033 181 A HN 0.505 nan 8.150 nan 0.000 0.488 182 E N -0.112 120.118 120.200 0.050 0.000 2.260 182 E HA 0.575 4.924 4.350 -0.001 0.000 0.266 182 E C -0.922 175.716 176.600 0.064 0.000 0.887 182 E CA -0.433 56.009 56.400 0.071 0.000 0.777 182 E CB 2.060 31.757 29.700 -0.005 0.000 1.205 182 E HN 0.910 nan 8.360 nan 0.000 0.414 183 A N 2.189 125.081 122.820 0.120 0.000 2.594 183 A HA 0.694 5.013 4.320 -0.001 0.000 0.295 183 A C -0.868 176.830 177.584 0.190 0.000 1.071 183 A CA -0.651 51.483 52.037 0.161 0.000 0.685 183 A CB 2.112 21.247 19.000 0.225 0.000 1.285 183 A HN 0.372 nan 8.150 nan 0.000 0.405 184 T N 0.963 115.638 114.554 0.201 0.000 2.797 184 T HA 0.588 4.938 4.350 -0.001 0.000 0.279 184 T C -1.040 173.765 174.700 0.174 0.000 0.991 184 T CA -0.343 61.858 62.100 0.169 0.000 0.979 184 T CB 1.278 70.214 68.868 0.113 0.000 0.943 184 T HN 1.299 nan 8.240 nan 0.000 0.444 185 V N 5.031 125.052 119.914 0.178 0.000 2.656 185 V HA 0.720 4.840 4.120 -0.001 0.000 0.307 185 V C -1.593 174.571 176.094 0.117 0.000 1.051 185 V CA -0.878 61.520 62.300 0.163 0.000 0.893 185 V CB 1.404 33.420 31.823 0.322 0.000 0.999 185 V HN 0.760 nan 8.190 nan 0.000 0.426 186 I N 5.597 126.186 120.570 0.031 0.000 2.433 186 I HA 0.522 4.692 4.170 -0.001 0.000 0.292 186 I C -0.023 176.082 176.117 -0.019 0.000 1.001 186 I CA -0.139 61.147 61.300 -0.024 0.000 1.119 186 I CB 1.926 39.884 38.000 -0.070 0.000 1.289 186 I HN 0.586 nan 8.210 nan 0.000 0.438 187 E N 4.557 124.767 120.200 0.018 0.000 2.133 187 E HA 0.306 4.656 4.350 -0.001 0.000 0.274 187 E C -0.986 175.630 176.600 0.027 0.000 0.930 187 E CA -0.501 55.931 56.400 0.052 0.000 0.770 187 E CB 1.501 31.379 29.700 0.297 0.000 1.104 187 E HN 0.549 nan 8.360 nan 0.000 0.403 188 H N 3.965 122.898 119.070 -0.228 0.000 2.547 188 H HA 0.330 4.886 4.556 -0.001 0.000 0.342 188 H C -1.384 173.757 175.328 -0.312 0.000 1.048 188 H CA -0.865 55.042 56.048 -0.235 0.000 1.204 188 H CB 0.672 30.311 29.762 -0.206 0.000 1.493 188 H HN 0.389 nan 8.280 nan 0.000 0.511 189 F N 5.230 125.062 119.950 -0.197 0.000 2.449 189 F HA 0.334 4.861 4.527 -0.000 0.000 0.342 189 F C -0.231 175.453 175.800 -0.193 0.000 1.127 189 F CA -0.679 57.220 58.000 -0.169 0.000 0.975 189 F CB 1.707 40.676 39.000 -0.052 0.000 1.146 189 F HN 0.290 nan 8.300 nan 0.000 0.444 190 V N -0.871 119.023 119.914 -0.033 0.000 3.102 190 V HA 0.770 4.890 4.120 -0.001 0.000 0.312 190 V C -0.514 175.657 176.094 0.129 0.000 1.135 190 V CA -0.869 61.451 62.300 0.034 0.000 1.022 190 V CB 1.791 33.559 31.823 -0.092 0.000 1.056 190 V HN 0.558 nan 8.190 nan 0.000 0.436 191 S N 1.504 117.318 115.700 0.189 0.000 2.489 191 S HA 0.514 4.984 4.470 -0.001 0.000 0.291 191 S C 0.586 175.267 174.600 0.135 0.000 1.151 191 S CA -0.389 57.952 58.200 0.236 0.000 1.082 191 S CB 1.449 64.878 63.200 0.381 0.000 1.019 191 S HN 0.980 nan 8.310 nan 0.000 0.492 192 L N 3.370 124.651 121.223 0.096 0.000 2.083 192 L HA -0.034 4.306 4.340 -0.001 0.000 0.209 192 L C 0.529 177.452 176.870 0.089 0.000 1.083 192 L CA 2.021 56.905 54.840 0.074 0.000 0.752 192 L CB -0.554 41.539 42.059 0.057 0.000 0.899 192 L HN 0.900 nan 8.230 nan 0.000 0.433 193 N N -4.501 114.269 118.700 0.117 0.000 3.587 193 N HA 0.146 4.886 4.740 -0.001 0.000 0.339 193 N C 0.023 175.607 175.510 0.123 0.000 1.636 193 N CA -0.135 52.978 53.050 0.104 0.000 0.788 193 N CB -0.366 38.172 38.487 0.085 0.000 2.205 193 N HN -0.227 nan 8.380 nan 0.000 0.600 194 D N -0.444 120.014 120.400 0.098 0.000 2.323 194 D HA 0.140 4.780 4.640 -0.001 0.000 0.209 194 D C 0.202 176.563 176.300 0.101 0.000 0.973 194 D CA 0.503 54.557 54.000 0.090 0.000 0.874 194 D CB -0.246 40.593 40.800 0.065 0.000 0.930 194 D HN 0.658 nan 8.370 nan 0.000 0.521 195 A N 1.853 124.746 122.820 0.121 0.000 2.511 195 A HA 0.160 4.480 4.320 -0.001 0.000 0.242 195 A C 0.741 178.427 177.584 0.170 0.000 1.069 195 A CA -0.257 51.858 52.037 0.130 0.000 0.763 195 A CB 0.076 19.155 19.000 0.132 0.000 1.001 195 A HN 0.197 nan 8.150 nan 0.000 0.498 196 R N 1.927 122.500 120.500 0.123 0.000 2.582 196 R HA 0.591 4.930 4.340 -0.001 0.000 0.271 196 R C -0.404 176.003 176.300 0.178 0.000 1.078 196 R CA -0.099 56.047 56.100 0.078 0.000 1.127 196 R CB 0.412 30.755 30.300 0.071 0.000 1.038 196 R HN 0.985 nan 8.270 nan 0.000 0.500 197 H N -0.886 118.330 119.070 0.244 0.000 2.990 197 H HA 0.461 5.017 4.556 -0.000 0.000 0.343 197 H C -1.853 173.728 175.328 0.423 0.000 1.270 197 H CA -1.226 54.995 56.048 0.289 0.000 1.118 197 H CB 0.987 30.887 29.762 0.231 0.000 1.861 197 H HN 0.547 nan 8.280 nan 0.000 0.544 198 F N 1.834 122.023 119.950 0.399 0.000 2.347 198 F HA 0.537 5.064 4.527 -0.000 0.000 0.366 198 F C -0.959 174.970 175.800 0.216 0.000 1.107 198 F CA -0.772 57.428 58.000 0.333 0.000 1.058 198 F CB 1.240 40.461 39.000 0.367 0.000 1.236 198 F HN 0.696 nan 8.300 nan 0.000 0.456 199 T N 4.812 119.520 114.554 0.257 0.000 2.799 199 T HA 0.682 5.032 4.350 -0.001 0.000 0.286 199 T C 0.108 174.514 174.700 -0.491 0.000 0.973 199 T CA -0.484 61.549 62.100 -0.112 0.000 1.035 199 T CB 1.184 70.175 68.868 0.205 0.000 0.932 199 T HN 0.851 nan 8.240 nan 0.000 0.469 200 G N 0.962 109.300 108.800 -0.771 0.000 2.513 200 G HA2 0.727 4.686 3.960 -0.001 0.000 0.317 200 G HA3 0.727 4.686 3.960 -0.001 0.000 0.317 200 G C -1.278 173.507 174.900 -0.192 0.000 1.277 200 G CA -0.738 44.061 45.100 -0.502 0.000 0.955 200 G HN 0.960 nan 8.290 nan 0.000 0.484 201 A N 1.929 124.687 122.820 -0.103 0.000 2.539 201 A HA 0.952 5.272 4.320 -0.001 0.000 0.296 201 A C -0.583 177.053 177.584 0.087 0.000 1.073 201 A CA -0.943 51.119 52.037 0.042 0.000 0.700 201 A CB 2.098 21.122 19.000 0.040 0.000 1.296 201 A HN 0.975 nan 8.150 nan 0.000 0.405 202 R N 1.128 121.699 120.500 0.119 0.000 2.659 202 R HA 0.441 4.780 4.340 -0.001 0.000 0.290 202 R C -2.411 174.038 176.300 0.248 0.000 1.253 202 R CA -0.330 55.857 56.100 0.145 0.000 1.010 202 R CB 0.798 31.122 30.300 0.040 0.000 1.236 202 R HN 0.667 nan 8.270 nan 0.000 0.413 203 F N 4.624 124.658 119.950 0.139 0.000 2.375 203 F HA 0.463 4.989 4.527 -0.000 0.000 0.361 203 F C -0.658 175.208 175.800 0.110 0.000 1.117 203 F CA -0.829 57.275 58.000 0.173 0.000 1.037 203 F CB 1.572 40.727 39.000 0.259 0.000 1.192 203 F HN 0.498 nan 8.300 nan 0.000 0.452 204 T N 5.248 119.991 114.554 0.315 0.000 2.794 204 T HA 0.805 5.154 4.350 -0.001 0.000 0.280 204 T C -0.380 174.248 174.700 -0.120 0.000 0.987 204 T CA -0.617 61.550 62.100 0.112 0.000 0.993 204 T CB 1.497 70.541 68.868 0.293 0.000 0.939 204 T HN 0.433 nan 8.240 nan 0.000 0.449 205 I N 2.710 123.131 120.570 -0.248 0.000 2.498 205 I HA 0.418 4.587 4.170 -0.001 0.000 0.290 205 I C -0.524 175.515 176.117 -0.129 0.000 1.032 205 I CA -0.978 60.123 61.300 -0.331 0.000 1.073 205 I CB 2.139 39.884 38.000 -0.426 0.000 1.251 205 I HN 0.638 nan 8.210 nan 0.000 0.426 206 N N 5.242 123.887 118.700 -0.093 0.000 2.444 206 N HA 0.451 5.191 4.740 -0.001 0.000 0.262 206 N C -1.345 174.170 175.510 0.008 0.000 0.974 206 N CA -0.368 52.699 53.050 0.028 0.000 0.933 206 N CB 1.427 40.000 38.487 0.143 0.000 1.137 206 N HN 0.294 nan 8.380 nan 0.000 0.498 207 V N 2.899 122.815 119.914 0.004 0.000 2.333 207 V HA 0.653 4.772 4.120 -0.001 0.000 0.274 207 V C 0.717 176.822 176.094 0.018 0.000 1.028 207 V CA -0.847 61.458 62.300 0.009 0.000 0.851 207 V CB 0.436 32.254 31.823 -0.008 0.000 1.000 207 V HN 0.828 nan 8.190 nan 0.000 0.456 208 A N 4.286 127.126 122.820 0.032 0.000 2.280 208 A HA 0.808 5.128 4.320 -0.001 0.000 0.268 208 A C 0.868 178.467 177.584 0.026 0.000 1.111 208 A CA 0.060 52.117 52.037 0.034 0.000 0.814 208 A CB 0.285 19.311 19.000 0.043 0.000 1.093 208 A HN 1.379 nan 8.150 nan 0.000 0.498 209 A N 0.004 122.840 122.820 0.026 0.000 2.567 209 A HA 0.338 4.657 4.320 -0.001 0.000 0.240 209 A C 0.790 178.396 177.584 0.037 0.000 1.053 209 A CA 0.820 52.871 52.037 0.023 0.000 0.755 209 A CB -1.019 17.995 19.000 0.023 0.000 0.978 209 A HN 1.373 nan 8.150 nan 0.000 0.507 210 N N -1.225 117.493 118.700 0.030 0.000 2.900 210 N HA -0.204 4.536 4.740 -0.001 0.000 0.240 210 N C 0.195 175.799 175.510 0.157 0.000 0.953 210 N CA 1.060 54.159 53.050 0.082 0.000 0.950 210 N CB -1.667 36.884 38.487 0.106 0.000 1.102 210 N HN 1.221 nan 8.380 nan 0.000 0.593 211 A N 0.034 122.906 122.820 0.086 0.000 2.351 211 A HA 0.556 4.875 4.320 -0.001 0.000 0.257 211 A C -0.332 177.308 177.584 0.093 0.000 1.087 211 A CA 0.162 52.294 52.037 0.157 0.000 0.798 211 A CB 0.300 19.351 19.000 0.084 0.000 1.033 211 A HN 0.345 nan 8.150 nan 0.000 0.488 212 H N 0.195 119.305 119.070 0.067 0.000 2.727 212 H HA 0.528 5.083 4.556 -0.000 0.000 0.330 212 H C -0.909 174.483 175.328 0.107 0.000 0.986 212 H CA -0.368 55.737 56.048 0.095 0.000 1.251 212 H CB 1.324 31.138 29.762 0.087 0.000 1.493 212 H HN 0.582 nan 8.280 nan 0.000 0.515 213 L N 2.371 123.717 121.223 0.205 0.000 2.329 213 L HA 0.491 4.830 4.340 -0.001 0.000 0.279 213 L C -0.691 176.327 176.870 0.247 0.000 1.014 213 L CA -0.417 54.537 54.840 0.189 0.000 0.814 213 L CB 1.813 43.942 42.059 0.117 0.000 1.257 213 L HN 0.703 nan 8.230 nan 0.000 0.424 214 Q N 4.342 124.281 119.800 0.232 0.000 2.325 214 Q HA 0.326 4.666 4.340 -0.001 0.000 0.270 214 Q C -1.753 174.412 176.000 0.274 0.000 1.020 214 Q CA -0.651 55.309 55.803 0.262 0.000 0.785 214 Q CB 0.886 29.733 28.738 0.181 0.000 1.259 214 Q HN 0.838 nan 8.270 nan 0.000 0.452 215 H N 5.024 124.215 119.070 0.202 0.000 2.489 215 H HA 0.501 5.057 4.556 -0.001 0.000 0.343 215 H C -1.601 173.873 175.328 0.243 0.000 1.086 215 H CA -0.618 55.541 56.048 0.185 0.000 1.198 215 H CB 0.963 30.787 29.762 0.102 0.000 1.490 215 H HN 0.602 nan 8.280 nan 0.000 0.504 216 I N 4.275 124.612 120.570 -0.389 0.000 2.545 216 I HA 0.275 4.444 4.170 -0.001 0.000 0.292 216 I C -0.432 175.484 176.117 -0.335 0.000 1.040 216 I CA -0.494 60.692 61.300 -0.189 0.000 1.068 216 I CB 2.078 40.092 38.000 0.022 0.000 1.251 216 I HN 0.470 nan 8.210 nan 0.000 0.424 217 K N 6.586 126.921 120.400 -0.108 0.000 2.426 217 K HA 0.735 5.054 4.320 -0.001 0.000 0.254 217 K C -1.811 174.844 176.600 0.092 0.000 0.936 217 K CA -0.489 55.812 56.287 0.024 0.000 0.801 217 K CB 1.233 33.800 32.500 0.112 0.000 1.139 217 K HN 0.626 nan 8.250 nan 0.000 0.424 218 L N 3.986 125.210 121.223 0.002 0.000 2.366 218 L HA 0.481 4.821 4.340 -0.001 0.000 0.266 218 L C -0.329 176.427 176.870 -0.190 0.000 1.010 218 L CA -0.882 53.776 54.840 -0.304 0.000 0.879 218 L CB 1.716 43.254 42.059 -0.868 0.000 1.228 218 L HN 0.706 nan 8.230 nan 0.000 0.439 219 A N 3.956 126.809 122.820 0.055 0.000 2.650 219 A HA 0.499 4.819 4.320 -0.001 0.000 0.320 219 A C 0.038 177.892 177.584 0.450 0.000 1.466 219 A CA -0.111 51.963 52.037 0.062 0.000 1.099 219 A CB -0.581 18.227 19.000 -0.320 0.000 1.136 219 A HN 0.747 nan 8.150 nan 0.000 0.532 220 F N 1.353 121.385 119.950 0.137 0.000 2.963 220 F HA 0.160 4.687 4.527 -0.001 0.000 0.321 220 F C 0.692 176.556 175.800 0.106 0.000 1.234 220 F CA -0.530 57.542 58.000 0.120 0.000 1.296 220 F CB 0.373 39.483 39.000 0.183 0.000 0.981 220 F HN 0.599 nan 8.300 nan 0.000 0.507 221 E N 0.868 121.236 120.200 0.280 0.000 2.376 221 E HA 0.051 4.401 4.350 -0.001 0.000 0.254 221 E C 0.056 176.759 176.600 0.171 0.000 1.213 221 E CA -0.711 55.842 56.400 0.255 0.000 0.945 221 E CB 0.573 30.462 29.700 0.315 0.000 1.057 221 E HN 0.303 nan 8.360 nan 0.000 0.479 222 N N 0.407 119.205 118.700 0.164 0.000 2.297 222 N HA -0.010 4.729 4.740 -0.001 0.000 0.232 222 N C -2.266 173.267 175.510 0.040 0.000 1.311 222 N CA -1.040 52.067 53.050 0.095 0.000 0.897 222 N CB -0.176 38.373 38.487 0.104 0.000 1.137 222 N HN 0.050 nan 8.380 nan 0.000 0.449 223 P HA -0.027 nan 4.420 nan 0.000 0.225 223 P C 0.564 177.857 177.300 -0.011 0.000 1.148 223 P CA 1.113 64.215 63.100 0.004 0.000 0.779 223 P CB 0.146 31.851 31.700 0.009 0.000 0.780 224 L N -3.172 118.045 121.223 -0.010 0.000 2.638 224 L HA 0.160 4.499 4.340 -0.001 0.000 0.232 224 L C 0.929 177.784 176.870 -0.025 0.000 1.099 224 L CA 0.089 54.923 54.840 -0.010 0.000 0.883 224 L CB -0.109 41.962 42.059 0.021 0.000 1.136 224 L HN -0.189 nan 8.230 nan 0.000 0.492 225 S N -1.157 114.492 115.700 -0.085 0.000 2.624 225 S HA 0.266 4.736 4.470 -0.001 0.000 0.263 225 S C -0.168 174.434 174.600 0.004 0.000 1.287 225 S CA -0.296 57.842 58.200 -0.103 0.000 0.990 225 S CB 0.544 63.434 63.200 -0.518 0.000 0.950 225 S HN 0.164 nan 8.310 nan 0.000 0.561 226 H N 0.645 119.835 119.070 0.200 0.000 2.466 226 H HA 0.313 4.868 4.556 -0.001 0.000 0.338 226 H C -0.896 174.766 175.328 0.558 0.000 1.091 226 H CA -0.242 56.048 56.048 0.403 0.000 1.207 226 H CB 1.288 31.278 29.762 0.379 0.000 1.466 226 H HN 0.672 nan 8.280 nan 0.000 0.493 227 H N 3.379 122.703 119.070 0.423 0.000 2.860 227 H HA 0.276 4.832 4.556 -0.001 0.000 0.312 227 H C -1.597 173.815 175.328 0.138 0.000 0.995 227 H CA -0.510 55.689 56.048 0.251 0.000 1.311 227 H CB 0.208 29.969 29.762 -0.002 0.000 1.478 227 H HN 0.305 nan 8.280 nan 0.000 0.508 228 F N 4.005 123.914 119.950 -0.067 0.000 2.445 228 F HA 0.668 5.194 4.527 -0.001 0.000 0.348 228 F C -0.169 175.561 175.800 -0.116 0.000 1.125 228 F CA -0.427 57.551 58.000 -0.035 0.000 0.983 228 F CB 1.506 40.472 39.000 -0.057 0.000 1.198 228 F HN 0.632 nan 8.300 nan 0.000 0.436 229 A N 2.716 125.551 122.820 0.026 0.000 2.469 229 A HA 0.800 5.119 4.320 -0.001 0.000 0.299 229 A C -1.817 175.782 177.584 0.024 0.000 1.098 229 A CA -0.683 51.378 52.037 0.041 0.000 0.737 229 A CB 1.556 20.621 19.000 0.109 0.000 1.312 229 A HN 0.860 nan 8.150 nan 0.000 0.414 230 H N 1.147 120.187 119.070 -0.050 0.000 3.181 230 H HA 0.390 4.945 4.556 -0.000 0.000 0.331 230 H C -1.195 174.093 175.328 -0.066 0.000 0.988 230 H CA -0.654 55.319 56.048 -0.126 0.000 1.449 230 H CB 0.681 30.393 29.762 -0.084 0.000 1.749 230 H HN 0.674 nan 8.280 nan 0.000 0.501 231 N N 2.966 121.743 118.700 0.129 0.000 2.466 231 N HA 0.258 4.997 4.740 -0.001 0.000 0.294 231 N C -1.166 174.408 175.510 0.107 0.000 1.129 231 N CA -0.497 52.628 53.050 0.126 0.000 0.931 231 N CB 1.694 40.227 38.487 0.076 0.000 1.193 231 N HN 0.578 nan 8.380 nan 0.000 0.500 232 D N 0.459 120.874 120.400 0.025 0.000 2.646 232 D HA 0.496 5.136 4.640 -0.001 0.000 0.245 232 D C -0.599 175.665 176.300 -0.061 0.000 1.099 232 D CA -0.274 53.730 54.000 0.006 0.000 0.849 232 D CB 1.649 42.454 40.800 0.008 0.000 1.448 232 D HN 0.187 nan 8.370 nan 0.000 0.489 233 L N 2.174 123.369 121.223 -0.046 0.000 2.356 233 L HA 0.524 4.863 4.340 -0.001 0.000 0.277 233 L C -0.860 175.993 176.870 -0.028 0.000 0.996 233 L CA -0.727 54.068 54.840 -0.074 0.000 0.822 233 L CB 1.530 43.534 42.059 -0.092 0.000 1.256 233 L HN 0.155 nan 8.230 nan 0.000 0.413 234 L N 4.904 126.115 121.223 -0.020 0.000 2.343 234 L HA 0.516 4.856 4.340 -0.001 0.000 0.278 234 L C -1.050 175.816 176.870 -0.007 0.000 0.996 234 L CA -0.555 54.287 54.840 0.003 0.000 0.831 234 L CB 1.960 44.039 42.059 0.034 0.000 1.232 234 L HN 0.392 nan 8.230 nan 0.000 0.413 235 L N 2.752 123.965 121.223 -0.017 0.000 2.322 235 L HA 0.727 5.066 4.340 -0.001 0.000 0.281 235 L C 0.510 177.376 176.870 -0.008 0.000 1.014 235 L CA 0.175 55.001 54.840 -0.022 0.000 0.815 235 L CB 1.753 43.783 42.059 -0.049 0.000 1.247 235 L HN 0.674 nan 8.230 nan 0.000 0.421 236 A N 2.654 125.474 122.820 -0.001 0.000 2.710 236 A HA 0.610 4.929 4.320 -0.001 0.000 0.253 236 A C -0.043 177.543 177.584 0.004 0.000 1.658 236 A CA -0.269 51.774 52.037 0.009 0.000 0.851 236 A CB 0.153 19.163 19.000 0.016 0.000 1.658 236 A HN 0.655 nan 8.150 nan 0.000 0.585 237 E N 0.038 120.244 120.200 0.009 0.000 2.319 237 E HA 0.185 4.534 4.350 -0.001 0.000 0.268 237 E C -1.116 175.483 176.600 -0.002 0.000 1.050 237 E CA -0.001 56.404 56.400 0.009 0.000 0.878 237 E CB 0.495 30.202 29.700 0.012 0.000 1.066 237 E HN 0.566 nan 8.360 nan 0.000 0.406 238 D N -0.633 119.765 120.400 -0.004 0.000 2.911 238 D HA -0.190 4.450 4.640 -0.001 0.000 0.227 238 D C -0.346 175.919 176.300 -0.058 0.000 1.164 238 D CA 1.384 55.376 54.000 -0.012 0.000 0.782 238 D CB -1.433 39.371 40.800 0.007 0.000 1.094 238 D HN 0.640 nan 8.370 nan 0.000 0.425 239 A N -0.284 122.490 122.820 -0.076 0.000 2.294 239 A HA 0.711 5.031 4.320 -0.001 0.000 0.330 239 A C 0.409 177.887 177.584 -0.177 0.000 1.133 239 A CA -0.145 51.808 52.037 -0.141 0.000 0.836 239 A CB 1.582 20.537 19.000 -0.075 0.000 1.190 239 A HN 0.003 nan 8.150 nan 0.000 0.492 240 T N 0.565 114.965 114.554 -0.257 0.000 2.876 240 T HA 0.728 5.077 4.350 -0.001 0.000 0.289 240 T C -0.614 174.080 174.700 -0.010 0.000 1.014 240 T CA 0.178 62.197 62.100 -0.134 0.000 0.986 240 T CB 1.638 70.442 68.868 -0.107 0.000 1.021 240 T HN 1.493 nan 8.240 nan 0.000 0.458 241 A N 2.493 125.303 122.820 -0.016 0.000 2.465 241 A HA 0.782 5.102 4.320 -0.001 0.000 0.292 241 A C -1.799 175.738 177.584 -0.078 0.000 1.041 241 A CA -0.638 51.421 52.037 0.036 0.000 0.718 241 A CB 0.883 19.859 19.000 -0.040 0.000 1.266 241 A HN 0.659 nan 8.150 nan 0.000 0.403 242 F N 1.408 121.363 119.950 0.008 0.000 2.507 242 F HA 0.650 5.176 4.527 -0.000 0.000 0.328 242 F C 0.615 176.353 175.800 -0.102 0.000 1.136 242 F CA -0.318 57.647 58.000 -0.058 0.000 0.930 242 F CB 2.560 41.606 39.000 0.077 0.000 1.166 242 F HN 0.467 nan 8.300 nan 0.000 0.436 243 S N 3.862 119.490 115.700 -0.121 0.000 2.552 243 S HA 0.499 4.968 4.470 -0.001 0.000 0.314 243 S C -1.312 173.144 174.600 -0.240 0.000 1.099 243 S CA -0.520 57.698 58.200 0.030 0.000 1.070 243 S CB 0.229 63.501 63.200 0.119 0.000 0.998 243 S HN 0.598 nan 8.310 nan 0.000 0.474 244 H N 2.685 121.868 119.070 0.189 0.000 2.589 244 H HA 0.461 5.017 4.556 -0.001 0.000 0.335 244 H C -0.807 174.503 175.328 -0.030 0.000 1.019 244 H CA -0.592 55.481 56.048 0.042 0.000 1.213 244 H CB 1.702 31.566 29.762 0.171 0.000 1.472 244 H HN 0.444 nan 8.280 nan 0.000 0.508 245 S N 3.164 118.774 115.700 -0.149 0.000 2.502 245 S HA 0.444 4.914 4.470 -0.001 0.000 0.304 245 S C -0.668 173.684 174.600 -0.414 0.000 1.097 245 S CA -0.673 57.435 58.200 -0.154 0.000 1.045 245 S CB 0.700 63.806 63.200 -0.157 0.000 1.019 245 S HN 0.331 nan 8.310 nan 0.000 0.481 246 F N 2.734 122.729 119.950 0.075 0.000 2.359 246 F HA 0.411 4.938 4.527 -0.000 0.000 0.369 246 F C -0.229 175.671 175.800 0.167 0.000 1.084 246 F CA -0.717 57.373 58.000 0.150 0.000 1.096 246 F CB 0.586 39.735 39.000 0.248 0.000 1.335 246 F HN 0.305 nan 8.300 nan 0.000 0.457 247 L N 5.628 126.940 121.223 0.147 0.000 2.328 247 L HA 0.354 4.694 4.340 -0.001 0.000 0.280 247 L C -0.159 176.772 176.870 0.102 0.000 1.111 247 L CA 0.014 54.894 54.840 0.066 0.000 0.909 247 L CB 0.111 42.150 42.059 -0.033 0.000 1.277 247 L HN 0.623 nan 8.230 nan 0.000 0.433 248 L N 3.214 124.544 121.223 0.179 0.000 3.083 248 L HA 0.605 4.944 4.340 -0.001 0.000 0.286 248 L C 0.379 177.278 176.870 0.049 0.000 1.307 248 L CA -0.309 54.571 54.840 0.067 0.000 0.897 248 L CB 0.742 42.765 42.059 -0.060 0.000 1.306 248 L HN 0.616 nan 8.230 nan 0.000 0.569 249 G N -1.303 107.528 108.800 0.052 0.000 2.667 249 G HA2 0.593 4.552 3.960 -0.001 0.000 0.294 249 G HA3 0.593 4.552 3.960 -0.001 0.000 0.294 249 G C -0.595 174.312 174.900 0.011 0.000 1.467 249 G CA -0.140 44.992 45.100 0.053 0.000 0.852 249 G HN 0.335 nan 8.290 nan 0.000 0.521 250 G N -1.199 107.609 108.800 0.014 0.000 2.675 250 G HA2 0.410 4.370 3.960 -0.001 0.000 0.686 250 G HA3 0.410 4.370 3.960 -0.001 0.000 0.686 250 G C 0.842 175.706 174.900 -0.061 0.000 1.215 250 G CA 0.565 45.656 45.100 -0.015 0.000 0.777 250 G HN 2.075 nan 8.290 nan 0.000 0.638 251 A N -0.143 122.606 122.820 -0.119 0.000 1.898 251 A HA 0.539 4.859 4.320 -0.001 0.000 0.214 251 A C 1.193 178.678 177.584 -0.166 0.000 1.183 251 A CA 2.193 54.149 52.037 -0.135 0.000 0.622 251 A CB 0.150 19.054 19.000 -0.160 0.000 0.824 251 A HN 1.834 nan 8.150 nan 0.000 0.444 252 V N 0.206 119.955 119.914 -0.275 0.000 2.525 252 V HA 0.513 4.632 4.120 -0.001 0.000 0.299 252 V C -0.884 175.116 176.094 -0.157 0.000 1.034 252 V CA -0.314 61.879 62.300 -0.179 0.000 0.863 252 V CB 1.479 33.243 31.823 -0.097 0.000 0.999 252 V HN 0.439 nan 8.190 nan 0.000 0.423 253 L N 5.415 126.520 121.223 -0.196 0.000 2.385 253 L HA 0.771 5.111 4.340 -0.001 0.000 0.273 253 L C -0.520 176.126 176.870 -0.373 0.000 0.990 253 L CA -0.546 54.147 54.840 -0.244 0.000 0.821 253 L CB 1.731 43.711 42.059 -0.132 0.000 1.279 253 L HN 0.729 nan 8.230 nan 0.000 0.412 254 R N 3.032 123.187 120.500 -0.575 0.000 2.473 254 R HA 0.366 4.705 4.340 -0.001 0.000 0.303 254 R C -1.795 174.362 176.300 -0.238 0.000 1.002 254 R CA -0.656 55.153 56.100 -0.485 0.000 0.884 254 R CB 0.972 30.821 30.300 -0.751 0.000 1.173 254 R HN 0.786 nan 8.270 nan 0.000 0.464 255 H N 3.088 122.037 119.070 -0.202 0.000 2.505 255 H HA 0.443 4.999 4.556 -0.001 0.000 0.338 255 H C -1.109 174.115 175.328 -0.174 0.000 1.057 255 H CA -0.502 55.474 56.048 -0.119 0.000 1.202 255 H CB 1.097 30.828 29.762 -0.051 0.000 1.466 255 H HN 0.528 nan 8.280 nan 0.000 0.499 256 N N 3.558 121.768 118.700 -0.816 0.000 2.361 256 N HA 0.262 5.002 4.740 -0.001 0.000 0.302 256 N C -1.094 173.941 175.510 -0.791 0.000 1.074 256 N CA -0.575 52.008 53.050 -0.778 0.000 0.850 256 N CB 2.182 39.970 38.487 -1.165 0.000 1.228 256 N HN 0.530 nan 8.380 nan 0.000 0.491 257 T N 0.838 115.160 114.554 -0.387 0.000 2.930 257 T HA 0.303 4.653 4.350 -0.001 0.000 0.313 257 T C -0.427 174.259 174.700 -0.023 0.000 1.019 257 T CA -0.405 61.613 62.100 -0.138 0.000 1.004 257 T CB 0.785 69.677 68.868 0.039 0.000 0.987 257 T HN 0.236 nan 8.240 nan 0.000 0.456 258 S N 2.588 118.324 115.700 0.060 0.000 2.489 258 S HA 0.761 5.231 4.470 -0.001 0.000 0.291 258 S C 0.004 174.685 174.600 0.135 0.000 1.151 258 S CA -0.638 57.666 58.200 0.174 0.000 1.082 258 S CB 1.277 64.580 63.200 0.171 0.000 1.019 258 S HN 0.668 nan 8.310 nan 0.000 0.492 259 T N 3.143 117.808 114.554 0.185 0.000 2.909 259 T HA 0.467 4.816 4.350 -0.001 0.000 0.299 259 T C -1.151 173.607 174.700 0.096 0.000 1.073 259 T CA -0.721 61.430 62.100 0.086 0.000 0.999 259 T CB 1.622 70.497 68.868 0.012 0.000 1.098 259 T HN 0.510 nan 8.240 nan 0.000 0.477 260 Q N 1.847 121.672 119.800 0.041 0.000 2.310 260 Q HA 0.481 4.820 4.340 -0.001 0.000 0.270 260 Q C -1.144 174.840 176.000 -0.026 0.000 1.025 260 Q CA -0.593 55.228 55.803 0.031 0.000 0.772 260 Q CB 2.268 31.044 28.738 0.063 0.000 1.253 260 Q HN 0.502 nan 8.270 nan 0.000 0.450 261 L N 3.301 124.480 121.223 -0.073 0.000 2.287 261 L HA 0.345 4.684 4.340 -0.001 0.000 0.280 261 L C 0.342 177.201 176.870 -0.018 0.000 1.055 261 L CA -0.334 54.455 54.840 -0.087 0.000 0.863 261 L CB 0.379 42.315 42.059 -0.205 0.000 1.245 261 L HN 0.546 nan 8.230 nan 0.000 0.432 262 N N 2.607 121.310 118.700 0.006 0.000 2.276 262 N HA 0.171 4.910 4.740 -0.001 0.000 0.212 262 N C 0.391 175.923 175.510 0.036 0.000 1.127 262 N CA 0.015 53.083 53.050 0.030 0.000 0.834 262 N CB 1.568 40.075 38.487 0.033 0.000 1.014 262 N HN 0.663 nan 8.380 nan 0.000 0.491 263 G N -0.169 108.651 108.800 0.033 0.000 2.706 263 G HA2 0.359 4.319 3.960 -0.001 0.000 0.297 263 G HA3 0.359 4.319 3.960 -0.001 0.000 0.297 263 G C -0.728 174.209 174.900 0.061 0.000 1.403 263 G CA -0.522 44.603 45.100 0.041 0.000 0.954 263 G HN -0.039 nan 8.290 nan 0.000 0.500 264 E N 0.214 120.462 120.200 0.080 0.000 2.409 264 E HA 0.138 4.488 4.350 -0.001 0.000 0.257 264 E C -0.006 176.644 176.600 0.084 0.000 1.150 264 E CA -0.036 56.440 56.400 0.126 0.000 0.942 264 E CB 0.478 30.243 29.700 0.108 0.000 0.979 264 E HN 0.516 nan 8.360 nan 0.000 0.447 265 N N -0.106 118.674 118.700 0.132 0.000 2.754 265 N HA -0.164 4.576 4.740 -0.001 0.000 0.248 265 N C -1.400 174.139 175.510 0.048 0.000 1.093 265 N CA 0.901 54.004 53.050 0.088 0.000 0.699 265 N CB -0.926 37.579 38.487 0.030 0.000 1.016 265 N HN 0.169 nan 8.380 nan 0.000 0.552 266 S N -0.724 115.002 115.700 0.044 0.000 2.638 266 S HA 0.710 5.180 4.470 -0.001 0.000 0.298 266 S C 0.299 174.890 174.600 -0.015 0.000 1.111 266 S CA -0.557 57.639 58.200 -0.006 0.000 1.027 266 S CB 1.838 65.021 63.200 -0.027 0.000 1.064 266 S HN 0.159 nan 8.310 nan 0.000 0.525 267 T N 2.366 116.885 114.554 -0.058 0.000 2.824 267 T HA 0.618 4.967 4.350 -0.001 0.000 0.282 267 T C -1.221 173.362 174.700 -0.195 0.000 0.993 267 T CA -0.403 61.642 62.100 -0.091 0.000 0.967 267 T CB 1.044 69.879 68.868 -0.054 0.000 0.960 267 T HN 0.371 nan 8.240 nan 0.000 0.441 268 L N 3.104 124.186 121.223 -0.235 0.000 2.408 268 L HA 0.708 5.048 4.340 -0.001 0.000 0.268 268 L C -1.049 175.595 176.870 -0.376 0.000 0.986 268 L CA -0.467 54.191 54.840 -0.304 0.000 0.820 268 L CB 1.619 43.558 42.059 -0.200 0.000 1.303 268 L HN 0.513 nan 8.230 nan 0.000 0.411 269 R N 5.716 125.903 120.500 -0.521 0.000 2.575 269 R HA 0.694 5.034 4.340 -0.001 0.000 0.293 269 R C -1.591 174.526 176.300 -0.304 0.000 0.983 269 R CA -0.664 55.174 56.100 -0.437 0.000 0.887 269 R CB 2.078 32.001 30.300 -0.629 0.000 1.184 269 R HN 0.641 nan 8.270 nan 0.000 0.445 270 I N 3.057 123.502 120.570 -0.208 0.000 2.500 270 I HA 0.330 4.500 4.170 -0.001 0.000 0.286 270 I C -0.900 175.060 176.117 -0.261 0.000 1.063 270 I CA -0.835 60.370 61.300 -0.157 0.000 1.062 270 I CB 1.981 39.974 38.000 -0.012 0.000 1.223 270 I HN 0.414 nan 8.210 nan 0.000 0.435 271 N N 3.643 122.174 118.700 -0.282 0.000 2.380 271 N HA 0.739 5.479 4.740 -0.001 0.000 0.290 271 N C -1.107 174.250 175.510 -0.255 0.000 1.236 271 N CA -0.773 52.047 53.050 -0.384 0.000 0.780 271 N CB 2.373 40.750 38.487 -0.184 0.000 1.438 271 N HN 0.638 nan 8.380 nan 0.000 0.491 272 S N -0.405 115.150 115.700 -0.241 0.000 2.537 272 S HA 0.667 5.137 4.470 -0.001 0.000 0.271 272 S C -1.786 172.738 174.600 -0.128 0.000 1.148 272 S CA -0.838 57.301 58.200 -0.100 0.000 0.868 272 S CB 1.368 64.703 63.200 0.225 0.000 1.115 272 S HN 0.407 nan 8.310 nan 0.000 0.461 273 L N 1.966 123.072 121.223 -0.195 0.000 2.385 273 L HA 0.965 5.304 4.340 -0.001 0.000 0.273 273 L C -0.642 176.234 176.870 0.011 0.000 0.990 273 L CA -0.326 54.468 54.840 -0.077 0.000 0.821 273 L CB 1.560 43.588 42.059 -0.050 0.000 1.279 273 L HN 1.255 nan 8.230 nan 0.000 0.412 274 A N 5.777 128.625 122.820 0.046 0.000 2.393 274 A HA 0.823 5.142 4.320 -0.001 0.000 0.306 274 A C -0.790 176.822 177.584 0.047 0.000 1.050 274 A CA -0.476 51.587 52.037 0.044 0.000 0.724 274 A CB 1.325 20.348 19.000 0.038 0.000 1.248 274 A HN 0.751 nan 8.150 nan 0.000 0.424 275 M N 4.242 123.860 119.600 0.030 0.000 3.053 275 M HA 0.222 4.701 4.480 -0.001 0.000 0.293 275 M C -2.709 173.587 176.300 -0.006 0.000 1.470 275 M CA -1.256 54.052 55.300 0.014 0.000 0.582 275 M CB 1.554 34.160 32.600 0.010 0.000 1.435 275 M HN 0.441 nan 8.290 nan 0.000 0.451 276 P HA 0.201 nan 4.420 nan 0.000 0.276 276 P C -0.439 176.850 177.300 -0.019 0.000 1.253 276 P CA 0.021 63.111 63.100 -0.015 0.000 0.766 276 P CB 0.990 32.682 31.700 -0.014 0.000 0.845 277 V N 0.937 120.839 119.914 -0.021 0.000 3.229 277 V HA 0.517 4.636 4.120 -0.001 0.000 0.310 277 V C 0.270 176.355 176.094 -0.015 0.000 1.206 277 V CA -1.640 60.648 62.300 -0.021 0.000 1.051 277 V CB 0.826 32.634 31.823 -0.025 0.000 1.183 277 V HN 0.591 nan 8.190 nan 0.000 0.466 278 K N 1.800 122.193 120.400 -0.013 0.000 4.748 278 K HA -0.291 4.029 4.320 -0.001 0.000 0.277 278 K C 0.217 176.815 176.600 -0.004 0.000 0.718 278 K CA 1.273 57.556 56.287 -0.007 0.000 0.750 278 K CB -2.017 30.479 32.500 -0.006 0.000 2.012 278 K HN 0.897 nan 8.250 nan 0.000 0.392 279 N N -0.067 118.632 118.700 -0.000 0.000 2.725 279 N HA -0.167 4.573 4.740 -0.001 0.000 0.249 279 N C -0.845 174.666 175.510 0.002 0.000 1.103 279 N CA 1.733 54.786 53.050 0.006 0.000 0.707 279 N CB -0.554 37.941 38.487 0.012 0.000 1.043 279 N HN 0.815 nan 8.380 nan 0.000 0.553 280 E N -0.295 119.900 120.200 -0.007 0.000 2.283 280 E HA 0.569 4.919 4.350 -0.001 0.000 0.267 280 E C -0.131 176.462 176.600 -0.011 0.000 1.045 280 E CA -0.694 55.695 56.400 -0.019 0.000 0.884 280 E CB 1.740 31.424 29.700 -0.026 0.000 1.106 280 E HN -0.089 nan 8.360 nan 0.000 0.408 281 V N 1.619 121.522 119.914 -0.019 0.000 2.483 281 V HA 0.194 4.314 4.120 -0.001 0.000 0.297 281 V C -0.896 175.174 176.094 -0.040 0.000 1.027 281 V CA -0.782 61.512 62.300 -0.009 0.000 0.855 281 V CB 1.545 33.383 31.823 0.025 0.000 0.995 281 V HN 0.791 nan 8.190 nan 0.000 0.424 282 C N 4.409 123.687 119.300 -0.037 0.000 2.301 282 C HA 0.630 5.090 4.460 -0.001 0.000 0.323 282 C C -0.648 174.309 174.990 -0.055 0.000 1.265 282 C CA -0.390 58.596 59.018 -0.053 0.000 1.503 282 C CB 0.348 28.070 27.740 -0.030 0.000 2.195 282 C HN 0.931 nan 8.230 nan 0.000 0.477 283 D N 3.558 123.899 120.400 -0.098 0.000 2.441 283 D HA 0.317 4.957 4.640 -0.001 0.000 0.231 283 D C -0.463 175.770 176.300 -0.112 0.000 1.073 283 D CA 0.365 54.293 54.000 -0.121 0.000 0.850 283 D CB 1.599 42.283 40.800 -0.193 0.000 1.062 283 D HN 0.605 nan 8.370 nan 0.000 0.524 284 T N 3.937 118.448 114.554 -0.071 0.000 2.770 284 T HA 0.610 4.959 4.350 -0.001 0.000 0.283 284 T C -0.487 174.086 174.700 -0.212 0.000 0.988 284 T CA -0.617 61.459 62.100 -0.040 0.000 0.957 284 T CB 0.355 69.272 68.868 0.081 0.000 0.930 284 T HN 0.338 nan 8.240 nan 0.000 0.443 285 R N 2.641 122.994 120.500 -0.244 0.000 2.744 285 R HA 0.739 5.079 4.340 -0.001 0.000 0.279 285 R C -0.745 175.396 176.300 -0.265 0.000 0.977 285 R CA -1.057 54.816 56.100 -0.379 0.000 0.906 285 R CB 2.144 32.236 30.300 -0.348 0.000 1.197 285 R HN 0.734 nan 8.270 nan 0.000 0.463 286 T N -2.048 112.356 114.554 -0.250 0.000 2.909 286 T HA 0.524 4.874 4.350 -0.001 0.000 0.299 286 T C -1.350 173.381 174.700 0.051 0.000 1.073 286 T CA -0.845 61.222 62.100 -0.055 0.000 0.999 286 T CB 2.215 71.111 68.868 0.047 0.000 1.098 286 T HN 0.657 nan 8.240 nan 0.000 0.477 287 W N 4.458 125.704 121.300 -0.088 0.000 2.756 287 W HA 0.649 5.308 4.660 -0.000 0.000 0.333 287 W C -2.700 173.806 176.519 -0.022 0.000 1.025 287 W CA -1.342 55.974 57.345 -0.048 0.000 1.246 287 W CB 1.641 31.084 29.460 -0.029 0.000 1.358 287 W HN 0.775 nan 8.180 nan 0.000 0.444 288 L N 5.366 126.499 121.223 -0.150 0.000 2.381 288 L HA 0.527 4.866 4.340 -0.001 0.000 0.274 288 L C -0.894 175.878 176.870 -0.163 0.000 0.988 288 L CA -0.177 54.616 54.840 -0.079 0.000 0.824 288 L CB 2.015 44.048 42.059 -0.045 0.000 1.263 288 L HN 0.415 nan 8.230 nan 0.000 0.410 289 E N 4.293 124.456 120.200 -0.061 0.000 2.145 289 E HA 0.299 4.649 4.350 -0.001 0.000 0.262 289 E C -1.047 175.525 176.600 -0.046 0.000 0.883 289 E CA -0.504 55.878 56.400 -0.031 0.000 0.748 289 E CB 0.920 30.667 29.700 0.079 0.000 1.140 289 E HN 0.535 nan 8.360 nan 0.000 0.417 290 H N 3.101 122.144 119.070 -0.046 0.000 2.914 290 H HA 0.120 4.676 4.556 -0.000 0.000 0.264 290 H C 0.150 175.477 175.328 -0.001 0.000 1.433 290 H CA 0.069 56.100 56.048 -0.028 0.000 1.342 290 H CB 0.151 29.879 29.762 -0.058 0.000 1.582 290 H HN 0.613 nan 8.280 nan 0.000 0.525 291 N N 1.564 120.315 118.700 0.085 0.000 2.354 291 N HA -0.052 4.688 4.740 -0.001 0.000 0.179 291 N C 0.073 175.644 175.510 0.103 0.000 1.021 291 N CA 0.639 53.745 53.050 0.093 0.000 0.887 291 N CB 0.554 39.088 38.487 0.078 0.000 0.974 291 N HN 0.299 nan 8.380 nan 0.000 0.437 292 K N 0.190 120.654 120.400 0.107 0.000 2.340 292 K HA 0.390 4.709 4.320 -0.001 0.000 0.244 292 K C 0.076 176.766 176.600 0.150 0.000 0.973 292 K CA -0.668 55.695 56.287 0.127 0.000 0.828 292 K CB 1.886 34.455 32.500 0.116 0.000 1.226 292 K HN -0.042 nan 8.250 nan 0.000 0.437 293 G N -0.449 108.456 108.800 0.175 0.000 2.563 293 G HA2 0.414 4.374 3.960 -0.001 0.000 0.283 293 G HA3 0.414 4.374 3.960 -0.001 0.000 0.283 293 G C -0.397 174.645 174.900 0.237 0.000 1.309 293 G CA -0.515 44.636 45.100 0.085 0.000 1.022 293 G HN 0.578 nan 8.290 nan 0.000 0.501 294 F N -2.582 117.393 119.950 0.042 0.000 3.084 294 F HA -0.202 4.324 4.527 -0.000 0.000 0.286 294 F C 0.815 176.642 175.800 0.045 0.000 0.855 294 F CA -0.095 57.925 58.000 0.033 0.000 1.091 294 F CB -2.220 36.797 39.000 0.027 0.000 1.177 294 F HN 0.368 nan 8.300 nan 0.000 0.542 295 C N 0.746 120.149 119.300 0.173 0.000 2.391 295 C HA 0.593 5.052 4.460 -0.001 0.000 0.339 295 C C 0.574 175.663 174.990 0.165 0.000 1.205 295 C CA -0.996 58.124 59.018 0.170 0.000 1.937 295 C CB 1.572 29.422 27.740 0.184 0.000 2.341 295 C HN 0.471 nan 8.230 nan 0.000 0.516 296 N N 1.273 120.041 118.700 0.113 0.000 2.372 296 N HA 0.513 5.253 4.740 -0.001 0.000 0.285 296 N C -1.005 174.543 175.510 0.063 0.000 1.008 296 N CA 0.144 53.241 53.050 0.077 0.000 0.880 296 N CB 1.891 40.397 38.487 0.031 0.000 1.239 296 N HN 0.885 nan 8.380 nan 0.000 0.484 297 S N 3.277 119.033 115.700 0.093 0.000 2.536 297 S HA 0.687 5.156 4.470 -0.001 0.000 0.287 297 S C -0.946 173.656 174.600 0.004 0.000 1.101 297 S CA -0.919 57.303 58.200 0.038 0.000 0.950 297 S CB 2.260 65.543 63.200 0.139 0.000 1.056 297 S HN 0.504 nan 8.310 nan 0.000 0.481 298 R N 1.540 122.008 120.500 -0.053 0.000 2.621 298 R HA 0.497 4.837 4.340 -0.001 0.000 0.284 298 R C -1.230 175.026 176.300 -0.073 0.000 0.998 298 R CA -0.445 55.624 56.100 -0.051 0.000 0.895 298 R CB 2.121 32.386 30.300 -0.059 0.000 1.195 298 R HN 0.845 nan 8.270 nan 0.000 0.450 299 Q N 2.010 121.778 119.800 -0.053 0.000 2.323 299 Q HA 0.503 4.842 4.340 -0.001 0.000 0.271 299 Q C -1.202 174.688 176.000 -0.183 0.000 1.048 299 Q CA -1.056 54.683 55.803 -0.107 0.000 0.792 299 Q CB 2.922 31.710 28.738 0.084 0.000 1.280 299 Q HN 0.224 nan 8.270 nan 0.000 0.441 300 L N 3.036 124.036 121.223 -0.372 0.000 2.406 300 L HA 0.418 4.757 4.340 -0.001 0.000 0.270 300 L C -1.726 174.832 176.870 -0.520 0.000 0.982 300 L CA -0.216 54.426 54.840 -0.329 0.000 0.843 300 L CB 1.074 43.008 42.059 -0.208 0.000 1.225 300 L HN 0.630 nan 8.230 nan 0.000 0.412 301 H N 4.920 123.853 119.070 -0.229 0.000 2.646 301 H HA 0.489 5.045 4.556 -0.001 0.000 0.328 301 H C -0.929 174.253 175.328 -0.243 0.000 0.998 301 H CA -0.643 55.266 56.048 -0.232 0.000 1.225 301 H CB 1.580 31.144 29.762 -0.331 0.000 1.457 301 H HN 0.512 nan 8.280 nan 0.000 0.505 302 K N 1.970 122.321 120.400 -0.082 0.000 2.316 302 K HA 0.452 4.772 4.320 -0.001 0.000 0.251 302 K C -0.115 176.528 176.600 0.071 0.000 0.934 302 K CA -0.812 55.437 56.287 -0.064 0.000 0.802 302 K CB 2.506 34.828 32.500 -0.296 0.000 1.171 302 K HN 0.613 nan 8.250 nan 0.000 0.426 303 T N -0.959 113.704 114.554 0.183 0.000 2.906 303 T HA 0.676 5.025 4.350 -0.001 0.000 0.295 303 T C -0.757 174.052 174.700 0.182 0.000 1.061 303 T CA -0.835 61.354 62.100 0.148 0.000 1.000 303 T CB 0.808 69.721 68.868 0.074 0.000 1.103 303 T HN 0.286 nan 8.240 nan 0.000 0.486 304 I N 2.362 122.987 120.570 0.092 0.000 2.476 304 I HA 0.431 4.601 4.170 -0.001 0.000 0.281 304 I C -0.574 175.531 176.117 -0.021 0.000 1.040 304 I CA -0.719 60.581 61.300 0.000 0.000 1.094 304 I CB 1.977 39.976 38.000 -0.001 0.000 1.219 304 I HN 0.589 nan 8.210 nan 0.000 0.450 305 V N 5.133 125.022 119.914 -0.042 0.000 2.394 305 V HA 0.479 4.598 4.120 -0.001 0.000 0.282 305 V C 0.525 176.591 176.094 -0.047 0.000 1.031 305 V CA -0.104 62.174 62.300 -0.036 0.000 0.881 305 V CB 1.336 33.139 31.823 -0.033 0.000 0.982 305 V HN 0.849 nan 8.190 nan 0.000 0.451 306 S N 2.052 117.729 115.700 -0.039 0.000 2.694 306 S HA 0.077 4.547 4.470 -0.001 0.000 0.225 306 S C 0.847 175.428 174.600 -0.032 0.000 1.012 306 S CA 0.088 58.263 58.200 -0.041 0.000 0.896 306 S CB 0.157 63.331 63.200 -0.042 0.000 0.838 306 S HN 0.852 nan 8.310 nan 0.000 0.604 307 D N 1.511 121.897 120.400 -0.024 0.000 2.556 307 D HA 0.180 4.819 4.640 -0.001 0.000 0.260 307 D C 0.640 176.933 176.300 -0.012 0.000 1.329 307 D CA 0.354 54.344 54.000 -0.017 0.000 1.088 307 D CB -0.076 40.716 40.800 -0.014 0.000 0.925 307 D HN 0.095 nan 8.370 nan 0.000 0.247 308 K N 0.896 121.292 120.400 -0.006 0.000 2.437 308 K HA 0.290 4.610 4.320 -0.001 0.000 0.205 308 K C 0.715 177.316 176.600 0.001 0.000 1.026 308 K CA -0.355 55.932 56.287 -0.000 0.000 1.153 308 K CB 0.945 33.449 32.500 0.006 0.000 0.863 308 K HN 0.097 nan 8.250 nan 0.000 0.502 309 G N 1.362 110.159 108.800 -0.006 0.000 2.636 309 G HA2 0.084 4.044 3.960 -0.001 0.000 0.246 309 G HA3 0.084 4.044 3.960 -0.001 0.000 0.246 309 G C -0.658 174.238 174.900 -0.006 0.000 1.216 309 G CA -0.305 44.791 45.100 -0.007 0.000 0.854 309 G HN 0.216 nan 8.290 nan 0.000 0.572 310 R N 0.155 120.653 120.500 -0.004 0.000 2.533 310 R HA 0.556 4.896 4.340 -0.001 0.000 0.288 310 R C -0.808 175.484 176.300 -0.013 0.000 1.039 310 R CA -0.634 55.462 56.100 -0.006 0.000 0.909 310 R CB 1.539 31.848 30.300 0.015 0.000 1.195 310 R HN 0.700 nan 8.270 nan 0.000 0.438 311 A N 3.618 126.424 122.820 -0.024 0.000 2.317 311 A HA 0.661 4.981 4.320 -0.001 0.000 0.327 311 A C -0.995 176.566 177.584 -0.038 0.000 1.178 311 A CA -0.572 51.455 52.037 -0.018 0.000 0.817 311 A CB 1.671 20.670 19.000 -0.002 0.000 1.189 311 A HN 0.404 nan 8.150 nan 0.000 0.489 312 V N 2.371 122.268 119.914 -0.028 0.000 2.531 312 V HA 0.552 4.672 4.120 -0.001 0.000 0.301 312 V C -1.099 174.990 176.094 -0.009 0.000 1.034 312 V CA -0.344 61.922 62.300 -0.057 0.000 0.865 312 V CB 1.352 33.148 31.823 -0.046 0.000 0.995 312 V HN 0.820 nan 8.190 nan 0.000 0.424 313 F N 4.367 124.230 119.950 -0.146 0.000 2.540 313 F HA 0.760 5.286 4.527 -0.001 0.000 0.317 313 F C -0.499 175.216 175.800 -0.142 0.000 1.104 313 F CA -0.555 57.350 58.000 -0.157 0.000 0.913 313 F CB 1.968 40.877 39.000 -0.152 0.000 1.170 313 F HN 0.523 nan 8.300 nan 0.000 0.450 314 N N 2.971 120.852 118.700 -1.364 0.000 2.500 314 N HA 0.639 5.378 4.740 -0.001 0.000 0.291 314 N C -1.331 173.479 175.510 -1.167 0.000 1.092 314 N CA -0.400 52.096 53.050 -0.925 0.000 0.890 314 N CB 2.000 40.218 38.487 -0.449 0.000 1.466 314 N HN 0.910 nan 8.380 nan 0.000 0.507 315 G N 2.092 110.425 108.800 -0.778 0.000 2.737 315 G HA2 0.499 4.458 3.960 -0.001 0.000 0.290 315 G HA3 0.499 4.458 3.960 -0.001 0.000 0.290 315 G C -1.860 172.971 174.900 -0.115 0.000 1.482 315 G CA -0.368 44.520 45.100 -0.352 0.000 1.017 315 G HN 0.493 nan 8.290 nan 0.000 0.529 316 L N 3.116 124.255 121.223 -0.139 0.000 2.322 316 L HA 0.795 5.134 4.340 -0.001 0.000 0.281 316 L C -0.814 175.898 176.870 -0.263 0.000 1.014 316 L CA -0.963 53.750 54.840 -0.211 0.000 0.815 316 L CB 1.350 43.197 42.059 -0.353 0.000 1.247 316 L HN 0.431 nan 8.230 nan 0.000 0.421 317 I N 5.314 125.758 120.570 -0.210 0.000 2.418 317 I HA 0.397 4.567 4.170 -0.001 0.000 0.287 317 I C -0.655 175.308 176.117 -0.256 0.000 1.008 317 I CA -0.499 60.692 61.300 -0.181 0.000 1.104 317 I CB 1.600 39.563 38.000 -0.062 0.000 1.264 317 I HN 0.606 nan 8.210 nan 0.000 0.438 318 N N 6.365 124.894 118.700 -0.286 0.000 2.392 318 N HA 0.426 5.166 4.740 -0.001 0.000 0.283 318 N C -1.538 173.865 175.510 -0.179 0.000 1.003 318 N CA -0.305 52.563 53.050 -0.303 0.000 0.892 318 N CB 2.350 40.655 38.487 -0.304 0.000 1.193 318 N HN 0.256 nan 8.380 nan 0.000 0.487 319 V N 2.778 122.537 119.914 -0.259 0.000 2.326 319 V HA 0.474 4.594 4.120 -0.001 0.000 0.281 319 V C 0.653 176.695 176.094 -0.087 0.000 1.015 319 V CA -0.992 61.222 62.300 -0.143 0.000 0.823 319 V CB 0.634 32.329 31.823 -0.214 0.000 1.009 319 V HN 0.817 nan 8.190 nan 0.000 0.436 320 A N 4.040 126.890 122.820 0.049 0.000 2.448 320 A HA 0.305 4.625 4.320 -0.001 0.000 0.239 320 A C 0.406 178.074 177.584 0.140 0.000 1.080 320 A CA 0.009 52.137 52.037 0.152 0.000 0.779 320 A CB 0.171 19.256 19.000 0.142 0.000 1.026 320 A HN 0.855 nan 8.150 nan 0.000 0.499 321 Q N -0.366 119.537 119.800 0.172 0.000 2.349 321 Q HA 0.134 4.474 4.340 -0.001 0.000 0.287 321 Q C -0.150 175.907 176.000 0.095 0.000 1.044 321 Q CA 0.921 56.756 55.803 0.053 0.000 0.918 321 Q CB -0.015 28.747 28.738 0.039 0.000 1.242 321 Q HN 0.937 nan 8.270 nan 0.000 0.405 322 H N -0.364 118.726 119.070 0.034 0.000 3.395 322 H HA -0.231 4.324 4.556 -0.000 0.000 0.222 322 H C -0.196 175.134 175.328 0.004 0.000 1.099 322 H CA 0.702 56.761 56.048 0.019 0.000 1.182 322 H CB -1.560 28.223 29.762 0.036 0.000 1.188 322 H HN 0.579 nan 8.280 nan 0.000 0.317 323 A N 1.328 124.184 122.820 0.060 0.000 3.074 323 A HA 0.382 4.701 4.320 -0.001 0.000 0.251 323 A C 1.085 178.603 177.584 -0.111 0.000 1.695 323 A CA 0.010 52.055 52.037 0.013 0.000 1.343 323 A CB -1.391 17.626 19.000 0.028 0.000 1.078 323 A HN 0.527 nan 8.150 nan 0.000 0.644 324 I N -3.384 117.091 120.570 -0.157 0.000 2.993 324 I HA 0.325 4.494 4.170 -0.001 0.000 0.286 324 I C 0.719 176.498 176.117 -0.563 0.000 1.215 324 I CA -0.348 60.776 61.300 -0.293 0.000 1.393 324 I CB 0.288 38.141 38.000 -0.244 0.000 1.371 324 I HN 0.228 nan 8.210 nan 0.000 0.602 325 K N 0.975 121.087 120.400 -0.481 0.000 3.341 325 K HA -0.140 4.180 4.320 -0.001 0.000 0.305 325 K C -0.062 176.348 176.600 -0.317 0.000 1.270 325 K CA 1.242 57.240 56.287 -0.482 0.000 0.897 325 K CB -2.557 29.377 32.500 -0.944 0.000 1.264 325 K HN 0.944 nan 8.250 nan 0.000 0.468 326 T N 1.067 115.453 114.554 -0.279 0.000 2.919 326 T HA 0.191 4.541 4.350 -0.001 0.000 0.302 326 T C -0.224 174.325 174.700 -0.252 0.000 1.031 326 T CA -0.176 61.759 62.100 -0.276 0.000 1.127 326 T CB 0.759 69.387 68.868 -0.401 0.000 0.952 326 T HN 0.159 nan 8.240 nan 0.000 0.540 327 D N 1.920 122.192 120.400 -0.213 0.000 2.358 327 D HA 0.394 5.034 4.640 -0.001 0.000 0.253 327 D C -0.518 175.704 176.300 -0.129 0.000 1.288 327 D CA -0.351 53.562 54.000 -0.144 0.000 0.950 327 D CB 0.792 41.551 40.800 -0.068 0.000 1.197 327 D HN 0.688 nan 8.370 nan 0.000 0.550 328 G N 2.283 110.978 108.800 -0.175 0.000 2.566 328 G HA2 0.602 4.562 3.960 -0.001 0.000 0.311 328 G HA3 0.602 4.562 3.960 -0.001 0.000 0.311 328 G C -0.854 174.011 174.900 -0.057 0.000 1.322 328 G CA -0.463 44.583 45.100 -0.091 0.000 0.969 328 G HN 0.327 nan 8.290 nan 0.000 0.490 329 Q N 0.671 120.465 119.800 -0.011 0.000 2.397 329 Q HA 0.644 4.983 4.340 -0.001 0.000 0.275 329 Q C -0.996 175.023 176.000 0.033 0.000 1.090 329 Q CA -0.783 55.021 55.803 0.001 0.000 0.809 329 Q CB 3.341 32.073 28.738 -0.011 0.000 1.362 329 Q HN 0.592 nan 8.270 nan 0.000 0.431 330 M N 1.329 120.967 119.600 0.063 0.000 2.271 330 M HA 0.480 4.960 4.480 -0.001 0.000 0.285 330 M C -1.784 174.537 176.300 0.035 0.000 1.059 330 M CA -0.165 55.187 55.300 0.086 0.000 0.940 330 M CB 2.283 34.987 32.600 0.173 0.000 1.636 330 M HN 0.578 nan 8.290 nan 0.000 0.460 331 T N 3.998 118.529 114.554 -0.039 0.000 2.879 331 T HA 0.386 4.736 4.350 -0.001 0.000 0.290 331 T C -1.067 173.503 174.700 -0.218 0.000 0.993 331 T CA -0.731 61.306 62.100 -0.105 0.000 0.975 331 T CB 1.192 70.007 68.868 -0.089 0.000 0.981 331 T HN 0.727 nan 8.240 nan 0.000 0.439 332 N N 3.699 122.227 118.700 -0.286 0.000 2.531 332 N HA 0.180 4.920 4.740 -0.001 0.000 0.268 332 N C -1.334 174.060 175.510 -0.194 0.000 1.023 332 N CA -0.559 52.248 53.050 -0.405 0.000 0.896 332 N CB 0.616 38.638 38.487 -0.776 0.000 1.233 332 N HN 0.447 nan 8.380 nan 0.000 0.512 333 N N 2.764 121.401 118.700 -0.105 0.000 2.419 333 N HA 0.301 5.041 4.740 -0.001 0.000 0.277 333 N C -1.218 174.411 175.510 0.198 0.000 1.006 333 N CA -0.365 52.721 53.050 0.059 0.000 0.923 333 N CB 1.224 39.759 38.487 0.081 0.000 1.140 333 N HN 0.563 nan 8.380 nan 0.000 0.488 334 N N 1.888 120.678 118.700 0.149 0.000 2.354 334 N HA 0.300 5.040 4.740 -0.001 0.000 0.287 334 N C -1.069 174.431 175.510 -0.016 0.000 1.016 334 N CA -0.542 52.564 53.050 0.093 0.000 0.871 334 N CB 2.402 40.895 38.487 0.010 0.000 1.299 334 N HN 0.318 nan 8.380 nan 0.000 0.482 335 L N 3.061 124.203 121.223 -0.135 0.000 2.298 335 L HA 0.508 4.848 4.340 -0.001 0.000 0.284 335 L C -1.046 175.713 176.870 -0.185 0.000 1.013 335 L CA -0.462 54.182 54.840 -0.328 0.000 0.824 335 L CB 0.805 42.395 42.059 -0.781 0.000 1.221 335 L HN 0.389 nan 8.230 nan 0.000 0.418 336 L N 6.014 127.152 121.223 -0.142 0.000 2.282 336 L HA 0.334 4.673 4.340 -0.001 0.000 0.288 336 L C 0.786 177.597 176.870 -0.098 0.000 1.033 336 L CA -0.455 54.327 54.840 -0.096 0.000 0.807 336 L CB 1.655 43.672 42.059 -0.069 0.000 1.209 336 L HN 0.681 nan 8.230 nan 0.000 0.423 337 M N 1.377 120.927 119.600 -0.083 0.000 2.552 337 M HA 0.216 4.695 4.480 -0.001 0.000 0.264 337 M C 0.885 177.154 176.300 -0.052 0.000 1.159 337 M CA 0.368 55.623 55.300 -0.074 0.000 1.176 337 M CB -0.201 32.355 32.600 -0.074 0.000 1.327 337 M HN 0.624 nan 8.290 nan 0.000 0.481 338 G N -0.357 108.418 108.800 -0.042 0.000 2.568 338 G HA2 0.407 4.367 3.960 -0.001 0.000 0.313 338 G HA3 0.407 4.367 3.960 -0.001 0.000 0.313 338 G C 0.332 175.217 174.900 -0.025 0.000 1.227 338 G CA -0.488 44.594 45.100 -0.030 0.000 0.979 338 G HN 0.141 nan 8.290 nan 0.000 0.486 339 K N -0.494 119.895 120.400 -0.018 0.000 2.280 339 K HA 0.006 4.325 4.320 -0.001 0.000 0.202 339 K C 1.321 177.915 176.600 -0.011 0.000 1.047 339 K CA 0.650 56.928 56.287 -0.014 0.000 0.942 339 K CB -0.041 32.453 32.500 -0.009 0.000 0.739 339 K HN 0.147 nan 8.250 nan 0.000 0.457 340 L N -0.100 121.116 121.223 -0.011 0.000 2.640 340 L HA 0.249 4.589 4.340 -0.001 0.000 0.230 340 L C 0.735 177.600 176.870 -0.008 0.000 1.123 340 L CA 0.066 54.902 54.840 -0.006 0.000 0.900 340 L CB -0.958 41.100 42.059 -0.002 0.000 1.146 340 L HN -0.060 nan 8.230 nan 0.000 0.484 341 A N 0.623 123.434 122.820 -0.016 0.000 2.386 341 A HA 0.410 4.730 4.320 -0.001 0.000 0.248 341 A C 0.201 177.772 177.584 -0.021 0.000 1.082 341 A CA 0.074 52.099 52.037 -0.021 0.000 0.789 341 A CB 0.463 19.444 19.000 -0.032 0.000 1.025 341 A HN 0.377 nan 8.150 nan 0.000 0.490 342 E N -0.648 119.538 120.200 -0.023 0.000 2.367 342 E HA 0.594 4.944 4.350 -0.001 0.000 0.273 342 E C -1.765 174.806 176.600 -0.048 0.000 0.903 342 E CA -0.728 55.655 56.400 -0.030 0.000 0.764 342 E CB 2.522 32.213 29.700 -0.014 0.000 1.252 342 E HN 0.506 nan 8.360 nan 0.000 0.446 343 V N 1.969 121.839 119.914 -0.074 0.000 2.817 343 V HA 0.343 4.463 4.120 -0.001 0.000 0.303 343 V C -1.994 173.994 176.094 -0.176 0.000 1.151 343 V CA -0.507 61.734 62.300 -0.099 0.000 0.929 343 V CB 2.019 33.804 31.823 -0.064 0.000 1.030 343 V HN 0.674 nan 8.190 nan 0.000 0.427 344 D N 3.967 124.200 120.400 -0.278 0.000 2.593 344 D HA 0.473 5.112 4.640 -0.001 0.000 0.251 344 D C -0.859 175.268 176.300 -0.287 0.000 1.140 344 D CA -0.069 53.632 54.000 -0.498 0.000 0.855 344 D CB 2.217 42.229 40.800 -1.314 0.000 1.267 344 D HN 0.610 nan 8.370 nan 0.000 0.532 345 T N 1.097 115.559 114.554 -0.153 0.000 2.881 345 T HA 0.394 4.744 4.350 -0.001 0.000 0.290 345 T C -1.065 173.650 174.700 0.024 0.000 1.000 345 T CA -0.696 61.415 62.100 0.018 0.000 0.978 345 T CB 0.798 69.714 68.868 0.079 0.000 0.997 345 T HN 0.183 nan 8.240 nan 0.000 0.443 346 K N 5.757 126.182 120.400 0.043 0.000 2.679 346 K HA 0.346 4.666 4.320 -0.001 0.000 0.188 346 K C -2.699 173.894 176.600 -0.011 0.000 1.055 346 K CA -1.734 54.557 56.287 0.006 0.000 1.006 346 K CB 1.584 34.089 32.500 0.008 0.000 1.317 346 K HN 0.432 nan 8.250 nan 0.000 0.584 347 P HA 0.108 nan 4.420 nan 0.000 0.287 347 P C -0.921 176.371 177.300 -0.014 0.000 1.281 347 P CA -0.313 62.785 63.100 -0.003 0.000 0.781 347 P CB 1.195 32.750 31.700 -0.242 0.000 0.903 348 Q N 1.914 121.765 119.800 0.085 0.000 2.399 348 Q HA 0.739 5.079 4.340 -0.001 0.000 0.276 348 Q C -0.763 175.287 176.000 0.084 0.000 1.098 348 Q CA -0.887 54.978 55.803 0.102 0.000 0.827 348 Q CB 2.416 31.153 28.738 -0.002 0.000 1.386 348 Q HN 0.397 nan 8.270 nan 0.000 0.443 349 L N 1.078 122.305 121.223 0.007 0.000 2.464 349 L HA 0.470 4.810 4.340 -0.001 0.000 0.266 349 L C -1.061 175.705 176.870 -0.173 0.000 0.965 349 L CA -0.424 54.346 54.840 -0.116 0.000 0.833 349 L CB 2.316 44.260 42.059 -0.192 0.000 1.296 349 L HN 0.596 nan 8.230 nan 0.000 0.405 350 E N 4.833 124.861 120.200 -0.287 0.000 2.518 350 E HA 0.409 4.759 4.350 -0.001 0.000 0.240 350 E C -1.154 174.991 176.600 -0.759 0.000 0.996 350 E CA -0.515 55.616 56.400 -0.449 0.000 0.768 350 E CB 1.835 31.295 29.700 -0.401 0.000 1.329 350 E HN 0.272 nan 8.360 nan 0.000 0.408 351 I N 2.619 122.835 120.570 -0.590 0.000 2.339 351 I HA 0.180 4.350 4.170 -0.001 0.000 0.290 351 I C 0.036 175.959 176.117 -0.323 0.000 0.994 351 I CA -0.451 60.565 61.300 -0.473 0.000 1.191 351 I CB 0.171 38.019 38.000 -0.254 0.000 1.343 351 I HN 0.620 nan 8.210 nan 0.000 0.458 352 Y N 3.978 124.227 120.300 -0.084 0.000 2.660 352 Y HA 0.604 5.153 4.550 -0.001 0.000 0.254 352 Y C 0.824 176.654 175.900 -0.117 0.000 1.176 352 Y CA -0.625 57.424 58.100 -0.085 0.000 1.195 352 Y CB 1.010 39.432 38.460 -0.063 0.000 1.190 352 Y HN 0.645 nan 8.280 nan 0.000 0.535 353 A N 0.651 123.461 122.820 -0.017 0.000 2.393 353 A HA 0.313 4.633 4.320 -0.001 0.000 0.306 353 A C 0.120 177.650 177.584 -0.091 0.000 1.050 353 A CA -0.599 51.390 52.037 -0.080 0.000 0.724 353 A CB 1.008 19.952 19.000 -0.093 0.000 1.248 353 A HN 0.279 nan 8.150 nan 0.000 0.424 354 D N 0.822 121.168 120.400 -0.090 0.000 2.216 354 D HA -0.092 4.548 4.640 -0.001 0.000 0.208 354 D C 0.059 176.305 176.300 -0.089 0.000 0.960 354 D CA 0.680 54.632 54.000 -0.080 0.000 0.861 354 D CB -0.092 40.670 40.800 -0.064 0.000 0.985 354 D HN 0.394 nan 8.370 nan 0.000 0.493 355 D N 1.156 121.498 120.400 -0.097 0.000 2.688 355 D HA 0.150 4.790 4.640 -0.001 0.000 0.228 355 D C -0.050 176.165 176.300 -0.141 0.000 1.116 355 D CA -0.222 53.715 54.000 -0.105 0.000 1.023 355 D CB -0.219 40.521 40.800 -0.100 0.000 1.100 355 D HN 0.135 nan 8.370 nan 0.000 0.487 356 V N -1.482 118.351 119.914 -0.135 0.000 3.182 356 V HA 0.649 4.769 4.120 -0.001 0.000 0.308 356 V C -0.848 175.163 176.094 -0.138 0.000 1.240 356 V CA -1.099 61.104 62.300 -0.161 0.000 1.063 356 V CB 2.292 34.001 31.823 -0.190 0.000 1.076 356 V HN -0.030 nan 8.190 nan 0.000 0.446 357 K N 1.007 121.318 120.400 -0.149 0.000 2.646 357 K HA 0.652 4.971 4.320 -0.001 0.000 0.210 357 K C -1.592 174.923 176.600 -0.141 0.000 1.020 357 K CA -0.196 56.018 56.287 -0.122 0.000 1.040 357 K CB 1.261 33.704 32.500 -0.095 0.000 1.253 357 K HN 0.840 nan 8.250 nan 0.000 0.532 358 C N 1.516 120.725 119.300 -0.152 0.000 2.417 358 C HA 0.746 5.206 4.460 -0.001 0.000 0.324 358 C C -0.007 174.890 174.990 -0.155 0.000 1.240 358 C CA -0.619 58.299 59.018 -0.167 0.000 1.632 358 C CB 0.905 28.520 27.740 -0.207 0.000 2.241 358 C HN 0.882 nan 8.230 nan 0.000 0.499 359 S N 1.532 117.154 115.700 -0.130 0.000 2.565 359 S HA 0.778 5.248 4.470 -0.001 0.000 0.269 359 S C -1.292 173.296 174.600 -0.020 0.000 1.153 359 S CA -0.772 57.358 58.200 -0.117 0.000 0.835 359 S CB 1.315 64.479 63.200 -0.060 0.000 1.122 359 S HN 1.044 nan 8.310 nan 0.000 0.462 360 H N -1.222 117.831 119.070 -0.028 0.000 3.037 360 H HA 0.833 5.388 4.556 -0.001 0.000 0.355 360 H C -0.548 174.770 175.328 -0.017 0.000 1.263 360 H CA -1.352 54.687 56.048 -0.015 0.000 1.129 360 H CB 1.537 31.302 29.762 0.006 0.000 1.861 360 H HN 1.109 nan 8.280 nan 0.000 0.546 361 G N -0.199 108.660 108.800 0.098 0.000 2.718 361 G HA2 0.643 4.603 3.960 -0.001 0.000 0.295 361 G HA3 0.643 4.603 3.960 -0.001 0.000 0.295 361 G C -1.875 172.974 174.900 -0.086 0.000 1.421 361 G CA -0.433 44.674 45.100 0.011 0.000 0.902 361 G HN 0.863 nan 8.290 nan 0.000 0.501 362 A N 0.432 123.201 122.820 -0.085 0.000 2.459 362 A HA 0.927 5.246 4.320 -0.001 0.000 0.296 362 A C -0.188 177.364 177.584 -0.054 0.000 1.039 362 A CA -0.120 51.857 52.037 -0.101 0.000 0.698 362 A CB 1.709 20.639 19.000 -0.117 0.000 1.261 362 A HN 1.795 nan 8.150 nan 0.000 0.405 363 T N -1.139 113.392 114.554 -0.039 0.000 2.893 363 T HA 0.791 5.141 4.350 -0.001 0.000 0.291 363 T C -0.861 173.835 174.700 -0.007 0.000 1.028 363 T CA -0.738 61.356 62.100 -0.011 0.000 0.995 363 T CB 1.528 70.404 68.868 0.015 0.000 1.051 363 T HN 1.092 nan 8.240 nan 0.000 0.470 364 V N 1.112 121.017 119.914 -0.014 0.000 2.733 364 V HA 0.927 5.047 4.120 -0.001 0.000 0.306 364 V C 0.410 176.484 176.094 -0.033 0.000 1.084 364 V CA -0.144 62.141 62.300 -0.025 0.000 0.905 364 V CB 1.400 33.203 31.823 -0.033 0.000 1.010 364 V HN 1.529 nan 8.190 nan 0.000 0.424 365 G N 3.834 112.602 108.800 -0.053 0.000 2.430 365 G HA2 0.602 4.561 3.960 -0.001 0.000 0.300 365 G HA3 0.602 4.561 3.960 -0.001 0.000 0.300 365 G C -1.355 173.489 174.900 -0.095 0.000 1.330 365 G CA -0.758 44.306 45.100 -0.060 0.000 0.813 365 G HN 0.885 nan 8.290 nan 0.000 0.487 366 R N -1.004 119.445 120.500 -0.084 0.000 2.705 366 R HA 0.754 5.093 4.340 -0.001 0.000 0.246 366 R C 0.105 176.337 176.300 -0.114 0.000 1.142 366 R CA -0.898 55.141 56.100 -0.101 0.000 1.114 366 R CB 0.681 30.940 30.300 -0.067 0.000 1.256 366 R HN 0.296 nan 8.270 nan 0.000 0.536 367 I N 1.870 122.370 120.570 -0.117 0.000 2.775 367 I HA -0.107 4.062 4.170 -0.001 0.000 0.290 367 I C 0.436 176.523 176.117 -0.049 0.000 1.203 367 I CA 0.344 61.584 61.300 -0.101 0.000 1.433 367 I CB -0.237 37.717 38.000 -0.077 0.000 1.354 367 I HN 0.746 nan 8.210 nan 0.000 0.579 368 D N 5.750 126.132 120.400 -0.031 0.000 2.455 368 D HA -0.127 4.513 4.640 -0.001 0.000 0.265 368 D C 0.924 177.235 176.300 0.019 0.000 1.284 368 D CA 0.248 54.246 54.000 -0.002 0.000 0.944 368 D CB 0.461 41.269 40.800 0.015 0.000 1.121 368 D HN 0.371 nan 8.370 nan 0.000 0.525 369 D N 2.748 123.158 120.400 0.016 0.000 2.218 369 D HA -0.173 4.467 4.640 -0.001 0.000 0.204 369 D C 1.478 177.822 176.300 0.074 0.000 0.976 369 D CA 0.811 54.834 54.000 0.038 0.000 0.853 369 D CB 0.414 41.224 40.800 0.016 0.000 0.939 369 D HN 0.475 nan 8.370 nan 0.000 0.481 370 E N 0.253 120.486 120.200 0.055 0.000 2.122 370 E HA -0.033 4.317 4.350 -0.001 0.000 0.190 370 E C 1.899 178.581 176.600 0.136 0.000 0.977 370 E CA 0.817 57.262 56.400 0.076 0.000 0.820 370 E CB -0.027 29.682 29.700 0.015 0.000 0.770 370 E HN 0.308 nan 8.360 nan 0.000 0.462 371 Q N -0.165 119.697 119.800 0.105 0.000 2.167 371 Q HA -0.084 4.255 4.340 -0.001 0.000 0.202 371 Q C 1.926 178.032 176.000 0.178 0.000 0.970 371 Q CA 0.932 56.818 55.803 0.139 0.000 0.855 371 Q CB 0.026 28.819 28.738 0.091 0.000 0.911 371 Q HN 0.324 nan 8.270 nan 0.000 0.438 372 I N 0.081 120.735 120.570 0.140 0.000 2.163 372 I HA -0.242 3.928 4.170 -0.001 0.000 0.240 372 I C 2.183 178.382 176.117 0.137 0.000 1.081 372 I CA 1.337 62.705 61.300 0.114 0.000 1.353 372 I CB -0.962 37.091 38.000 0.088 0.000 1.054 372 I HN 0.169 nan 8.210 nan 0.000 0.407 373 F N 1.038 121.029 119.950 0.068 0.000 2.102 373 F HA -0.316 4.211 4.527 0.000 0.000 0.298 373 F C 2.767 178.627 175.800 0.101 0.000 1.105 373 F CA 1.607 59.647 58.000 0.067 0.000 1.239 373 F CB -0.679 38.358 39.000 0.062 0.000 0.991 373 F HN 0.027 nan 8.300 nan 0.000 0.474 374 Y N 0.819 121.250 120.300 0.218 0.000 2.151 374 Y HA -0.278 4.272 4.550 -0.000 0.000 0.284 374 Y C 2.015 177.916 175.900 0.002 0.000 1.166 374 Y CA 2.009 60.182 58.100 0.123 0.000 1.163 374 Y CB -0.697 37.827 38.460 0.107 0.000 0.974 374 Y HN 0.116 nan 8.280 nan 0.000 0.511 375 L N -0.585 120.642 121.223 0.007 0.000 2.056 375 L HA -0.189 4.151 4.340 -0.001 0.000 0.207 375 L C 2.566 179.335 176.870 -0.170 0.000 1.078 375 L CA 1.438 56.216 54.840 -0.105 0.000 0.749 375 L CB -0.485 41.573 42.059 -0.002 0.000 0.901 375 L HN 0.098 nan 8.230 nan 0.000 0.433 376 R N 0.005 120.390 120.500 -0.192 0.000 2.092 376 R HA -0.104 4.236 4.340 -0.001 0.000 0.231 376 R C 2.410 178.510 176.300 -0.334 0.000 1.119 376 R CA 1.506 57.453 56.100 -0.255 0.000 0.970 376 R CB -0.443 29.677 30.300 -0.300 0.000 0.864 376 R HN 0.424 nan 8.270 nan 0.000 0.440 377 S N 0.351 115.786 115.700 -0.442 0.000 2.595 377 S HA -0.005 4.465 4.470 -0.001 0.000 0.235 377 S C 1.524 175.983 174.600 -0.235 0.000 0.974 377 S CA 0.666 58.645 58.200 -0.367 0.000 0.942 377 S CB 0.112 63.132 63.200 -0.301 0.000 0.766 377 S HN 0.092 nan 8.310 nan 0.000 0.536 378 R N 0.144 120.499 120.500 -0.242 0.000 2.397 378 R HA 0.429 4.769 4.340 -0.001 0.000 0.241 378 R C 1.592 177.806 176.300 -0.143 0.000 0.914 378 R CA 0.473 56.453 56.100 -0.199 0.000 1.071 378 R CB 0.278 30.427 30.300 -0.252 0.000 1.116 378 R HN 0.526 nan 8.270 nan 0.000 0.524 379 G N -0.107 108.610 108.800 -0.138 0.000 2.307 379 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.210 379 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.210 379 G C -0.085 174.761 174.900 -0.090 0.000 1.005 379 G CA -0.354 44.685 45.100 -0.101 0.000 0.634 379 G HN 0.115 nan 8.290 nan 0.000 0.496 380 I N 4.017 124.529 120.570 -0.096 0.000 2.598 380 I HA 0.211 4.380 4.170 -0.001 0.000 0.284 380 I C 1.071 177.145 176.117 -0.073 0.000 1.140 380 I CA -0.866 60.391 61.300 -0.072 0.000 1.420 380 I CB 0.332 38.295 38.000 -0.061 0.000 1.387 380 I HN 0.476 nan 8.210 nan 0.000 0.553 381 N N 6.036 124.704 118.700 -0.053 0.000 2.326 381 N HA -0.059 4.681 4.740 -0.001 0.000 0.239 381 N C 0.667 176.152 175.510 -0.041 0.000 1.301 381 N CA -0.347 52.674 53.050 -0.048 0.000 0.909 381 N CB 0.490 38.958 38.487 -0.033 0.000 1.156 381 N HN 0.760 nan 8.380 nan 0.000 0.462 382 Q N -0.304 119.475 119.800 -0.036 0.000 2.030 382 Q HA -0.266 4.073 4.340 -0.001 0.000 0.204 382 Q C 2.011 178.004 176.000 -0.012 0.000 0.986 382 Q CA 1.606 57.396 55.803 -0.023 0.000 0.843 382 Q CB -0.088 28.641 28.738 -0.016 0.000 0.904 382 Q HN 0.761 nan 8.270 nan 0.000 0.420 383 Q N -0.041 119.752 119.800 -0.011 0.000 2.014 383 Q HA -0.239 4.101 4.340 -0.001 0.000 0.207 383 Q C 1.497 177.499 176.000 0.004 0.000 0.993 383 Q CA 2.154 57.954 55.803 -0.006 0.000 0.850 383 Q CB -0.065 28.670 28.738 -0.005 0.000 0.916 383 Q HN 0.467 nan 8.270 nan 0.000 0.417 384 D N 0.047 120.450 120.400 0.005 0.000 2.133 384 D HA -0.183 4.457 4.640 -0.001 0.000 0.195 384 D C 1.674 177.989 176.300 0.025 0.000 0.997 384 D CA 1.477 55.488 54.000 0.019 0.000 0.840 384 D CB -0.387 40.417 40.800 0.007 0.000 0.947 384 D HN 0.429 nan 8.370 nan 0.000 0.452 385 A N 0.615 123.440 122.820 0.010 0.000 1.877 385 A HA -0.253 4.066 4.320 -0.001 0.000 0.216 385 A C 2.121 179.722 177.584 0.028 0.000 1.186 385 A CA 1.610 53.657 52.037 0.016 0.000 0.620 385 A CB -0.666 18.335 19.000 0.002 0.000 0.822 385 A HN 0.225 nan 8.150 nan 0.000 0.443 386 Q N -0.747 119.060 119.800 0.013 0.000 2.124 386 Q HA -0.204 4.135 4.340 -0.001 0.000 0.202 386 Q C 2.360 178.361 176.000 0.001 0.000 0.977 386 Q CA 1.509 57.312 55.803 0.000 0.000 0.850 386 Q CB -0.203 28.524 28.738 -0.018 0.000 0.901 386 Q HN 0.748 nan 8.270 nan 0.000 0.429 387 Q N 0.094 119.905 119.800 0.018 0.000 2.084 387 Q HA -0.152 4.188 4.340 -0.001 0.000 0.202 387 Q C 2.139 178.220 176.000 0.136 0.000 0.978 387 Q CA 1.242 57.066 55.803 0.035 0.000 0.844 387 Q CB -0.176 28.619 28.738 0.096 0.000 0.898 387 Q HN 0.470 nan 8.270 nan 0.000 0.426 388 M N 0.239 119.926 119.600 0.145 0.000 2.080 388 M HA -0.203 4.277 4.480 -0.001 0.000 0.260 388 M C 2.215 178.609 176.300 0.155 0.000 1.068 388 M CA 1.565 56.965 55.300 0.167 0.000 1.109 388 M CB -0.395 32.265 32.600 0.100 0.000 1.342 388 M HN 0.189 nan 8.290 nan 0.000 0.405 389 I N -0.040 120.590 120.570 0.099 0.000 2.252 389 I HA -0.265 3.905 4.170 -0.001 0.000 0.245 389 I C 2.298 178.475 176.117 0.100 0.000 1.102 389 I CA 0.767 62.122 61.300 0.091 0.000 1.385 389 I CB -0.421 37.608 38.000 0.049 0.000 1.064 389 I HN 0.258 nan 8.210 nan 0.000 0.414 390 I N 0.307 120.896 120.570 0.033 0.000 2.179 390 I HA -0.311 3.859 4.170 -0.001 0.000 0.242 390 I C 2.544 178.699 176.117 0.063 0.000 1.088 390 I CA 2.059 63.353 61.300 -0.010 0.000 1.357 390 I CB -1.350 36.557 38.000 -0.156 0.000 1.051 390 I HN 0.244 nan 8.210 nan 0.000 0.409 391 Y N 1.141 121.498 120.300 0.094 0.000 2.224 391 Y HA -0.208 4.342 4.550 -0.000 0.000 0.289 391 Y C 2.689 178.646 175.900 0.095 0.000 1.146 391 Y CA 1.308 59.458 58.100 0.084 0.000 1.182 391 Y CB -0.264 38.225 38.460 0.048 0.000 0.983 391 Y HN 0.151 nan 8.280 nan 0.000 0.524 392 A N -0.590 122.385 122.820 0.258 0.000 1.969 392 A HA -0.207 4.113 4.320 -0.001 0.000 0.218 392 A C 1.955 179.651 177.584 0.187 0.000 1.169 392 A CA 1.236 53.384 52.037 0.184 0.000 0.635 392 A CB -1.081 18.010 19.000 0.152 0.000 0.810 392 A HN 0.547 nan 8.150 nan 0.000 0.445 393 F N 0.803 120.786 119.950 0.055 0.000 2.146 393 F HA 0.024 4.551 4.527 -0.001 0.000 0.298 393 F C 2.356 178.180 175.800 0.041 0.000 1.096 393 F CA 1.220 59.238 58.000 0.030 0.000 1.275 393 F CB -0.218 38.785 39.000 0.004 0.000 1.008 393 F HN 0.216 nan 8.300 nan 0.000 0.480 394 A N -0.277 122.630 122.820 0.146 0.000 2.169 394 A HA 0.280 4.600 4.320 -0.001 0.000 0.212 394 A C 2.235 179.874 177.584 0.092 0.000 1.153 394 A CA 0.815 52.902 52.037 0.083 0.000 0.756 394 A CB -1.200 17.903 19.000 0.171 0.000 0.813 394 A HN 0.406 nan 8.150 nan 0.000 0.471 395 A N 0.218 123.099 122.820 0.103 0.000 1.978 395 A HA -0.209 4.110 4.320 -0.001 0.000 0.220 395 A C 1.906 179.515 177.584 0.042 0.000 1.170 395 A CA 1.748 53.837 52.037 0.086 0.000 0.636 395 A CB -0.480 18.570 19.000 0.082 0.000 0.810 395 A HN 0.639 nan 8.150 nan 0.000 0.448 396 E N -0.410 119.785 120.200 -0.008 0.000 2.160 396 E HA -0.171 4.179 4.350 -0.001 0.000 0.195 396 E C 1.772 178.376 176.600 0.007 0.000 0.991 396 E CA 1.181 57.566 56.400 -0.025 0.000 0.810 396 E CB -0.133 29.512 29.700 -0.091 0.000 0.742 396 E HN 0.695 nan 8.360 nan 0.000 0.466 397 L N -0.367 120.873 121.223 0.027 0.000 2.200 397 L HA -0.041 4.298 4.340 -0.001 0.000 0.200 397 L C 2.828 179.842 176.870 0.241 0.000 1.072 397 L CA 1.252 56.151 54.840 0.099 0.000 0.787 397 L CB -0.570 41.512 42.059 0.039 0.000 0.957 397 L HN 0.239 nan 8.230 nan 0.000 0.459 398 T N -3.153 111.552 114.554 0.252 0.000 2.788 398 T HA -0.158 4.192 4.350 -0.001 0.000 0.268 398 T C 1.631 176.361 174.700 0.050 0.000 1.044 398 T CA 0.862 63.069 62.100 0.178 0.000 1.139 398 T CB -0.295 68.641 68.868 0.113 0.000 0.867 398 T HN 0.128 nan 8.240 nan 0.000 0.454 399 E N 1.584 121.807 120.200 0.038 0.000 2.463 399 E HA 0.065 4.415 4.350 -0.001 0.000 0.201 399 E C 2.184 178.765 176.600 -0.031 0.000 1.045 399 E CA 0.821 57.219 56.400 -0.003 0.000 0.872 399 E CB -0.507 29.196 29.700 0.005 0.000 0.797 399 E HN 0.776 nan 8.360 nan 0.000 0.538 400 A N 0.303 123.097 122.820 -0.043 0.000 2.167 400 A HA 0.021 4.341 4.320 -0.001 0.000 0.214 400 A C 1.188 178.638 177.584 -0.223 0.000 1.151 400 A CA 0.067 52.013 52.037 -0.152 0.000 0.735 400 A CB -0.098 18.728 19.000 -0.290 0.000 0.802 400 A HN 0.111 nan 8.150 nan 0.000 0.467 401 L N 0.935 122.069 121.223 -0.148 0.000 2.302 401 L HA 0.238 4.578 4.340 -0.001 0.000 0.285 401 L C 1.142 177.948 176.870 -0.107 0.000 1.090 401 L CA -0.892 53.862 54.840 -0.143 0.000 0.866 401 L CB 0.580 42.544 42.059 -0.158 0.000 1.244 401 L HN 0.178 nan 8.230 nan 0.000 0.435 402 R N 0.604 121.044 120.500 -0.100 0.000 2.115 402 R HA -0.078 4.261 4.340 -0.001 0.000 0.230 402 R C 0.563 176.823 176.300 -0.067 0.000 1.111 402 R CA 0.605 56.659 56.100 -0.077 0.000 0.976 402 R CB -0.320 29.935 30.300 -0.074 0.000 0.870 402 R HN 0.602 nan 8.270 nan 0.000 0.445 403 D N 1.702 122.060 120.400 -0.070 0.000 2.348 403 D HA -0.062 4.577 4.640 -0.001 0.000 0.259 403 D C 0.908 177.166 176.300 -0.069 0.000 1.296 403 D CA 0.137 54.099 54.000 -0.063 0.000 0.931 403 D CB 0.941 41.703 40.800 -0.062 0.000 1.067 403 D HN -0.020 nan 8.370 nan 0.000 0.503 404 E N 3.074 123.237 120.200 -0.060 0.000 2.114 404 E HA -0.176 4.173 4.350 -0.001 0.000 0.199 404 E C 1.933 178.494 176.600 -0.064 0.000 1.008 404 E CA 1.912 58.276 56.400 -0.061 0.000 0.810 404 E CB -0.483 29.187 29.700 -0.051 0.000 0.739 404 E HN 0.666 nan 8.360 nan 0.000 0.456 405 G N 0.288 109.053 108.800 -0.058 0.000 2.418 405 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.217 405 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.217 405 G C 1.516 176.375 174.900 -0.069 0.000 1.158 405 G CA 0.926 45.993 45.100 -0.056 0.000 0.771 405 G HN 0.352 nan 8.290 nan 0.000 0.545 406 L N 0.649 121.823 121.223 -0.082 0.000 2.056 406 L HA 0.154 4.493 4.340 -0.001 0.000 0.207 406 L C 2.653 179.449 176.870 -0.123 0.000 1.078 406 L CA 2.323 57.099 54.840 -0.106 0.000 0.749 406 L CB -0.558 41.431 42.059 -0.116 0.000 0.901 406 L HN 0.241 nan 8.230 nan 0.000 0.433 407 K N -1.212 119.115 120.400 -0.122 0.000 2.063 407 K HA -0.223 4.096 4.320 -0.001 0.000 0.208 407 K C 2.103 178.637 176.600 -0.109 0.000 1.048 407 K CA 1.573 57.778 56.287 -0.136 0.000 0.928 407 K CB -0.060 32.375 32.500 -0.109 0.000 0.713 407 K HN 0.364 nan 8.250 nan 0.000 0.442 408 Q N 0.591 120.340 119.800 -0.085 0.000 2.124 408 Q HA -0.191 4.148 4.340 -0.001 0.000 0.202 408 Q C 2.044 178.013 176.000 -0.052 0.000 0.977 408 Q CA 1.595 57.356 55.803 -0.070 0.000 0.850 408 Q CB -0.135 28.566 28.738 -0.062 0.000 0.901 408 Q HN 0.531 nan 8.270 nan 0.000 0.429 409 Q N -0.364 119.409 119.800 -0.046 0.000 2.167 409 Q HA -0.066 4.273 4.340 -0.001 0.000 0.202 409 Q C 2.190 178.198 176.000 0.013 0.000 0.970 409 Q CA 1.085 56.882 55.803 -0.010 0.000 0.855 409 Q CB 0.127 28.861 28.738 -0.007 0.000 0.911 409 Q HN 0.149 nan 8.270 nan 0.000 0.438 410 V N 0.885 120.780 119.914 -0.032 0.000 2.379 410 V HA -0.220 3.900 4.120 -0.001 0.000 0.245 410 V C 2.091 178.156 176.094 -0.048 0.000 1.044 410 V CA 1.356 63.628 62.300 -0.047 0.000 1.036 410 V CB -0.403 31.240 31.823 -0.300 0.000 0.664 410 V HN 0.340 nan 8.190 nan 0.000 0.453 411 L N 0.212 121.419 121.223 -0.027 0.000 2.083 411 L HA -0.138 4.201 4.340 -0.001 0.000 0.209 411 L C 2.712 179.634 176.870 0.087 0.000 1.083 411 L CA 1.495 56.377 54.840 0.069 0.000 0.752 411 L CB -0.757 41.297 42.059 -0.008 0.000 0.899 411 L HN 0.358 nan 8.230 nan 0.000 0.433 412 A N 0.132 122.961 122.820 0.015 0.000 1.930 412 A HA -0.237 4.083 4.320 -0.001 0.000 0.217 412 A C 2.347 179.913 177.584 -0.031 0.000 1.175 412 A CA 1.720 53.763 52.037 0.010 0.000 0.627 412 A CB -0.436 18.561 19.000 -0.005 0.000 0.815 412 A HN 0.288 nan 8.150 nan 0.000 0.443 413 R N 0.233 120.667 120.500 -0.111 0.000 2.075 413 R HA 0.010 4.350 4.340 -0.001 0.000 0.232 413 R C 1.731 177.916 176.300 -0.191 0.000 1.126 413 R CA 1.674 57.609 56.100 -0.275 0.000 0.963 413 R CB -0.709 29.159 30.300 -0.719 0.000 0.858 413 R HN 0.546 nan 8.270 nan 0.000 0.435 414 I N -0.187 120.329 120.570 -0.090 0.000 2.226 414 I HA -0.165 4.004 4.170 -0.001 0.000 0.245 414 I C 2.238 178.330 176.117 -0.042 0.000 1.100 414 I CA 1.569 62.847 61.300 -0.036 0.000 1.374 414 I CB -0.659 37.378 38.000 0.061 0.000 1.057 414 I HN 0.437 nan 8.210 nan 0.000 0.413 415 G N -0.044 108.783 108.800 0.046 0.000 2.462 415 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.220 415 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.220 415 G C 1.521 176.418 174.900 -0.004 0.000 1.121 415 G CA 0.351 45.489 45.100 0.063 0.000 0.758 415 G HN 0.444 nan 8.290 nan 0.000 0.559 416 Q N -0.431 119.351 119.800 -0.030 0.000 2.364 416 Q HA 0.007 4.347 4.340 -0.001 0.000 0.209 416 Q C 2.234 178.207 176.000 -0.044 0.000 0.977 416 Q CA 0.621 56.401 55.803 -0.038 0.000 0.885 416 Q CB 0.006 28.710 28.738 -0.057 0.000 0.941 416 Q HN 0.410 nan 8.270 nan 0.000 0.464 417 R N -0.533 119.932 120.500 -0.059 0.000 2.362 417 R HA 0.145 4.484 4.340 -0.001 0.000 0.227 417 R C -0.438 175.822 176.300 -0.067 0.000 0.905 417 R CA -0.243 55.822 56.100 -0.059 0.000 1.067 417 R CB 0.489 30.752 30.300 -0.063 0.000 1.078 417 R HN 0.007 nan 8.270 nan 0.000 0.516 418 L N 0.371 121.550 121.223 -0.073 0.000 2.379 418 L HA 0.265 4.604 4.340 -0.001 0.000 0.269 418 L C -1.405 175.437 176.870 -0.047 0.000 1.084 418 L CA -2.220 52.571 54.840 -0.082 0.000 0.802 418 L CB 0.788 42.780 42.059 -0.112 0.000 1.175 418 L HN -0.220 nan 8.230 nan 0.000 0.448 419 P HA -0.195 nan 4.420 nan 0.000 0.216 419 P C 1.348 178.639 177.300 -0.016 0.000 1.167 419 P CA 1.822 64.905 63.100 -0.028 0.000 0.914 419 P CB 0.141 31.824 31.700 -0.028 0.000 0.793 420 G N -2.084 106.710 108.800 -0.009 0.000 2.422 420 G HA2 0.026 3.985 3.960 -0.001 0.000 0.218 420 G HA3 0.026 3.985 3.960 -0.001 0.000 0.218 420 G C 1.181 176.083 174.900 0.003 0.000 1.146 420 G CA 1.126 46.227 45.100 0.001 0.000 0.769 420 G HN 0.560 nan 8.290 nan 0.000 0.547 421 G N -2.106 106.695 108.800 0.000 0.000 2.184 421 G HA2 0.300 4.259 3.960 -0.001 0.000 0.206 421 G HA3 0.300 4.259 3.960 -0.001 0.000 0.206 421 G C 0.200 175.109 174.900 0.015 0.000 0.995 421 G CA 0.713 45.813 45.100 0.001 0.000 0.651 421 G HN 1.590 nan 8.290 nan 0.000 0.511 422 A N 0.000 122.842 122.820 0.037 0.000 2.254 422 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 422 A CA 0.000 52.080 52.037 0.071 0.000 0.836 422 A CB 0.000 19.030 19.000 0.051 0.000 0.831 422 A HN 0.000 nan 8.150 nan 0.000 0.486